diff --git a/openfe_benchmarks/data/benchmark_system_indexing.yml b/openfe_benchmarks/data/benchmark_system_indexing.yml index a678e4a..8ccb437 100644 --- a/openfe_benchmarks/data/benchmark_system_indexing.yml +++ b/openfe_benchmarks/data/benchmark_system_indexing.yml @@ -3,70 +3,73 @@ # This file provides tags for benchmark systems based on the files available, e.g., protein or cofactor. # Other tags indicate experimental data present, labeled as exp_bfe and exp_sfe appropriately. +bayer_macrocycles: + brd4: ["protein","bfe", "ross"] + ftase: ["protein", "cofactor", "bfe", "ross"] charge_annihilation_set: - cdk2: ["protein","bfe", "ross"] - dlk: ["protein", "bfe", "ross"] - egfr: ["protein", "bfe", "ross"] - ephx2: ["protein", "bfe", "ross"] - irak4_s2: ["protein", "bfe", "ross"] - irak4_s3: ["protein", "bfe", "ross"] - itk: ["protein", "bfe", "ross"] - jak1: ["protein", "bfe", "ross"] - jnk1: ["protein", "bfe", "ross"] - ptp1b: ["protein", "bfe", "ross"] - thrombin: ["protein", "cofactor", "bfe", "ross"] - tyk2: ["protein", "bfe", "ross"] + cdk2: ["protein","bfe", "ross", "industry_benchmark"] + dlk: ["protein", "bfe", "ross", "industry_benchmark"] + egfr: ["protein", "bfe", "ross", "industry_benchmark"] + ephx2: ["protein", "bfe", "ross", "industry_benchmark"] + irak4_s2: ["protein", "bfe", "ross", "industry_benchmark"] + irak4_s3: ["protein", "bfe", "ross", "industry_benchmark"] + itk: ["protein", "bfe", "ross", "industry_benchmark"] + jak1: ["protein", "bfe", "ross", "industry_benchmark"] + jnk1: ["protein", "bfe", "ross", "industry_benchmark"] + ptp1b: ["protein", "bfe", "ross", "industry_benchmark"] + thrombin: ["protein", "cofactor", "bfe", "ross", "industry_benchmark"] + tyk2: ["protein", "bfe", "ross", "industry_benchmark"] fragments: - hsp90_2rings: ["protein", "bfe", "ross"] - hsp90_single_ring: ["protein", "bfe", "ross"] - jak2_set1: ["protein", "bfe", "ross"] - jak2_set2: ["protein", "bfe", "ross"] - liga: ["protein", "bfe", "ross"] - mcl1: ["protein", "bfe", "ross"] - mup1: ["protein", "bfe", "ross"] - p38: ["protein", "bfe", "ross"] - t4_lysozyme: ["protein", "bfe", "ross"] + hsp90_2rings: ["protein", "bfe", "ross", "industry_benchmark"] + hsp90_single_ring: ["protein", "bfe", "ross", "industry_benchmark"] + jak2_set1: ["protein", "bfe", "ross", "industry_benchmark"] + jak2_set2: ["protein", "bfe", "ross", "industry_benchmark"] + liga: ["protein", "bfe", "ross", "industry_benchmark"] + mcl1: ["protein", "bfe", "ross", "industry_benchmark"] + mup1: ["protein", "bfe", "ross", "industry_benchmark"] + p38: ["protein", "bfe", "ross", "industry_benchmark"] + t4_lysozyme: ["protein", "bfe", "ross", "industry_benchmark"] jacs_set: - bace: ["protein", "bfe", "ross"] - cdk2: ["protein", "bfe", "ross"] - jnk1: ["protein", "bfe", "ross"] - mcl1: ["protein", "bfe", "ross"] - p38: ["protein", "bfe", "ross"] - ptp1b: ["protein", "bfe", "ross"] - thrombin: ["protein", "bfe", "ross"] - tyk2: ["protein", "bfe", "ross"] + bace: ["protein", "bfe", "ross", "industry_benchmark"] + cdk2: ["protein", "bfe", "ross", "industry_benchmark"] + jnk1: ["protein", "bfe", "ross", "industry_benchmark"] + mcl1: ["protein", "bfe", "ross", "industry_benchmark"] + p38: ["protein", "bfe", "ross", "industry_benchmark"] + ptp1b: ["protein", "bfe", "ross", "industry_benchmark"] + thrombin: ["protein", "bfe", "ross", "industry_benchmark"] + tyk2: ["protein", "bfe", "ross", "industry_benchmark"] janssen_bace: - bace_ciordia_prospective: ["protein", "bfe", "ross"] - bace_p3_arg368_in: ["protein", "bfe", "ross"] - ciordia_retro: ["protein", "bfe", "ross"] - keranen_p2: ["protein", "bfe", "ross"] + bace_ciordia_prospective: ["protein", "bfe", "ross", "industry_benchmark"] + bace_p3_arg368_in: ["protein", "bfe", "ross", "industry_benchmark"] + ciordia_retro: ["protein", "bfe", "ross", "industry_benchmark"] + keranen_p2: ["protein", "bfe", "ross", "industry_benchmark"] mcs_docking_set: - hne: ["protein", "cofactor", "bfe", "ross"] - renin: ["protein", "bfe", "ross"] + hne: ["protein", "cofactor", "bfe", "ross", "industry_benchmark"] + renin: ["protein", "bfe", "ross", "industry_benchmark"] merck: - cdk8: ["protein", "bfe", "ross"] - cmet: ["protein", "bfe", "ross"] - eg5: ["protein", "bfe", "ross"] - hif2a: ["protein", "bfe", "ross"] - pfkfb3: ["protein", "cofactor", "bfe", "ross"] - shp2: ["protein", "bfe", "ross"] - syk: ["protein", "bfe", "ross"] - tnks2: ["protein", "cofactor", "bfe", "ross"] + cdk8: ["protein", "bfe", "ross", "industry_benchmark"] + cmet: ["protein", "bfe", "ross", "industry_benchmark"] + eg5: ["protein", "bfe", "ross", "industry_benchmark"] + hif2a: ["protein", "bfe", "ross", "industry_benchmark"] + pfkfb3: ["protein", "cofactor", "bfe", "ross", "industry_benchmark"] + shp2: ["protein", "bfe", "ross", "industry_benchmark"] + syk: ["protein", "bfe", "ross", "industry_benchmark"] + tnks2: ["protein", "cofactor", "bfe", "ross", "industry_benchmark"] miscellaneous_set: - btk: ["protein", "bfe", "ross"] - cdk8: ["protein", "bfe", "ross"] - faah: ["protein", "bfe", "ross"] - galectin: ["protein", "bfe", "ross"] - hiv1_protease: ["protein", "bfe", "ross"] + btk: ["protein", "bfe", "ross", "industry_benchmark"] + cdk8: ["protein", "bfe", "ross", "industry_benchmark"] + faah: ["protein", "bfe", "ross", "industry_benchmark"] + galectin: ["protein", "bfe", "ross", "industry_benchmark"] + hiv1_protease: ["protein", "bfe", "ross", "industry_benchmark"] water_set: - brd4: ["protein", "bfe", "ross"] + brd4: ["protein", "bfe", "ross", "industry_benchmark"] chk1: ["protein", "bfe", "ross"] - hsp90_kung: ["protein", "bfe", "ross"] - hsp90_woodhead: ["protein", "cofactor", "bfe", "ross"] - scyt_dehyd: ["protein", "bfe", "ross"] - taf12: ["protein", "bfe", "ross"] - thrombin: ["protein", "bfe", "ross"] - urokinase: ["protein", "bfe", "ross"] + hsp90_kung: ["protein", "bfe", "ross", "industry_benchmark"] + hsp90_woodhead: ["protein", "cofactor", "bfe", "ross", "industry_benchmark"] + scyt_dehyd: ["protein", "bfe", "ross", "industry_benchmark"] + taf12: ["protein", "bfe", "ross", "industry_benchmark"] + thrombin: ["protein", "bfe", "ross", "industry_benchmark"] + urokinase: ["protein", "bfe", "ross", "industry_benchmark"] scaffold_hopping: bace_baumann: ["protein", "bfe"] solvation_set: diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/PREPARATION_DETAILS.md b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/PREPARATION_DETAILS.md new file mode 100644 index 0000000..5242f1a --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/PREPARATION_DETAILS.md @@ -0,0 +1,27 @@ +# Preperation of systems + +Done by J. Bluck + +
    +
  1. Read in original inputs from the repo +
  2. Duplicate the input, to ensure there is a reference to comapre to +
  3. Check the sequence to see if it contains any non-natural amino acids +
  4. Check all caps to see if any need to be charged or not. +
  5. Open the Protein preparation wizard (Schrodinger 2024-2) +
  6. Run only step 3 - "Preprocess". The only three options activated are: + +
  7. Convert SER back to a charged terminus, to reflect the Schrodinger input +
  8. Change the cap names if not NME: + +
  9. Export outputs, named "ligand.sdf", "protein.pdb" and optionally "cofactors.sdf" +
  10. Run input through validation script +
  11. Scrub files of sensitive information +
diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/experimental_binding_data.json b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/experimental_binding_data.json new file mode 100644 index 0000000..7637d47 --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/experimental_binding_data.json @@ -0,0 +1,35 @@ +{ + "61a": { + "dg": { + "magnitude": -12.0, + "unit": "kilocalories_per_mole", + ":is_custom:": true, + "pint_unit_registry": "openff_units" + }, + "canonical_smiles": "[H]c1c(c2c(c(c1N([H])S(=O)(=O)C([H])([H])C([H])([H])[H])[H])C3=C(N(C(=O)C(=C3OC(C(C(C(c4c(c(c(c(c4O2)F)[H])F)[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])C([H])([H])[H])[H])[H]", + "inchikey": "BYFSQAHWOPJWRA-UHFFFAOYNA-N", + "reference": "https://doi.org/10.1038/s42004-023-01019-9" + }, + "25e": { + "dg": { + "magnitude": -11.300000190734863, + "unit": "kilocalories_per_mole", + ":is_custom:": true, + "pint_unit_registry": "openff_units" + }, + "canonical_smiles": "[H]c1c(c(c(c(c1N([H])S(=O)(=O)C([H])([H])C([H])([H])[H])[H])C2=C(N(C(=O)C(=C2OC([H])([H])C([H])([H])[H])[H])C([H])([H])[H])[H])Oc3c(c(c(c(c3F)[H])F)[H])[H])[H]", + "inchikey": "GLXOAGUUYVCIFE-UHFFFAOYNA-N", + "reference": "https://doi.org/10.1038/s42004-023-01019-9" + }, + "11": { + "dg": { + "magnitude": -8.199999809265137, + "unit": "kilocalories_per_mole", + ":is_custom:": true, + "pint_unit_registry": "openff_units" + }, + "canonical_smiles": "[H]c1c(c(c(c(c1[H])[H])Oc2c(c(c(c(c2C3=NN(C(=O)C(=C3OC([H])([H])[H])[H])C([H])([H])[H])[H])[H])[H])[H])[H])[H]", + "inchikey": "MDTCYTNEBYQKFC-UHFFFAOYNA-N", + "reference": "https://doi.org/10.1038/s42004-023-01019-9" + } +} \ No newline at end of file diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/ligands.sdf b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/ligands.sdf new file mode 100644 index 0000000..904a1c5 --- /dev/null +++ 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-@B>\\u00e8\\u00d9\\u00acZ%@\\u00ec\\u00c09#J\\u001b.@\\u0000o\\u0081\\u0004\\u00c5o.@c\\u007f\\u00d9=yx#@\\u00b5\\u0015\\u00fb\\u00cb\\u00eei0@\\u00f5\\u00db\\u00d7\\u0081s&,@q=\\n\\u00d7\\u00a3\\u0010)@\\u00ef\\u00c9\\u00c3B\\u00ad\\u00f99@l\\t\\u00f9\\u00a0g\\u00b3!@,\\u00d4\\u009a\\u00e6\\u001d\\u0007-@\\u00c6\\u00dc\\u00b5\\u0084|\\u00802@\\u00d6\\u00c5m4\\u0080\\u0017,@\\u009d\\u0080&\\u00c2\\u0086\\u00a7$@\\u0017HP\\u00fc\\u0018\\u00e38@n4\\u0080\\u00b7@\\u00a2$@\\u00d5\\th\\\"l8)@\\u00d74\\u00ef8E\\u00076@G\\u0003x\\u000b$\\b.@\\u0010z6\\u00ab>G0@\\u00e36\\u001a\\u00c0[\\u00804@j\\u00bct\\u0093\\u0018\\u00c4/@\\u0096!\\u008euq{-@/n\\u00a3\\u0001\\u00bcE4@\\nh\\\"lxZ/@\\u009d\\u0011\\u00a5\\u00bd\\u00c1\\u00b7/@\\u0081\\u0004\\u00c5\\u008f1\\u00e72@\", {}], \"molprops\": {\"b_m_subgroup_collapsed\": 0, \"i_m_Source_File_Index\": 3, \"ofe-name\": 11, \"r_exp_dg\": -8.2, \"s_m_Source_File\": \"wagner_brd4_ligands.sdf\", \"s_m_Source_Path\": \"path\\\\input_structures\\\\original_structures\\\\bayer_macrocycles\", \"s_m_entry_id\": 9, \"s_m_entry_name\": \"wagner_brd4_ligands.3\", \"s_m_subgroup_title\": \"Bayer_macrocycles->BRD4->wagner_brd4_ligands\", \"s_m_subgroupid\": \"Bayer_macrocycles->BRD4->wagner_brd4_ligands\"}}\n \n \n [[38, 28], [47, 31], [12, 6], [13, 18], [14, 15], [15, 7], [16, 16], [19, 8], [22, 19], [24, 20], [28, 22]]\n {\"score\": 0.01576441648485449}\n \n \n [[36, 38], [44, 51], [46, 32], [47, 33], [48, 36], [49, 39], [54, 47], [55, 46], [2, 6], [4, 7], [6, 12], [7, 14], [8, 16], [12, 21], [13, 0], [14, 1], [15, 4], [16, 8], [19, 13], [20, 15], [23, 19], [24, 22], [25, 23], [26, 24], [27, 25], [28, 26], [33, 31]]\n {\"score\": 0.03337326996032607}\n \n \n [[6, 6], [7, 15], [8, 16], [19, 18], [20, 7], [24, 19], [26, 20]]\n {\"score\": 0.0004748150999411476}\n \n \n", "__qualname__": "LigandNetwork", "__module__": "gufe.ligandnetwork", ":version:": 1}]] \ No newline at end of file diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/protein.pdb b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/protein.pdb new file mode 100644 index 0000000..45c8c72 --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/brd4/protein.pdb @@ -0,0 +1,2341 @@ +TITLE 5UEX - hbond-opt, no lig +REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +ATOM 1 N SER A 349 19.561 -16.549 -2.236 1.00 70.92 N1+ +ATOM 2 CA SER A 349 18.909 -15.567 -3.100 1.00 70.67 C +ATOM 3 C SER A 349 18.478 -14.315 -2.325 1.00 74.28 C +ATOM 4 O SER A 349 18.338 -14.366 -1.101 1.00 73.89 O +ATOM 5 CB SER A 349 17.710 -16.192 -3.809 1.00 74.24 C +ATOM 6 OG SER A 349 16.701 -16.589 -2.894 1.00 83.00 O +ATOM 7 H2 SER A 349 20.512 -16.834 -2.423 1.00 70.92 H +ATOM 8 HA SER A 349 19.627 -15.260 -3.861 1.00 70.67 H +ATOM 9 HB3 SER A 349 18.039 -17.058 -4.384 1.00 74.24 H +ATOM 10 HB2 SER A 349 17.295 -15.476 -4.519 1.00 74.24 H +ATOM 11 HG SER A 349 17.059 -17.237 -2.283 1.00 83.00 H +ATOM 12 H1 SER A 349 19.594 -16.196 -1.290 1.00 0.00 H +ATOM 13 H3 SER A 349 18.988 -17.380 -2.232 1.00 0.00 H +ATOM 14 N HIS A 350 18.257 -13.197 -3.051 1.00 70.55 N +ATOM 15 CA HIS A 350 17.817 -11.918 -2.482 1.00 70.20 C +ATOM 16 C HIS A 350 16.371 -11.993 -1.978 1.00 73.11 C +ATOM 17 O HIS A 350 16.005 -11.246 -1.069 1.00 72.63 O +ATOM 18 CB HIS A 350 17.972 -10.775 -3.500 1.00 71.09 C +ATOM 19 CG HIS A 350 19.361 -10.604 -4.037 1.00 74.58 C +ATOM 20 ND1 HIS A 350 20.539 -10.486 -3.379 1.00 76.39 N +ATOM 21 CD2 HIS A 350 19.603 -10.546 -5.398 1.00 76.38 C +ATOM 22 CE1 HIS A 350 21.516 -10.350 -4.336 1.00 75.83 C +ATOM 23 NE2 HIS A 350 20.911 -10.391 -5.523 1.00 76.16 N +ATOM 24 H HIS A 350 18.394 -13.209 -4.052 1.00 70.55 H +ATOM 25 HA HIS A 350 18.457 -11.694 -1.629 1.00 70.20 H +ATOM 26 HB3 HIS A 350 17.643 -9.840 -3.046 1.00 71.09 H +ATOM 27 HB2 HIS A 350 17.282 -10.933 -4.328 1.00 71.09 H +ATOM 28 HD1 HIS A 350 20.559 -10.511 -2.299 1.00 76.39 H +ATOM 29 HD2 HIS A 350 18.836 -10.621 -6.051 1.00 76.38 H +ATOM 30 HE1 HIS A 350 22.482 -10.245 -4.060 1.00 75.83 H +ATOM 31 N MET A 351 15.559 -12.897 -2.572 1.00 68.92 N +ATOM 32 CA MET A 351 14.157 -13.153 -2.224 1.00 68.34 C +ATOM 33 C MET A 351 14.052 -13.641 -0.769 1.00 70.56 C +ATOM 34 O MET A 351 13.197 -13.157 -0.025 1.00 70.08 O +ATOM 35 CB MET A 351 13.553 -14.181 -3.206 1.00 70.80 C +ATOM 36 CG MET A 351 12.038 -14.328 -3.116 1.00 74.60 C +ATOM 37 SD MET A 351 11.482 -15.669 -2.023 1.00 78.96 S +ATOM 38 CE MET A 351 11.843 -17.106 -3.039 1.00 75.63 C +ATOM 39 H MET A 351 15.908 -13.469 -3.328 1.00 68.92 H +ATOM 40 HA MET A 351 13.602 -12.219 -2.316 1.00 68.34 H +ATOM 41 HB3 MET A 351 14.020 -15.152 -3.044 1.00 70.80 H +ATOM 42 HB2 MET A 351 13.830 -13.912 -4.225 1.00 70.80 H +ATOM 43 HG3 MET A 351 11.630 -14.484 -4.115 1.00 74.60 H +ATOM 44 HG2 MET A 351 11.603 -13.386 -2.782 1.00 74.60 H +ATOM 45 HE1 MET A 351 11.556 -18.011 -2.504 1.00 75.63 H +ATOM 46 HE2 MET A 351 11.282 -17.043 -3.971 1.00 75.63 H +ATOM 47 HE3 MET A 351 12.910 -17.137 -3.259 1.00 75.63 H +ATOM 48 N GLU A 352 14.932 -14.582 -0.370 1.00 65.88 N +ATOM 49 CA GLU A 352 14.973 -15.137 0.986 1.00 65.10 C +ATOM 50 C GLU A 352 15.596 -14.152 1.981 1.00 67.39 C +ATOM 51 O GLU A 352 15.248 -14.184 3.163 1.00 66.88 O +ATOM 52 CB GLU A 352 15.705 -16.490 1.017 1.00 66.48 C +ATOM 53 CG GLU A 352 15.001 -17.614 0.262 1.00 77.26 C +ATOM 54 CD GLU A 352 13.681 -18.134 0.808 1.00 98.07 C +ATOM 55 OE1 GLU A 352 13.412 -17.964 2.020 1.00 90.42 O +ATOM 56 OE2 GLU A 352 12.928 -18.750 0.021 1.00 92.85 O1- +ATOM 57 H GLU A 352 15.614 -14.944 -1.021 1.00 65.88 H +ATOM 58 HA GLU A 352 13.944 -15.313 1.300 1.00 65.10 H +ATOM 59 HB3 GLU A 352 15.860 -16.793 2.053 1.00 66.48 H +ATOM 60 HB2 GLU A 352 16.712 -16.364 0.620 1.00 66.48 H +ATOM 61 HG3 GLU A 352 15.691 -18.449 0.141 1.00 77.26 H +ATOM 62 HG2 GLU A 352 14.864 -17.314 -0.777 1.00 77.26 H +ATOM 63 N GLN A 353 16.506 -13.277 1.497 1.00 62.77 N +ATOM 64 CA GLN A 353 17.180 -12.245 2.292 1.00 61.99 C +ATOM 65 C GLN A 353 16.185 -11.185 2.775 1.00 64.43 C +ATOM 66 O GLN A 353 16.201 -10.834 3.955 1.00 63.92 O +ATOM 67 CB GLN A 353 18.311 -11.586 1.486 1.00 63.33 C +ATOM 68 CG GLN A 353 19.630 -12.348 1.536 1.00 79.73 C +ATOM 69 CD GLN A 353 20.687 -11.749 0.636 1.00100.35 C +ATOM 70 OE1 GLN A 353 20.968 -10.543 0.663 1.00 96.09 O +ATOM 71 NE2 GLN A 353 21.326 -12.591 -0.160 1.00 93.01 N +ATOM 72 H GLN A 353 16.766 -13.306 0.521 1.00 62.77 H +ATOM 73 HA GLN A 353 17.620 -12.723 3.167 1.00 61.99 H +ATOM 74 HB3 GLN A 353 18.467 -10.569 1.847 1.00 63.33 H +ATOM 75 HB2 GLN A 353 17.997 -11.474 0.448 1.00 63.33 H +ATOM 76 HG3 GLN A 353 19.459 -13.387 1.253 1.00 79.73 H +ATOM 77 HG2 GLN A 353 19.997 -12.369 2.562 1.00 79.73 H +ATOM 78 HE22 GLN A 353 22.043 -12.250 -0.784 1.00 93.01 H +ATOM 79 HE21 GLN A 353 21.097 -13.574 -0.143 1.00 93.01 H +ATOM 80 N LEU A 354 15.304 -10.705 1.866 1.00 59.94 N +ATOM 81 CA LEU A 354 14.277 -9.694 2.144 1.00 59.16 C +ATOM 82 C LEU A 354 13.196 -10.186 3.111 1.00 61.72 C +ATOM 83 O LEU A 354 12.597 -9.369 3.814 1.00 61.33 O +ATOM 84 CB LEU A 354 13.652 -9.158 0.842 1.00 59.15 C +ATOM 85 CG LEU A 354 14.568 -8.323 -0.064 1.00 63.78 C +ATOM 86 CD1 LEU A 354 14.052 -8.301 -1.486 1.00 63.95 C +ATOM 87 CD2 LEU A 354 14.745 -6.904 0.464 1.00 66.12 C +ATOM 88 H LEU A 354 15.324 -11.044 0.915 1.00 59.94 H +ATOM 89 HA LEU A 354 14.778 -8.855 2.626 1.00 59.16 H +ATOM 90 HB3 LEU A 354 12.761 -8.579 1.083 1.00 59.15 H +ATOM 91 HB2 LEU A 354 13.244 -9.991 0.270 1.00 59.15 H +ATOM 92 HG LEU A 354 15.549 -8.799 -0.074 1.00 63.78 H +ATOM 93 HD11 LEU A 354 14.720 -7.703 -2.106 1.00 63.95 H +ATOM 94 HD12 LEU A 354 14.011 -9.319 -1.874 1.00 63.95 H +ATOM 95 HD13 LEU A 354 13.053 -7.866 -1.504 1.00 63.95 H +ATOM 96 HD21 LEU A 354 15.400 -6.346 -0.205 1.00 66.12 H +ATOM 97 HD22 LEU A 354 13.774 -6.411 0.516 1.00 66.12 H +ATOM 98 HD23 LEU A 354 15.188 -6.939 1.459 1.00 66.12 H +ATOM 99 N LYS A 355 12.956 -11.515 3.154 1.00 57.17 N +ATOM 100 CA LYS A 355 11.996 -12.153 4.060 1.00 56.40 C +ATOM 101 C LYS A 355 12.518 -12.079 5.498 1.00 58.75 C +ATOM 102 O LYS A 355 11.731 -11.894 6.428 1.00 58.18 O +ATOM 103 CB LYS A 355 11.742 -13.602 3.656 1.00 0.00 C +ATOM 104 CG LYS A 355 10.655 -14.284 4.493 1.00 0.00 C +ATOM 105 CD LYS A 355 10.429 -15.763 4.158 1.00 0.00 C +ATOM 106 CE LYS A 355 9.775 -16.033 2.796 1.00 0.00 C +ATOM 107 NZ LYS A 355 9.516 -17.463 2.554 1.00 0.00 N1+ +ATOM 108 H LYS A 355 13.454 -12.138 2.535 1.00 57.17 H +ATOM 109 HA LYS A 355 11.054 -11.608 4.005 1.00 56.40 H +ATOM 110 HB2 LYS A 355 11.424 -13.639 2.614 1.00 0.00 H +ATOM 111 HB3 LYS A 355 12.659 -14.180 3.776 1.00 0.00 H +ATOM 112 HG2 LYS A 355 10.926 -14.236 5.548 1.00 0.00 H +ATOM 113 HG3 LYS A 355 9.704 -13.775 4.339 1.00 0.00 H +ATOM 114 HD2 LYS A 355 11.386 -16.285 4.151 1.00 0.00 H +ATOM 115 HD3 LYS A 355 9.777 -16.211 4.908 1.00 0.00 H +ATOM 116 HE2 LYS A 355 8.820 -15.510 2.741 1.00 0.00 H +ATOM 117 HE3 LYS A 355 10.430 -15.676 2.001 1.00 0.00 H +ATOM 118 HZ1 LYS A 355 10.389 -17.936 2.366 1.00 0.00 H +ATOM 119 HZ2 LYS A 355 9.082 -17.870 3.370 1.00 0.00 H +ATOM 120 HZ3 LYS A 355 8.901 -17.565 1.759 1.00 0.00 H +ATOM 121 N CYS A 356 13.853 -12.206 5.668 1.00 54.30 N +ATOM 122 CA CYS A 356 14.546 -12.115 6.955 1.00 53.60 C +ATOM 123 C CYS A 356 14.542 -10.668 7.449 1.00 54.89 C +ATOM 124 O CYS A 356 14.461 -10.439 8.654 1.00 54.37 O +ATOM 125 CB CYS A 356 15.964 -12.668 6.852 1.00 54.16 C +ATOM 126 SG CYS A 356 16.044 -14.437 6.464 1.00 58.20 S +ATOM 127 H CYS A 356 14.450 -12.377 4.871 1.00 54.30 H +ATOM 128 HA CYS A 356 13.999 -12.720 7.677 1.00 53.60 H +ATOM 129 HB3 CYS A 356 16.494 -12.478 7.785 1.00 54.16 H +ATOM 130 HB2 CYS A 356 16.517 -12.107 6.098 1.00 54.16 H +ATOM 131 HG CYS A 356 15.760 -14.623 5.172 1.00 58.20 H +ATOM 132 N CYS A 357 14.605 -9.698 6.508 1.00 49.58 N +ATOM 133 CA CYS A 357 14.570 -8.257 6.777 1.00 48.46 C +ATOM 134 C CYS A 357 13.236 -7.848 7.399 1.00 50.21 C +ATOM 135 O CYS A 357 13.217 -6.999 8.290 1.00 49.62 O +ATOM 136 CB CYS A 357 14.864 -7.462 5.509 1.00 48.66 C +ATOM 137 SG CYS A 357 16.547 -7.676 4.876 1.00 52.49 S +ATOM 138 H CYS A 357 14.683 -9.946 5.532 1.00 49.58 H +ATOM 139 HA CYS A 357 15.356 -8.034 7.499 1.00 48.46 H +ATOM 140 HB3 CYS A 357 14.680 -6.404 5.695 1.00 48.66 H +ATOM 141 HB2 CYS A 357 14.149 -7.739 4.735 1.00 48.66 H +ATOM 142 HG CYS A 357 16.696 -8.922 4.417 1.00 52.49 H +ATOM 143 N SER A 358 12.128 -8.481 6.949 1.00 45.50 N +ATOM 144 CA SER A 358 10.777 -8.264 7.474 1.00 44.69 C +ATOM 145 C SER A 358 10.690 -8.749 8.923 1.00 46.92 C +ATOM 146 O SER A 358 10.013 -8.121 9.736 1.00 46.48 O +ATOM 147 CB SER A 358 9.740 -8.978 6.613 1.00 48.19 C +ATOM 148 OG SER A 358 9.666 -8.413 5.314 0.50 56.63 O +ATOM 149 H SER A 358 12.201 -9.156 6.201 1.00 45.50 H +ATOM 150 HA SER A 358 10.566 -7.195 7.454 1.00 44.69 H +ATOM 151 HB3 SER A 358 8.763 -8.913 7.093 1.00 48.19 H +ATOM 152 HB2 SER A 358 9.998 -10.034 6.535 1.00 48.19 H +ATOM 153 HG SER A 358 10.459 -8.637 4.822 1.00 56.63 H +ATOM 154 N GLY A 359 11.400 -9.840 9.221 1.00 42.35 N +ATOM 155 CA GLY A 359 11.479 -10.436 10.550 1.00 41.68 C +ATOM 156 C GLY A 359 12.274 -9.598 11.532 1.00 44.24 C +ATOM 157 O GLY A 359 11.936 -9.560 12.719 1.00 43.74 O +ATOM 158 H GLY A 359 11.930 -10.310 8.501 1.00 42.35 H +ATOM 159 HA3 GLY A 359 11.925 -11.428 10.476 1.00 41.68 H +ATOM 160 HA2 GLY A 359 10.472 -10.590 10.938 1.00 41.68 H +ATOM 161 N ILE A 360 13.342 -8.924 11.042 1.00 40.02 N +ATOM 162 CA ILE A 360 14.212 -8.041 11.836 1.00 39.44 C +ATOM 163 C ILE A 360 13.417 -6.794 12.263 1.00 42.75 C +ATOM 164 O ILE A 360 13.418 -6.452 13.447 1.00 42.07 O +ATOM 165 CB ILE A 360 15.548 -7.712 11.096 1.00 42.43 C +ATOM 166 CG1 ILE A 360 16.411 -8.985 10.919 1.00 42.86 C +ATOM 167 CG2 ILE A 360 16.351 -6.614 11.822 1.00 43.03 C +ATOM 168 CD1 ILE A 360 17.375 -8.971 9.717 1.00 49.61 C +ATOM 169 H ILE A 360 13.589 -9.010 10.066 1.00 40.02 H +ATOM 170 HA ILE A 360 14.474 -8.582 12.746 1.00 39.44 H +ATOM 171 HB ILE A 360 15.296 -7.339 10.103 1.00 42.43 H +ATOM 172 HG13 ILE A 360 15.759 -9.855 10.847 1.00 42.86 H +ATOM 173 HG12 ILE A 360 16.977 -9.166 11.833 1.00 42.86 H +ATOM 174 HG21 ILE A 360 17.273 -6.415 11.275 1.00 43.03 H +ATOM 175 HG22 ILE A 360 15.756 -5.702 11.874 1.00 43.03 H +ATOM 176 HG23 ILE A 360 16.593 -6.947 12.831 1.00 43.03 H +ATOM 177 HD11 ILE A 360 17.931 -9.908 9.685 1.00 49.61 H +ATOM 178 HD12 ILE A 360 16.805 -8.856 8.795 1.00 49.61 H +ATOM 179 HD13 ILE A 360 18.072 -8.139 9.819 1.00 49.61 H +ATOM 180 N LEU A 361 12.700 -6.159 11.305 1.00 39.26 N +ATOM 181 CA LEU A 361 11.855 -4.984 11.550 1.00 39.05 C +ATOM 182 C LEU A 361 10.687 -5.316 12.481 1.00 42.52 C +ATOM 183 O LEU A 361 10.268 -4.455 13.258 1.00 42.19 O +ATOM 184 CB LEU A 361 11.314 -4.408 10.233 1.00 39.17 C +ATOM 185 CG LEU A 361 11.671 -2.952 9.899 1.00 44.00 C +ATOM 186 CD1 LEU A 361 11.037 -2.542 8.598 1.00 44.16 C +ATOM 187 CD2 LEU A 361 11.216 -1.984 10.990 1.00 46.64 C +ATOM 188 H LEU A 361 12.727 -6.490 10.351 1.00 39.26 H +ATOM 189 HA LEU A 361 12.466 -4.220 12.030 1.00 39.05 H +ATOM 190 HB3 LEU A 361 10.231 -4.525 10.209 1.00 39.17 H +ATOM 191 HB2 LEU A 361 11.622 -5.050 9.408 1.00 39.17 H +ATOM 192 HG LEU A 361 12.753 -2.875 9.797 1.00 44.00 H +ATOM 193 HD11 LEU A 361 11.299 -1.508 8.375 1.00 44.16 H +ATOM 194 HD12 LEU A 361 11.398 -3.188 7.798 1.00 44.16 H +ATOM 195 HD13 LEU A 361 9.954 -2.632 8.677 1.00 44.16 H +ATOM 196 HD21 LEU A 361 11.490 -0.966 10.711 1.00 46.64 H +ATOM 197 HD22 LEU A 361 10.134 -2.050 11.107 1.00 46.64 H +ATOM 198 HD23 LEU A 361 11.699 -2.244 11.932 1.00 46.64 H +ATOM 199 N LYS A 362 10.170 -6.564 12.399 1.00 38.70 N +ATOM 200 CA LYS A 362 9.080 -7.082 13.230 1.00 38.29 C +ATOM 201 C LYS A 362 9.509 -7.104 14.700 1.00 41.40 C +ATOM 202 O LYS A 362 8.727 -6.700 15.562 1.00 41.40 O +ATOM 203 CB LYS A 362 8.670 -8.488 12.764 1.00 40.96 C +ATOM 204 CG LYS A 362 7.211 -8.834 13.044 1.00 55.60 C +ATOM 205 CD LYS A 362 6.866 -10.281 12.676 1.00 66.22 C +ATOM 206 CE LYS A 362 6.382 -10.457 11.251 1.00 77.56 C +ATOM 207 NZ LYS A 362 7.507 -10.545 10.281 1.00 85.37 N1+ +ATOM 208 H LYS A 362 10.538 -7.220 11.724 1.00 38.70 H +ATOM 209 HA LYS A 362 8.221 -6.419 13.129 1.00 38.29 H +ATOM 210 HB3 LYS A 362 9.314 -9.228 13.238 1.00 40.96 H +ATOM 211 HB2 LYS A 362 8.866 -8.586 11.696 1.00 40.96 H +ATOM 212 HG3 LYS A 362 6.565 -8.155 12.488 1.00 55.60 H +ATOM 213 HG2 LYS A 362 6.995 -8.667 14.099 1.00 55.60 H +ATOM 214 HD3 LYS A 362 6.109 -10.658 13.364 1.00 66.22 H +ATOM 215 HD2 LYS A 362 7.738 -10.914 12.842 1.00 66.22 H +ATOM 216 HE3 LYS A 362 5.736 -9.621 10.982 1.00 77.56 H +ATOM 217 HE2 LYS A 362 5.774 -11.359 11.184 1.00 77.56 H +ATOM 218 HZ1 LYS A 362 8.069 -9.708 10.340 1.00 85.37 H +ATOM 219 HZ2 LYS A 362 8.078 -11.349 10.499 1.00 85.37 H +ATOM 220 HZ3 LYS A 362 7.139 -10.638 9.345 1.00 85.37 H +ATOM 221 N GLU A 363 10.760 -7.545 14.977 1.00 37.01 N +ATOM 222 CA GLU A 363 11.337 -7.575 16.326 1.00 36.34 C +ATOM 223 C GLU A 363 11.544 -6.143 16.829 1.00 39.72 C +ATOM 224 O GLU A 363 11.223 -5.853 17.981 1.00 39.37 O +ATOM 225 CB GLU A 363 12.663 -8.360 16.355 1.00 37.55 C +ATOM 226 CG GLU A 363 13.257 -8.470 17.753 1.00 45.49 C +ATOM 227 CD GLU A 363 14.532 -9.268 17.948 1.00 59.27 C +ATOM 228 OE1 GLU A 363 14.854 -10.119 17.088 1.00 54.01 O +ATOM 229 OE2 GLU A 363 15.177 -9.084 19.005 1.00 51.26 O1- +ATOM 230 H GLU A 363 11.354 -7.879 14.232 1.00 37.01 H +ATOM 231 HA GLU A 363 10.630 -8.072 16.990 1.00 36.34 H +ATOM 232 HB3 GLU A 363 13.383 -7.879 15.692 1.00 37.55 H +ATOM 233 HB2 GLU A 363 12.501 -9.359 15.951 1.00 37.55 H +ATOM 234 HG3 GLU A 363 12.494 -8.846 18.435 1.00 45.49 H +ATOM 235 HG2 GLU A 363 13.399 -7.468 18.159 1.00 45.49 H +ATOM 236 N MET A 364 12.049 -5.249 15.952 1.00 35.83 N +ATOM 237 CA MET A 364 12.292 -3.836 16.254 1.00 35.53 C +ATOM 238 C MET A 364 11.011 -3.090 16.661 1.00 40.33 C +ATOM 239 O MET A 364 11.086 -2.150 17.452 1.00 39.51 O +ATOM 240 CB MET A 364 13.001 -3.139 15.079 1.00 37.59 C +ATOM 241 CG MET A 364 14.473 -3.507 14.967 1.00 40.89 C +ATOM 242 SD MET A 364 15.235 -3.071 13.383 1.00 44.78 S +ATOM 243 CE MET A 364 15.491 -1.318 13.611 1.00 41.39 C +ATOM 244 H MET A 364 12.287 -5.540 15.015 1.00 35.83 H +ATOM 245 HA MET A 364 12.970 -3.801 17.107 1.00 35.53 H +ATOM 246 HB3 MET A 364 12.905 -2.059 15.188 1.00 37.59 H +ATOM 247 HB2 MET A 364 12.493 -3.392 14.148 1.00 37.59 H +ATOM 248 HG3 MET A 364 14.592 -4.576 15.143 1.00 40.89 H +ATOM 249 HG2 MET A 364 15.027 -3.032 15.777 1.00 40.89 H +ATOM 250 HE1 MET A 364 15.955 -0.899 12.718 1.00 41.39 H +ATOM 251 HE2 MET A 364 14.532 -0.830 13.784 1.00 41.39 H +ATOM 252 HE3 MET A 364 16.142 -1.154 14.470 1.00 41.39 H +ATOM 253 N PHE A 365 9.842 -3.533 16.146 1.00 38.05 N +ATOM 254 CA PHE A 365 8.521 -2.969 16.443 1.00 38.40 C +ATOM 255 C PHE A 365 7.839 -3.620 17.657 1.00 44.31 C +ATOM 256 O PHE A 365 6.911 -3.028 18.214 1.00 44.05 O +ATOM 257 CB PHE A 365 7.596 -3.085 15.218 1.00 40.06 C +ATOM 258 CG PHE A 365 7.528 -1.871 14.321 1.00 41.31 C +ATOM 259 CD1 PHE A 365 6.921 -0.697 14.755 1.00 44.22 C +ATOM 260 CD2 PHE A 365 8.007 -1.923 13.018 1.00 43.18 C +ATOM 261 CE1 PHE A 365 6.842 0.419 13.917 1.00 45.06 C +ATOM 262 CE2 PHE A 365 7.918 -0.810 12.178 1.00 45.99 C +ATOM 263 CZ PHE A 365 7.333 0.353 12.633 1.00 44.10 C +ATOM 264 H PHE A 365 9.836 -4.311 15.503 1.00 38.05 H +ATOM 265 HA PHE A 365 8.652 -1.909 16.663 1.00 38.40 H +ATOM 266 HB3 PHE A 365 6.590 -3.344 15.550 1.00 40.06 H +ATOM 267 HB2 PHE A 365 7.889 -3.953 14.627 1.00 40.06 H +ATOM 268 HD1 PHE A 365 6.504 -0.640 15.750 1.00 44.22 H +ATOM 269 HD2 PHE A 365 8.455 -2.831 12.643 1.00 43.18 H +ATOM 270 HE1 PHE A 365 6.395 1.334 14.277 1.00 45.06 H +ATOM 271 HE2 PHE A 365 8.307 -0.860 11.172 1.00 45.99 H +ATOM 272 HZ PHE A 365 7.260 1.212 11.982 1.00 44.10 H +ATOM 273 N ALA A 366 8.277 -4.840 18.049 1.00 42.28 N +ATOM 274 CA ALA A 366 7.712 -5.615 19.163 1.00 42.66 C +ATOM 275 C ALA A 366 7.802 -4.919 20.522 1.00 47.92 C +ATOM 276 O ALA A 366 8.712 -4.120 20.748 1.00 47.84 O +ATOM 277 CB ALA A 366 8.353 -6.994 19.229 1.00 43.42 C +ATOM 278 H ALA A 366 9.046 -5.280 17.564 1.00 42.28 H +ATOM 279 HA ALA A 366 6.654 -5.763 18.947 1.00 42.66 H +ATOM 280 HB1 ALA A 366 7.924 -7.555 20.059 1.00 43.42 H +ATOM 281 HB2 ALA A 366 8.167 -7.527 18.296 1.00 43.42 H +ATOM 282 HB3 ALA A 366 9.428 -6.889 19.379 1.00 43.42 H +ATOM 283 N LYS A 367 6.853 -5.246 21.427 1.00 45.02 N +ATOM 284 CA LYS A 367 6.717 -4.704 22.787 1.00 45.05 C +ATOM 285 C LYS A 367 7.971 -4.855 23.665 1.00 48.79 C +ATOM 286 O LYS A 367 8.144 -4.084 24.611 1.00 48.75 O +ATOM 287 CB LYS A 367 5.491 -5.315 23.488 1.00 47.90 C +ATOM 288 CG LYS A 367 4.159 -4.837 22.915 1.00 64.27 C +ATOM 289 CD LYS A 367 3.031 -5.816 23.208 1.00 74.59 C +ATOM 290 CE LYS A 367 1.755 -5.424 22.504 1.00 84.41 C +ATOM 291 NZ LYS A 367 0.697 -6.454 22.669 1.00 92.45 N1+ +ATOM 292 H LYS A 367 6.144 -5.926 21.192 1.00 45.02 H +ATOM 293 HA LYS A 367 6.526 -3.636 22.686 1.00 45.05 H +ATOM 294 HB3 LYS A 367 5.531 -5.084 24.553 1.00 47.90 H +ATOM 295 HB2 LYS A 367 5.543 -6.402 23.425 1.00 47.90 H +ATOM 296 HG3 LYS A 367 4.254 -4.706 21.837 1.00 64.27 H +ATOM 297 HG2 LYS A 367 3.912 -3.863 23.336 1.00 64.27 H +ATOM 298 HD3 LYS A 367 2.855 -5.855 24.283 1.00 74.59 H +ATOM 299 HD2 LYS A 367 3.327 -6.816 22.891 1.00 74.59 H +ATOM 300 HE3 LYS A 367 1.956 -5.278 21.443 1.00 84.41 H +ATOM 301 HE2 LYS A 367 1.400 -4.473 22.900 1.00 84.41 H +ATOM 302 HZ1 LYS A 367 0.494 -6.574 23.651 1.00 92.45 H +ATOM 303 HZ2 LYS A 367 -0.139 -6.158 22.186 1.00 92.45 H +ATOM 304 HZ3 LYS A 367 1.017 -7.331 22.282 1.00 92.45 H +ATOM 305 N LYS A 368 8.835 -5.839 23.344 1.00 44.87 N +ATOM 306 CA LYS A 368 10.089 -6.148 24.039 1.00 44.50 C +ATOM 307 C LYS A 368 11.084 -4.972 23.988 1.00 47.83 C +ATOM 308 O LYS A 368 11.740 -4.691 24.993 1.00 47.68 O +ATOM 309 CB LYS A 368 10.716 -7.417 23.426 1.00 47.06 C +ATOM 310 CG LYS A 368 11.919 -7.981 24.179 1.00 62.14 C +ATOM 311 CD LYS A 368 12.604 -9.076 23.373 1.00 72.48 C +ATOM 312 CE LYS A 368 13.875 -9.558 24.026 1.00 85.14 C +ATOM 313 NZ LYS A 368 14.544 -10.612 23.218 1.00 95.09 N1+ +ATOM 314 H LYS A 368 8.642 -6.445 22.559 1.00 44.87 H +ATOM 315 HA LYS A 368 9.858 -6.353 25.084 1.00 44.50 H +ATOM 316 HB3 LYS A 368 11.000 -7.216 22.393 1.00 47.06 H +ATOM 317 HB2 LYS A 368 9.952 -8.189 23.337 1.00 47.06 H +ATOM 318 HG3 LYS A 368 11.591 -8.386 25.136 1.00 62.14 H +ATOM 319 HG2 LYS A 368 12.630 -7.179 24.380 1.00 62.14 H +ATOM 320 HD3 LYS A 368 12.829 -8.704 22.374 1.00 72.48 H +ATOM 321 HD2 LYS A 368 11.920 -9.915 23.248 1.00 72.48 H +ATOM 322 HE3 LYS A 368 13.647 -9.951 25.017 1.00 85.14 H +ATOM 323 HE2 LYS A 368 14.555 -8.717 24.160 1.00 85.14 H +ATOM 324 HZ1 LYS A 368 14.687 -10.275 22.277 1.00 95.09 H +ATOM 325 HZ2 LYS A 368 15.436 -10.840 23.633 1.00 95.09 H +ATOM 326 HZ3 LYS A 368 13.964 -11.438 23.195 1.00 95.09 H +ATOM 327 N HIS A 369 11.190 -4.294 22.827 1.00 43.49 N +ATOM 328 CA HIS A 369 12.115 -3.174 22.615 1.00 42.83 C +ATOM 329 C HIS A 369 11.431 -1.791 22.595 1.00 46.09 C +ATOM 330 O HIS A 369 12.115 -0.784 22.404 1.00 45.55 O +ATOM 331 CB HIS A 369 12.948 -3.396 21.334 1.00 43.40 C +ATOM 332 CG HIS A 369 13.540 -4.767 21.214 1.00 46.64 C +ATOM 333 ND1 HIS A 369 13.213 -5.779 20.378 1.00 48.33 N1+ +ATOM 334 CD2 HIS A 369 14.586 -5.176 22.019 1.00 48.24 C +ATOM 335 CE1 HIS A 369 14.061 -6.821 20.666 1.00 47.68 C +ATOM 336 NE2 HIS A 369 14.859 -6.417 21.653 1.00 48.01 N +ATOM 337 H HIS A 369 10.612 -4.549 22.039 1.00 43.49 H +ATOM 338 HA HIS A 369 12.812 -3.173 23.453 1.00 42.83 H +ATOM 339 HB3 HIS A 369 13.745 -2.653 21.288 1.00 43.40 H +ATOM 340 HB2 HIS A 369 12.329 -3.192 20.461 1.00 43.40 H +ATOM 341 HD1 HIS A 369 12.411 -5.653 19.665 1.00 48.33 H +ATOM 342 HD2 HIS A 369 14.968 -4.546 22.709 1.00 48.24 H +ATOM 343 HE1 HIS A 369 13.991 -7.686 20.150 1.00 47.68 H +ATOM 344 HE2 HIS A 369 15.597 -6.929 22.114 1.00 48.01 H +ATOM 345 N ALA A 370 10.099 -1.746 22.836 1.00 42.37 N +ATOM 346 CA ALA A 370 9.243 -0.546 22.842 1.00 41.95 C +ATOM 347 C ALA A 370 9.740 0.630 23.701 1.00 45.43 C +ATOM 348 O ALA A 370 9.409 1.778 23.396 1.00 45.13 O +ATOM 349 CB ALA A 370 7.827 -0.920 23.249 1.00 42.62 C +ATOM 350 H ALA A 370 9.593 -2.597 23.038 1.00 42.37 H +ATOM 351 HA ALA A 370 9.193 -0.188 21.814 1.00 41.95 H +ATOM 352 HB1 ALA A 370 7.201 -0.028 23.251 1.00 42.62 H +ATOM 353 HB2 ALA A 370 7.424 -1.644 22.541 1.00 42.62 H +ATOM 354 HB3 ALA A 370 7.839 -1.357 24.248 1.00 42.62 H +ATOM 355 N ALA A 371 10.519 0.345 24.763 1.00 41.58 N +ATOM 356 CA ALA A 371 11.073 1.331 25.697 1.00 41.29 C +ATOM 357 C ALA A 371 12.064 2.315 25.065 1.00 44.50 C +ATOM 358 O ALA A 371 12.169 3.453 25.530 1.00 44.05 O +ATOM 359 CB ALA A 371 11.733 0.619 26.865 1.00 42.11 C +ATOM 360 H ALA A 371 10.764 -0.613 24.967 1.00 41.58 H +ATOM 361 HA ALA A 371 10.241 1.912 26.094 1.00 41.29 H +ATOM 362 HB1 ALA A 371 12.143 1.356 27.556 1.00 42.11 H +ATOM 363 HB2 ALA A 371 10.994 0.008 27.383 1.00 42.11 H +ATOM 364 HB3 ALA A 371 12.536 -0.018 26.496 1.00 42.11 H +ATOM 365 N TYR A 372 12.799 1.874 24.028 1.00 40.49 N +ATOM 366 CA TYR A 372 13.802 2.691 23.338 1.00 39.86 C +ATOM 367 C TYR A 372 13.594 2.781 21.817 1.00 42.59 C +ATOM 368 O TYR A 372 14.242 3.603 21.165 1.00 42.22 O +ATOM 369 CB TYR A 372 15.234 2.220 23.677 1.00 41.02 C +ATOM 370 CG TYR A 372 15.431 0.719 23.651 1.00 42.86 C +ATOM 371 CD1 TYR A 372 15.714 0.053 22.461 1.00 44.84 C +ATOM 372 CD2 TYR A 372 15.373 -0.031 24.821 1.00 43.65 C +ATOM 373 CE1 TYR A 372 15.900 -1.328 22.432 1.00 45.59 C +ATOM 374 CE2 TYR A 372 15.559 -1.412 24.805 1.00 44.53 C +ATOM 375 CZ TYR A 372 15.825 -2.056 23.608 1.00 51.90 C +ATOM 376 OH TYR A 372 16.017 -3.414 23.592 1.00 52.69 O +ATOM 377 H TYR A 372 12.674 0.932 23.685 1.00 40.49 H +ATOM 378 HA TYR A 372 13.704 3.704 23.729 1.00 39.86 H +ATOM 379 HB3 TYR A 372 15.518 2.604 24.657 1.00 41.02 H +ATOM 380 HB2 TYR A 372 15.940 2.688 22.991 1.00 41.02 H +ATOM 381 HD1 TYR A 372 15.793 0.607 21.538 1.00 44.84 H +ATOM 382 HD2 TYR A 372 15.181 0.456 25.766 1.00 43.65 H +ATOM 383 HE1 TYR A 372 16.102 -1.826 21.495 1.00 45.59 H +ATOM 384 HE2 TYR A 372 15.496 -1.976 25.724 1.00 44.53 H +ATOM 385 HH TYR A 372 15.861 -3.770 24.470 1.00 52.69 H +ATOM 386 N ALA A 373 12.688 1.955 21.259 1.00 38.23 N +ATOM 387 CA ALA A 373 12.399 1.926 19.823 1.00 37.53 C +ATOM 388 C ALA A 373 11.301 2.891 19.368 1.00 40.09 C +ATOM 389 O ALA A 373 11.272 3.236 18.183 1.00 39.44 O +ATOM 390 CB ALA A 373 12.067 0.511 19.382 1.00 38.22 C +ATOM 391 H ALA A 373 12.167 1.312 21.838 1.00 38.23 H +ATOM 392 HA ALA A 373 13.314 2.216 19.306 1.00 37.53 H +ATOM 393 HB1 ALA A 373 11.854 0.504 18.313 1.00 38.22 H +ATOM 394 HB2 ALA A 373 12.915 -0.143 19.588 1.00 38.22 H +ATOM 395 HB3 ALA A 373 11.193 0.155 19.928 1.00 38.22 H +ATOM 396 N TRP A 374 10.424 3.351 20.299 1.00 36.04 N +ATOM 397 CA TRP A 374 9.301 4.259 20.010 1.00 35.55 C +ATOM 398 C TRP A 374 9.684 5.580 19.282 1.00 38.49 C +ATOM 399 O TRP A 374 8.884 5.985 18.433 1.00 38.17 O +ATOM 400 CB TRP A 374 8.444 4.562 21.261 1.00 34.33 C +ATOM 401 CG TRP A 374 9.090 5.419 22.312 1.00 35.28 C +ATOM 402 CD1 TRP A 374 9.774 4.989 23.409 1.00 38.15 C +ATOM 403 CD2 TRP A 374 9.058 6.853 22.395 1.00 35.11 C +ATOM 404 NE1 TRP A 374 10.190 6.063 24.160 1.00 37.57 N +ATOM 405 CE2 TRP A 374 9.781 7.221 23.551 1.00 38.99 C +ATOM 406 CE3 TRP A 374 8.521 7.868 21.582 1.00 36.33 C +ATOM 407 CZ2 TRP A 374 9.965 8.558 23.927 1.00 38.28 C +ATOM 408 CZ3 TRP A 374 8.707 9.191 21.952 1.00 37.81 C +ATOM 409 CH2 TRP A 374 9.421 9.526 23.112 1.00 38.44 C +ATOM 410 H TRP A 374 10.520 3.071 21.265 1.00 36.04 H +ATOM 411 HA TRP A 374 8.648 3.718 19.324 1.00 35.55 H +ATOM 412 HB3 TRP A 374 8.121 3.623 21.711 1.00 34.33 H +ATOM 413 HB2 TRP A 374 7.505 5.020 20.951 1.00 34.33 H +ATOM 414 HD1 TRP A 374 9.916 3.932 23.576 1.00 38.15 H +ATOM 415 HE1 TRP A 374 10.710 5.912 25.012 1.00 37.57 H +ATOM 416 HE3 TRP A 374 7.975 7.610 20.687 1.00 36.33 H +ATOM 417 HZ2 TRP A 374 10.516 8.795 24.825 1.00 38.28 H +ATOM 418 HZ3 TRP A 374 8.299 9.984 21.343 1.00 37.81 H +ATOM 419 HH2 TRP A 374 9.540 10.570 23.360 1.00 38.44 H +ATOM 420 N PRO A 375 10.837 6.273 19.529 1.00 34.13 N +ATOM 421 CA PRO A 375 11.106 7.513 18.773 1.00 33.67 C +ATOM 422 C PRO A 375 11.456 7.295 17.295 1.00 36.83 C +ATOM 423 O PRO A 375 11.534 8.264 16.541 1.00 36.28 O +ATOM 424 CB PRO A 375 12.263 8.170 19.543 1.00 35.45 C +ATOM 425 CG PRO A 375 12.464 7.351 20.772 1.00 39.96 C +ATOM 426 CD PRO A 375 11.937 6.000 20.476 1.00 35.54 C +ATOM 427 HA PRO A 375 10.231 8.159 18.835 1.00 33.67 H +ATOM 428 HB3 PRO A 375 11.980 9.184 19.826 1.00 35.45 H +ATOM 429 HB2 PRO A 375 13.167 8.138 18.935 1.00 35.45 H +ATOM 430 HG3 PRO A 375 11.899 7.788 21.595 1.00 39.96 H +ATOM 431 HG2 PRO A 375 13.529 7.284 20.993 1.00 39.96 H +ATOM 432 HD2 PRO A 375 12.708 5.416 19.973 1.00 35.54 H +ATOM 433 HD3 PRO A 375 11.527 5.566 21.388 1.00 35.54 H +ATOM 434 N PHE A 376 11.632 6.026 16.880 1.00 32.97 N +ATOM 435 CA PHE A 376 11.988 5.633 15.515 1.00 32.62 C +ATOM 436 C PHE A 376 10.816 5.018 14.742 1.00 37.16 C +ATOM 437 O PHE A 376 10.963 4.729 13.552 1.00 36.49 O +ATOM 438 CB PHE A 376 13.205 4.681 15.535 1.00 34.09 C +ATOM 439 CG PHE A 376 14.341 5.205 16.381 1.00 35.15 C +ATOM 440 CD1 PHE A 376 15.276 6.085 15.850 1.00 37.86 C +ATOM 441 CD2 PHE A 376 14.447 4.858 17.723 1.00 36.90 C +ATOM 442 CE1 PHE A 376 16.305 6.594 16.643 1.00 38.58 C +ATOM 443 CE2 PHE A 376 15.468 5.379 18.517 1.00 39.51 C +ATOM 444 CZ PHE A 376 16.377 6.257 17.975 1.00 37.48 C +ATOM 445 H PHE A 376 11.518 5.262 17.530 1.00 32.97 H +ATOM 446 HA PHE A 376 12.290 6.536 14.984 1.00 32.62 H +ATOM 447 HB3 PHE A 376 13.556 4.521 14.516 1.00 34.09 H +ATOM 448 HB2 PHE A 376 12.895 3.705 15.909 1.00 34.09 H +ATOM 449 HD1 PHE A 376 15.211 6.382 14.814 1.00 37.86 H +ATOM 450 HD2 PHE A 376 13.733 4.177 18.163 1.00 36.90 H +ATOM 451 HE1 PHE A 376 17.044 7.252 16.211 1.00 38.58 H +ATOM 452 HE2 PHE A 376 15.544 5.093 19.556 1.00 39.51 H +ATOM 453 HZ PHE A 376 17.149 6.682 18.599 1.00 37.48 H +ATOM 454 N TYR A 377 9.651 4.846 15.411 1.00 34.76 N +ATOM 455 CA TYR A 377 8.423 4.264 14.854 1.00 34.98 C +ATOM 456 C TYR A 377 7.917 5.010 13.619 1.00 40.11 C +ATOM 457 O TYR A 377 7.809 4.408 12.553 1.00 39.93 O +ATOM 458 CB TYR A 377 7.309 4.203 15.923 1.00 35.95 C +ATOM 459 CG TYR A 377 7.390 3.072 16.932 1.00 37.34 C +ATOM 460 CD1 TYR A 377 8.430 2.145 16.895 1.00 39.06 C +ATOM 461 CD2 TYR A 377 6.420 2.923 17.919 1.00 38.08 C +ATOM 462 CE1 TYR A 377 8.509 1.108 17.822 1.00 39.44 C +ATOM 463 CE2 TYR A 377 6.485 1.886 18.848 1.00 38.91 C +ATOM 464 CZ TYR A 377 7.532 0.981 18.797 1.00 45.43 C +ATOM 465 OH TYR A 377 7.597 -0.038 19.715 1.00 45.47 O +ATOM 466 H TYR A 377 9.577 5.129 16.378 1.00 34.76 H +ATOM 467 HA TYR A 377 8.649 3.241 14.553 1.00 34.98 H +ATOM 468 HB3 TYR A 377 6.338 4.173 15.428 1.00 35.95 H +ATOM 469 HB2 TYR A 377 7.268 5.154 16.453 1.00 35.95 H +ATOM 470 HD1 TYR A 377 9.196 2.222 16.137 1.00 39.06 H +ATOM 471 HD2 TYR A 377 5.596 3.619 17.976 1.00 38.08 H +ATOM 472 HE1 TYR A 377 9.329 0.407 17.779 1.00 39.44 H +ATOM 473 HE2 TYR A 377 5.720 1.790 19.605 1.00 38.91 H +ATOM 474 HH TYR A 377 8.396 -0.550 19.569 1.00 45.47 H +ATOM 475 N LYS A 378 7.629 6.316 13.765 1.00 37.31 N +ATOM 476 CA LYS A 378 7.106 7.194 12.714 1.00 37.32 C +ATOM 477 C LYS A 378 8.151 8.258 12.288 1.00 41.02 C +ATOM 478 O LYS A 378 9.157 8.398 12.989 1.00 40.37 O +ATOM 479 CB LYS A 378 5.822 7.856 13.205 1.00 0.00 C +ATOM 480 CG LYS A 378 4.561 7.049 12.879 1.00 0.00 C +ATOM 481 CD LYS A 378 3.254 7.691 13.361 1.00 0.00 C +ATOM 482 CE LYS A 378 1.979 6.897 13.045 1.00 0.00 C +ATOM 483 NZ LYS A 378 0.754 7.557 13.528 1.00 0.00 N1+ +ATOM 484 H LYS A 378 7.771 6.768 14.657 1.00 37.31 H +ATOM 485 HA LYS A 378 6.866 6.582 11.844 1.00 37.32 H +ATOM 486 HB2 LYS A 378 5.864 7.975 14.287 1.00 0.00 H +ATOM 487 HB3 LYS A 378 5.715 8.834 12.736 1.00 0.00 H +ATOM 488 HG2 LYS A 378 4.475 6.928 11.800 1.00 0.00 H +ATOM 489 HG3 LYS A 378 4.625 6.068 13.351 1.00 0.00 H +ATOM 490 HD2 LYS A 378 3.284 7.809 14.445 1.00 0.00 H +ATOM 491 HD3 LYS A 378 3.134 8.668 12.893 1.00 0.00 H +ATOM 492 HE2 LYS A 378 1.885 6.776 11.965 1.00 0.00 H +ATOM 493 HE3 LYS A 378 2.035 5.916 13.517 1.00 0.00 H +ATOM 494 HZ1 LYS A 378 0.666 8.465 13.094 1.00 0.00 H +ATOM 495 HZ2 LYS A 378 -0.049 6.992 13.293 1.00 0.00 H +ATOM 496 HZ3 LYS A 378 0.804 7.668 14.531 1.00 0.00 H +ATOM 497 N PRO A 379 7.967 9.012 11.163 1.00 37.63 N +ATOM 498 CA PRO A 379 8.976 10.028 10.793 1.00 37.42 C +ATOM 499 C PRO A 379 9.090 11.155 11.817 1.00 41.13 C +ATOM 500 O PRO A 379 8.110 11.459 12.503 1.00 40.70 O +ATOM 501 CB PRO A 379 8.486 10.556 9.438 1.00 39.19 C +ATOM 502 CG PRO A 379 7.477 9.567 8.959 1.00 43.61 C +ATOM 503 CD PRO A 379 6.856 8.994 10.187 1.00 39.12 C +ATOM 504 HA PRO A 379 9.947 9.549 10.668 1.00 37.42 H +ATOM 505 HB3 PRO A 379 9.321 10.588 8.739 1.00 39.19 H +ATOM 506 HB2 PRO A 379 8.005 11.524 9.579 1.00 39.19 H +ATOM 507 HG3 PRO A 379 7.981 8.775 8.405 1.00 43.61 H +ATOM 508 HG2 PRO A 379 6.715 10.082 8.374 1.00 43.61 H +ATOM 509 HD2 PRO A 379 6.063 9.658 10.532 1.00 39.12 H +ATOM 510 HD3 PRO A 379 6.564 7.962 9.994 1.00 39.12 H +ATOM 511 N VAL A 380 10.292 11.758 11.927 1.00 37.55 N +ATOM 512 CA VAL A 380 10.575 12.854 12.862 1.00 37.42 C +ATOM 513 C VAL A 380 9.658 14.053 12.564 1.00 41.48 C +ATOM 514 O VAL A 380 9.776 14.676 11.506 1.00 41.05 O +ATOM 515 CB VAL A 380 12.086 13.233 12.911 1.00 41.14 C +ATOM 516 CG1 VAL A 380 12.331 14.436 13.818 1.00 40.88 C +ATOM 517 CG2 VAL A 380 12.940 12.049 13.362 1.00 40.96 C +ATOM 518 H VAL A 380 11.062 11.460 11.345 1.00 37.55 H +ATOM 519 HA VAL A 380 10.309 12.495 13.856 1.00 37.42 H +ATOM 520 HB VAL A 380 12.396 13.505 11.902 1.00 41.14 H +ATOM 521 HG11 VAL A 380 13.395 14.673 13.829 1.00 40.88 H +ATOM 522 HG12 VAL A 380 11.772 15.294 13.444 1.00 40.88 H +ATOM 523 HG13 VAL A 380 12.001 14.202 14.830 1.00 40.88 H +ATOM 524 HG21 VAL A 380 13.989 12.345 13.386 1.00 40.96 H +ATOM 525 HG22 VAL A 380 12.629 11.735 14.358 1.00 40.96 H +ATOM 526 HG23 VAL A 380 12.812 11.222 12.664 1.00 40.96 H +ATOM 527 N ASP A 381 8.710 14.321 13.480 1.00 38.16 N +ATOM 528 CA ASP A 381 7.751 15.418 13.366 1.00 38.13 C +ATOM 529 C ASP A 381 8.440 16.713 13.798 1.00 42.06 C +ATOM 530 O ASP A 381 8.487 17.034 14.988 1.00 41.04 O +ATOM 531 CB ASP A 381 6.489 15.128 14.206 1.00 39.98 C +ATOM 532 CG ASP A 381 5.208 15.759 13.687 1.00 48.37 C +ATOM 533 OD1 ASP A 381 5.254 16.934 13.253 1.00 48.36 O +ATOM 534 OD2 ASP A 381 4.150 15.100 13.765 1.00 54.09 O1- +ATOM 535 H ASP A 381 8.631 13.747 14.308 1.00 38.16 H +ATOM 536 HA ASP A 381 7.457 15.514 12.321 1.00 38.13 H +ATOM 537 HB3 ASP A 381 6.658 15.449 15.234 1.00 39.98 H +ATOM 538 HB2 ASP A 381 6.352 14.050 14.290 1.00 39.98 H +ATOM 539 N VAL A 382 9.018 17.428 12.817 1.00 39.63 N +ATOM 540 CA VAL A 382 9.775 18.670 13.019 1.00 39.88 C +ATOM 541 C VAL A 382 8.904 19.817 13.554 1.00 44.18 C +ATOM 542 O VAL A 382 9.389 20.613 14.358 1.00 43.90 O +ATOM 543 CB VAL A 382 10.599 19.100 11.770 1.00 43.90 C +ATOM 544 CG1 VAL A 382 11.646 18.051 11.420 1.00 43.75 C +ATOM 545 CG2 VAL A 382 9.711 19.398 10.561 1.00 43.75 C +ATOM 546 H VAL A 382 8.947 17.119 11.858 1.00 39.63 H +ATOM 547 HA VAL A 382 10.503 18.455 13.801 1.00 39.88 H +ATOM 548 HB VAL A 382 11.127 20.019 12.025 1.00 43.90 H +ATOM 549 HG11 VAL A 382 12.208 18.376 10.544 1.00 43.75 H +ATOM 550 HG12 VAL A 382 12.328 17.922 12.261 1.00 43.75 H +ATOM 551 HG13 VAL A 382 11.153 17.103 11.204 1.00 43.75 H +ATOM 552 HG21 VAL A 382 10.333 19.693 9.716 1.00 43.75 H +ATOM 553 HG22 VAL A 382 9.143 18.506 10.298 1.00 43.75 H +ATOM 554 HG23 VAL A 382 9.023 20.208 10.805 1.00 43.75 H +ATOM 555 N GLU A 383 7.631 19.888 13.121 1.00 40.93 N +ATOM 556 CA GLU A 383 6.685 20.930 13.530 1.00 40.91 C +ATOM 557 C GLU A 383 6.186 20.730 14.963 1.00 44.86 C +ATOM 558 O GLU A 383 6.016 21.714 15.686 1.00 44.75 O +ATOM 559 CB GLU A 383 5.503 21.037 12.545 1.00 42.34 C +ATOM 560 CG GLU A 383 5.885 21.310 11.092 1.00 53.31 C +ATOM 561 CD GLU A 383 6.652 22.584 10.782 1.00 75.79 C +ATOM 562 OE1 GLU A 383 6.362 23.632 11.405 1.00 72.85 O +ATOM 563 OE2 GLU A 383 7.521 22.541 9.881 1.00 70.01 O1- +ATOM 564 H GLU A 383 7.278 19.196 12.475 1.00 40.93 H +ATOM 565 HA GLU A 383 7.218 21.881 13.502 1.00 40.91 H +ATOM 566 HB3 GLU A 383 4.817 21.811 12.889 1.00 42.34 H +ATOM 567 HB2 GLU A 383 4.908 20.125 12.596 1.00 42.34 H +ATOM 568 HG3 GLU A 383 4.988 21.274 10.474 1.00 53.31 H +ATOM 569 HG2 GLU A 383 6.439 20.456 10.702 1.00 53.31 H +ATOM 570 N ALA A 384 5.953 19.465 15.369 1.00 40.94 N +ATOM 571 CA ALA A 384 5.486 19.122 16.716 1.00 40.51 C +ATOM 572 C ALA A 384 6.602 19.237 17.760 1.00 43.83 C +ATOM 573 O ALA A 384 6.331 19.639 18.894 1.00 43.58 O +ATOM 574 CB ALA A 384 4.894 17.721 16.731 1.00 41.19 C +ATOM 575 H ALA A 384 6.100 18.695 14.732 1.00 40.94 H +ATOM 576 HA ALA A 384 4.697 19.824 16.988 1.00 40.51 H +ATOM 577 HB1 ALA A 384 4.552 17.481 17.738 1.00 41.19 H +ATOM 578 HB2 ALA A 384 4.052 17.675 16.041 1.00 41.19 H +ATOM 579 HB3 ALA A 384 5.654 17.002 16.425 1.00 41.19 H +ATOM 580 N LEU A 385 7.848 18.880 17.381 1.00 39.58 N +ATOM 581 CA LEU A 385 9.015 18.928 18.270 1.00 39.08 C +ATOM 582 C LEU A 385 9.737 20.284 18.262 1.00 42.18 C +ATOM 583 O LEU A 385 10.553 20.546 19.149 1.00 41.54 O +ATOM 584 CB LEU A 385 10.003 17.785 17.959 1.00 39.08 C +ATOM 585 CG LEU A 385 9.517 16.348 18.177 1.00 43.65 C +ATOM 586 CD1 LEU A 385 10.357 15.377 17.381 1.00 43.76 C +ATOM 587 CD2 LEU A 385 9.524 15.966 19.656 1.00 45.86 C +ATOM 588 H LEU A 385 8.016 18.558 16.439 1.00 39.58 H +ATOM 589 HA LEU A 385 8.650 18.767 19.284 1.00 39.08 H +ATOM 590 HB3 LEU A 385 10.921 17.942 18.525 1.00 39.08 H +ATOM 591 HB2 LEU A 385 10.361 17.890 16.935 1.00 39.08 H +ATOM 592 HG LEU A 385 8.491 16.281 17.816 1.00 43.65 H +ATOM 593 HD11 LEU A 385 9.997 14.362 17.549 1.00 43.76 H +ATOM 594 HD12 LEU A 385 10.284 15.617 16.320 1.00 43.76 H +ATOM 595 HD13 LEU A 385 11.397 15.450 17.699 1.00 43.76 H +ATOM 596 HD21 LEU A 385 9.173 14.940 19.769 1.00 45.86 H +ATOM 597 HD22 LEU A 385 10.538 16.048 20.048 1.00 45.86 H +ATOM 598 HD23 LEU A 385 8.866 16.637 20.208 1.00 45.86 H +ATOM 599 N GLY A 386 9.429 21.123 17.271 1.00 38.52 N +ATOM 600 CA GLY A 386 10.018 22.449 17.116 1.00 38.18 C +ATOM 601 C GLY A 386 11.474 22.418 16.697 1.00 41.48 C +ATOM 602 O GLY A 386 12.286 23.190 17.215 1.00 41.13 O +ATOM 603 H GLY A 386 8.752 20.852 16.572 1.00 38.52 H +ATOM 604 HA3 GLY A 386 9.923 22.999 18.052 1.00 38.18 H +ATOM 605 HA2 GLY A 386 9.443 23.017 16.385 1.00 38.18 H +ATOM 606 N LEU A 387 11.809 21.520 15.754 1.00 37.40 N +ATOM 607 CA LEU A 387 13.167 21.342 15.239 1.00 37.00 C +ATOM 608 C LEU A 387 13.326 22.108 13.919 1.00 41.03 C +ATOM 609 O LEU A 387 13.196 21.538 12.832 1.00 40.74 O +ATOM 610 CB LEU A 387 13.515 19.840 15.092 1.00 36.94 C +ATOM 611 CG LEU A 387 13.172 18.906 16.274 1.00 41.37 C +ATOM 612 CD1 LEU A 387 13.365 17.459 15.894 1.00 41.48 C +ATOM 613 CD2 LEU A 387 13.993 19.228 17.523 1.00 43.56 C +ATOM 614 H LEU A 387 11.103 20.917 15.357 1.00 37.40 H +ATOM 615 HA LEU A 387 13.858 21.776 15.962 1.00 37.00 H +ATOM 616 HB3 LEU A 387 14.574 19.740 14.853 1.00 36.94 H +ATOM 617 HB2 LEU A 387 13.052 19.453 14.184 1.00 36.94 H +ATOM 618 HG LEU A 387 12.120 19.050 16.519 1.00 41.37 H +ATOM 619 HD11 LEU A 387 13.117 16.823 16.744 1.00 41.48 H +ATOM 620 HD12 LEU A 387 12.714 17.213 15.055 1.00 41.48 H +ATOM 621 HD13 LEU A 387 14.404 17.293 15.608 1.00 41.48 H +ATOM 622 HD21 LEU A 387 13.716 18.545 18.326 1.00 43.56 H +ATOM 623 HD22 LEU A 387 15.054 19.115 17.300 1.00 43.56 H +ATOM 624 HD23 LEU A 387 13.795 20.254 17.834 1.00 43.56 H +ATOM 625 N HIS A 388 13.581 23.423 14.040 1.00 37.64 N +ATOM 626 CA HIS A 388 13.733 24.388 12.943 1.00 37.55 C +ATOM 627 C HIS A 388 14.921 24.135 12.014 1.00 41.65 C +ATOM 628 O HIS A 388 14.886 24.553 10.854 1.00 41.52 O +ATOM 629 CB HIS A 388 13.807 25.818 13.503 1.00 38.22 C +ATOM 630 CG HIS A 388 14.937 26.036 14.464 1.00 41.58 C +ATOM 631 ND1 HIS A 388 14.999 25.796 15.795 1.00 43.33 N +ATOM 632 CD2 HIS A 388 16.154 26.539 14.044 1.00 43.30 C +ATOM 633 CE1 HIS A 388 16.261 26.156 16.203 1.00 42.69 C +ATOM 634 NE2 HIS A 388 16.913 26.592 15.126 1.00 43.05 N +ATOM 635 H HIS A 388 13.687 23.835 14.956 1.00 37.64 H +ATOM 636 HA HIS A 388 12.831 24.328 12.335 1.00 37.55 H +ATOM 637 HB3 HIS A 388 12.864 26.064 13.992 1.00 38.22 H +ATOM 638 HB2 HIS A 388 13.893 26.525 12.678 1.00 38.22 H +ATOM 639 HD2 HIS A 388 16.294 26.776 13.072 1.00 43.30 H +ATOM 640 HE1 HIS A 388 16.525 26.059 17.173 1.00 42.69 H +ATOM 641 HE2 HIS A 388 17.927 26.958 15.057 1.00 43.05 H +ATOM 642 N ASP A 389 15.976 23.487 12.530 1.00 37.92 N +ATOM 643 CA ASP A 389 17.214 23.204 11.801 1.00 37.45 C +ATOM 644 C ASP A 389 17.357 21.749 11.314 1.00 40.71 C +ATOM 645 O ASP A 389 18.337 21.442 10.633 1.00 40.19 O +ATOM 646 CB ASP A 389 18.436 23.622 12.652 1.00 39.18 C +ATOM 647 CG ASP A 389 18.583 22.924 13.998 1.00 48.54 C +ATOM 648 OD1 ASP A 389 17.567 22.421 14.527 1.00 48.93 O +ATOM 649 OD2 ASP A 389 19.704 22.930 14.547 1.00 54.85 O1- +ATOM 650 H ASP A 389 15.949 23.157 13.484 1.00 37.92 H +ATOM 651 HA ASP A 389 17.213 23.837 10.914 1.00 37.45 H +ATOM 652 HB3 ASP A 389 18.414 24.701 12.807 1.00 39.18 H +ATOM 653 HB2 ASP A 389 19.346 23.476 12.070 1.00 39.18 H +ATOM 654 N TYR A 390 16.379 20.870 11.632 1.00 37.03 N +ATOM 655 CA TYR A 390 16.411 19.451 11.254 1.00 36.68 C +ATOM 656 C TYR A 390 16.466 19.210 9.740 1.00 41.42 C +ATOM 657 O TYR A 390 17.245 18.362 9.312 1.00 41.06 O +ATOM 658 CB TYR A 390 15.255 18.664 11.896 1.00 37.28 C +ATOM 659 CG TYR A 390 15.382 17.160 11.755 1.00 38.14 C +ATOM 660 CD1 TYR A 390 16.041 16.402 12.718 1.00 39.87 C +ATOM 661 CD2 TYR A 390 14.829 16.492 10.665 1.00 38.67 C +ATOM 662 CE1 TYR A 390 16.162 15.018 12.592 1.00 40.26 C +ATOM 663 CE2 TYR A 390 14.946 15.111 10.527 1.00 39.42 C +ATOM 664 CZ TYR A 390 15.613 14.377 11.493 1.00 45.63 C +ATOM 665 OH TYR A 390 15.723 13.016 11.356 1.00 45.06 O +ATOM 666 H TYR A 390 15.573 21.179 12.156 1.00 37.03 H +ATOM 667 HA TYR A 390 17.333 19.041 11.667 1.00 36.68 H +ATOM 668 HB3 TYR A 390 14.310 18.989 11.460 1.00 37.28 H +ATOM 669 HB2 TYR A 390 15.184 18.923 12.952 1.00 37.28 H +ATOM 670 HD1 TYR A 390 16.471 16.884 13.584 1.00 39.87 H +ATOM 671 HD2 TYR A 390 14.297 17.046 9.906 1.00 38.67 H +ATOM 672 HE1 TYR A 390 16.682 14.450 13.349 1.00 40.26 H +ATOM 673 HE2 TYR A 390 14.517 14.616 9.668 1.00 39.42 H +ATOM 674 HH TYR A 390 16.263 12.665 12.068 1.00 45.06 H +ATOM 675 N CYS A 391 15.651 19.929 8.938 1.00 38.39 N +ATOM 676 CA CYS A 391 15.637 19.765 7.477 1.00 38.37 C +ATOM 677 C CYS A 391 16.929 20.252 6.803 1.00 42.62 C +ATOM 678 O CYS A 391 17.306 19.717 5.758 1.00 42.45 O +ATOM 679 CB CYS A 391 14.398 20.403 6.857 1.00 38.64 C +ATOM 680 SG CYS A 391 12.852 19.539 7.238 0.50 42.50 S +ATOM 681 H CYS A 391 15.021 20.609 9.338 1.00 38.39 H +ATOM 682 HA CYS A 391 15.568 18.695 7.283 1.00 38.37 H +ATOM 683 HB3 CYS A 391 14.523 20.459 5.776 1.00 38.64 H +ATOM 684 HB2 CYS A 391 14.323 21.440 7.185 1.00 38.64 H +ATOM 685 HG CYS A 391 11.818 20.354 7.011 1.00 42.50 H +ATOM 686 N ASP A 392 17.614 21.240 7.411 1.00 39.14 N +ATOM 687 CA ASP A 392 18.877 21.785 6.907 1.00 39.01 C +ATOM 688 C ASP A 392 20.041 20.825 7.176 1.00 42.13 C +ATOM 689 O ASP A 392 20.946 20.715 6.347 1.00 41.93 O +ATOM 690 CB ASP A 392 19.170 23.163 7.533 1.00 41.17 C +ATOM 691 CG ASP A 392 18.110 24.227 7.296 1.00 53.60 C +ATOM 692 OD1 ASP A 392 17.529 24.256 6.186 1.00 54.56 O +ATOM 693 OD2 ASP A 392 17.891 25.056 8.205 1.00 60.29 O1- +ATOM 694 H ASP A 392 17.261 21.648 8.265 1.00 39.14 H +ATOM 695 HA ASP A 392 18.785 21.914 5.829 1.00 39.01 H +ATOM 696 HB3 ASP A 392 20.132 23.526 7.171 1.00 41.17 H +ATOM 697 HB2 ASP A 392 19.329 23.045 8.605 1.00 41.17 H +ATOM 698 N ILE A 393 20.015 20.138 8.337 1.00 37.56 N +ATOM 699 CA ILE A 393 21.045 19.184 8.762 1.00 36.77 C +ATOM 700 C ILE A 393 20.805 17.790 8.149 1.00 39.03 C +ATOM 701 O ILE A 393 21.728 17.215 7.568 1.00 38.50 O +ATOM 702 CB ILE A 393 21.182 19.172 10.319 1.00 39.85 C +ATOM 703 CG1 ILE A 393 21.637 20.562 10.840 1.00 40.21 C +ATOM 704 CG2 ILE A 393 22.136 18.062 10.806 1.00 40.54 C +ATOM 705 CD1 ILE A 393 21.246 20.899 12.284 1.00 47.37 C +ATOM 706 H ILE A 393 19.248 20.265 8.982 1.00 37.56 H +ATOM 707 HA ILE A 393 21.993 19.545 8.364 1.00 36.77 H +ATOM 708 HB ILE A 393 20.196 18.968 10.737 1.00 39.85 H +ATOM 709 HG13 ILE A 393 21.258 21.337 10.174 1.00 40.21 H +ATOM 710 HG12 ILE A 393 22.718 20.651 10.730 1.00 40.21 H +ATOM 711 HG21 ILE A 393 22.202 18.090 11.894 1.00 40.54 H +ATOM 712 HG22 ILE A 393 21.755 17.091 10.490 1.00 40.54 H +ATOM 713 HG23 ILE A 393 23.126 18.220 10.379 1.00 40.54 H +ATOM 714 HD11 ILE A 393 21.616 21.892 12.539 1.00 47.37 H +ATOM 715 HD12 ILE A 393 20.160 20.880 12.381 1.00 47.37 H +ATOM 716 HD13 ILE A 393 21.683 20.165 12.960 1.00 47.37 H +ATOM 717 N ILE A 394 19.571 17.267 8.268 1.00 34.57 N +ATOM 718 CA ILE A 394 19.170 15.950 7.761 1.00 34.05 C +ATOM 719 C ILE A 394 18.517 16.066 6.371 1.00 38.86 C +ATOM 720 O ILE A 394 17.353 16.461 6.257 1.00 38.24 O +ATOM 721 CB ILE A 394 18.292 15.181 8.806 1.00 36.73 C +ATOM 722 CG1 ILE A 394 18.960 15.115 10.220 1.00 36.83 C +ATOM 723 CG2 ILE A 394 17.867 13.791 8.313 1.00 37.21 C +ATOM 724 CD1 ILE A 394 20.436 14.555 10.333 1.00 40.70 C +ATOM 725 H ILE A 394 18.843 17.790 8.734 1.00 34.57 H +ATOM 726 HA ILE A 394 20.084 15.371 7.632 1.00 34.05 H +ATOM 727 HB ILE A 394 17.376 15.760 8.924 1.00 36.73 H +ATOM 728 HG13 ILE A 394 18.313 14.553 10.894 1.00 36.83 H +ATOM 729 HG12 ILE A 394 18.917 16.102 10.681 1.00 36.83 H +ATOM 730 HG21 ILE A 394 17.261 13.304 9.077 1.00 37.21 H +ATOM 731 HG22 ILE A 394 17.284 13.892 7.397 1.00 37.21 H +ATOM 732 HG23 ILE A 394 18.753 13.189 8.114 1.00 37.21 H +ATOM 733 HD11 ILE A 394 20.754 14.574 11.375 1.00 40.70 H +ATOM 734 HD12 ILE A 394 20.465 13.530 9.964 1.00 40.70 H +ATOM 735 HD13 ILE A 394 21.107 15.174 9.738 1.00 40.70 H +ATOM 736 N LYS A 395 19.286 15.726 5.321 1.00 36.34 N +ATOM 737 CA LYS A 395 18.842 15.774 3.925 1.00 36.44 C +ATOM 738 C LYS A 395 17.982 14.575 3.536 1.00 40.88 C +ATOM 739 O LYS A 395 17.040 14.729 2.754 1.00 40.58 O +ATOM 740 CB LYS A 395 20.044 15.917 2.975 1.00 39.06 C +ATOM 741 CG LYS A 395 20.182 17.307 2.357 1.00 54.49 C +ATOM 742 CD LYS A 395 20.771 18.340 3.326 1.00 64.65 C +ATOM 743 CE LYS A 395 20.313 19.747 3.019 1.00 75.31 C +ATOM 744 NZ LYS A 395 18.883 19.963 3.377 1.00 83.93 N1+ +ATOM 745 H LYS A 395 20.235 15.414 5.470 1.00 36.34 H +ATOM 746 HA LYS A 395 18.227 16.667 3.809 1.00 36.44 H +ATOM 747 HB3 LYS A 395 19.967 15.174 2.181 1.00 39.06 H +ATOM 748 HB2 LYS A 395 20.960 15.667 3.511 1.00 39.06 H +ATOM 749 HG3 LYS A 395 19.206 17.649 2.013 1.00 54.49 H +ATOM 750 HG2 LYS A 395 20.809 17.247 1.467 1.00 54.49 H +ATOM 751 HD3 LYS A 395 21.859 18.296 3.285 1.00 64.65 H +ATOM 752 HD2 LYS A 395 20.489 18.082 4.347 1.00 64.65 H +ATOM 753 HE3 LYS A 395 20.456 19.951 1.958 1.00 75.31 H +ATOM 754 HE2 LYS A 395 20.934 20.458 3.564 1.00 75.31 H +ATOM 755 HZ1 LYS A 395 18.755 19.800 4.365 1.00 83.93 H +ATOM 756 HZ2 LYS A 395 18.620 20.913 3.156 1.00 83.93 H +ATOM 757 HZ3 LYS A 395 18.304 19.323 2.853 1.00 83.93 H +ATOM 758 N HIS A 396 18.303 13.384 4.077 1.00 37.53 N +ATOM 759 CA HIS A 396 17.568 12.154 3.791 1.00 37.34 C +ATOM 760 C HIS A 396 16.996 11.546 5.086 1.00 40.74 C +ATOM 761 O HIS A 396 17.650 10.703 5.710 1.00 40.49 O +ATOM 762 CB HIS A 396 18.441 11.150 3.010 1.00 38.27 C +ATOM 763 CG HIS A 396 19.171 11.757 1.852 1.00 41.83 C +ATOM 764 ND1 HIS A 396 20.456 12.170 1.761 1.00 43.66 N +ATOM 765 CD2 HIS A 396 18.539 11.992 0.643 1.00 43.63 C +ATOM 766 CE1 HIS A 396 20.626 12.660 0.487 1.00 43.08 C +ATOM 767 NE2 HIS A 396 19.458 12.533 -0.142 1.00 43.41 N +ATOM 768 H HIS A 396 19.084 13.312 4.713 1.00 37.53 H +ATOM 769 HA HIS A 396 16.724 12.418 3.154 1.00 37.34 H +ATOM 770 HB3 HIS A 396 17.818 10.329 2.655 1.00 38.27 H +ATOM 771 HB2 HIS A 396 19.159 10.690 3.689 1.00 38.27 H +ATOM 772 HD2 HIS A 396 17.566 11.748 0.526 1.00 43.63 H +ATOM 773 HE1 HIS A 396 21.524 13.023 0.201 1.00 43.08 H +ATOM 774 HE2 HIS A 396 19.208 12.809 -1.156 1.00 43.41 H +ATOM 775 N PRO A 397 15.789 11.984 5.528 1.00 36.60 N +ATOM 776 CA PRO A 397 15.213 11.413 6.760 1.00 36.04 C +ATOM 777 C PRO A 397 14.735 9.974 6.570 1.00 38.74 C +ATOM 778 O PRO A 397 14.380 9.592 5.455 1.00 38.59 O +ATOM 779 CB PRO A 397 14.059 12.363 7.089 1.00 37.88 C +ATOM 780 CG PRO A 397 13.657 12.940 5.786 1.00 42.42 C +ATOM 781 CD PRO A 397 14.887 12.987 4.921 1.00 38.07 C +ATOM 782 HA PRO A 397 15.953 11.449 7.559 1.00 36.04 H +ATOM 783 HB3 PRO A 397 14.421 13.159 7.740 1.00 37.88 H +ATOM 784 HB2 PRO A 397 13.228 11.792 7.503 1.00 37.88 H +ATOM 785 HG3 PRO A 397 13.282 13.952 5.938 1.00 42.42 H +ATOM 786 HG2 PRO A 397 12.910 12.297 5.320 1.00 42.42 H +ATOM 787 HD2 PRO A 397 14.629 12.674 3.909 1.00 38.07 H +ATOM 788 HD3 PRO A 397 15.343 13.974 4.996 1.00 38.07 H +ATOM 789 N MET A 398 14.747 9.175 7.655 1.00 34.13 N +ATOM 790 CA MET A 398 14.330 7.768 7.640 1.00 33.31 C +ATOM 791 C MET A 398 13.793 7.321 9.006 1.00 36.47 C +ATOM 792 O MET A 398 14.261 7.789 10.046 1.00 35.68 O +ATOM 793 CB MET A 398 15.487 6.862 7.158 1.00 35.47 C +ATOM 794 CG MET A 398 15.069 5.442 6.744 1.00 38.79 C +ATOM 795 SD MET A 398 13.690 5.268 5.571 1.00 42.59 S +ATOM 796 CE MET A 398 14.341 6.148 4.139 1.00 39.12 C +ATOM 797 H MET A 398 15.056 9.537 8.546 1.00 34.13 H +ATOM 798 HA MET A 398 13.517 7.674 6.920 1.00 33.31 H +ATOM 799 HB3 MET A 398 16.246 6.802 7.938 1.00 35.47 H +ATOM 800 HB2 MET A 398 16.000 7.344 6.326 1.00 35.47 H +ATOM 801 HG3 MET A 398 14.853 4.858 7.639 1.00 38.79 H +ATOM 802 HG2 MET A 398 15.939 4.913 6.354 1.00 38.79 H +ATOM 803 HE1 MET A 398 13.606 6.127 3.334 1.00 39.12 H +ATOM 804 HE2 MET A 398 14.551 7.182 4.412 1.00 39.12 H +ATOM 805 HE3 MET A 398 15.260 5.667 3.803 1.00 39.12 H +ATOM 806 N ASP A 399 12.796 6.422 8.984 1.00 33.05 N +ATOM 807 CA ASP A 399 12.137 5.847 10.159 1.00 32.97 C +ATOM 808 C ASP A 399 11.653 4.425 9.850 1.00 36.97 C +ATOM 809 O ASP A 399 11.554 4.054 8.680 1.00 36.16 O +ATOM 810 CB ASP A 399 10.960 6.729 10.601 1.00 34.78 C +ATOM 811 CG ASP A 399 9.851 6.798 9.574 1.00 44.52 C +ATOM 812 OD1 ASP A 399 10.050 7.456 8.536 1.00 45.38 O +ATOM 813 OD2 ASP A 399 8.789 6.194 9.811 1.00 49.87 O1- +ATOM 814 H ASP A 399 12.439 6.086 8.101 1.00 33.05 H +ATOM 815 HA ASP A 399 12.860 5.799 10.974 1.00 32.97 H +ATOM 816 HB3 ASP A 399 11.321 7.736 10.812 1.00 34.78 H +ATOM 817 HB2 ASP A 399 10.559 6.353 11.542 1.00 34.78 H +ATOM 818 N MET A 400 11.316 3.656 10.896 1.00 34.24 N +ATOM 819 CA MET A 400 10.857 2.266 10.805 1.00 34.41 C +ATOM 820 C MET A 400 9.579 2.057 9.968 1.00 39.95 C +ATOM 821 O MET A 400 9.474 1.023 9.305 1.00 39.58 O +ATOM 822 CB MET A 400 10.697 1.664 12.200 1.00 36.50 C +ATOM 823 CG MET A 400 12.020 1.289 12.847 1.00 39.90 C +ATOM 824 SD MET A 400 11.960 1.190 14.653 1.00 43.68 S +ATOM 825 CE MET A 400 10.687 -0.039 14.874 1.00 40.31 C +ATOM 826 H MET A 400 11.369 4.027 11.834 1.00 34.24 H +ATOM 827 HA MET A 400 11.651 1.706 10.311 1.00 34.41 H +ATOM 828 HB3 MET A 400 10.059 0.782 12.143 1.00 36.50 H +ATOM 829 HB2 MET A 400 10.168 2.370 12.840 1.00 36.50 H +ATOM 830 HG3 MET A 400 12.784 2.007 12.550 1.00 39.90 H +ATOM 831 HG2 MET A 400 12.362 0.336 12.444 1.00 39.90 H +ATOM 832 HE1 MET A 400 10.531 -0.214 15.939 1.00 40.31 H +ATOM 833 HE2 MET A 400 9.759 0.314 14.424 1.00 40.31 H +ATOM 834 HE3 MET A 400 10.992 -0.969 14.395 1.00 40.31 H +ATOM 835 N SER A 401 8.626 3.020 9.983 1.00 37.57 N +ATOM 836 CA SER A 401 7.389 2.922 9.191 1.00 37.89 C +ATOM 837 C SER A 401 7.657 3.065 7.690 1.00 43.00 C +ATOM 838 O SER A 401 7.025 2.367 6.895 1.00 42.86 O +ATOM 839 CB SER A 401 6.349 3.940 9.648 1.00 41.15 C +ATOM 840 OG SER A 401 5.795 3.580 10.902 1.00 49.12 O +ATOM 841 H SER A 401 8.750 3.845 10.553 1.00 37.57 H +ATOM 842 HA SER A 401 6.971 1.929 9.357 1.00 37.89 H +ATOM 843 HB3 SER A 401 5.554 4.005 8.905 1.00 41.15 H +ATOM 844 HB2 SER A 401 6.813 4.923 9.725 1.00 41.15 H +ATOM 845 HG SER A 401 6.407 3.816 11.603 1.00 49.12 H +ATOM 846 N THR A 402 8.598 3.956 7.309 1.00 40.29 N +ATOM 847 CA THR A 402 8.999 4.183 5.917 1.00 40.54 C +ATOM 848 C THR A 402 9.747 2.952 5.381 1.00 45.23 C +ATOM 849 O THR A 402 9.532 2.572 4.227 1.00 44.95 O +ATOM 850 CB THR A 402 9.755 5.516 5.777 1.00 48.98 C +ATOM 851 OG1 THR A 402 8.913 6.561 6.264 1.00 50.15 O +ATOM 852 CG2 THR A 402 10.148 5.834 4.335 1.00 47.44 C +ATOM 853 H THR A 402 9.073 4.516 8.002 1.00 40.29 H +ATOM 854 HA THR A 402 8.083 4.276 5.334 1.00 40.54 H +ATOM 855 HB THR A 402 10.657 5.476 6.388 1.00 48.98 H +ATOM 856 HG1 THR A 402 9.182 6.801 7.154 1.00 50.15 H +ATOM 857 HG21 THR A 402 10.678 6.786 4.304 1.00 47.44 H +ATOM 858 HG22 THR A 402 10.796 5.046 3.952 1.00 47.44 H +ATOM 859 HG23 THR A 402 9.251 5.897 3.719 1.00 47.44 H +ATOM 860 N ILE A 403 10.582 2.309 6.232 1.00 42.04 N +ATOM 861 CA ILE A 403 11.321 1.087 5.882 1.00 41.95 C +ATOM 862 C ILE A 403 10.313 -0.064 5.682 1.00 46.59 C +ATOM 863 O ILE A 403 10.463 -0.840 4.738 1.00 46.07 O +ATOM 864 CB ILE A 403 12.463 0.745 6.897 1.00 44.84 C +ATOM 865 CG1 ILE A 403 13.431 1.935 7.083 1.00 45.00 C +ATOM 866 CG2 ILE A 403 13.250 -0.494 6.446 1.00 45.49 C +ATOM 867 CD1 ILE A 403 14.220 1.954 8.404 1.00 51.29 C +ATOM 868 H ILE A 403 10.724 2.666 7.166 1.00 42.04 H +ATOM 869 HA ILE A 403 11.795 1.267 4.917 1.00 41.95 H +ATOM 870 HB ILE A 403 12.006 0.525 7.862 1.00 44.84 H +ATOM 871 HG13 ILE A 403 12.878 2.868 6.981 1.00 45.00 H +ATOM 872 HG12 ILE A 403 14.129 1.965 6.246 1.00 45.00 H +ATOM 873 HG21 ILE A 403 14.037 -0.709 7.169 1.00 45.49 H +ATOM 874 HG22 ILE A 403 12.576 -1.348 6.379 1.00 45.49 H +ATOM 875 HG23 ILE A 403 13.696 -0.306 5.470 1.00 45.49 H +ATOM 876 HD11 ILE A 403 14.867 2.831 8.429 1.00 51.29 H +ATOM 877 HD12 ILE A 403 13.525 1.993 9.243 1.00 51.29 H +ATOM 878 HD13 ILE A 403 14.828 1.052 8.478 1.00 51.29 H +ATOM 879 N LYS A 404 9.263 -0.128 6.536 1.00 44.03 N +ATOM 880 CA LYS A 404 8.185 -1.122 6.468 1.00 44.33 C +ATOM 881 C LYS A 404 7.364 -0.959 5.176 1.00 49.44 C +ATOM 882 O LYS A 404 6.956 -1.961 4.586 1.00 49.27 O +ATOM 883 CB LYS A 404 7.277 -1.023 7.707 1.00 46.82 C +ATOM 884 CG LYS A 404 6.405 -2.253 7.939 1.00 61.72 C +ATOM 885 CD LYS A 404 5.566 -2.117 9.204 1.00 72.07 C +ATOM 886 CE LYS A 404 4.699 -3.326 9.464 1.00 83.43 C +ATOM 887 NZ LYS A 404 3.510 -3.366 8.571 1.00 93.00 N1+ +ATOM 888 H LYS A 404 9.182 0.541 7.288 1.00 44.03 H +ATOM 889 HA LYS A 404 8.638 -2.113 6.459 1.00 44.33 H +ATOM 890 HB3 LYS A 404 6.642 -0.141 7.620 1.00 46.82 H +ATOM 891 HB2 LYS A 404 7.890 -0.842 8.590 1.00 46.82 H +ATOM 892 HG3 LYS A 404 7.038 -3.137 8.017 1.00 61.72 H +ATOM 893 HG2 LYS A 404 5.748 -2.399 7.082 1.00 61.72 H +ATOM 894 HD3 LYS A 404 4.937 -1.230 9.128 1.00 72.07 H +ATOM 895 HD2 LYS A 404 6.223 -1.952 10.058 1.00 72.07 H +ATOM 896 HE3 LYS A 404 4.372 -3.320 10.504 1.00 83.43 H +ATOM 897 HE2 LYS A 404 5.289 -4.232 9.323 1.00 83.43 H +ATOM 898 HZ1 LYS A 404 3.798 -3.624 7.638 1.00 93.00 H +ATOM 899 HZ2 LYS A 404 2.850 -4.046 8.919 1.00 93.00 H +ATOM 900 HZ3 LYS A 404 3.074 -2.455 8.549 1.00 93.00 H +ATOM 901 N SER A 405 7.138 0.296 4.743 1.00 46.58 N +ATOM 902 CA SER A 405 6.401 0.622 3.520 1.00 46.74 C +ATOM 903 C SER A 405 7.232 0.308 2.272 1.00 51.28 C +ATOM 904 O SER A 405 6.687 -0.218 1.300 1.00 51.03 O +ATOM 905 CB SER A 405 5.969 2.085 3.523 1.00 50.37 C +ATOM 906 OG SER A 405 5.076 2.350 4.592 1.00 59.43 O +ATOM 907 H SER A 405 7.485 1.083 5.272 1.00 46.58 H +ATOM 908 HA SER A 405 5.503 0.005 3.492 1.00 46.74 H +ATOM 909 HB3 SER A 405 5.483 2.322 2.577 1.00 50.37 H +ATOM 910 HB2 SER A 405 6.848 2.723 3.618 1.00 50.37 H +ATOM 911 HG SER A 405 5.566 2.386 5.417 1.00 59.43 H +ATOM 912 N LYS A 406 8.549 0.616 2.307 1.00 48.13 N +ATOM 913 CA LYS A 406 9.490 0.358 1.210 1.00 48.10 C +ATOM 914 C LYS A 406 9.724 -1.142 1.005 1.00 52.84 C +ATOM 915 O LYS A 406 9.987 -1.574 -0.118 1.00 52.41 O +ATOM 916 CB LYS A 406 10.826 1.075 1.458 1.00 50.43 C +ATOM 917 CG LYS A 406 10.821 2.551 1.069 1.00 61.59 C +ATOM 918 CD LYS A 406 12.186 3.212 1.263 1.00 69.82 C +ATOM 919 CE LYS A 406 13.104 3.055 0.072 1.00 79.29 C +ATOM 920 NZ LYS A 406 14.411 3.727 0.292 1.00 87.51 N1+ +ATOM 921 H LYS A 406 8.944 1.053 3.127 1.00 48.13 H +ATOM 922 HA LYS A 406 9.057 0.760 0.294 1.00 48.10 H +ATOM 923 HB3 LYS A 406 11.619 0.561 0.914 1.00 50.43 H +ATOM 924 HB2 LYS A 406 11.098 0.979 2.509 1.00 50.43 H +ATOM 925 HG3 LYS A 406 10.075 3.080 1.662 1.00 61.59 H +ATOM 926 HG2 LYS A 406 10.515 2.650 0.028 1.00 61.59 H +ATOM 927 HD3 LYS A 406 12.667 2.796 2.148 1.00 69.82 H +ATOM 928 HD2 LYS A 406 12.048 4.272 1.476 1.00 69.82 H +ATOM 929 HE3 LYS A 406 12.625 3.474 -0.813 1.00 79.29 H +ATOM 930 HE2 LYS A 406 13.269 1.995 -0.121 1.00 79.29 H +ATOM 931 HZ1 LYS A 406 14.738 3.530 1.227 1.00 87.51 H +ATOM 932 HZ2 LYS A 406 15.084 3.384 -0.379 1.00 87.51 H +ATOM 933 HZ3 LYS A 406 14.301 4.724 0.178 1.00 87.51 H +ATOM 934 N LEU A 407 9.623 -1.929 2.094 1.00 50.01 N +ATOM 935 CA LEU A 407 9.796 -3.382 2.096 1.00 50.06 C +ATOM 936 C LEU A 407 8.605 -4.078 1.425 1.00 54.53 C +ATOM 937 O LEU A 407 8.806 -5.024 0.663 1.00 54.16 O +ATOM 938 CB LEU A 407 9.982 -3.872 3.545 1.00 50.07 C +ATOM 939 CG LEU A 407 10.778 -5.159 3.804 1.00 54.68 C +ATOM 940 CD1 LEU A 407 12.105 -5.187 3.048 1.00 54.75 C +ATOM 941 CD2 LEU A 407 11.069 -5.300 5.277 1.00 57.00 C +ATOM 942 H LEU A 407 9.413 -1.521 2.994 1.00 50.01 H +ATOM 943 HA LEU A 407 10.698 -3.622 1.533 1.00 50.06 H +ATOM 944 HB3 LEU A 407 9.004 -3.957 4.019 1.00 50.07 H +ATOM 945 HB2 LEU A 407 10.408 -3.065 4.141 1.00 50.07 H +ATOM 946 HG LEU A 407 10.177 -6.010 3.485 1.00 54.68 H +ATOM 947 HD11 LEU A 407 12.628 -6.118 3.266 1.00 54.75 H +ATOM 948 HD12 LEU A 407 11.915 -5.120 1.977 1.00 54.75 H +ATOM 949 HD13 LEU A 407 12.720 -4.343 3.361 1.00 54.75 H +ATOM 950 HD21 LEU A 407 11.634 -6.216 5.450 1.00 57.00 H +ATOM 951 HD22 LEU A 407 11.653 -4.444 5.616 1.00 57.00 H +ATOM 952 HD23 LEU A 407 10.131 -5.342 5.831 1.00 57.00 H +ATOM 953 N GLU A 408 7.375 -3.590 1.691 1.00 51.51 N +ATOM 954 CA GLU A 408 6.129 -4.111 1.115 1.00 51.56 C +ATOM 955 C GLU A 408 6.020 -3.761 -0.372 1.00 55.71 C +ATOM 956 O GLU A 408 5.479 -4.549 -1.149 1.00 55.57 O +ATOM 957 CB GLU A 408 4.906 -3.574 1.878 1.00 52.97 C +ATOM 958 CG GLU A 408 4.729 -4.175 3.264 1.00 63.96 C +ATOM 959 CD GLU A 408 3.690 -3.532 4.166 1.00 86.32 C +ATOM 960 OE1 GLU A 408 3.197 -2.428 3.838 1.00 82.49 O +ATOM 961 OE2 GLU A 408 3.388 -4.128 5.225 1.00 81.67 O1- +ATOM 962 H GLU A 408 7.267 -2.812 2.326 1.00 51.51 H +ATOM 963 HA GLU A 408 6.139 -5.197 1.209 1.00 51.56 H +ATOM 964 HB3 GLU A 408 4.006 -3.752 1.289 1.00 52.97 H +ATOM 965 HB2 GLU A 408 4.979 -2.490 1.961 1.00 52.97 H +ATOM 966 HG3 GLU A 408 5.691 -4.185 3.776 1.00 63.96 H +ATOM 967 HG2 GLU A 408 4.512 -5.239 3.168 1.00 63.96 H +ATOM 968 N ALA A 409 6.545 -2.582 -0.761 1.00 52.28 N +ATOM 969 CA ALA A 409 6.551 -2.080 -2.138 1.00 52.11 C +ATOM 970 C ALA A 409 7.720 -2.648 -2.967 1.00 56.02 C +ATOM 971 O ALA A 409 7.834 -2.336 -4.156 1.00 55.68 O +ATOM 972 CB ALA A 409 6.594 -0.558 -2.133 1.00 52.86 C +ATOM 973 H ALA A 409 6.975 -1.972 -0.081 1.00 52.28 H +ATOM 974 HA ALA A 409 5.620 -2.389 -2.613 1.00 52.11 H +ATOM 975 HB1 ALA A 409 6.598 -0.191 -3.159 1.00 52.86 H +ATOM 976 HB2 ALA A 409 5.718 -0.171 -1.613 1.00 52.86 H +ATOM 977 HB3 ALA A 409 7.497 -0.221 -1.623 1.00 52.86 H +ATOM 978 N ARG A 410 8.569 -3.497 -2.334 1.00 52.46 N +ATOM 979 CA ARG A 410 9.748 -4.160 -2.910 1.00 52.18 C +ATOM 980 C ARG A 410 10.761 -3.146 -3.481 1.00 55.41 C +ATOM 981 O ARG A 410 11.313 -3.342 -4.569 1.00 54.96 O +ATOM 982 CB ARG A 410 9.346 -5.251 -3.928 1.00 53.09 C +ATOM 983 CG ARG A 410 8.806 -6.519 -3.267 1.00 64.96 C +ATOM 984 CD ARG A 410 7.825 -7.274 -4.147 1.00 75.25 C +ATOM 985 NE ARG A 410 8.484 -7.975 -5.250 1.00 83.14 N +ATOM 986 CZ ARG A 410 7.872 -8.813 -6.081 1.00 96.57 C +ATOM 987 NH1 ARG A 410 6.577 -9.073 -5.940 1.00 83.70 N +ATOM 988 NH2 ARG A 410 8.549 -9.402 -7.057 1.00 83.13 N1+ +ATOM 989 H ARG A 410 8.419 -3.731 -1.363 1.00 52.46 H +ATOM 990 HA ARG A 410 10.250 -4.671 -2.088 1.00 52.18 H +ATOM 991 HB3 ARG A 410 10.207 -5.504 -4.547 1.00 53.09 H +ATOM 992 HB2 ARG A 410 8.596 -4.851 -4.610 1.00 53.09 H +ATOM 993 HG3 ARG A 410 8.322 -6.259 -2.326 1.00 64.96 H +ATOM 994 HG2 ARG A 410 9.638 -7.174 -3.007 1.00 64.96 H +ATOM 995 HD3 ARG A 410 7.089 -6.578 -4.549 1.00 75.25 H +ATOM 996 HD2 ARG A 410 7.272 -7.991 -3.541 1.00 75.25 H +ATOM 997 HE ARG A 410 9.470 -7.786 -5.359 1.00 83.14 H +ATOM 998 HH12 ARG A 410 6.118 -9.711 -6.575 1.00 83.70 H +ATOM 999 HH11 ARG A 410 6.051 -8.633 -5.198 1.00 83.70 H +ATOM 1000 HH22 ARG A 410 8.079 -10.038 -7.685 1.00 83.13 H +ATOM 1001 HH21 ARG A 410 9.535 -9.215 -7.172 1.00 83.13 H +ATOM 1002 N GLU A 411 11.011 -2.068 -2.711 1.00 51.45 N +ATOM 1003 CA GLU A 411 11.925 -0.980 -3.071 1.00 50.93 C +ATOM 1004 C GLU A 411 13.405 -1.315 -2.816 1.00 53.85 C +ATOM 1005 O GLU A 411 14.280 -0.574 -3.274 1.00 53.66 O +ATOM 1006 CB GLU A 411 11.514 0.341 -2.392 1.00 52.34 C +ATOM 1007 CG GLU A 411 10.244 0.941 -2.978 1.00 63.03 C +ATOM 1008 CD GLU A 411 9.781 2.268 -2.409 1.00 83.10 C +ATOM 1009 OE1 GLU A 411 10.613 3.198 -2.293 1.00 78.48 O +ATOM 1010 OE2 GLU A 411 8.565 2.399 -2.141 1.00 76.45 O1- +ATOM 1011 H GLU A 411 10.554 -1.970 -1.816 1.00 51.45 H +ATOM 1012 HA GLU A 411 11.820 -0.826 -4.145 1.00 50.93 H +ATOM 1013 HB3 GLU A 411 12.328 1.061 -2.478 1.00 52.34 H +ATOM 1014 HB2 GLU A 411 11.375 0.171 -1.324 1.00 52.34 H +ATOM 1015 HG3 GLU A 411 9.435 0.215 -2.898 1.00 63.03 H +ATOM 1016 HG2 GLU A 411 10.357 1.034 -4.058 1.00 63.03 H +ATOM 1017 N TYR A 412 13.683 -2.435 -2.113 1.00 49.37 N +ATOM 1018 CA TYR A 412 15.047 -2.892 -1.838 1.00 48.64 C +ATOM 1019 C TYR A 412 15.369 -4.116 -2.696 1.00 52.09 C +ATOM 1020 O TYR A 412 14.614 -5.092 -2.683 1.00 51.60 O +ATOM 1021 CB TYR A 412 15.256 -3.220 -0.342 1.00 49.35 C +ATOM 1022 CG TYR A 412 14.844 -2.132 0.628 1.00 50.23 C +ATOM 1023 CD1 TYR A 412 15.562 -0.943 0.722 1.00 51.96 C +ATOM 1024 CD2 TYR A 412 13.780 -2.321 1.504 1.00 50.72 C +ATOM 1025 CE1 TYR A 412 15.204 0.048 1.633 1.00 52.32 C +ATOM 1026 CE2 TYR A 412 13.416 -1.340 2.425 1.00 51.45 C +ATOM 1027 CZ TYR A 412 14.129 -0.154 2.483 1.00 57.96 C +ATOM 1028 OH TYR A 412 13.769 0.820 3.382 1.00 57.91 O +ATOM 1029 H TYR A 412 12.931 -3.002 -1.749 1.00 49.37 H +ATOM 1030 HA TYR A 412 15.736 -2.093 -2.111 1.00 48.64 H +ATOM 1031 HB3 TYR A 412 16.302 -3.477 -0.172 1.00 49.35 H +ATOM 1032 HB2 TYR A 412 14.725 -4.140 -0.098 1.00 49.35 H +ATOM 1033 HD1 TYR A 412 16.415 -0.775 0.081 1.00 51.96 H +ATOM 1034 HD2 TYR A 412 13.217 -3.242 1.479 1.00 50.72 H +ATOM 1035 HE1 TYR A 412 15.764 0.971 1.675 1.00 52.32 H +ATOM 1036 HE2 TYR A 412 12.581 -1.506 3.090 1.00 51.45 H +ATOM 1037 HH TYR A 412 14.278 1.616 3.213 1.00 57.91 H +ATOM 1038 N ARG A 413 16.485 -4.054 -3.448 1.00 48.32 N +ATOM 1039 CA ARG A 413 16.945 -5.141 -4.319 1.00 47.94 C +ATOM 1040 C ARG A 413 17.497 -6.307 -3.501 1.00 51.32 C +ATOM 1041 O ARG A 413 17.257 -7.466 -3.843 1.00 51.04 O +ATOM 1042 CB ARG A 413 18.012 -4.642 -5.306 1.00 48.31 C +ATOM 1043 CG ARG A 413 17.461 -3.811 -6.455 1.00 58.78 C +ATOM 1044 CD ARG A 413 18.514 -3.572 -7.520 1.00 70.82 C +ATOM 1045 NE ARG A 413 18.672 -4.725 -8.409 1.00 82.27 N +ATOM 1046 CZ ARG A 413 19.573 -4.806 -9.384 1.00 98.14 C +ATOM 1047 NH1 ARG A 413 20.413 -3.801 -9.608 1.00 85.29 N +ATOM 1048 NH2 ARG A 413 19.644 -5.892 -10.141 1.00 85.97 N1+ +ATOM 1049 H ARG A 413 17.059 -3.223 -3.432 1.00 48.32 H +ATOM 1050 HA ARG A 413 16.092 -5.502 -4.893 1.00 47.94 H +ATOM 1051 HB3 ARG A 413 18.560 -5.495 -5.707 1.00 48.31 H +ATOM 1052 HB2 ARG A 413 18.760 -4.061 -4.766 1.00 48.31 H +ATOM 1053 HG3 ARG A 413 17.107 -2.853 -6.073 1.00 58.78 H +ATOM 1054 HG2 ARG A 413 16.608 -4.325 -6.898 1.00 58.78 H +ATOM 1055 HD3 ARG A 413 19.468 -3.349 -7.043 1.00 70.82 H +ATOM 1056 HD2 ARG A 413 18.242 -2.695 -8.108 1.00 70.82 H +ATOM 1057 HE ARG A 413 18.038 -5.493 -8.243 1.00 82.27 H +ATOM 1058 HH12 ARG A 413 21.095 -3.869 -10.350 1.00 85.29 H +ATOM 1059 HH11 ARG A 413 20.370 -2.970 -9.036 1.00 85.29 H +ATOM 1060 HH22 ARG A 413 20.330 -5.948 -10.880 1.00 85.97 H +ATOM 1061 HH21 ARG A 413 19.012 -6.663 -9.979 1.00 85.97 H +ATOM 1062 N ASP A 414 18.238 -5.991 -2.424 1.00 47.13 N +ATOM 1063 CA ASP A 414 18.858 -6.962 -1.523 1.00 46.45 C +ATOM 1064 C ASP A 414 18.772 -6.518 -0.058 1.00 48.89 C +ATOM 1065 O ASP A 414 18.284 -5.421 0.225 1.00 48.54 O +ATOM 1066 CB ASP A 414 20.322 -7.239 -1.941 1.00 48.32 C +ATOM 1067 CG ASP A 414 21.158 -6.026 -2.323 1.00 58.57 C +ATOM 1068 OD1 ASP A 414 21.048 -4.984 -1.638 1.00 59.21 O +ATOM 1069 OD2 ASP A 414 21.955 -6.134 -3.279 1.00 64.67 O1- +ATOM 1070 H ASP A 414 18.400 -5.022 -2.189 1.00 47.13 H +ATOM 1071 HA ASP A 414 18.306 -7.897 -1.617 1.00 46.45 H +ATOM 1072 HB3 ASP A 414 20.331 -7.955 -2.763 1.00 48.32 H +ATOM 1073 HB2 ASP A 414 20.826 -7.786 -1.144 1.00 48.32 H +ATOM 1074 N ALA A 415 19.255 -7.374 0.868 1.00 44.24 N +ATOM 1075 CA ALA A 415 19.285 -7.125 2.312 1.00 43.45 C +ATOM 1076 C ALA A 415 20.163 -5.921 2.672 1.00 45.81 C +ATOM 1077 O ALA A 415 19.880 -5.238 3.656 1.00 44.99 O +ATOM 1078 CB ALA A 415 19.772 -8.365 3.042 1.00 44.21 C +ATOM 1079 H ALA A 415 19.634 -8.266 0.583 1.00 44.24 H +ATOM 1080 HA ALA A 415 18.268 -6.914 2.642 1.00 43.45 H +ATOM 1081 HB1 ALA A 415 19.791 -8.172 4.115 1.00 44.21 H +ATOM 1082 HB2 ALA A 415 19.099 -9.197 2.835 1.00 44.21 H +ATOM 1083 HB3 ALA A 415 20.776 -8.617 2.701 1.00 44.21 H +ATOM 1084 N GLN A 416 21.215 -5.659 1.863 1.00 41.89 N +ATOM 1085 CA GLN A 416 22.146 -4.541 2.031 1.00 41.53 C +ATOM 1086 C GLN A 416 21.446 -3.186 1.875 1.00 45.12 C +ATOM 1087 O GLN A 416 21.779 -2.249 2.601 1.00 44.78 O +ATOM 1088 CB GLN A 416 23.311 -4.658 1.053 1.00 0.00 C +ATOM 1089 CG GLN A 416 24.428 -3.604 1.135 1.00 0.00 C +ATOM 1090 CD GLN A 416 25.542 -3.773 0.112 1.00 0.00 C +ATOM 1091 OE1 GLN A 416 25.375 -3.475 -1.066 1.00 0.00 O +ATOM 1092 NE2 GLN A 416 26.697 -4.265 0.551 1.00 0.00 N +ATOM 1093 H GLN A 416 21.405 -6.258 1.072 1.00 41.89 H +ATOM 1094 HA GLN A 416 22.552 -4.593 3.041 1.00 41.53 H +ATOM 1095 HB2 GLN A 416 23.813 -5.615 1.197 1.00 0.00 H +ATOM 1096 HB3 GLN A 416 22.936 -4.596 0.031 1.00 0.00 H +ATOM 1097 HG2 GLN A 416 24.005 -2.612 0.976 1.00 0.00 H +ATOM 1098 HG3 GLN A 416 24.896 -3.645 2.118 1.00 0.00 H +ATOM 1099 HE22 GLN A 416 27.466 -4.395 -0.091 1.00 0.00 H +ATOM 1100 HE21 GLN A 416 26.805 -4.507 1.525 1.00 0.00 H +ATOM 1101 N GLU A 417 20.474 -3.090 0.941 1.00 41.15 N +ATOM 1102 CA GLU A 417 19.696 -1.871 0.695 1.00 40.69 C +ATOM 1103 C GLU A 417 18.765 -1.563 1.868 1.00 43.88 C +ATOM 1104 O GLU A 417 18.566 -0.391 2.194 1.00 43.64 O +ATOM 1105 CB GLU A 417 18.925 -1.959 -0.629 1.00 42.07 C +ATOM 1106 CG GLU A 417 19.777 -1.596 -1.836 1.00 51.73 C +ATOM 1107 CD GLU A 417 19.125 -1.717 -3.202 1.00 69.39 C +ATOM 1108 OE1 GLU A 417 17.884 -1.578 -3.298 1.00 60.63 O +ATOM 1109 OE2 GLU A 417 19.870 -1.914 -4.189 1.00 64.17 O1- +ATOM 1110 H GLU A 417 20.248 -3.887 0.364 1.00 41.15 H +ATOM 1111 HA GLU A 417 20.401 -1.044 0.610 1.00 40.69 H +ATOM 1112 HB3 GLU A 417 18.057 -1.301 -0.587 1.00 42.07 H +ATOM 1113 HB2 GLU A 417 18.533 -2.968 -0.753 1.00 42.07 H +ATOM 1114 HG3 GLU A 417 20.691 -2.190 -1.821 1.00 51.73 H +ATOM 1115 HG2 GLU A 417 20.163 -0.584 -1.711 1.00 51.73 H +ATOM 1116 N PHE A 418 18.209 -2.618 2.507 1.00 39.67 N +ATOM 1117 CA PHE A 418 17.354 -2.524 3.695 1.00 39.02 C +ATOM 1118 C PHE A 418 18.214 -1.998 4.853 1.00 41.84 C +ATOM 1119 O PHE A 418 17.822 -1.040 5.521 1.00 41.29 O +ATOM 1120 CB PHE A 418 16.745 -3.905 4.035 1.00 40.72 C +ATOM 1121 CG PHE A 418 16.182 -4.065 5.432 1.00 42.16 C +ATOM 1122 CD1 PHE A 418 14.859 -3.742 5.707 1.00 45.16 C +ATOM 1123 CD2 PHE A 418 16.967 -4.568 6.464 1.00 44.09 C +ATOM 1124 CE1 PHE A 418 14.336 -3.905 6.994 1.00 46.04 C +ATOM 1125 CE2 PHE A 418 16.445 -4.727 7.751 1.00 46.89 C +ATOM 1126 CZ PHE A 418 15.134 -4.390 8.008 1.00 45.06 C +ATOM 1127 H PHE A 418 18.372 -3.556 2.170 1.00 39.67 H +ATOM 1128 HA PHE A 418 16.548 -1.817 3.499 1.00 39.02 H +ATOM 1129 HB3 PHE A 418 17.491 -4.680 3.857 1.00 40.72 H +ATOM 1130 HB2 PHE A 418 15.971 -4.146 3.306 1.00 40.72 H +ATOM 1131 HD1 PHE A 418 14.222 -3.360 4.923 1.00 45.16 H +ATOM 1132 HD2 PHE A 418 17.995 -4.842 6.277 1.00 44.09 H +ATOM 1133 HE1 PHE A 418 13.306 -3.651 7.194 1.00 46.04 H +ATOM 1134 HE2 PHE A 418 17.069 -5.114 8.543 1.00 46.89 H +ATOM 1135 HZ PHE A 418 14.732 -4.506 9.004 1.00 45.06 H +ATOM 1136 N GLY A 419 19.380 -2.624 5.044 1.00 37.51 N +ATOM 1137 CA GLY A 419 20.360 -2.271 6.066 1.00 36.79 C +ATOM 1138 C GLY A 419 20.897 -0.862 5.920 1.00 39.24 C +ATOM 1139 O GLY A 419 21.227 -0.226 6.923 1.00 38.67 O +ATOM 1140 H GLY A 419 19.636 -3.404 4.456 1.00 37.51 H +ATOM 1141 HA3 GLY A 419 21.188 -2.979 6.033 1.00 36.79 H +ATOM 1142 HA2 GLY A 419 19.912 -2.387 7.053 1.00 36.79 H +ATOM 1143 N ALA A 420 20.967 -0.359 4.665 1.00 34.93 N +ATOM 1144 CA ALA A 420 21.424 0.994 4.336 1.00 34.29 C +ATOM 1145 C ALA A 420 20.446 2.047 4.861 1.00 36.78 C +ATOM 1146 O ALA A 420 20.888 3.080 5.363 1.00 36.39 O +ATOM 1147 CB ALA A 420 21.603 1.140 2.833 1.00 35.07 C +ATOM 1148 H ALA A 420 20.693 -0.928 3.877 1.00 34.93 H +ATOM 1149 HA ALA A 420 22.390 1.155 4.814 1.00 34.29 H +ATOM 1150 HB1 ALA A 420 21.943 2.150 2.603 1.00 35.07 H +ATOM 1151 HB2 ALA A 420 22.343 0.420 2.483 1.00 35.07 H +ATOM 1152 HB3 ALA A 420 20.652 0.955 2.334 1.00 35.07 H +ATOM 1153 N ASP A 421 19.125 1.772 4.768 1.00 32.39 N +ATOM 1154 CA ASP A 421 18.064 2.656 5.259 1.00 31.82 C +ATOM 1155 C ASP A 421 17.954 2.601 6.783 1.00 34.97 C +ATOM 1156 O ASP A 421 17.697 3.632 7.405 1.00 34.74 O +ATOM 1157 CB ASP A 421 16.712 2.330 4.599 1.00 33.52 C +ATOM 1158 CG ASP A 421 16.356 3.174 3.381 1.00 41.84 C +ATOM 1159 OD1 ASP A 421 17.242 3.906 2.878 1.00 42.26 O +ATOM 1160 OD2 ASP A 421 15.198 3.093 2.924 1.00 46.09 O1- +ATOM 1161 H ASP A 421 18.817 0.911 4.338 1.00 32.39 H +ATOM 1162 HA ASP A 421 18.329 3.677 4.983 1.00 31.82 H +ATOM 1163 HB3 ASP A 421 15.919 2.417 5.341 1.00 33.52 H +ATOM 1164 HB2 ASP A 421 16.690 1.275 4.325 1.00 33.52 H +ATOM 1165 N VAL A 422 18.154 1.406 7.382 1.00 30.73 N +ATOM 1166 CA VAL A 422 18.124 1.219 8.838 1.00 30.24 C +ATOM 1167 C VAL A 422 19.300 2.000 9.456 1.00 33.18 C +ATOM 1168 O VAL A 422 19.100 2.737 10.422 1.00 32.81 O +ATOM 1169 CB VAL A 422 18.102 -0.280 9.260 1.00 34.09 C +ATOM 1170 CG1 VAL A 422 18.179 -0.433 10.776 1.00 33.90 C +ATOM 1171 CG2 VAL A 422 16.858 -0.986 8.728 1.00 33.90 C +ATOM 1172 H VAL A 422 18.335 0.585 6.823 1.00 30.73 H +ATOM 1173 HA VAL A 422 17.204 1.673 9.205 1.00 30.24 H +ATOM 1174 HB VAL A 422 18.977 -0.765 8.827 1.00 34.09 H +ATOM 1175 HG11 VAL A 422 18.161 -1.491 11.036 1.00 33.90 H +ATOM 1176 HG12 VAL A 422 19.103 0.015 11.140 1.00 33.90 H +ATOM 1177 HG13 VAL A 422 17.327 0.068 11.236 1.00 33.90 H +ATOM 1178 HG21 VAL A 422 16.871 -2.031 9.039 1.00 33.90 H +ATOM 1179 HG22 VAL A 422 15.966 -0.501 9.125 1.00 33.90 H +ATOM 1180 HG23 VAL A 422 16.846 -0.932 7.639 1.00 33.90 H +ATOM 1181 N ARG A 423 20.503 1.881 8.859 1.00 29.24 N +ATOM 1182 CA ARG A 423 21.698 2.596 9.314 1.00 29.01 C +ATOM 1183 C ARG A 423 21.591 4.104 9.090 1.00 32.56 C +ATOM 1184 O ARG A 423 22.121 4.862 9.901 1.00 32.10 O +ATOM 1185 CB ARG A 423 22.977 2.016 8.699 1.00 28.93 C +ATOM 1186 CG ARG A 423 23.470 0.787 9.448 1.00 37.43 C +ATOM 1187 CD ARG A 423 24.231 -0.154 8.546 1.00 42.95 C +ATOM 1188 NE ARG A 423 24.537 -1.417 9.216 1.00 44.82 N +ATOM 1189 CZ ARG A 423 24.976 -2.506 8.595 1.00 54.78 C +ATOM 1190 NH1 ARG A 423 25.163 -2.499 7.280 1.00 40.65 N +ATOM 1191 NH2 ARG A 423 25.226 -3.612 9.281 1.00 40.12 N1+ +ATOM 1192 H ARG A 423 20.611 1.276 8.058 1.00 29.24 H +ATOM 1193 HA ARG A 423 21.767 2.441 10.391 1.00 29.01 H +ATOM 1194 HB3 ARG A 423 23.757 2.778 8.699 1.00 28.93 H +ATOM 1195 HB2 ARG A 423 22.792 1.755 7.657 1.00 28.93 H +ATOM 1196 HG3 ARG A 423 22.620 0.263 9.884 1.00 37.43 H +ATOM 1197 HG2 ARG A 423 24.112 1.098 10.272 1.00 37.43 H +ATOM 1198 HD3 ARG A 423 25.159 0.321 8.226 1.00 42.95 H +ATOM 1199 HD2 ARG A 423 23.643 -0.352 7.650 1.00 42.95 H +ATOM 1200 HE ARG A 423 24.395 -1.429 10.216 1.00 44.82 H +ATOM 1201 HH12 ARG A 423 25.497 -3.330 6.813 1.00 40.65 H +ATOM 1202 HH11 ARG A 423 24.971 -1.663 6.747 1.00 40.65 H +ATOM 1203 HH22 ARG A 423 25.560 -4.437 8.804 1.00 40.12 H +ATOM 1204 HH21 ARG A 423 25.083 -3.629 10.281 1.00 40.12 H +ATOM 1205 N LEU A 424 20.871 4.536 8.022 1.00 28.75 N +ATOM 1206 CA LEU A 424 20.614 5.950 7.715 1.00 28.40 C +ATOM 1207 C LEU A 424 19.768 6.560 8.841 1.00 31.35 C +ATOM 1208 O LEU A 424 20.062 7.667 9.289 1.00 31.02 O +ATOM 1209 CB LEU A 424 19.908 6.100 6.344 1.00 28.53 C +ATOM 1210 CG LEU A 424 19.364 7.490 5.942 1.00 33.31 C +ATOM 1211 CD1 LEU A 424 20.487 8.494 5.702 1.00 33.44 C +ATOM 1212 CD2 LEU A 424 18.490 7.392 4.706 1.00 35.96 C +ATOM 1213 H LEU A 424 20.473 3.868 7.378 1.00 28.75 H +ATOM 1214 HA LEU A 424 21.568 6.475 7.674 1.00 28.40 H +ATOM 1215 HB3 LEU A 424 19.102 5.369 6.276 1.00 28.53 H +ATOM 1216 HB2 LEU A 424 20.572 5.737 5.560 1.00 28.53 H +ATOM 1217 HG LEU A 424 18.749 7.861 6.762 1.00 33.31 H +ATOM 1218 HD11 LEU A 424 20.060 9.457 5.422 1.00 33.44 H +ATOM 1219 HD12 LEU A 424 21.074 8.608 6.613 1.00 33.44 H +ATOM 1220 HD13 LEU A 424 21.131 8.135 4.899 1.00 33.44 H +ATOM 1221 HD21 LEU A 424 18.119 8.383 4.443 1.00 35.96 H +ATOM 1222 HD22 LEU A 424 19.075 6.992 3.878 1.00 35.96 H +ATOM 1223 HD23 LEU A 424 17.647 6.731 4.908 1.00 35.96 H +ATOM 1224 N MET A 425 18.748 5.809 9.316 1.00 27.31 N +ATOM 1225 CA MET A 425 17.849 6.182 10.411 1.00 26.90 C +ATOM 1226 C MET A 425 18.653 6.447 11.698 1.00 30.37 C +ATOM 1227 O MET A 425 18.419 7.463 12.355 1.00 29.91 O +ATOM 1228 CB MET A 425 16.782 5.087 10.611 1.00 29.15 C +ATOM 1229 CG MET A 425 15.872 5.299 11.807 1.00 32.63 C +ATOM 1230 SD MET A 425 14.741 3.914 12.080 1.00 36.68 S +ATOM 1231 CE MET A 425 15.851 2.706 12.773 1.00 33.31 C +ATOM 1232 H MET A 425 18.554 4.905 8.909 1.00 27.31 H +ATOM 1233 HA MET A 425 17.340 7.105 10.133 1.00 26.90 H +ATOM 1234 HB3 MET A 425 17.272 4.117 10.698 1.00 29.15 H +ATOM 1235 HB2 MET A 425 16.177 5.003 9.708 1.00 29.15 H +ATOM 1236 HG3 MET A 425 15.297 6.214 11.667 1.00 32.63 H +ATOM 1237 HG2 MET A 425 16.478 5.454 12.700 1.00 32.63 H +ATOM 1238 HE1 MET A 425 15.301 1.792 12.996 1.00 33.31 H +ATOM 1239 HE2 MET A 425 16.643 2.487 12.057 1.00 33.31 H +ATOM 1240 HE3 MET A 425 16.289 3.099 13.691 1.00 33.31 H +ATOM 1241 N PHE A 426 19.622 5.565 12.024 1.00 26.70 N +ATOM 1242 CA PHE A 426 20.478 5.721 13.202 1.00 26.31 C +ATOM 1243 C PHE A 426 21.498 6.842 13.023 1.00 30.11 C +ATOM 1244 O PHE A 426 21.668 7.649 13.938 1.00 30.00 O +ATOM 1245 CB PHE A 426 21.162 4.400 13.591 1.00 28.04 C +ATOM 1246 CG PHE A 426 20.222 3.302 14.035 1.00 29.57 C +ATOM 1247 CD1 PHE A 426 19.352 3.496 15.104 1.00 32.51 C +ATOM 1248 CD2 PHE A 426 20.242 2.058 13.419 1.00 31.63 C +ATOM 1249 CE1 PHE A 426 18.487 2.479 15.515 1.00 33.37 C +ATOM 1250 CE2 PHE A 426 19.386 1.038 13.842 1.00 34.41 C +ATOM 1251 CZ PHE A 426 18.510 1.257 14.882 1.00 32.44 C +ATOM 1252 H PHE A 426 19.782 4.754 11.444 1.00 26.70 H +ATOM 1253 HA PHE A 426 19.832 6.005 14.033 1.00 26.31 H +ATOM 1254 HB3 PHE A 426 21.892 4.590 14.378 1.00 28.04 H +ATOM 1255 HB2 PHE A 426 21.762 4.044 12.753 1.00 28.04 H +ATOM 1256 HD1 PHE A 426 19.340 4.441 15.626 1.00 32.51 H +ATOM 1257 HD2 PHE A 426 20.924 1.870 12.603 1.00 31.63 H +ATOM 1258 HE1 PHE A 426 17.800 2.651 16.330 1.00 33.37 H +ATOM 1259 HE2 PHE A 426 19.410 0.075 13.353 1.00 34.41 H +ATOM 1260 HZ PHE A 426 17.842 0.471 15.201 1.00 32.44 H +ATOM 1261 N SER A 427 22.147 6.914 11.839 1.00 26.20 N +ATOM 1262 CA SER A 427 23.139 7.942 11.502 1.00 25.81 C +ATOM 1263 C SER A 427 22.564 9.357 11.576 1.00 29.12 C +ATOM 1264 O SER A 427 23.266 10.262 12.021 1.00 28.72 O +ATOM 1265 CB SER A 427 23.748 7.683 10.129 1.00 29.39 C +ATOM 1266 OG SER A 427 24.470 6.463 10.123 1.00 38.20 O +ATOM 1267 H SER A 427 21.960 6.232 11.118 1.00 26.20 H +ATOM 1268 HA SER A 427 23.943 7.876 12.235 1.00 25.81 H +ATOM 1269 HB3 SER A 427 24.418 8.502 9.869 1.00 29.39 H +ATOM 1270 HB2 SER A 427 22.955 7.639 9.383 1.00 29.39 H +ATOM 1271 HG SER A 427 23.878 5.739 10.341 1.00 38.20 H +ATOM 1272 N ASN A 428 21.287 9.537 11.176 1.00 25.52 N +ATOM 1273 CA ASN A 428 20.588 10.826 11.241 1.00 25.46 C +ATOM 1274 C ASN A 428 20.391 11.262 12.695 1.00 29.72 C +ATOM 1275 O ASN A 428 20.521 12.449 13.002 1.00 29.40 O +ATOM 1276 CB ASN A 428 19.235 10.758 10.525 1.00 25.29 C +ATOM 1277 CG ASN A 428 19.306 10.638 9.021 1.00 39.50 C +ATOM 1278 OD1 ASN A 428 20.250 11.092 8.363 1.00 31.61 O +ATOM 1279 ND2 ASN A 428 18.269 10.060 8.437 1.00 30.41 N +ATOM 1280 H ASN A 428 20.759 8.759 10.807 1.00 25.52 H +ATOM 1281 HA ASN A 428 21.203 11.574 10.740 1.00 25.46 H +ATOM 1282 HB3 ASN A 428 18.643 11.634 10.789 1.00 25.29 H +ATOM 1283 HB2 ASN A 428 18.657 9.926 10.926 1.00 25.29 H +ATOM 1284 HD22 ASN A 428 18.252 9.948 7.433 1.00 30.41 H +ATOM 1285 HD21 ASN A 428 17.494 9.731 8.995 1.00 30.41 H +ATOM 1286 N CYS A 429 20.090 10.295 13.585 1.00 26.56 N +ATOM 1287 CA CYS A 429 19.898 10.524 15.017 1.00 26.52 C +ATOM 1288 C CYS A 429 21.223 10.938 15.671 1.00 30.63 C +ATOM 1289 O CYS A 429 21.233 11.869 16.475 1.00 30.17 O +ATOM 1290 CB CYS A 429 19.295 9.291 15.686 1.00 26.71 C +ATOM 1291 SG CYS A 429 18.959 9.490 17.454 1.00 30.55 S +ATOM 1292 H CYS A 429 19.983 9.339 13.276 1.00 26.56 H +ATOM 1293 HA CYS A 429 19.194 11.348 15.134 1.00 26.52 H +ATOM 1294 HB3 CYS A 429 19.959 8.439 15.538 1.00 26.71 H +ATOM 1295 HB2 CYS A 429 18.374 9.015 15.172 1.00 26.71 H +ATOM 1296 HG CYS A 429 18.436 8.360 17.939 1.00 30.55 H +ATOM 1297 N TYR A 430 22.338 10.278 15.292 1.00 27.65 N +ATOM 1298 CA TYR A 430 23.676 10.580 15.814 1.00 27.63 C +ATOM 1299 C TYR A 430 24.212 11.923 15.313 1.00 31.65 C +ATOM 1300 O TYR A 430 24.960 12.584 16.034 1.00 31.06 O +ATOM 1301 CB TYR A 430 24.680 9.457 15.486 1.00 28.64 C +ATOM 1302 CG TYR A 430 24.279 8.070 15.948 1.00 30.17 C +ATOM 1303 CD1 TYR A 430 23.725 7.865 17.209 1.00 32.07 C +ATOM 1304 CD2 TYR A 430 24.539 6.952 15.161 1.00 30.86 C +ATOM 1305 CE1 TYR A 430 23.374 6.589 17.646 1.00 32.58 C +ATOM 1306 CE2 TYR A 430 24.192 5.671 15.588 1.00 31.67 C +ATOM 1307 CZ TYR A 430 23.609 5.494 16.832 1.00 38.31 C +ATOM 1308 OH TYR A 430 23.269 4.235 17.262 1.00 38.98 O +ATOM 1309 H TYR A 430 22.277 9.532 14.614 1.00 27.65 H +ATOM 1310 HA TYR A 430 23.598 10.643 16.899 1.00 27.63 H +ATOM 1311 HB3 TYR A 430 25.653 9.710 15.907 1.00 28.64 H +ATOM 1312 HB2 TYR A 430 24.863 9.440 14.412 1.00 28.64 H +ATOM 1313 HD1 TYR A 430 23.560 8.704 17.869 1.00 32.07 H +ATOM 1314 HD2 TYR A 430 25.018 7.068 14.200 1.00 30.86 H +ATOM 1315 HE1 TYR A 430 22.920 6.457 18.617 1.00 32.58 H +ATOM 1316 HE2 TYR A 430 24.378 4.820 14.949 1.00 31.67 H +ATOM 1317 HH TYR A 430 23.412 3.604 16.552 1.00 38.98 H +ATOM 1318 N LYS A 431 23.840 12.318 14.082 1.00 28.50 N +ATOM 1319 CA LYS A 431 24.279 13.570 13.465 1.00 28.61 C +ATOM 1320 C LYS A 431 23.592 14.797 14.075 1.00 33.49 C +ATOM 1321 O LYS A 431 24.278 15.733 14.486 1.00 33.04 O +ATOM 1322 CB LYS A 431 24.060 13.526 11.938 1.00 30.84 C +ATOM 1323 CG LYS A 431 24.659 14.707 11.176 1.00 40.01 C +ATOM 1324 CD LYS A 431 24.267 14.675 9.705 1.00 47.72 C +ATOM 1325 CE LYS A 431 24.814 15.849 8.927 1.00 55.56 C +ATOM 1326 NZ LYS A 431 26.266 15.703 8.637 1.00 62.09 N1+ +ATOM 1327 H LYS A 431 23.224 11.738 13.530 1.00 28.50 H +ATOM 1328 HA LYS A 431 25.350 13.668 13.643 1.00 28.61 H +ATOM 1329 HB3 LYS A 431 22.992 13.465 11.728 1.00 30.84 H +ATOM 1330 HB2 LYS A 431 24.468 12.596 11.541 1.00 30.84 H +ATOM 1331 HG3 LYS A 431 25.745 14.681 11.263 1.00 40.01 H +ATOM 1332 HG2 LYS A 431 24.314 15.639 11.623 1.00 40.01 H +ATOM 1333 HD3 LYS A 431 23.180 14.659 9.620 1.00 47.72 H +ATOM 1334 HD2 LYS A 431 24.620 13.747 9.256 1.00 47.72 H +ATOM 1335 HE3 LYS A 431 24.647 16.767 9.491 1.00 55.56 H +ATOM 1336 HE2 LYS A 431 24.266 15.950 7.990 1.00 55.56 H +ATOM 1337 HZ1 LYS A 431 26.418 14.867 8.091 1.00 62.09 H +ATOM 1338 HZ2 LYS A 431 26.589 16.507 8.118 1.00 62.09 H +ATOM 1339 HZ3 LYS A 431 26.778 15.636 9.505 1.00 62.09 H +ATOM 1340 N TYR A 432 22.247 14.796 14.109 1.00 31.18 N +ATOM 1341 CA TYR A 432 21.442 15.922 14.578 1.00 31.55 C +ATOM 1342 C TYR A 432 21.517 16.191 16.090 1.00 35.94 C +ATOM 1343 O TYR A 432 21.943 17.275 16.489 1.00 35.77 O +ATOM 1344 CB TYR A 432 19.973 15.776 14.123 1.00 32.82 C +ATOM 1345 CG TYR A 432 19.102 16.933 14.559 1.00 34.88 C +ATOM 1346 CD1 TYR A 432 19.187 18.172 13.930 1.00 36.82 C +ATOM 1347 CD2 TYR A 432 18.219 16.803 15.628 1.00 35.74 C +ATOM 1348 CE1 TYR A 432 18.422 19.254 14.356 1.00 37.53 C +ATOM 1349 CE2 TYR A 432 17.444 17.878 16.060 1.00 36.72 C +ATOM 1350 CZ TYR A 432 17.545 19.101 15.417 1.00 44.20 C +ATOM 1351 OH TYR A 432 16.782 20.162 15.833 1.00 45.95 O +ATOM 1352 H TYR A 432 21.735 13.983 13.798 1.00 31.18 H +ATOM 1353 HA TYR A 432 21.834 16.811 14.084 1.00 31.55 H +ATOM 1354 HB3 TYR A 432 19.563 14.846 14.516 1.00 32.82 H +ATOM 1355 HB2 TYR A 432 19.938 15.685 13.037 1.00 32.82 H +ATOM 1356 HD1 TYR A 432 19.857 18.308 13.094 1.00 36.82 H +ATOM 1357 HD2 TYR A 432 18.125 15.856 16.139 1.00 35.74 H +ATOM 1358 HE1 TYR A 432 18.513 20.209 13.860 1.00 37.53 H +ATOM 1359 HE2 TYR A 432 16.768 17.756 16.893 1.00 36.72 H +ATOM 1360 HH TYR A 432 17.060 20.957 15.372 1.00 45.95 H +ATOM 1361 N ASN A 433 21.048 15.240 16.912 1.00 32.68 N +ATOM 1362 CA ASN A 433 20.950 15.359 18.370 1.00 32.41 C +ATOM 1363 C ASN A 433 22.302 15.442 19.098 1.00 36.52 C +ATOM 1364 O ASN A 433 23.285 14.916 18.576 1.00 35.65 O +ATOM 1365 CB ASN A 433 20.116 14.204 18.929 1.00 31.51 C +ATOM 1366 CG ASN A 433 18.778 14.060 18.262 1.00 45.72 C +ATOM 1367 OD1 ASN A 433 17.809 14.745 18.598 1.00 37.78 O +ATOM 1368 ND2 ASN A 433 18.703 13.163 17.298 1.00 35.96 N +ATOM 1369 H ASN A 433 20.728 14.359 16.535 1.00 32.68 H +ATOM 1370 HA ASN A 433 20.410 16.281 18.584 1.00 32.41 H +ATOM 1371 HB3 ASN A 433 19.973 14.346 20.000 1.00 31.51 H +ATOM 1372 HB2 ASN A 433 20.673 13.273 18.827 1.00 31.51 H +ATOM 1373 HD22 ASN A 433 17.831 13.018 16.810 1.00 35.96 H +ATOM 1374 HD21 ASN A 433 19.518 12.621 17.048 1.00 35.96 H +ATOM 1375 N PRO A 434 22.373 16.065 20.310 1.00 33.63 N +ATOM 1376 CA PRO A 434 23.655 16.108 21.043 1.00 33.65 C +ATOM 1377 C PRO A 434 24.114 14.710 21.484 1.00 38.31 C +ATOM 1378 O PRO A 434 23.256 13.863 21.731 1.00 37.72 O +ATOM 1379 CB PRO A 434 23.345 16.999 22.257 1.00 35.35 C +ATOM 1380 CG PRO A 434 22.072 17.705 21.925 1.00 39.62 C +ATOM 1381 CD PRO A 434 21.309 16.745 21.077 1.00 35.17 C +ATOM 1382 HA PRO A 434 24.422 16.574 20.425 1.00 33.65 H +ATOM 1383 HB3 PRO A 434 24.143 17.731 22.382 1.00 35.35 H +ATOM 1384 HB2 PRO A 434 23.193 16.373 23.136 1.00 35.35 H +ATOM 1385 HG3 PRO A 434 22.296 18.600 21.345 1.00 39.62 H +ATOM 1386 HG2 PRO A 434 21.516 17.898 22.842 1.00 39.62 H +ATOM 1387 HD2 PRO A 434 20.808 16.019 21.718 1.00 35.17 H +ATOM 1388 HD3 PRO A 434 20.670 17.301 20.391 1.00 35.17 H +ATOM 1389 N PRO A 435 25.440 14.437 21.594 1.00 35.81 N +ATOM 1390 CA PRO A 435 25.893 13.080 21.978 1.00 36.00 C +ATOM 1391 C PRO A 435 25.399 12.549 23.325 1.00 40.83 C +ATOM 1392 O PRO A 435 25.271 11.335 23.491 1.00 40.59 O +ATOM 1393 CB PRO A 435 27.423 13.191 21.954 1.00 37.70 C +ATOM 1394 CG PRO A 435 27.712 14.651 22.048 1.00 42.02 C +ATOM 1395 CD PRO A 435 26.592 15.319 21.317 1.00 37.46 C +ATOM 1396 HA PRO A 435 25.586 12.382 21.199 1.00 36.00 H +ATOM 1397 HB3 PRO A 435 27.798 12.808 21.005 1.00 37.70 H +ATOM 1398 HB2 PRO A 435 27.836 12.684 22.826 1.00 37.70 H +ATOM 1399 HG3 PRO A 435 28.653 14.867 21.542 1.00 42.02 H +ATOM 1400 HG2 PRO A 435 27.694 14.956 23.094 1.00 42.02 H +ATOM 1401 HD2 PRO A 435 26.409 16.299 21.758 1.00 37.46 H +ATOM 1402 HD3 PRO A 435 26.804 15.309 20.248 1.00 37.46 H +ATOM 1403 N ASP A 436 25.128 13.456 24.274 1.00 37.84 N +ATOM 1404 CA ASP A 436 24.667 13.154 25.631 1.00 37.86 C +ATOM 1405 C ASP A 436 23.147 12.956 25.741 1.00 40.85 C +ATOM 1406 O ASP A 436 22.671 12.504 26.786 1.00 40.52 O +ATOM 1407 CB ASP A 436 25.133 14.261 26.595 1.00 40.14 C +ATOM 1408 CG ASP A 436 24.775 15.658 26.123 1.00 53.49 C +ATOM 1409 OD1 ASP A 436 25.532 16.217 25.297 1.00 54.42 O +ATOM 1410 OD2 ASP A 436 23.722 16.177 26.551 1.00 60.67 O1- +ATOM 1411 H ASP A 436 25.238 14.441 24.078 1.00 37.84 H +ATOM 1412 HA ASP A 436 25.144 12.224 25.942 1.00 37.86 H +ATOM 1413 HB3 ASP A 436 26.212 14.191 26.732 1.00 40.14 H +ATOM 1414 HB2 ASP A 436 24.699 14.089 27.580 1.00 40.14 H +ATOM 1415 N HIS A 437 22.392 13.294 24.674 1.00 36.57 N +ATOM 1416 CA HIS A 437 20.930 13.197 24.640 1.00 35.95 C +ATOM 1417 C HIS A 437 20.389 11.772 24.802 1.00 39.27 C +ATOM 1418 O HIS A 437 21.038 10.805 24.401 1.00 38.81 O +ATOM 1419 CB HIS A 437 20.362 13.853 23.373 1.00 36.58 C +ATOM 1420 CG HIS A 437 18.950 14.318 23.529 1.00 39.83 C +ATOM 1421 ND1 HIS A 437 17.890 13.430 23.487 1.00 41.51 N +ATOM 1422 CD2 HIS A 437 18.469 15.564 23.739 1.00 41.42 C +ATOM 1423 CE1 HIS A 437 16.805 14.160 23.676 1.00 40.82 C +ATOM 1424 NE2 HIS A 437 17.102 15.451 23.823 1.00 41.14 N +ATOM 1425 H HIS A 437 22.832 13.638 23.833 1.00 36.57 H +ATOM 1426 HA HIS A 437 20.557 13.773 25.487 1.00 35.95 H +ATOM 1427 HB3 HIS A 437 20.421 13.149 22.543 1.00 36.58 H +ATOM 1428 HB2 HIS A 437 20.991 14.696 23.089 1.00 36.58 H +ATOM 1429 HD2 HIS A 437 19.148 16.401 23.807 1.00 41.42 H +ATOM 1430 HE1 HIS A 437 15.834 13.689 23.695 1.00 40.82 H +ATOM 1431 HE2 HIS A 437 16.535 16.274 23.971 1.00 41.14 H +ATOM 1432 N GLU A 438 19.186 11.671 25.397 1.00 35.49 N +ATOM 1433 CA GLU A 438 18.433 10.448 25.686 1.00 34.98 C +ATOM 1434 C GLU A 438 18.174 9.599 24.431 1.00 37.21 C +ATOM 1435 O GLU A 438 18.441 8.395 24.454 1.00 36.78 O +ATOM 1436 CB GLU A 438 17.100 10.826 26.359 1.00 36.47 C +ATOM 1437 CG GLU A 438 16.479 9.731 27.211 1.00 48.52 C +ATOM 1438 CD GLU A 438 15.083 10.037 27.724 1.00 70.30 C +ATOM 1439 OE1 GLU A 438 14.889 11.108 28.345 1.00 64.40 O +ATOM 1440 OE2 GLU A 438 14.184 9.189 27.526 1.00 67.41 O1- +ATOM 1441 H GLU A 438 18.701 12.504 25.700 1.00 35.49 H +ATOM 1442 HA GLU A 438 19.012 9.849 26.389 1.00 34.98 H +ATOM 1443 HB3 GLU A 438 16.387 11.138 25.596 1.00 36.47 H +ATOM 1444 HB2 GLU A 438 17.244 11.719 26.968 1.00 36.47 H +ATOM 1445 HG3 GLU A 438 17.134 9.515 28.055 1.00 48.52 H +ATOM 1446 HG2 GLU A 438 16.459 8.800 26.644 1.00 48.52 H +ATOM 1447 N VAL A 439 17.671 10.231 23.343 1.00 32.32 N +ATOM 1448 CA VAL A 439 17.327 9.584 22.069 1.00 31.55 C +ATOM 1449 C VAL A 439 18.562 8.914 21.397 1.00 35.17 C +ATOM 1450 O VAL A 439 18.398 7.882 20.743 1.00 34.89 O +ATOM 1451 CB VAL A 439 16.544 10.545 21.118 1.00 34.94 C +ATOM 1452 CG1 VAL A 439 17.440 11.618 20.501 1.00 34.54 C +ATOM 1453 CG2 VAL A 439 15.775 9.778 20.044 1.00 34.63 C +ATOM 1454 H VAL A 439 17.505 11.227 23.369 1.00 32.32 H +ATOM 1455 HA VAL A 439 16.640 8.775 22.316 1.00 31.55 H +ATOM 1456 HB VAL A 439 15.804 11.062 21.729 1.00 34.94 H +ATOM 1457 HG11 VAL A 439 16.845 12.258 19.849 1.00 34.54 H +ATOM 1458 HG12 VAL A 439 17.885 12.220 21.293 1.00 34.54 H +ATOM 1459 HG13 VAL A 439 18.230 11.142 19.920 1.00 34.54 H +ATOM 1460 HG21 VAL A 439 15.244 10.482 19.404 1.00 34.63 H +ATOM 1461 HG22 VAL A 439 16.473 9.196 19.442 1.00 34.63 H +ATOM 1462 HG23 VAL A 439 15.058 9.108 20.518 1.00 34.63 H +ATOM 1463 N VAL A 440 19.781 9.465 21.606 1.00 31.45 N +ATOM 1464 CA VAL A 440 21.038 8.920 21.072 1.00 31.28 C +ATOM 1465 C VAL A 440 21.350 7.562 21.735 1.00 35.84 C +ATOM 1466 O VAL A 440 21.701 6.610 21.037 1.00 35.31 O +ATOM 1467 CB VAL A 440 22.205 9.944 21.171 1.00 34.82 C +ATOM 1468 CG1 VAL A 440 23.561 9.303 20.876 1.00 34.54 C +ATOM 1469 CG2 VAL A 440 21.966 11.132 20.244 1.00 34.52 C +ATOM 1470 H VAL A 440 19.867 10.305 22.160 1.00 31.45 H +ATOM 1471 HA VAL A 440 20.875 8.726 20.012 1.00 31.28 H +ATOM 1472 HB VAL A 440 22.231 10.320 22.194 1.00 34.82 H +ATOM 1473 HG11 VAL A 440 24.345 10.056 20.957 1.00 34.54 H +ATOM 1474 HG12 VAL A 440 23.750 8.504 21.593 1.00 34.54 H +ATOM 1475 HG13 VAL A 440 23.557 8.891 19.867 1.00 34.54 H +ATOM 1476 HG21 VAL A 440 22.795 11.834 20.331 1.00 34.52 H +ATOM 1477 HG22 VAL A 440 21.894 10.781 19.214 1.00 34.52 H +ATOM 1478 HG23 VAL A 440 21.038 11.631 20.523 1.00 34.52 H +ATOM 1479 N ALA A 441 21.175 7.473 23.072 1.00 33.08 N +ATOM 1480 CA ALA A 441 21.380 6.245 23.850 1.00 33.13 C +ATOM 1481 C ALA A 441 20.335 5.187 23.468 1.00 37.02 C +ATOM 1482 O ALA A 441 20.651 3.997 23.438 1.00 36.73 O +ATOM 1483 CB ALA A 441 21.306 6.549 25.339 1.00 33.88 C +ATOM 1484 H ALA A 441 20.885 8.285 23.599 1.00 33.08 H +ATOM 1485 HA ALA A 441 22.371 5.852 23.624 1.00 33.13 H +ATOM 1486 HB1 ALA A 441 21.459 5.631 25.906 1.00 33.88 H +ATOM 1487 HB2 ALA A 441 22.079 7.271 25.602 1.00 33.88 H +ATOM 1488 HB3 ALA A 441 20.326 6.963 25.578 1.00 33.88 H +ATOM 1489 N MET A 442 19.100 5.637 23.151 1.00 33.38 N +ATOM 1490 CA MET A 442 17.981 4.798 22.707 1.00 32.91 C +ATOM 1491 C MET A 442 18.280 4.237 21.313 1.00 36.01 C +ATOM 1492 O MET A 442 17.953 3.082 21.039 1.00 35.55 O +ATOM 1493 CB MET A 442 16.669 5.601 22.695 1.00 35.23 C +ATOM 1494 CG MET A 442 16.163 5.950 24.079 1.00 38.89 C +ATOM 1495 SD MET A 442 14.958 7.297 24.058 1.00 43.03 S +ATOM 1496 CE MET A 442 13.504 6.400 24.352 1.00 39.67 C +ATOM 1497 H MET A 442 18.891 6.623 23.212 1.00 33.38 H +ATOM 1498 HA MET A 442 17.873 3.965 23.402 1.00 32.91 H +ATOM 1499 HB3 MET A 442 15.904 5.036 22.162 1.00 35.23 H +ATOM 1500 HB2 MET A 442 16.810 6.516 22.120 1.00 35.23 H +ATOM 1501 HG3 MET A 442 17.005 6.227 24.713 1.00 38.89 H +ATOM 1502 HG2 MET A 442 15.712 5.068 24.533 1.00 38.89 H +ATOM 1503 HE1 MET A 442 12.654 7.082 24.371 1.00 39.67 H +ATOM 1504 HE2 MET A 442 13.363 5.666 23.559 1.00 39.67 H +ATOM 1505 HE3 MET A 442 13.580 5.888 25.311 1.00 39.67 H +ATOM 1506 N ALA A 443 18.922 5.055 20.446 1.00 32.09 N +ATOM 1507 CA ALA A 443 19.333 4.678 19.092 1.00 31.74 C +ATOM 1508 C ALA A 443 20.403 3.595 19.138 1.00 35.34 C +ATOM 1509 O ALA A 443 20.345 2.657 18.343 1.00 34.62 O +ATOM 1510 CB ALA A 443 19.851 5.895 18.339 1.00 32.41 C +ATOM 1511 H ALA A 443 19.150 6.000 20.718 1.00 32.09 H +ATOM 1512 HA ALA A 443 18.465 4.286 18.562 1.00 31.74 H +ATOM 1513 HB1 ALA A 443 20.153 5.600 17.334 1.00 32.41 H +ATOM 1514 HB2 ALA A 443 19.063 6.646 18.275 1.00 32.41 H +ATOM 1515 HB3 ALA A 443 20.708 6.312 18.868 1.00 32.41 H +ATOM 1516 N ARG A 444 21.362 3.714 20.086 1.00 31.95 N +ATOM 1517 CA ARG A 444 22.444 2.750 20.286 1.00 31.77 C +ATOM 1518 C ARG A 444 21.894 1.400 20.742 1.00 35.53 C +ATOM 1519 O ARG A 444 22.357 0.370 20.256 1.00 35.27 O +ATOM 1520 CB ARG A 444 23.492 3.278 21.281 1.00 32.10 C +ATOM 1521 CG ARG A 444 24.347 4.421 20.744 1.00 43.33 C +ATOM 1522 CD ARG A 444 25.595 4.607 21.585 1.00 54.01 C +ATOM 1523 NE ARG A 444 26.332 5.823 21.233 1.00 61.82 N +ATOM 1524 CZ ARG A 444 26.375 6.919 21.985 1.00 76.44 C +ATOM 1525 NH1 ARG A 444 25.726 6.966 23.142 1.00 63.34 N +ATOM 1526 NH2 ARG A 444 27.072 7.974 21.589 1.00 63.87 N1+ +ATOM 1527 H ARG A 444 21.359 4.507 20.711 1.00 31.95 H +ATOM 1528 HA ARG A 444 22.940 2.601 19.327 1.00 31.77 H +ATOM 1529 HB3 ARG A 444 24.139 2.458 21.593 1.00 32.10 H +ATOM 1530 HB2 ARG A 444 22.993 3.599 22.195 1.00 32.10 H +ATOM 1531 HG3 ARG A 444 23.765 5.343 20.749 1.00 43.33 H +ATOM 1532 HG2 ARG A 444 24.632 4.208 19.714 1.00 43.33 H +ATOM 1533 HD3 ARG A 444 26.246 3.741 21.464 1.00 54.01 H +ATOM 1534 HD2 ARG A 444 25.320 4.643 22.639 1.00 54.01 H +ATOM 1535 HE ARG A 444 26.829 5.793 20.355 1.00 61.82 H +ATOM 1536 HH12 ARG A 444 25.763 7.802 23.708 1.00 63.34 H +ATOM 1537 HH11 ARG A 444 25.195 6.166 23.456 1.00 63.34 H +ATOM 1538 HH22 ARG A 444 27.102 8.804 22.163 1.00 63.87 H +ATOM 1539 HH21 ARG A 444 27.574 7.948 20.713 1.00 63.87 H +ATOM 1540 N LYS A 445 20.887 1.409 21.644 1.00 32.02 N +ATOM 1541 CA LYS A 445 20.232 0.202 22.162 1.00 31.87 C +ATOM 1542 C LYS A 445 19.443 -0.521 21.072 1.00 35.60 C +ATOM 1543 O LYS A 445 19.466 -1.752 21.028 1.00 35.30 O +ATOM 1544 CB LYS A 445 19.329 0.527 23.362 1.00 34.49 C +ATOM 1545 CG LYS A 445 20.084 0.643 24.682 1.00 48.74 C +ATOM 1546 CD LYS A 445 19.200 1.182 25.801 1.00 59.59 C +ATOM 1547 CE LYS A 445 18.594 0.094 26.655 1.00 72.16 C +ATOM 1548 NZ LYS A 445 17.613 0.639 27.629 1.00 81.44 N1+ +ATOM 1549 H LYS A 445 20.540 2.286 22.005 1.00 32.02 H +ATOM 1550 HA LYS A 445 21.013 -0.475 22.509 1.00 31.87 H +ATOM 1551 HB3 LYS A 445 18.558 -0.238 23.452 1.00 34.49 H +ATOM 1552 HB2 LYS A 445 18.792 1.456 23.170 1.00 34.49 H +ATOM 1553 HG3 LYS A 445 20.944 1.300 24.551 1.00 48.74 H +ATOM 1554 HG2 LYS A 445 20.471 -0.336 24.965 1.00 48.74 H +ATOM 1555 HD3 LYS A 445 18.404 1.791 25.372 1.00 59.59 H +ATOM 1556 HD2 LYS A 445 19.783 1.854 26.431 1.00 59.59 H +ATOM 1557 HE3 LYS A 445 19.386 -0.429 27.192 1.00 72.16 H +ATOM 1558 HE2 LYS A 445 18.101 -0.637 26.015 1.00 72.16 H +ATOM 1559 HZ1 LYS A 445 17.151 1.443 27.228 1.00 81.44 H +ATOM 1560 HZ2 LYS A 445 16.927 -0.069 27.848 1.00 81.44 H +ATOM 1561 HZ3 LYS A 445 18.094 0.914 28.474 1.00 81.44 H +ATOM 1562 N LEU A 446 18.758 0.239 20.190 1.00 31.83 N +ATOM 1563 CA LEU A 446 18.000 -0.329 19.075 1.00 31.44 C +ATOM 1564 C LEU A 446 18.949 -0.857 17.988 1.00 35.09 C +ATOM 1565 O LEU A 446 18.669 -1.906 17.403 1.00 34.69 O +ATOM 1566 CB LEU A 446 16.974 0.676 18.508 1.00 31.39 C +ATOM 1567 CG LEU A 446 16.006 0.166 17.414 1.00 36.00 C +ATOM 1568 CD1 LEU A 446 15.159 -1.013 17.896 1.00 36.17 C +ATOM 1569 CD2 LEU A 446 15.114 1.277 16.911 1.00 38.29 C +ATOM 1570 H LEU A 446 18.755 1.244 20.285 1.00 31.83 H +ATOM 1571 HA LEU A 446 17.441 -1.181 19.462 1.00 31.44 H +ATOM 1572 HB3 LEU A 446 17.501 1.555 18.138 1.00 31.39 H +ATOM 1573 HB2 LEU A 446 16.395 1.098 19.329 1.00 31.39 H +ATOM 1574 HG LEU A 446 16.608 -0.181 16.574 1.00 36.00 H +ATOM 1575 HD11 LEU A 446 14.495 -1.336 17.094 1.00 36.17 H +ATOM 1576 HD12 LEU A 446 15.812 -1.838 18.181 1.00 36.17 H +ATOM 1577 HD13 LEU A 446 14.565 -0.706 18.757 1.00 36.17 H +ATOM 1578 HD21 LEU A 446 14.445 0.887 16.143 1.00 38.29 H +ATOM 1579 HD22 LEU A 446 14.525 1.673 17.738 1.00 38.29 H +ATOM 1580 HD23 LEU A 446 15.727 2.073 16.488 1.00 38.29 H +ATOM 1581 N GLN A 447 20.083 -0.155 17.748 1.00 31.59 N +ATOM 1582 CA GLN A 447 21.088 -0.583 16.771 1.00 31.56 C +ATOM 1583 C GLN A 447 21.776 -1.874 17.221 1.00 36.33 C +ATOM 1584 O GLN A 447 22.097 -2.703 16.373 1.00 36.32 O +ATOM 1585 CB GLN A 447 22.105 0.525 16.454 1.00 32.67 C +ATOM 1586 CG GLN A 447 22.917 0.248 15.183 1.00 42.97 C +ATOM 1587 CD GLN A 447 23.594 1.454 14.580 1.00 59.20 C +ATOM 1588 OE1 GLN A 447 23.707 2.521 15.189 1.00 53.83 O +ATOM 1589 NE2 GLN A 447 24.080 1.299 13.359 1.00 50.92 N +ATOM 1590 H GLN A 447 20.263 0.701 18.252 1.00 31.59 H +ATOM 1591 HA GLN A 447 20.559 -0.808 15.845 1.00 31.56 H +ATOM 1592 HB3 GLN A 447 22.784 0.646 17.298 1.00 32.67 H +ATOM 1593 HB2 GLN A 447 21.583 1.476 16.350 1.00 32.67 H +ATOM 1594 HG3 GLN A 447 22.271 -0.214 14.436 1.00 42.97 H +ATOM 1595 HG2 GLN A 447 23.664 -0.518 15.392 1.00 42.97 H +ATOM 1596 HE22 GLN A 447 24.545 2.069 12.899 1.00 50.92 H +ATOM 1597 HE21 GLN A 447 23.986 0.411 12.887 1.00 50.92 H +ATOM 1598 N ASP A 448 21.953 -2.064 18.550 1.00 33.16 N +ATOM 1599 CA ASP A 448 22.528 -3.285 19.130 1.00 33.10 C +ATOM 1600 C ASP A 448 21.655 -4.485 18.753 1.00 36.01 C +ATOM 1601 O ASP A 448 22.186 -5.530 18.381 1.00 35.27 O +ATOM 1602 CB ASP A 448 22.644 -3.172 20.664 1.00 35.32 C +ATOM 1603 CG ASP A 448 23.752 -2.266 21.175 1.00 48.46 C +ATOM 1604 OD1 ASP A 448 24.746 -2.060 20.439 1.00 49.24 O +ATOM 1605 OD2 ASP A 448 23.635 -1.776 22.320 1.00 55.80 O1- +ATOM 1606 H ASP A 448 21.684 -1.343 19.204 1.00 33.16 H +ATOM 1607 HA ASP A 448 23.525 -3.434 18.714 1.00 33.10 H +ATOM 1608 HB3 ASP A 448 22.768 -4.168 21.090 1.00 35.32 H +ATOM 1609 HB2 ASP A 448 21.690 -2.840 21.074 1.00 35.32 H +ATOM 1610 N VAL A 449 20.319 -4.304 18.798 1.00 32.14 N +ATOM 1611 CA VAL A 449 19.319 -5.314 18.438 1.00 31.76 C +ATOM 1612 C VAL A 449 19.396 -5.598 16.929 1.00 34.62 C +ATOM 1613 O VAL A 449 19.464 -6.766 16.540 1.00 34.25 O +ATOM 1614 CB VAL A 449 17.886 -4.904 18.896 1.00 35.80 C +ATOM 1615 CG1 VAL A 449 16.843 -5.939 18.479 1.00 35.73 C +ATOM 1616 CG2 VAL A 449 17.832 -4.674 20.403 1.00 35.66 C +ATOM 1617 H VAL A 449 19.939 -3.417 19.098 1.00 32.14 H +ATOM 1618 HA VAL A 449 19.580 -6.235 18.959 1.00 31.76 H +ATOM 1619 HB VAL A 449 17.636 -3.963 18.406 1.00 35.80 H +ATOM 1620 HG11 VAL A 449 15.857 -5.618 18.816 1.00 35.73 H +ATOM 1621 HG12 VAL A 449 16.841 -6.037 17.393 1.00 35.73 H +ATOM 1622 HG13 VAL A 449 17.085 -6.901 18.930 1.00 35.73 H +ATOM 1623 HG21 VAL A 449 16.820 -4.390 20.692 1.00 35.66 H +ATOM 1624 HG22 VAL A 449 18.113 -5.591 20.921 1.00 35.66 H +ATOM 1625 HG23 VAL A 449 18.524 -3.877 20.674 1.00 35.66 H +ATOM 1626 N PHE A 450 19.417 -4.531 16.092 1.00 30.29 N +ATOM 1627 CA PHE A 450 19.490 -4.652 14.634 1.00 29.57 C +ATOM 1628 C PHE A 450 20.775 -5.328 14.152 1.00 32.83 C +ATOM 1629 O PHE A 450 20.681 -6.307 13.419 1.00 32.11 O +ATOM 1630 CB PHE A 450 19.262 -3.301 13.917 1.00 31.03 C +ATOM 1631 CG PHE A 450 19.692 -3.289 12.464 1.00 32.19 C +ATOM 1632 CD1 PHE A 450 18.921 -3.909 11.486 1.00 35.00 C +ATOM 1633 CD2 PHE A 450 20.887 -2.689 12.080 1.00 34.05 C +ATOM 1634 CE1 PHE A 450 19.331 -3.916 10.148 1.00 35.89 C +ATOM 1635 CE2 PHE A 450 21.297 -2.700 10.743 1.00 36.79 C +ATOM 1636 CZ PHE A 450 20.513 -3.307 9.785 1.00 34.83 C +ATOM 1637 H PHE A 450 19.382 -3.594 16.467 1.00 30.29 H +ATOM 1638 HA PHE A 450 18.668 -5.303 14.336 1.00 29.57 H +ATOM 1639 HB3 PHE A 450 19.788 -2.513 14.456 1.00 31.03 H +ATOM 1640 HB2 PHE A 450 18.208 -3.030 13.984 1.00 31.03 H +ATOM 1641 HD1 PHE A 450 17.994 -4.393 11.756 1.00 35.00 H +ATOM 1642 HD2 PHE A 450 21.511 -2.207 12.818 1.00 34.05 H +ATOM 1643 HE1 PHE A 450 18.721 -4.399 9.399 1.00 35.89 H +ATOM 1644 HE2 PHE A 450 22.229 -2.233 10.460 1.00 36.79 H +ATOM 1645 HZ PHE A 450 20.824 -3.306 8.751 1.00 34.83 H +ATOM 1646 N GLU A 451 21.958 -4.795 14.539 1.00 29.43 N +ATOM 1647 CA GLU A 451 23.272 -5.318 14.135 1.00 29.37 C +ATOM 1648 C GLU A 451 23.447 -6.807 14.431 1.00 34.39 C +ATOM 1649 O GLU A 451 23.988 -7.523 13.593 1.00 33.77 O +ATOM 1650 CB GLU A 451 24.435 -4.503 14.734 1.00 30.60 C +ATOM 1651 CG GLU A 451 24.554 -3.064 14.242 1.00 39.41 C +ATOM 1652 CD GLU A 451 24.806 -2.804 12.767 1.00 51.36 C +ATOM 1653 OE1 GLU A 451 25.377 -3.684 12.082 1.00 43.37 O +ATOM 1654 OE2 GLU A 451 24.465 -1.691 12.306 1.00 37.17 O1- +ATOM 1655 H GLU A 451 21.974 -3.986 15.144 1.00 29.43 H +ATOM 1656 HA GLU A 451 23.335 -5.204 13.053 1.00 29.37 H +ATOM 1657 HB3 GLU A 451 25.374 -5.025 14.549 1.00 30.60 H +ATOM 1658 HB2 GLU A 451 24.354 -4.506 15.821 1.00 30.60 H +ATOM 1659 HG3 GLU A 451 25.315 -2.550 14.829 1.00 39.41 H +ATOM 1660 HG2 GLU A 451 23.671 -2.507 14.555 1.00 39.41 H +ATOM 1661 N MET A 452 22.964 -7.272 15.596 1.00 32.48 N +ATOM 1662 CA MET A 452 23.030 -8.679 16.005 1.00 33.23 C +ATOM 1663 C MET A 452 22.163 -9.574 15.108 1.00 37.50 C +ATOM 1664 O MET A 452 22.625 -10.635 14.689 1.00 37.18 O +ATOM 1665 CB MET A 452 22.631 -8.842 17.481 1.00 35.97 C +ATOM 1666 CG MET A 452 23.698 -8.376 18.464 1.00 40.29 C +ATOM 1667 SD MET A 452 25.238 -9.329 18.456 1.00 45.19 S +ATOM 1668 CE MET A 452 24.636 -10.910 18.982 1.00 41.89 C +ATOM 1669 H MET A 452 22.524 -6.639 16.249 1.00 32.48 H +ATOM 1670 HA MET A 452 24.064 -9.007 15.902 1.00 33.23 H +ATOM 1671 HB3 MET A 452 22.390 -9.887 17.677 1.00 35.97 H +ATOM 1672 HB2 MET A 452 21.705 -8.298 17.667 1.00 35.97 H +ATOM 1673 HG3 MET A 452 23.282 -8.372 19.472 1.00 40.29 H +ATOM 1674 HG2 MET A 452 23.924 -7.326 18.279 1.00 40.29 H +ATOM 1675 HE1 MET A 452 25.464 -11.617 19.030 1.00 41.89 H +ATOM 1676 HE2 MET A 452 24.181 -10.816 19.968 1.00 41.89 H +ATOM 1677 HE3 MET A 452 23.892 -11.270 18.272 1.00 41.89 H +ATOM 1678 N ARG A 453 20.925 -9.134 14.798 1.00 34.28 N +ATOM 1679 CA ARG A 453 19.990 -9.867 13.940 1.00 34.22 C +ATOM 1680 C ARG A 453 20.416 -9.854 12.471 1.00 37.85 C +ATOM 1681 O ARG A 453 20.321 -10.885 11.803 1.00 37.57 O +ATOM 1682 CB ARG A 453 18.560 -9.316 14.084 1.00 34.86 C +ATOM 1683 CG ARG A 453 17.775 -9.846 15.291 1.00 45.96 C +ATOM 1684 CD ARG A 453 17.391 -11.322 15.200 1.00 55.49 C +ATOM 1685 NE ARG A 453 16.795 -11.684 13.910 1.00 62.28 N +ATOM 1686 CZ ARG A 453 15.490 -11.709 13.657 1.00 72.09 C +ATOM 1687 NH1 ARG A 453 14.616 -11.397 14.606 1.00 56.32 N +ATOM 1688 NH2 ARG A 453 15.048 -12.052 12.455 1.00 57.63 N1+ +ATOM 1689 H ARG A 453 20.596 -8.252 15.164 1.00 34.28 H +ATOM 1690 HA ARG A 453 19.980 -10.905 14.273 1.00 34.22 H +ATOM 1691 HB3 ARG A 453 18.001 -9.522 13.171 1.00 34.86 H +ATOM 1692 HB2 ARG A 453 18.596 -8.227 14.127 1.00 34.86 H +ATOM 1693 HG3 ARG A 453 16.875 -9.247 15.428 1.00 45.96 H +ATOM 1694 HG2 ARG A 453 18.354 -9.679 16.200 1.00 45.96 H +ATOM 1695 HD3 ARG A 453 16.694 -11.565 16.002 1.00 55.49 H +ATOM 1696 HD2 ARG A 453 18.273 -11.937 15.376 1.00 55.49 H +ATOM 1697 HE ARG A 453 17.455 -11.926 13.185 1.00 62.28 H +ATOM 1698 HH12 ARG A 453 13.626 -11.418 14.407 1.00 56.32 H +ATOM 1699 HH11 ARG A 453 14.941 -11.139 15.527 1.00 56.32 H +ATOM 1700 HH22 ARG A 453 14.056 -12.069 12.268 1.00 57.63 H +ATOM 1701 HH21 ARG A 453 15.704 -12.296 11.726 1.00 57.63 H +ATOM 1702 N PHE A 454 20.875 -8.688 11.975 1.00 34.12 N +ATOM 1703 CA PHE A 454 21.321 -8.469 10.596 1.00 33.87 C +ATOM 1704 C PHE A 454 22.586 -9.267 10.250 1.00 38.33 C +ATOM 1705 O PHE A 454 22.749 -9.678 9.101 1.00 37.98 O +ATOM 1706 CB PHE A 454 21.514 -6.963 10.332 1.00 35.47 C +ATOM 1707 CG PHE A 454 21.788 -6.562 8.902 1.00 36.85 C +ATOM 1708 CD1 PHE A 454 20.771 -6.562 7.953 1.00 39.80 C +ATOM 1709 CD2 PHE A 454 23.051 -6.130 8.515 1.00 38.83 C +ATOM 1710 CE1 PHE A 454 21.024 -6.180 6.633 1.00 40.66 C +ATOM 1711 CE2 PHE A 454 23.303 -5.743 7.195 1.00 41.63 C +ATOM 1712 CZ PHE A 454 22.287 -5.771 6.263 1.00 39.72 C +ATOM 1713 H PHE A 454 20.932 -7.874 12.570 1.00 34.12 H +ATOM 1714 HA PHE A 454 20.526 -8.816 9.937 1.00 33.87 H +ATOM 1715 HB3 PHE A 454 22.313 -6.586 10.970 1.00 35.47 H +ATOM 1716 HB2 PHE A 454 20.642 -6.420 10.697 1.00 35.47 H +ATOM 1717 HD1 PHE A 454 19.771 -6.860 8.233 1.00 39.80 H +ATOM 1718 HD2 PHE A 454 23.853 -6.090 9.237 1.00 38.83 H +ATOM 1719 HE1 PHE A 454 20.230 -6.205 5.902 1.00 40.66 H +ATOM 1720 HE2 PHE A 454 24.293 -5.422 6.906 1.00 41.63 H +ATOM 1721 HZ PHE A 454 22.481 -5.473 5.243 1.00 39.72 H +ATOM 1722 N ALA A 455 23.470 -9.489 11.240 1.00 35.37 N +ATOM 1723 CA ALA A 455 24.707 -10.251 11.069 1.00 35.36 C +ATOM 1724 C ALA A 455 24.440 -11.757 11.015 1.00 40.04 C +ATOM 1725 O ALA A 455 25.145 -12.473 10.303 1.00 39.44 O +ATOM 1726 CB ALA A 455 25.672 -9.939 12.199 1.00 36.03 C +ATOM 1727 H ALA A 455 23.296 -9.121 12.164 1.00 35.37 H +ATOM 1728 HA ALA A 455 25.169 -9.950 10.129 1.00 35.36 H +ATOM 1729 HB1 ALA A 455 26.590 -10.511 12.062 1.00 36.03 H +ATOM 1730 HB2 ALA A 455 25.905 -8.874 12.195 1.00 36.03 H +ATOM 1731 HB3 ALA A 455 25.216 -10.207 13.152 1.00 36.03 H +ATOM 1732 N LYS A 456 23.426 -12.233 11.768 1.00 37.55 N +ATOM 1733 CA LYS A 456 23.048 -13.646 11.862 1.00 37.86 C +ATOM 1734 C LYS A 456 22.077 -14.088 10.747 1.00 43.18 C +ATOM 1735 O LYS A 456 21.066 -14.742 11.022 1.00 43.45 O +ATOM 1736 CB LYS A 456 22.508 -13.970 13.270 1.00 40.25 C +ATOM 1737 CG LYS A 456 23.594 -14.033 14.338 1.00 54.04 C +ATOM 1738 CD LYS A 456 23.014 -14.176 15.734 1.00 63.45 C +ATOM 1739 CE LYS A 456 24.100 -14.187 16.782 1.00 73.82 C +ATOM 1740 NZ LYS A 456 23.542 -14.217 18.159 1.00 81.87 N1+ +ATOM 1741 H LYS A 456 22.866 -11.599 12.320 1.00 37.55 H +ATOM 1742 HA LYS A 456 23.962 -14.226 11.733 1.00 37.86 H +ATOM 1743 HB3 LYS A 456 21.972 -14.919 13.242 1.00 40.25 H +ATOM 1744 HB2 LYS A 456 21.765 -13.224 13.553 1.00 40.25 H +ATOM 1745 HG3 LYS A 456 24.203 -13.130 14.289 1.00 54.04 H +ATOM 1746 HG2 LYS A 456 24.256 -14.874 14.133 1.00 54.04 H +ATOM 1747 HD3 LYS A 456 22.441 -15.101 15.796 1.00 63.45 H +ATOM 1748 HD2 LYS A 456 22.330 -13.350 15.929 1.00 63.45 H +ATOM 1749 HE3 LYS A 456 24.727 -13.303 16.664 1.00 73.82 H +ATOM 1750 HE2 LYS A 456 24.741 -15.056 16.631 1.00 73.82 H +ATOM 1751 HZ1 LYS A 456 22.981 -15.048 18.277 1.00 81.87 H +ATOM 1752 HZ2 LYS A 456 24.298 -14.224 18.829 1.00 81.87 H +ATOM 1753 HZ3 LYS A 456 22.968 -13.400 18.308 1.00 81.87 H +ATOM 1754 N MET A 457 22.411 -13.740 9.485 1.00 39.96 N +ATOM 1755 CA MET A 457 21.664 -14.072 8.260 1.00 71.89 C +ATOM 1756 C MET A 457 22.489 -13.817 6.990 1.00106.26 C +ATOM 1757 O MET A 457 23.709 -13.660 7.052 1.00 69.85 O +ATOM 1758 CB MET A 457 20.291 -13.360 8.183 1.00 74.22 C +ATOM 1759 CG MET A 457 20.354 -11.854 8.340 1.00 77.85 C +ATOM 1760 SD MET A 457 19.380 -10.981 7.096 1.00 82.00 S +ATOM 1761 CE MET A 457 20.631 -9.949 6.396 1.00 78.64 C +ATOM 1762 H MET A 457 23.247 -13.199 9.315 1.00 39.96 H +ATOM 1763 HA MET A 457 21.462 -15.143 8.295 1.00 71.89 H +ATOM 1764 HB3 MET A 457 19.626 -13.774 8.941 1.00 74.22 H +ATOM 1765 HB2 MET A 457 19.810 -13.604 7.236 1.00 74.22 H +ATOM 1766 HG3 MET A 457 21.392 -11.527 8.282 1.00 77.85 H +ATOM 1767 HG2 MET A 457 20.002 -11.578 9.334 1.00 77.85 H +ATOM 1768 HE1 MET A 457 20.198 -9.338 5.605 1.00 78.64 H +ATOM 1769 HE2 MET A 457 21.044 -9.302 7.170 1.00 78.64 H +ATOM 1770 HE3 MET A 457 21.425 -10.570 5.981 1.00 78.64 H +ATOM 1771 N NME A 457A 21.847 -13.765 5.769 1.00 0.00 N +ATOM 1772 CA NME A 457A 22.613 -13.524 4.555 1.00 0.00 C +ATOM 1773 H NME A 457A 20.848 -13.893 5.719 1.00 0.00 H +ATOM 1774 1HA NME A 457A 23.686 -13.410 4.824 1.00 0.00 H +ATOM 1775 2HA NME A 457A 22.489 -14.381 3.856 1.00 0.00 H +ATOM 1776 3HA NME A 457A 22.249 -12.596 4.058 1.00 0.00 H +TER 1777 NME A 457A +HETATM 1778 O HOH A 601 17.174 11.616 13.170 1.00 19.80 O +HETATM 1779 H1 HOH A 601 16.970 11.811 14.129 1.00 19.80 H +HETATM 1780 H2 HOH A 601 17.842 10.874 13.115 1.00 19.80 H +HETATM 1781 O HOH A 602 25.424 13.284 18.606 1.00 39.08 O +HETATM 1782 H1 HOH A 602 25.254 13.024 17.655 1.00 39.08 H +HETATM 1783 H2 HOH A 602 24.729 13.940 18.902 1.00 39.08 H +HETATM 1784 O HOH A 603 25.470 -6.395 11.632 1.00 35.51 O +HETATM 1785 H1 HOH A 603 25.437 -5.409 11.794 1.00 35.51 H +HETATM 1786 H2 HOH A 603 24.935 -6.867 12.333 1.00 35.51 H +HETATM 1787 O HOH A 604 11.507 9.662 7.950 1.00 40.06 O +HETATM 1788 H1 HOH A 604 12.465 9.416 7.806 1.00 40.06 H +HETATM 1789 H2 HOH A 604 10.986 8.843 8.190 1.00 40.06 H +HETATM 1790 O HOH A 605 9.664 -1.790 19.742 1.00 35.75 O +HETATM 1791 H1 HOH A 605 9.312 -2.649 20.114 1.00 35.75 H +HETATM 1792 H2 HOH A 605 10.177 -1.975 18.904 1.00 35.75 H +HETATM 1793 O HOH A 606 16.314 9.177 12.338 1.00 31.93 O +HETATM 1794 H1 HOH A 606 17.090 8.547 12.343 1.00 31.93 H +HETATM 1795 H2 HOH A 606 15.604 8.837 12.955 1.00 31.93 H +HETATM 1796 O HOH A 607 24.202 -1.835 3.760 1.00 36.13 O +HETATM 1797 H1 HOH A 607 23.311 -1.989 3.333 1.00 36.13 H +HETATM 1798 H2 HOH A 607 24.195 -0.959 4.241 1.00 36.13 H +HETATM 1799 O HOH A 608 11.664 8.958 13.912 1.00 35.99 O +HETATM 1800 H1 HOH A 608 10.746 8.753 13.572 1.00 35.99 H +HETATM 1801 H2 HOH A 608 11.718 8.733 14.885 1.00 35.99 H +HETATM 1802 O HOH A 609 14.134 -5.006 26.255 1.00 46.78 O +HETATM 1803 H1 HOH A 609 13.256 -4.891 25.790 1.00 46.78 H +HETATM 1804 H2 HOH A 609 14.111 -4.531 27.135 1.00 46.78 H +HETATM 1805 O HOH A 610 23.481 9.605 24.600 1.00 39.70 O +HETATM 1806 H1 HOH A 610 22.585 10.043 24.528 1.00 39.70 H +HETATM 1807 H2 HOH A 610 24.178 10.203 24.204 1.00 39.70 H +HETATM 1808 O HOH A 611 22.631 19.503 15.078 1.00 45.11 O +HETATM 1809 H1 HOH A 611 22.377 18.686 15.596 1.00 45.11 H +HETATM 1810 H2 HOH A 611 23.615 19.494 14.902 1.00 45.11 H +HETATM 1811 O HOH A 612 11.588 18.910 21.071 1.00 45.73 O +HETATM 1812 H1 HOH A 612 11.210 19.510 20.366 1.00 45.73 H +HETATM 1813 H2 HOH A 612 10.906 18.768 21.789 1.00 45.73 H +HETATM 1814 O HOH A 613 4.247 0.327 0.205 1.00 49.84 O +HETATM 1815 H1 HOH A 613 5.142 0.128 0.605 1.00 49.84 H +HETATM 1816 H2 HOH A 613 3.548 0.297 0.920 1.00 49.84 H +HETATM 1817 O HOH A 614 6.105 -6.298 16.206 1.00 47.93 O +HETATM 1818 H1 HOH A 614 7.066 -6.444 15.970 1.00 47.93 H +HETATM 1819 H2 HOH A 614 5.676 -7.177 16.416 1.00 47.93 H +HETATM 1820 O HOH A 615 28.062 -3.713 11.590 1.00 27.40 O +HETATM 1821 H1 HOH A 615 27.078 -3.704 11.769 1.00 27.40 H +HETATM 1822 H2 HOH A 615 28.486 -2.913 12.014 1.00 27.40 H +HETATM 1823 O HOH A 616 10.505 -7.132 0.281 1.00 52.87 O +HETATM 1824 H1 HOH A 616 9.884 -6.360 0.419 1.00 52.87 H +HETATM 1825 H2 HOH A 616 10.345 -7.820 0.988 1.00 52.87 H +HETATM 1826 O HOH A 617 6.923 3.366 -0.179 1.00 47.89 O +HETATM 1827 H1 HOH A 617 6.657 2.615 0.425 1.00 47.89 H +HETATM 1828 H2 HOH A 617 7.532 3.020 -0.893 1.00 47.89 H +HETATM 1829 O HOH A 618 18.774 1.868 0.665 1.00 50.69 O +HETATM 1830 H1 HOH A 618 18.699 1.041 1.223 1.00 50.69 H +HETATM 1831 H2 HOH A 618 18.362 2.638 1.152 1.00 50.69 H +HETATM 1832 O HOH A 619 16.981 16.553 0.715 1.00 47.56 O +HETATM 1833 H1 HOH A 619 17.001 15.887 1.461 1.00 47.56 H +HETATM 1834 H2 HOH A 619 17.809 16.460 0.162 1.00 47.56 H +HETATM 1835 O HOH A 620 15.704 10.595 10.080 1.00 37.29 O +HETATM 1836 H1 HOH A 620 15.711 11.480 10.545 1.00 37.29 H +HETATM 1837 H2 HOH A 620 15.913 9.871 10.738 1.00 37.29 H +HETATM 1838 O HOH A 621 22.924 3.256 24.770 1.00 47.31 O +HETATM 1839 H1 HOH A 621 22.094 3.527 24.282 1.00 47.31 H +HETATM 1840 H2 HOH A 621 22.745 3.248 25.754 1.00 47.31 H +HETATM 1841 O HOH A 622 13.923 7.952 12.757 1.00 23.84 O +HETATM 1842 H1 HOH A 622 13.096 8.320 13.182 1.00 23.84 H +HETATM 1843 H2 HOH A 622 13.831 7.988 11.762 1.00 23.84 H +HETATM 1844 O HOH A 623 25.068 5.321 7.707 1.00 35.75 O +HETATM 1845 H1 HOH A 623 24.851 5.739 8.589 1.00 35.75 H +HETATM 1846 H2 HOH A 623 24.497 4.511 7.572 1.00 35.75 H +HETATM 1847 O HOH A 624 6.197 6.536 18.589 1.00 46.20 O +HETATM 1848 H1 HOH A 624 7.175 6.334 18.532 1.00 46.20 H +HETATM 1849 H2 HOH A 624 6.069 7.494 18.845 1.00 46.20 H +HETATM 1850 O HOH A 625 17.928 17.210 19.824 1.00 49.54 O +HETATM 1851 H1 HOH A 625 17.886 16.316 19.378 1.00 49.54 H +HETATM 1852 H2 HOH A 625 17.411 17.181 20.680 1.00 49.54 H +HETATM 1853 O HOH A 626 26.761 -11.502 8.292 1.00 48.76 O +HETATM 1854 H1 HOH A 626 26.176 -11.855 9.022 1.00 48.76 H +HETATM 1855 H2 HOH A 626 26.264 -10.806 7.773 1.00 48.76 H +HETATM 1856 O HOH A 627 20.421 12.570 6.038 1.00 38.79 O +HETATM 1857 H1 HOH A 627 20.358 12.033 6.880 1.00 38.79 H +HETATM 1858 H2 HOH A 627 21.055 13.332 6.174 1.00 38.79 H +HETATM 1859 O HOH A 628 16.464 -11.891 18.471 1.00 35.76 O +HETATM 1860 H1 HOH A 628 15.883 -11.250 17.970 1.00 35.76 H +HETATM 1861 H2 HOH A 628 16.000 -12.176 19.310 1.00 35.76 H +HETATM 1862 O HOH A 629 21.127 16.694 25.660 1.00 52.61 O +HETATM 1863 H1 HOH A 629 22.057 16.509 25.977 1.00 52.61 H +HETATM 1864 H2 HOH A 629 20.514 16.765 26.447 1.00 52.61 H +HETATM 1865 O HOH A 630 10.419 -2.478 26.106 1.00 50.30 O +HETATM 1866 H1 HOH A 630 10.891 -3.265 25.709 1.00 50.30 H +HETATM 1867 H2 HOH A 630 9.640 -2.794 26.648 1.00 50.30 H +HETATM 1868 O HOH A 631 15.236 17.365 24.682 1.00 51.16 O +HETATM 1869 H1 HOH A 631 14.263 17.350 24.450 1.00 51.16 H +HETATM 1870 H2 HOH A 631 15.389 18.005 25.435 1.00 51.16 H +HETATM 1871 O HOH A 632 15.517 5.112 -1.899 1.00 45.74 O +HETATM 1872 H1 HOH A 632 15.158 4.730 -2.751 1.00 45.74 H +HETATM 1873 H2 HOH A 632 16.512 5.018 -1.885 1.00 45.74 H +HETATM 1874 O HOH A 633 21.642 -2.250 -7.592 1.00 53.17 O +HETATM 1875 H1 HOH A 633 21.070 -2.255 -6.772 1.00 53.17 H +HETATM 1876 H2 HOH A 633 21.753 -1.310 -7.915 1.00 53.17 H +HETATM 1877 O HOH A 634 16.123 -8.167 -6.343 1.00 44.81 O +HETATM 1878 H1 HOH A 634 16.525 -7.919 -5.461 1.00 44.81 H +HETATM 1879 H2 HOH A 634 15.180 -8.471 -6.207 1.00 44.81 H +HETATM 1880 O HOH A 635 22.157 14.121 29.058 1.00 50.55 O +HETATM 1881 H1 HOH A 635 22.337 13.550 28.257 1.00 50.55 H +HETATM 1882 H2 HOH A 635 22.750 14.926 29.034 1.00 50.55 H +HETATM 1883 O HOH A 636 3.730 19.282 20.019 1.00 51.05 O +HETATM 1884 H1 HOH A 636 4.641 19.409 19.626 1.00 51.05 H +HETATM 1885 H2 HOH A 636 3.400 18.362 19.807 1.00 51.05 H +HETATM 1886 O HOH A 637 14.497 16.196 6.513 1.00 41.18 O +HETATM 1887 H1 HOH A 637 15.489 16.287 6.425 1.00 41.18 H +HETATM 1888 H2 HOH A 637 14.051 16.989 6.098 1.00 41.18 H +HETATM 1889 O HOH A 638 17.646 -7.866 -10.788 1.00 50.33 O +HETATM 1890 H1 HOH A 638 17.357 -7.750 -11.738 1.00 50.33 H +HETATM 1891 H2 HOH A 638 16.857 -7.753 -10.184 1.00 50.33 H +HETATM 1892 O HOH A 639 13.439 21.541 9.904 1.00 43.36 O +HETATM 1893 H1 HOH A 639 13.357 21.538 10.901 1.00 43.36 H +HETATM 1894 H2 HOH A 639 13.180 22.440 9.550 1.00 43.36 H +HETATM 1895 O HOH A 640 22.073 14.757 6.020 1.00 34.66 O +HETATM 1896 H1 HOH A 640 21.954 15.598 6.548 1.00 34.66 H +HETATM 1897 H2 HOH A 640 22.943 14.329 6.266 1.00 34.66 H +HETATM 1898 O HOH A 641 18.618 -13.935 13.456 1.00 54.05 O +HETATM 1899 H1 HOH A 641 19.229 -14.033 14.241 1.00 54.05 H +HETATM 1900 H2 HOH A 641 19.159 -13.766 12.632 1.00 54.05 H +HETATM 1901 O HOH A 642 22.838 -8.326 0.100 1.00 53.01 O +HETATM 1902 H1 HOH A 642 23.216 -8.433 -0.820 1.00 53.01 H +HETATM 1903 H2 HOH A 642 23.581 -8.338 0.769 1.00 53.01 H +HETATM 1904 O HOH A 643 11.412 13.621 9.279 1.00 44.05 O +HETATM 1905 H1 HOH A 643 10.859 13.979 10.031 1.00 44.05 H +HETATM 1906 H2 HOH A 643 11.800 12.738 9.542 1.00 44.05 H +HETATM 1907 O HOH A 644 15.789 2.957 27.391 1.00 56.45 O +HETATM 1908 H1 HOH A 644 15.781 3.952 27.489 1.00 56.45 H +HETATM 1909 H2 HOH A 644 15.131 2.554 28.026 1.00 56.45 H +HETATM 1910 O HOH A 645 8.371 16.421 9.498 1.00 50.02 O +HETATM 1911 H1 HOH A 645 7.969 15.827 8.801 1.00 50.02 H +HETATM 1912 H2 HOH A 645 8.807 15.861 10.202 1.00 50.02 H +HETATM 1913 O HOH A 646 12.536 11.068 10.034 1.00 25.03 O +HETATM 1914 H1 HOH A 646 12.688 10.080 10.043 1.00 25.03 H +HETATM 1915 H2 HOH A 646 13.371 11.536 10.322 1.00 25.03 H +HETATM 1916 O HOH A 647 6.378 17.975 10.653 1.00 45.50 O +HETATM 1917 H1 HOH A 647 6.006 17.631 11.515 1.00 45.50 H +HETATM 1918 H2 HOH A 647 6.134 17.350 9.912 1.00 45.50 H +HETATM 1919 O HOH A 648 9.894 -8.922 2.346 1.00 53.38 O +HETATM 1920 H1 HOH A 648 10.764 -9.064 2.819 1.00 53.38 H +HETATM 1921 H2 HOH A 648 9.614 -9.772 1.899 1.00 53.38 H +HETATM 1922 O HOH A 649 12.281 -4.852 -0.774 1.00 47.37 O +HETATM 1923 H1 HOH A 649 11.703 -5.592 -0.430 1.00 47.37 H +HETATM 1924 H2 HOH A 649 12.973 -5.228 -1.390 1.00 47.37 H +HETATM 1925 O HOH A 650 19.276 -8.914 18.665 1.00 52.21 O +HETATM 1926 H1 HOH A 650 19.338 -8.206 17.962 1.00 52.21 H +HETATM 1927 H2 HOH A 650 19.096 -8.489 19.552 1.00 52.21 H +HETATM 1928 O HOH A 651 13.276 22.624 20.026 1.00 52.83 O +HETATM 1929 H1 HOH A 651 12.948 22.811 19.100 1.00 52.83 H +HETATM 1930 H2 HOH A 651 14.275 22.586 20.025 1.00 52.83 H +HETATM 1931 O HOH A 652 18.223 14.035 27.043 1.00 50.59 O +HETATM 1932 H1 HOH A 652 17.807 14.715 26.439 1.00 50.59 H +HETATM 1933 H2 HOH A 652 18.998 14.446 27.522 1.00 50.59 H +HETATM 1934 O HOH A 653 23.120 10.186 7.887 1.00 48.10 O +HETATM 1935 H1 HOH A 653 23.274 9.522 8.619 1.00 48.10 H +HETATM 1936 H2 HOH A 653 22.148 10.419 7.847 1.00 48.10 H +HETATM 1937 O HOH A 654 10.190 23.495 11.108 1.00 47.24 O +HETATM 1938 H1 HOH A 654 9.325 23.188 10.710 1.00 47.24 H +HETATM 1939 H2 HOH A 654 10.728 22.701 11.391 1.00 47.24 H +HETATM 1940 O HOH A 655 24.750 -9.206 6.787 1.00 47.50 O +HETATM 1941 H1 HOH A 655 24.104 -9.360 7.534 1.00 47.50 H +HETATM 1942 H2 HOH A 655 24.991 -8.236 6.749 1.00 47.50 H +HETATM 1943 O HOH A 656 18.718 -13.315 -6.684 1.00 63.47 O +HETATM 1944 H1 HOH A 656 19.502 -13.737 -7.140 1.00 63.47 H +HETATM 1945 H2 HOH A 656 17.990 -13.156 -7.351 1.00 63.47 H +HETATM 1946 O HOH A 657 4.425 0.903 8.086 1.00 45.68 O +HETATM 1947 H1 HOH A 657 5.233 1.359 7.714 1.00 45.68 H +HETATM 1948 H2 HOH A 657 4.609 0.610 9.024 1.00 45.68 H +HETATM 1949 O HOH A 658 16.856 18.254 22.239 1.00 56.76 O +HETATM 1950 H1 HOH A 658 17.129 19.102 22.693 1.00 56.76 H +HETATM 1951 H2 HOH A 658 15.866 18.137 22.320 1.00 56.76 H +HETATM 1952 O HOH A 659 5.663 6.556 6.694 1.00 47.24 O +HETATM 1953 H1 HOH A 659 6.654 6.559 6.564 1.00 47.24 H +HETATM 1954 H2 HOH A 659 5.262 5.792 6.188 1.00 47.24 H +HETATM 1955 O HOH A 660 24.046 18.981 18.341 1.00 54.60 O +HETATM 1956 H1 HOH A 660 23.185 19.477 18.227 1.00 54.60 H +HETATM 1957 H2 HOH A 660 23.861 18.000 18.398 1.00 54.60 H +HETATM 1958 O HOH A 661 13.567 2.915 -3.720 1.00 60.28 O +HETATM 1959 H1 HOH A 661 12.633 2.923 -3.363 1.00 60.28 H +HETATM 1960 H2 HOH A 661 13.944 1.992 -3.644 1.00 60.28 H +HETATM 1961 O HOH A 662 4.199 -6.944 0.742 1.00 61.43 O +HETATM 1962 H1 HOH A 662 4.172 -5.946 0.682 1.00 61.43 H +HETATM 1963 H2 HOH A 662 4.478 -7.214 1.663 1.00 61.43 H +HETATM 1964 O HOH A 663 15.759 6.250 27.720 1.00 62.12 O +HETATM 1965 H1 HOH A 663 15.287 7.129 27.660 1.00 62.12 H +HETATM 1966 H2 HOH A 663 16.260 6.198 28.584 1.00 62.12 H +HETATM 1967 O HOH A 664 5.056 -7.664 19.968 1.00 57.62 O +HETATM 1968 H1 HOH A 664 5.406 -8.557 20.252 1.00 57.62 H +HETATM 1969 H2 HOH A 664 5.127 -7.579 18.974 1.00 57.62 H +HETATM 1970 O HOH A 665 20.792 15.600 -1.226 1.00 57.93 O +HETATM 1971 H1 HOH A 665 21.601 15.598 -1.814 1.00 57.93 H +HETATM 1972 H2 HOH A 665 20.853 16.360 -0.579 1.00 57.93 H +HETATM 1973 O HOH A 666 6.019 -7.935 -1.106 1.00 73.05 O +HETATM 1974 H1 HOH A 666 5.362 -7.579 -0.441 1.00 73.05 H +HETATM 1975 H2 HOH A 666 6.822 -7.339 -1.134 1.00 73.05 H +HETATM 1976 O HOH A 667 17.134 22.761 18.230 1.00 58.12 O +HETATM 1977 H1 HOH A 667 17.248 22.670 17.241 1.00 58.12 H +HETATM 1978 H2 HOH A 667 18.002 23.037 18.642 1.00 58.12 H +HETATM 1979 O HOH A 668 11.619 6.727 27.356 1.00 60.86 O +HETATM 1980 H1 HOH A 668 12.339 7.420 27.403 1.00 60.86 H +HETATM 1981 H2 HOH A 668 11.979 5.850 27.673 1.00 60.86 H +HETATM 1982 O HOH A 669 3.745 -3.607 19.736 1.00 63.75 O +HETATM 1983 H1 HOH A 669 4.635 -3.444 19.310 1.00 63.75 H +HETATM 1984 H2 HOH A 669 3.142 -4.066 19.084 1.00 63.75 H +HETATM 1985 O HOH A 670 24.710 0.442 5.213 1.00 47.85 O +HETATM 1986 H1 HOH A 670 23.948 0.616 5.837 1.00 47.85 H +HETATM 1987 H2 HOH A 670 24.815 1.218 4.591 1.00 47.85 H +HETATM 1988 O HOH A 671 21.286 20.564 17.976 1.00 45.94 O +HETATM 1989 H1 HOH A 671 20.792 19.811 18.410 1.00 45.94 H +HETATM 1990 H2 HOH A 671 20.653 21.316 17.794 1.00 45.94 H +HETATM 1991 O HOH A 672 18.178 8.245 1.168 1.00 36.94 O +HETATM 1992 H1 HOH A 672 17.604 7.861 0.445 1.00 36.94 H +HETATM 1993 H2 HOH A 672 17.755 8.072 2.057 1.00 36.94 H +HETATM 1994 O HOH A 673 18.367 4.293 26.827 1.00 56.03 O +HETATM 1995 H1 HOH A 673 17.595 4.871 27.093 1.00 56.03 H +HETATM 1996 H2 HOH A 673 18.686 4.559 25.917 1.00 56.03 H +HETATM 1997 O HOH A 674 21.201 -8.663 -12.333 1.00 57.32 O +HETATM 1998 H1 HOH A 674 20.303 -8.462 -11.941 1.00 57.32 H +HETATM 1999 H2 HOH A 674 21.129 -8.703 -13.330 1.00 57.32 H +HETATM 2000 O HOH A 675 27.699 17.603 14.972 1.00 50.70 O +HETATM 2001 H1 HOH A 675 26.827 17.128 14.849 1.00 50.70 H +HETATM 2002 H2 HOH A 675 28.435 17.061 14.566 1.00 50.70 H +HETATM 2003 O HOH A 676 6.468 -5.391 11.736 1.00 55.74 O +HETATM 2004 H1 HOH A 676 7.242 -5.749 12.258 1.00 55.74 H +HETATM 2005 H2 HOH A 676 6.104 -4.580 12.195 1.00 55.74 H +HETATM 2006 O HOH A 677 10.492 10.750 5.664 1.00 44.74 O +HETATM 2007 H1 HOH A 677 10.178 11.578 6.128 1.00 44.74 H +HETATM 2008 H2 HOH A 677 10.931 10.142 6.326 1.00 44.74 H +HETATM 2009 O HOH A 678 9.439 20.130 7.214 1.00 51.24 O +HETATM 2010 H1 HOH A 678 9.667 19.159 7.279 1.00 51.24 H +HETATM 2011 H2 HOH A 678 8.900 20.291 6.387 1.00 51.24 H +HETATM 2012 O HOH A 679 23.190 -10.154 4.111 1.00 51.73 O +HETATM 2013 H1 HOH A 679 23.671 -9.863 4.938 1.00 51.73 H +HETATM 2014 H2 HOH A 679 23.336 -9.481 3.386 1.00 51.73 H +HETATM 2015 O HOH A 680 8.276 5.374 1.337 1.00 55.52 O +HETATM 2016 H1 HOH A 680 7.803 4.672 0.805 1.00 55.52 H +HETATM 2017 H2 HOH A 680 8.318 5.094 2.296 1.00 55.52 H +HETATM 2018 O HOH A 681 3.768 -1.188 -3.993 1.00 51.38 O +HETATM 2019 H1 HOH A 681 4.729 -1.460 -4.033 1.00 51.38 H +HETATM 2020 H2 HOH A 681 3.572 -0.786 -3.099 1.00 51.38 H +HETATM 2021 O HOH A 682 12.354 15.951 8.201 1.00 53.86 O +HETATM 2022 H1 HOH A 682 12.008 15.100 8.596 1.00 53.86 H +HETATM 2023 H2 HOH A 682 13.145 15.753 7.622 1.00 53.86 H +HETATM 2024 O HOH A 683 22.329 11.135 4.457 1.00 45.38 O +HETATM 2025 H1 HOH A 683 21.786 11.435 3.673 1.00 45.38 H +HETATM 2026 H2 HOH A 683 21.921 11.486 5.300 1.00 45.38 H +HETATM 2027 O HOH A 684 4.950 4.969 20.454 1.00 55.36 O +HETATM 2028 H1 HOH A 684 5.405 5.543 19.773 1.00 55.36 H +HETATM 2029 H2 HOH A 684 5.088 4.006 20.224 1.00 55.36 H +HETATM 2030 O HOH A 685 4.517 -7.300 11.571 1.00 56.43 O +HETATM 2031 H1 HOH A 685 5.229 -6.601 11.632 1.00 56.43 H +HETATM 2032 H2 HOH A 685 4.925 -8.168 11.289 1.00 56.43 H +HETATM 2033 O HOH A 686 9.567 13.192 7.038 1.00 60.80 O +HETATM 2034 H1 HOH A 686 9.590 13.963 6.401 1.00 60.80 H +HETATM 2035 H2 HOH A 686 10.166 13.385 7.815 1.00 60.80 H +HETATM 2036 O HOH A 687 6.198 8.801 24.596 1.00 54.53 O +HETATM 2037 H1 HOH A 687 6.835 9.437 25.228 1.00 54.53 H +HETATM 2038 H2 HOH A 687 5.564 8.168 25.234 1.00 54.53 H +HETATM 2039 O HOH A 688 10.071 17.432 7.391 1.00 40.67 O +HETATM 2040 H1 HOH A 688 10.876 16.911 7.675 1.00 40.67 H +HETATM 2041 H2 HOH A 688 9.310 17.233 8.009 1.00 40.67 H +HETATM 2042 O HOH A 689 23.901 9.105 5.494 1.00 54.20 O +HETATM 2043 H1 HOH A 689 23.334 9.838 5.118 1.00 54.20 H +HETATM 2044 H2 HOH A 689 23.885 9.150 6.493 1.00 54.20 H +HETATM 2045 O HOH A 690 10.071 7.779 1.438 1.00 62.11 O +HETATM 2046 H1 HOH A 690 9.472 6.979 1.405 1.00 62.11 H +HETATM 2047 H2 HOH A 690 10.948 7.557 1.012 1.00 62.11 H +HETATM 2048 O HOH A 691 3.983 -2.623 13.706 1.00 58.80 O +HETATM 2049 H1 HOH A 691 4.572 -3.281 13.237 1.00 58.80 H +HETATM 2050 H2 HOH A 691 4.378 -2.398 14.597 1.00 58.80 H +HETATM 2051 O HOH A 692 9.773 12.240 25.908 1.00 54.91 O +HETATM 2052 H1 HOH A 692 10.764 12.317 26.015 1.00 54.91 H +HETATM 2053 H2 HOH A 692 9.460 12.895 25.220 1.00 54.91 H +HETATM 2054 O HOH A 693 23.913 6.061 28.528 1.00 54.82 O +HETATM 2055 H1 HOH A 693 23.708 5.476 27.743 1.00 54.82 H +HETATM 2056 H2 HOH A 693 23.202 5.950 29.222 1.00 54.82 H +CONECT 1756 1771 +CONECT 1778 1779 1780 +CONECT 1779 1778 +CONECT 1780 1778 +CONECT 1781 1782 1783 +CONECT 1782 1781 +CONECT 1783 1781 +CONECT 1784 1785 1786 +CONECT 1785 1784 +CONECT 1786 1784 +CONECT 1787 1788 1789 +CONECT 1788 1787 +CONECT 1789 1787 +CONECT 1790 1791 1792 +CONECT 1791 1790 +CONECT 1792 1790 +CONECT 1793 1794 1795 +CONECT 1794 1793 +CONECT 1795 1793 +CONECT 1796 1797 1798 +CONECT 1797 1796 +CONECT 1798 1796 +CONECT 1799 1800 1801 +CONECT 1800 1799 +CONECT 1801 1799 +CONECT 1802 1803 1804 +CONECT 1803 1802 +CONECT 1804 1802 +CONECT 1805 1806 1807 +CONECT 1806 1805 +CONECT 1807 1805 +CONECT 1808 1809 1810 +CONECT 1809 1808 +CONECT 1810 1808 +CONECT 1811 1812 1813 +CONECT 1812 1811 +CONECT 1813 1811 +CONECT 1814 1815 1816 +CONECT 1815 1814 +CONECT 1816 1814 +CONECT 1817 1818 1819 +CONECT 1818 1817 +CONECT 1819 1817 +CONECT 1820 1821 1822 +CONECT 1821 1820 +CONECT 1822 1820 +CONECT 1823 1824 1825 +CONECT 1824 1823 +CONECT 1825 1823 +CONECT 1826 1827 1828 +CONECT 1827 1826 +CONECT 1828 1826 +CONECT 1829 1830 1831 +CONECT 1830 1829 +CONECT 1831 1829 +CONECT 1832 1833 1834 +CONECT 1833 1832 +CONECT 1834 1832 +CONECT 1835 1836 1837 +CONECT 1836 1835 +CONECT 1837 1835 +CONECT 1838 1839 1840 +CONECT 1839 1838 +CONECT 1840 1838 +CONECT 1841 1842 1843 +CONECT 1842 1841 +CONECT 1843 1841 +CONECT 1844 1845 1846 +CONECT 1845 1844 +CONECT 1846 1844 +CONECT 1847 1848 1849 +CONECT 1848 1847 +CONECT 1849 1847 +CONECT 1850 1851 1852 +CONECT 1851 1850 +CONECT 1852 1850 +CONECT 1853 1854 1855 +CONECT 1854 1853 +CONECT 1855 1853 +CONECT 1856 1857 1858 +CONECT 1857 1856 +CONECT 1858 1856 +CONECT 1859 1860 1861 +CONECT 1860 1859 +CONECT 1861 1859 +CONECT 1862 1863 1864 +CONECT 1863 1862 +CONECT 1864 1862 +CONECT 1865 1866 1867 +CONECT 1866 1865 +CONECT 1867 1865 +CONECT 1868 1869 1870 +CONECT 1869 1868 +CONECT 1870 1868 +CONECT 1871 1872 1873 +CONECT 1872 1871 +CONECT 1873 1871 +CONECT 1874 1875 1876 +CONECT 1875 1874 +CONECT 1876 1874 +CONECT 1877 1878 1879 +CONECT 1878 1877 +CONECT 1879 1877 +CONECT 1880 1881 1882 +CONECT 1881 1880 +CONECT 1882 1880 +CONECT 1883 1884 1885 +CONECT 1884 1883 +CONECT 1885 1883 +CONECT 1886 1887 1888 +CONECT 1887 1886 +CONECT 1888 1886 +CONECT 1889 1890 1891 +CONECT 1890 1889 +CONECT 1891 1889 +CONECT 1892 1893 1894 +CONECT 1893 1892 +CONECT 1894 1892 +CONECT 1895 1896 1897 +CONECT 1896 1895 +CONECT 1897 1895 +CONECT 1898 1899 1900 +CONECT 1899 1898 +CONECT 1900 1898 +CONECT 1901 1902 1903 +CONECT 1902 1901 +CONECT 1903 1901 +CONECT 1904 1905 1906 +CONECT 1905 1904 +CONECT 1906 1904 +CONECT 1907 1908 1909 +CONECT 1908 1907 +CONECT 1909 1907 +CONECT 1910 1911 1912 +CONECT 1911 1910 +CONECT 1912 1910 +CONECT 1913 1914 1915 +CONECT 1914 1913 +CONECT 1915 1913 +CONECT 1916 1917 1918 +CONECT 1917 1916 +CONECT 1918 1916 +CONECT 1919 1920 1921 +CONECT 1920 1919 +CONECT 1921 1919 +CONECT 1922 1923 1924 +CONECT 1923 1922 +CONECT 1924 1922 +CONECT 1925 1926 1927 +CONECT 1926 1925 +CONECT 1927 1925 +CONECT 1928 1929 1930 +CONECT 1929 1928 +CONECT 1930 1928 +CONECT 1931 1932 1933 +CONECT 1932 1931 +CONECT 1933 1931 +CONECT 1934 1935 1936 +CONECT 1935 1934 +CONECT 1936 1934 +CONECT 1937 1938 1939 +CONECT 1938 1937 +CONECT 1939 1937 +CONECT 1940 1941 1942 +CONECT 1941 1940 +CONECT 1942 1940 +CONECT 1943 1944 1945 +CONECT 1944 1943 +CONECT 1945 1943 +CONECT 1946 1947 1948 +CONECT 1947 1946 +CONECT 1948 1946 +CONECT 1949 1950 1951 +CONECT 1950 1949 +CONECT 1951 1949 +CONECT 1952 1953 1954 +CONECT 1953 1952 +CONECT 1954 1952 +CONECT 1955 1956 1957 +CONECT 1956 1955 +CONECT 1957 1955 +CONECT 1958 1959 1960 +CONECT 1959 1958 +CONECT 1960 1958 +CONECT 1961 1962 1963 +CONECT 1962 1961 +CONECT 1963 1961 +CONECT 1964 1965 1966 +CONECT 1965 1964 +CONECT 1966 1964 +CONECT 1967 1968 1969 +CONECT 1968 1967 +CONECT 1969 1967 +CONECT 1970 1971 1972 +CONECT 1971 1970 +CONECT 1972 1970 +CONECT 1973 1974 1975 +CONECT 1974 1973 +CONECT 1975 1973 +CONECT 1976 1977 1978 +CONECT 1977 1976 +CONECT 1978 1976 +CONECT 1979 1980 1981 +CONECT 1980 1979 +CONECT 1981 1979 +CONECT 1982 1983 1984 +CONECT 1983 1982 +CONECT 1984 1982 +CONECT 1985 1986 1987 +CONECT 1986 1985 +CONECT 1987 1985 +CONECT 1988 1989 1990 +CONECT 1989 1988 +CONECT 1990 1988 +CONECT 1991 1992 1993 +CONECT 1992 1991 +CONECT 1993 1991 +CONECT 1994 1995 1996 +CONECT 1995 1994 +CONECT 1996 1994 +CONECT 1997 1998 1999 +CONECT 1998 1997 +CONECT 1999 1997 +CONECT 2000 2001 2002 +CONECT 2001 2000 +CONECT 2002 2000 +CONECT 2003 2004 2005 +CONECT 2004 2003 +CONECT 2005 2003 +CONECT 2006 2007 2008 +CONECT 2007 2006 +CONECT 2008 2006 +CONECT 2009 2010 2011 +CONECT 2010 2009 +CONECT 2011 2009 +CONECT 2012 2013 2014 +CONECT 2013 2012 +CONECT 2014 2012 +CONECT 2015 2016 2017 +CONECT 2016 2015 +CONECT 2017 2015 +CONECT 2018 2019 2020 +CONECT 2019 2018 +CONECT 2020 2018 +CONECT 2021 2022 2023 +CONECT 2022 2021 +CONECT 2023 2021 +CONECT 2024 2025 2026 +CONECT 2025 2024 +CONECT 2026 2024 +CONECT 2027 2028 2029 +CONECT 2028 2027 +CONECT 2029 2027 +CONECT 2030 2031 2032 +CONECT 2031 2030 +CONECT 2032 2030 +CONECT 2033 2034 2035 +CONECT 2034 2033 +CONECT 2035 2033 +CONECT 2036 2037 2038 +CONECT 2037 2036 +CONECT 2038 2036 +CONECT 2039 2040 2041 +CONECT 2040 2039 +CONECT 2041 2039 +CONECT 2042 2043 2044 +CONECT 2043 2042 +CONECT 2044 2042 +CONECT 2045 2046 2047 +CONECT 2046 2045 +CONECT 2047 2045 +CONECT 2048 2049 2050 +CONECT 2049 2048 +CONECT 2050 2048 +CONECT 2051 2052 2053 +CONECT 2052 2051 +CONECT 2053 2051 +CONECT 2054 2055 2056 +CONECT 2055 2054 +CONECT 2056 2054 +END diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/PREPARATION_DETAILS.md b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/PREPARATION_DETAILS.md new file mode 100644 index 0000000..39e9b0d --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/PREPARATION_DETAILS.md @@ -0,0 +1,31 @@ +# Preperation of systems + +Done by J. Bluck + +
    +
  1. Read in original inputs from the repo +
  2. Duplicate the input, to ensure there is a reference to comapre to +
  3. If multiple ligands, extract preferred ligand input (after discussion with the OpenFE team) +
  4. Extract all cofactors into a single maestro entries that are saved into one file +
  5. Check the sequence to see if it contains any non-natural amino acids, mutate back if I do +
  6. Check all caps to see if any need to be charged or not. Leave residue if charged +
  7. Open the Protein preparation wizard (Schrodinger 2024-2), if caps are needed +
  8. Run only step 3 - "Preprocess". The only three options activated are: +
      +
    • Cap termini +
    • Convert selomethionines to methionines +
    • Include peptides when capping termini +
    +
  9. Change the cap names if not ACE, NME: +
      +
    • Highlight all waters +
    • Builder > Other Edits > Change Atom Properties > Property: Residue/Chain Name +
    • Residue name "NME" +
    +
  10. Export outputs, named "ligand.sdf", "protein.pdb" and optionally "cofactors.sdf" +
  11. Run input through validation script +
  12. Scrub files of sensitive information +
+ +Partial charges for the cofactors were generated with the "charge_offmol.py" script. +Ligands were charged using the "charge_molecules.py" script. diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/cofactors.sdf b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/cofactors.sdf new file mode 100644 index 0000000..a3245bf --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/cofactors.sdf @@ -0,0 +1,297 @@ +Cofactor1 + 3D + Schrodinger Suite 2024-2. + 49 48 0 0 1 0 999 V2000 + 24.5370 130.5390 -1.0900 C 0 0 0 0 0 0 + 24.0810 131.7440 -0.4780 O 0 0 0 0 0 0 + 23.3700 129.7300 -1.6110 C 0 0 0 0 0 0 + 23.0350 129.6020 -2.9350 C 0 0 0 0 0 0 + 23.8070 130.2650 -4.0560 C 0 0 0 0 0 0 + 21.8520 128.7790 -3.4310 C 0 0 0 0 0 0 + 20.6880 128.6250 -2.4370 C 0 0 0 0 0 0 + 19.4410 128.0770 -3.0840 C 0 0 0 0 0 0 + 18.2510 127.8950 -2.4570 C 0 0 0 0 0 0 + 17.9990 128.2210 -1.0040 C 0 0 0 0 0 0 + 17.0420 127.3390 -3.1620 C 0 0 0 0 0 0 + 16.3020 128.2920 -4.0850 C 0 0 0 0 0 0 + 15.0930 127.6130 -4.6830 C 0 0 0 0 0 0 + 14.2670 128.1550 -5.5920 C 0 0 0 0 0 0 + 14.4280 129.5470 -6.1630 C 0 0 0 0 0 0 + 13.0880 127.4060 -6.1320 C 0 0 0 0 0 0 + 24.7820 132.1870 0.8860 P 0 0 0 0 0 0 + 26.2750 132.1470 0.8180 O 0 0 0 0 0 0 + 24.2400 133.5990 1.1780 O 0 5 0 0 0 0 + 24.2020 131.2570 2.0450 O 0 0 0 0 0 0 + 24.9170 130.2300 3.0290 P 0 0 0 0 0 0 + 26.0010 130.8700 3.8570 O 0 0 0 0 0 0 + 25.4350 129.1050 2.1050 O 0 5 0 0 0 0 + 23.7640 129.6740 3.9040 O 0 5 0 0 0 0 + 25.0911 129.9485 -0.3604 H 0 0 0 0 0 0 + 25.2073 130.7818 -1.9146 H 0 0 0 0 0 0 + 22.7818 129.2318 -0.8546 H 0 0 0 0 0 0 + 23.3479 130.0138 -5.0121 H 0 0 0 0 0 0 + 23.7912 131.3462 -3.9188 H 0 0 0 0 0 0 + 24.8385 129.9129 -4.0452 H 0 0 0 0 0 0 + 22.2014 127.7914 -3.7321 H 0 0 0 0 0 0 + 21.4778 129.2098 -4.3597 H 0 0 0 0 0 0 + 20.4668 129.5921 -1.9855 H 0 0 0 0 0 0 + 20.9920 127.9680 -1.6221 H 0 0 0 0 0 0 + 19.5457 127.8220 -4.1282 H 0 0 0 0 0 0 + 16.9658 127.9824 -0.7515 H 0 0 0 0 0 0 + 18.6705 127.6338 -0.3776 H 0 0 0 0 0 0 + 18.1785 129.2824 -0.8328 H 0 0 0 0 0 0 + 16.3462 126.9420 -2.4229 H 0 0 0 0 0 0 + 17.3300 126.4487 -3.7210 H 0 0 0 0 0 0 + 16.9693 128.6149 -4.8841 H 0 0 0 0 0 0 + 15.9841 129.1693 -3.5217 H 0 0 0 0 0 0 + 14.9155 126.6108 -4.3218 H 0 0 0 0 0 0 + 13.6286 129.7417 -6.8779 H 0 0 0 0 0 0 + 14.3798 130.2788 -5.3567 H 0 0 0 0 0 0 + 15.3917 129.6246 -6.6663 H 0 0 0 0 0 0 + 12.5590 128.0303 -6.8521 H 0 0 0 0 0 0 + 13.4297 126.4951 -6.6236 H 0 0 0 0 0 0 + 12.4160 127.1466 -5.3140 H 0 0 0 0 0 0 + 1 2 1 0 0 0 + 1 3 1 0 0 0 + 1 25 1 0 0 0 + 1 26 1 0 0 0 + 2 17 1 0 0 0 + 3 4 2 0 0 0 + 3 27 1 0 0 0 + 4 5 1 0 0 0 + 4 6 1 0 0 0 + 5 28 1 0 0 0 + 5 29 1 0 0 0 + 5 30 1 0 0 0 + 6 7 1 0 0 0 + 6 31 1 0 0 0 + 6 32 1 0 0 0 + 7 8 1 0 0 0 + 7 33 1 0 0 0 + 7 34 1 0 0 0 + 8 9 2 0 0 0 + 8 35 1 0 0 0 + 9 10 1 0 0 0 + 9 11 1 0 0 0 + 10 36 1 0 0 0 + 10 37 1 0 0 0 + 10 38 1 0 0 0 + 11 12 1 0 0 0 + 11 39 1 0 0 0 + 11 40 1 0 0 0 + 12 13 1 0 0 0 + 12 41 1 0 0 0 + 12 42 1 0 0 0 + 13 14 2 0 0 0 + 13 43 1 0 0 0 + 14 15 1 0 0 0 + 14 16 1 0 0 0 + 15 44 1 0 0 0 + 15 45 1 0 0 0 + 15 46 1 0 0 0 + 16 47 1 0 0 0 + 16 48 1 0 0 0 + 16 49 1 0 0 0 + 17 18 2 0 0 0 + 17 19 1 0 0 0 + 17 20 1 0 0 0 + 20 21 1 0 0 0 + 21 22 2 0 0 0 + 21 23 1 0 0 0 + 21 24 1 0 0 0 +M CHG 3 19 -1 23 -1 24 -1 +M END +> +1 + +> +0 + +> +0 + +> +1 + +> +1 + +> +7.4 + +> +ftase_extraligs_custcore_stereo_protein.pdb + +> +path\input_structures\original_structures\bayer_macrocycles + +> +84 + +> +Structure83_mol1 + +> +Bayer_macrocycles->Ftase->Cofactors reprepared_split_by_molecule + +> +Bayer_macrocycles->Ftase->Cofactors reprepared_split_by_molecule + +> +1LD7 - hbond-opt + +> +3.0 + +> 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23], [24, 24], [25, 25], [26, 26], [27, 27], [28, 28], [29, 29], [30, 30], [31, 31], [32, 32]]\n {\"score\": 0.9048374180359595}\n \n \n [[44, 50], [45, 55], [47, 56], [17, 24], [20, 26], [21, 20], [24, 22], [25, 17], [26, 19], [27, 23], [28, 27]]\n {\"score\": 0.0030275547453758127}\n \n \n [[44, 48], [45, 44], [17, 22], [20, 24], [21, 18], [24, 20], [25, 16], [26, 17], [27, 21]]\n {\"score\": 0.0027394448187683684}\n \n \n [[44, 50], [45, 55], [47, 56], [17, 24], [20, 26], [21, 20], [24, 22], [25, 17], [26, 19], [27, 23], [28, 27]]\n {\"score\": 0.003345965457471272}\n \n \n [[44, 48], [45, 44], [17, 22], [20, 24], [21, 18], [24, 20], [25, 16], [26, 17], [27, 21]]\n {\"score\": 0.0030275547453758127}\n \n \n [[34, 34], [35, 35], [36, 36], [37, 37], [38, 38], [39, 39], [40, 40], [41, 41], [42, 42], [43, 43], [44, 44], [46, 46], [47, 47], [48, 48], [49, 49], [50, 50], [51, 51], [52, 52], [53, 53], [54, 54], [55, 55], [56, 56], [0, 0], [1, 1], [2, 2], [3, 3], [4, 4], [5, 5], [6, 6], [7, 7], [8, 8], [9, 9], [10, 10], [11, 11], [12, 12], [13, 13], [14, 14], [15, 15], [16, 16], [17, 17], [18, 18], [19, 19], [20, 20], [21, 21], [22, 22], [23, 23], [24, 24], [25, 25], [26, 26], [27, 27], [28, 28], [29, 29], [30, 30], [31, 31], [32, 32], [33, 33]]\n {\"score\": 0.9048374180359595}\n \n \n", "__qualname__": "LigandNetwork", "__module__": "gufe.ligandnetwork", ":version:": 1}]] \ No newline at end of file diff --git a/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/protein.pdb b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/protein.pdb new file mode 100644 index 0000000..cb0fbd2 --- /dev/null +++ b/openfe_benchmarks/data/benchmark_systems/bayer_macrocycles/ftase/protein.pdb @@ -0,0 +1,14770 @@ +TITLE 1LD7 - hbond-opt +REMARK 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +HET ZN B1001 1 +HETNAM ZN ZINC ION +FORMUL 1 ZN ZN 2+ +FORMUL 2 HOH *520(H2 0) +ATOM 1 CH3 ACE A 54 28.527 156.849 -16.829 1.00 0.00 C +ATOM 2 C ACE A 54 28.461 158.361 -16.615 1.00 0.00 C +ATOM 3 O ACE A 54 29.285 158.910 -15.887 1.00 0.00 O +ATOM 4 1H ACE A 54 29.379 156.429 -16.249 1.00 0.00 H +ATOM 5 2H ACE A 54 27.577 156.382 -16.487 1.00 0.00 H +ATOM 6 3H ACE A 54 28.670 156.631 -17.911 1.00 0.00 H +ATOM 7 N PHE A 55 27.482 159.109 -17.236 1.00 55.08 N +ATOM 8 CA PHE A 55 27.423 160.585 -17.023 1.00 54.82 C +ATOM 9 C PHE A 55 27.225 160.964 -15.557 1.00 53.76 C +ATOM 10 O PHE A 55 28.173 161.363 -14.875 1.00 53.86 O +ATOM 11 CB PHE A 55 26.298 161.197 -17.866 1.00 56.13 C +ATOM 12 CG PHE A 55 26.692 161.491 -19.289 1.00 57.47 C +ATOM 13 CD1 PHE A 55 25.815 162.159 -20.139 1.00 58.20 C +ATOM 14 CD2 PHE A 55 27.949 161.125 -19.772 1.00 58.39 C +ATOM 15 CE1 PHE A 55 26.185 162.464 -21.454 1.00 58.90 C +ATOM 16 CE2 PHE A 55 28.331 161.424 -21.085 1.00 59.05 C +ATOM 17 CZ PHE A 55 27.445 162.098 -21.928 1.00 59.13 C +ATOM 18 H1 PHE A 55 26.805 158.657 -17.835 1.00 55.08 H +ATOM 19 HA PHE A 55 28.368 161.013 -17.358 1.00 54.82 H +ATOM 20 HB3 PHE A 55 25.948 162.114 -17.392 1.00 56.13 H +ATOM 21 HB2 PHE A 55 25.437 160.529 -17.861 1.00 56.13 H +ATOM 22 HD1 PHE A 55 24.836 162.448 -19.787 1.00 58.20 H +ATOM 23 HD2 PHE A 55 28.644 160.604 -19.131 1.00 58.39 H +ATOM 24 HE1 PHE A 55 25.495 162.985 -22.102 1.00 58.90 H +ATOM 25 HE2 PHE A 55 29.308 161.133 -21.442 1.00 59.05 H +ATOM 26 HZ PHE A 55 27.730 162.336 -22.943 1.00 59.13 H +ATOM 27 N VAL A 56 25.991 160.843 -15.078 1.00 51.87 N +ATOM 28 CA VAL A 56 25.687 161.180 -13.697 1.00 49.65 C +ATOM 29 C VAL A 56 24.977 160.054 -12.955 1.00 48.06 C +ATOM 30 O VAL A 56 23.997 159.489 -13.441 1.00 47.42 O +ATOM 31 CB VAL A 56 24.836 162.464 -13.620 1.00 49.59 C +ATOM 32 CG1 VAL A 56 25.683 163.656 -14.008 1.00 49.95 C +ATOM 33 CG2 VAL A 56 23.636 162.356 -14.550 1.00 49.48 C +ATOM 34 H VAL A 56 25.247 160.512 -15.676 1.00 51.87 H +ATOM 35 HA VAL A 56 26.630 161.374 -13.186 1.00 49.65 H +ATOM 36 HB VAL A 56 24.483 162.596 -12.597 1.00 49.59 H +ATOM 37 HG11 VAL A 56 25.081 164.563 -13.953 1.00 49.95 H +ATOM 38 HG12 VAL A 56 26.529 163.739 -13.325 1.00 49.95 H +ATOM 39 HG13 VAL A 56 26.050 163.525 -15.026 1.00 49.95 H +ATOM 40 HG21 VAL A 56 23.043 163.269 -14.486 1.00 49.48 H +ATOM 41 HG22 VAL A 56 23.981 162.219 -15.574 1.00 49.48 H +ATOM 42 HG23 VAL A 56 23.023 161.504 -14.256 1.00 49.48 H +ATOM 43 N SER A 57 25.492 159.745 -11.769 1.00 46.34 N +ATOM 44 CA SER A 57 24.953 158.696 -10.914 1.00 45.06 C +ATOM 45 C SER A 57 23.699 159.122 -10.149 1.00 43.66 C +ATOM 46 O SER A 57 23.423 160.312 -9.995 1.00 43.75 O +ATOM 47 CB SER A 57 26.025 158.252 -9.918 1.00 45.23 C +ATOM 48 OG SER A 57 25.456 157.503 -8.858 1.00 47.04 O +ATOM 49 H SER A 57 26.296 160.248 -11.421 1.00 46.34 H +ATOM 50 HA SER A 57 24.696 157.843 -11.542 1.00 45.06 H +ATOM 51 HB3 SER A 57 26.529 159.129 -9.512 1.00 45.23 H +ATOM 52 HB2 SER A 57 26.770 157.645 -10.432 1.00 45.23 H +ATOM 53 HG SER A 57 25.729 156.586 -8.931 1.00 47.04 H +ATOM 54 N LEU A 58 22.952 158.134 -9.665 1.00 42.02 N +ATOM 55 CA LEU A 58 21.727 158.375 -8.909 1.00 40.64 C +ATOM 56 C LEU A 58 21.975 159.172 -7.638 1.00 39.74 C +ATOM 57 O LEU A 58 21.060 159.799 -7.109 1.00 38.86 O +ATOM 58 CB LEU A 58 21.070 157.047 -8.528 1.00 40.67 C +ATOM 59 CG LEU A 58 20.189 156.344 -9.559 1.00 41.52 C +ATOM 60 CD1 LEU A 58 20.034 154.886 -9.168 1.00 42.37 C +ATOM 61 CD2 LEU A 58 18.833 157.029 -9.636 1.00 41.04 C +ATOM 62 H LEU A 58 23.225 157.174 -9.816 1.00 42.02 H +ATOM 63 HA LEU A 58 21.036 158.935 -9.539 1.00 40.64 H +ATOM 64 HB3 LEU A 58 20.503 157.182 -7.607 1.00 40.67 H +ATOM 65 HB2 LEU A 58 21.839 156.355 -8.185 1.00 40.67 H +ATOM 66 HG LEU A 58 20.671 156.401 -10.535 1.00 41.52 H +ATOM 67 HD11 LEU A 58 19.406 154.378 -9.900 1.00 42.37 H +ATOM 68 HD12 LEU A 58 21.015 154.411 -9.140 1.00 42.37 H +ATOM 69 HD13 LEU A 58 19.570 154.820 -8.184 1.00 42.37 H +ATOM 70 HD21 LEU A 58 18.211 156.522 -10.373 1.00 41.04 H +ATOM 71 HD22 LEU A 58 18.348 156.987 -8.661 1.00 41.04 H +ATOM 72 HD23 LEU A 58 18.967 158.070 -9.930 1.00 41.04 H +ATOM 73 N ASP A 59 23.205 159.136 -7.139 1.00 39.09 N +ATOM 74 CA ASP A 59 23.529 159.859 -5.919 1.00 38.95 C +ATOM 75 C ASP A 59 24.261 161.172 -6.181 1.00 37.65 C +ATOM 76 O ASP A 59 24.520 161.929 -5.250 1.00 38.29 O +ATOM 77 CB ASP A 59 24.386 158.993 -4.994 1.00 41.05 C +ATOM 78 CG ASP A 59 23.880 157.569 -4.891 1.00 43.59 C +ATOM 79 OD1 ASP A 59 24.208 156.757 -5.790 1.00 44.75 O +ATOM 80 OD2 ASP A 59 23.150 157.266 -3.918 1.00 44.09 O1- +ATOM 81 H ASP A 59 23.924 158.603 -7.607 1.00 39.09 H +ATOM 82 HA ASP A 59 22.597 160.088 -5.402 1.00 38.95 H +ATOM 83 HB3 ASP A 59 24.413 159.441 -4.001 1.00 41.05 H +ATOM 84 HB2 ASP A 59 25.415 158.986 -5.354 1.00 41.05 H +ATOM 85 N SER A 60 24.601 161.438 -7.438 1.00 35.93 N +ATOM 86 CA SER A 60 25.314 162.668 -7.784 1.00 34.61 C +ATOM 87 C SER A 60 24.508 163.905 -7.417 1.00 32.89 C +ATOM 88 O SER A 60 23.293 163.940 -7.594 1.00 32.76 O +ATOM 89 CB SER A 60 25.629 162.702 -9.277 1.00 34.96 C +ATOM 90 OG SER A 60 26.480 161.629 -9.639 1.00 37.08 O +ATOM 91 H SER A 60 24.367 160.787 -8.173 1.00 35.93 H +ATOM 92 HA SER A 60 26.253 162.691 -7.231 1.00 34.61 H +ATOM 93 HB3 SER A 60 26.111 163.647 -9.525 1.00 34.96 H +ATOM 94 HB2 SER A 60 24.701 162.636 -9.845 1.00 34.96 H +ATOM 95 HG SER A 60 27.303 161.694 -9.149 1.00 37.08 H +ATOM 96 N PRO A 61 25.180 164.949 -6.909 1.00 31.89 N +ATOM 97 CA PRO A 61 24.453 166.166 -6.539 1.00 30.74 C +ATOM 98 C PRO A 61 23.712 166.810 -7.712 1.00 29.75 C +ATOM 99 O PRO A 61 22.696 167.468 -7.513 1.00 29.46 O +ATOM 100 CB PRO A 61 25.551 167.062 -5.963 1.00 30.84 C +ATOM 101 CG PRO A 61 26.767 166.630 -6.720 1.00 31.58 C +ATOM 102 CD PRO A 61 26.632 165.127 -6.725 1.00 31.30 C +ATOM 103 HA PRO A 61 23.737 165.929 -5.752 1.00 30.74 H +ATOM 104 HB3 PRO A 61 25.685 166.832 -4.906 1.00 30.84 H +ATOM 105 HB2 PRO A 61 25.329 168.102 -6.203 1.00 30.84 H +ATOM 106 HG3 PRO A 61 27.658 166.909 -6.157 1.00 31.58 H +ATOM 107 HG2 PRO A 61 26.703 167.000 -7.743 1.00 31.58 H +ATOM 108 HD2 PRO A 61 27.155 164.723 -7.592 1.00 31.30 H +ATOM 109 HD3 PRO A 61 26.920 164.738 -5.749 1.00 31.30 H +ATOM 110 N SER A 62 24.203 166.603 -8.932 1.00 28.94 N +ATOM 111 CA SER A 62 23.559 167.190 -10.102 1.00 28.59 C +ATOM 112 C SER A 62 22.630 166.228 -10.840 1.00 28.33 C +ATOM 113 O SER A 62 22.192 166.513 -11.957 1.00 28.79 O +ATOM 114 CB SER A 62 24.612 167.732 -11.077 1.00 28.47 C +ATOM 115 OG SER A 62 25.245 166.691 -11.800 1.00 29.30 O +ATOM 116 H SER A 62 25.029 166.035 -9.054 1.00 28.94 H +ATOM 117 HA SER A 62 22.959 168.033 -9.762 1.00 28.59 H +ATOM 118 HB3 SER A 62 25.362 168.297 -10.523 1.00 28.47 H +ATOM 119 HB2 SER A 62 24.139 168.422 -11.775 1.00 28.47 H +ATOM 120 HG SER A 62 24.588 166.207 -12.305 1.00 29.30 H +ATOM 121 N TYR A 63 22.323 165.091 -10.227 1.00 27.89 N +ATOM 122 CA TYR A 63 21.429 164.125 -10.856 1.00 27.48 C +ATOM 123 C TYR A 63 20.063 164.767 -11.103 1.00 27.47 C +ATOM 124 O TYR A 63 19.544 165.479 -10.250 1.00 27.53 O +ATOM 125 CB TYR A 63 21.244 162.903 -9.961 1.00 27.27 C +ATOM 126 CG TYR A 63 20.279 161.879 -10.522 1.00 27.15 C +ATOM 127 CD1 TYR A 63 20.692 160.956 -11.480 1.00 26.51 C +ATOM 128 CD2 TYR A 63 18.948 161.847 -10.106 1.00 26.40 C +ATOM 129 CE1 TYR A 63 19.802 160.023 -12.011 1.00 26.58 C +ATOM 130 CE2 TYR A 63 18.049 160.918 -10.632 1.00 26.17 C +ATOM 131 CZ TYR A 63 18.483 160.007 -11.583 1.00 26.51 C +ATOM 132 OH TYR A 63 17.606 159.071 -12.093 1.00 25.55 O +ATOM 133 H TYR A 63 22.710 164.888 -9.317 1.00 27.89 H +ATOM 134 HA TYR A 63 21.855 163.810 -11.809 1.00 27.48 H +ATOM 135 HB3 TYR A 63 20.900 163.224 -8.978 1.00 27.27 H +ATOM 136 HB2 TYR A 63 22.211 162.431 -9.789 1.00 27.27 H +ATOM 137 HD1 TYR A 63 21.716 160.956 -11.824 1.00 26.51 H +ATOM 138 HD2 TYR A 63 18.597 162.548 -9.364 1.00 26.40 H +ATOM 139 HE1 TYR A 63 20.141 159.315 -12.753 1.00 26.58 H +ATOM 140 HE2 TYR A 63 17.022 160.912 -10.298 1.00 26.17 H +ATOM 141 HH TYR A 63 16.738 159.199 -11.704 1.00 25.55 H +ATOM 142 N VAL A 64 19.484 164.507 -12.270 1.00 27.55 N +ATOM 143 CA VAL A 64 18.174 165.048 -12.618 1.00 27.50 C +ATOM 144 C VAL A 64 17.239 163.905 -12.993 1.00 28.00 C +ATOM 145 O VAL A 64 17.645 162.988 -13.708 1.00 27.91 O +ATOM 146 CB VAL A 64 18.273 166.012 -13.821 1.00 27.49 C +ATOM 147 CG1 VAL A 64 16.881 166.462 -14.251 1.00 27.30 C +ATOM 148 CG2 VAL A 64 19.128 167.212 -13.456 1.00 27.13 C +ATOM 149 H VAL A 64 19.951 163.919 -12.945 1.00 27.55 H +ATOM 150 HA VAL A 64 17.765 165.583 -11.761 1.00 27.50 H +ATOM 151 HB VAL A 64 18.743 165.487 -14.653 1.00 27.49 H +ATOM 152 HG11 VAL A 64 16.964 167.141 -15.099 1.00 27.30 H +ATOM 153 HG12 VAL A 64 16.290 165.592 -14.538 1.00 27.30 H +ATOM 154 HG13 VAL A 64 16.392 166.974 -13.422 1.00 27.30 H +ATOM 155 HG21 VAL A 64 19.192 167.887 -14.311 1.00 27.13 H +ATOM 156 HG22 VAL A 64 18.678 167.737 -12.613 1.00 27.13 H +ATOM 157 HG23 VAL A 64 20.128 166.877 -13.183 1.00 27.13 H +ATOM 158 N LEU A 65 15.995 163.955 -12.513 1.00 28.34 N +ATOM 159 CA LEU A 65 15.015 162.916 -12.831 1.00 29.13 C +ATOM 160 C LEU A 65 14.773 162.917 -14.333 1.00 29.39 C +ATOM 161 O LEU A 65 14.833 163.964 -14.976 1.00 29.69 O +ATOM 162 CB LEU A 65 13.684 163.170 -12.122 1.00 29.71 C +ATOM 163 CG LEU A 65 13.672 163.224 -10.597 1.00 31.38 C +ATOM 164 CD1 LEU A 65 12.254 163.506 -10.115 1.00 31.91 C +ATOM 165 CD2 LEU A 65 14.186 161.923 -10.027 1.00 30.82 C +ATOM 166 H LEU A 65 15.714 164.721 -11.918 1.00 28.34 H +ATOM 167 HA LEU A 65 15.407 161.945 -12.528 1.00 29.13 H +ATOM 168 HB3 LEU A 65 12.955 162.432 -12.459 1.00 29.71 H +ATOM 169 HB2 LEU A 65 13.240 164.084 -12.515 1.00 29.71 H +ATOM 170 HG LEU A 65 14.323 164.034 -10.269 1.00 31.38 H +ATOM 171 HD11 LEU A 65 12.242 163.545 -9.026 1.00 31.91 H +ATOM 172 HD12 LEU A 65 11.916 164.461 -10.516 1.00 31.91 H +ATOM 173 HD13 LEU A 65 11.589 162.713 -10.457 1.00 31.91 H +ATOM 174 HD21 LEU A 65 14.173 161.973 -8.938 1.00 30.82 H +ATOM 175 HD22 LEU A 65 13.550 161.103 -10.360 1.00 30.82 H +ATOM 176 HD23 LEU A 65 15.206 161.753 -10.371 1.00 30.82 H +ATOM 177 N TYR A 66 14.490 161.748 -14.893 1.00 29.00 N +ATOM 178 CA TYR A 66 14.253 161.655 -16.323 1.00 28.55 C +ATOM 179 C TYR A 66 13.066 162.487 -16.792 1.00 28.96 C +ATOM 180 O TYR A 66 13.067 162.988 -17.915 1.00 28.73 O +ATOM 181 CB TYR A 66 14.087 160.186 -16.737 1.00 27.50 C +ATOM 182 CG TYR A 66 15.410 159.441 -16.758 1.00 27.22 C +ATOM 183 CD1 TYR A 66 16.015 159.022 -15.573 1.00 26.34 C +ATOM 184 CD2 TYR A 66 16.094 159.227 -17.957 1.00 26.36 C +ATOM 185 CE1 TYR A 66 17.272 158.415 -15.581 1.00 26.29 C +ATOM 186 CE2 TYR A 66 17.350 158.622 -17.974 1.00 26.51 C +ATOM 187 CZ TYR A 66 17.931 158.221 -16.780 1.00 26.47 C +ATOM 188 OH TYR A 66 19.175 157.638 -16.786 1.00 27.20 O +ATOM 189 H TYR A 66 14.438 160.915 -14.324 1.00 29.00 H +ATOM 190 HA TYR A 66 15.140 162.038 -16.827 1.00 28.55 H +ATOM 191 HB3 TYR A 66 13.629 160.138 -17.725 1.00 27.50 H +ATOM 192 HB2 TYR A 66 13.402 159.690 -16.049 1.00 27.50 H +ATOM 193 HD1 TYR A 66 15.510 159.166 -14.629 1.00 26.34 H +ATOM 194 HD2 TYR A 66 15.650 159.532 -18.894 1.00 26.36 H +ATOM 195 HE1 TYR A 66 17.725 158.100 -14.652 1.00 26.29 H +ATOM 196 HE2 TYR A 66 17.863 158.468 -18.912 1.00 26.51 H +ATOM 197 HH TYR A 66 19.474 157.513 -15.882 1.00 27.20 H +ATOM 198 N ARG A 67 12.059 162.650 -15.939 1.00 29.20 N +ATOM 199 CA ARG A 67 10.898 163.440 -16.324 1.00 30.21 C +ATOM 200 C ARG A 67 11.257 164.920 -16.455 1.00 30.87 C +ATOM 201 O ARG A 67 10.447 165.716 -16.931 1.00 31.05 O +ATOM 202 CB ARG A 67 9.757 163.275 -15.313 1.00 29.98 C +ATOM 203 CG ARG A 67 10.038 163.799 -13.912 1.00 30.69 C +ATOM 204 CD ARG A 67 8.740 163.869 -13.105 1.00 30.99 C +ATOM 205 NE ARG A 67 8.931 164.406 -11.760 1.00 32.10 N +ATOM 206 CZ ARG A 67 9.016 163.666 -10.659 1.00 32.82 C +ATOM 207 NH1 ARG A 67 8.924 162.345 -10.733 1.00 33.97 N +ATOM 208 NH2 ARG A 67 9.195 164.247 -9.481 1.00 32.97 N1+ +ATOM 209 H ARG A 67 12.099 162.226 -15.023 1.00 29.20 H +ATOM 210 HA ARG A 67 10.549 163.085 -17.294 1.00 30.21 H +ATOM 211 HB3 ARG A 67 9.477 162.223 -15.254 1.00 29.98 H +ATOM 212 HB2 ARG A 67 8.859 163.753 -15.702 1.00 29.98 H +ATOM 213 HG3 ARG A 67 10.478 164.794 -13.978 1.00 30.69 H +ATOM 214 HG2 ARG A 67 10.742 163.135 -13.410 1.00 30.69 H +ATOM 215 HD3 ARG A 67 8.301 162.873 -13.038 1.00 30.99 H +ATOM 216 HD2 ARG A 67 8.014 164.481 -13.640 1.00 30.99 H +ATOM 217 HE ARG A 67 8.999 165.412 -11.699 1.00 32.10 H +ATOM 218 HH12 ARG A 67 8.989 161.787 -9.893 1.00 33.97 H +ATOM 219 HH11 ARG A 67 8.789 161.898 -11.628 1.00 33.97 H +ATOM 220 HH22 ARG A 67 9.260 163.685 -8.644 1.00 32.97 H +ATOM 221 HH21 ARG A 67 9.267 165.253 -9.419 1.00 32.97 H +ATOM 222 N ASP A 68 12.470 165.282 -16.040 1.00 30.81 N +ATOM 223 CA ASP A 68 12.931 166.668 -16.118 1.00 31.18 C +ATOM 224 C ASP A 68 14.037 166.884 -17.137 1.00 31.72 C +ATOM 225 O ASP A 68 14.486 168.012 -17.330 1.00 32.54 O +ATOM 226 CB ASP A 68 13.429 167.159 -14.757 1.00 30.44 C +ATOM 227 CG ASP A 68 12.322 167.267 -13.739 1.00 30.35 C +ATOM 228 OD1 ASP A 68 11.211 167.671 -14.125 1.00 30.99 O +ATOM 229 OD2 ASP A 68 12.560 166.966 -12.551 1.00 30.89 O1- +ATOM 230 H ASP A 68 13.100 164.591 -15.657 1.00 30.81 H +ATOM 231 HA ASP A 68 12.082 167.287 -16.408 1.00 31.18 H +ATOM 232 HB3 ASP A 68 13.908 168.131 -14.876 1.00 30.44 H +ATOM 233 HB2 ASP A 68 14.198 166.481 -14.387 1.00 30.44 H +ATOM 234 N ARG A 69 14.478 165.812 -17.790 1.00 31.62 N +ATOM 235 CA ARG A 69 15.543 165.915 -18.782 1.00 31.74 C +ATOM 236 C ARG A 69 15.000 166.257 -20.167 1.00 32.10 C +ATOM 237 O ARG A 69 14.135 165.560 -20.698 1.00 31.94 O +ATOM 238 CB ARG A 69 16.332 164.607 -18.838 1.00 30.82 C +ATOM 239 CG ARG A 69 16.891 164.191 -17.484 1.00 30.47 C +ATOM 240 CD ARG A 69 17.831 163.004 -17.597 1.00 29.67 C +ATOM 241 NE ARG A 69 18.304 162.572 -16.286 1.00 30.40 N +ATOM 242 CZ ARG A 69 19.292 161.704 -16.097 1.00 29.97 C +ATOM 243 NH1 ARG A 69 19.915 161.175 -17.140 1.00 30.09 N +ATOM 244 NH2 ARG A 69 19.660 161.370 -14.867 1.00 29.56 N1+ +ATOM 245 H ARG A 69 14.075 164.905 -17.603 1.00 31.62 H +ATOM 246 HA ARG A 69 16.221 166.711 -18.475 1.00 31.74 H +ATOM 247 HB3 ARG A 69 17.149 164.707 -19.552 1.00 30.82 H +ATOM 248 HB2 ARG A 69 15.692 163.814 -19.224 1.00 30.82 H +ATOM 249 HG3 ARG A 69 16.069 163.940 -16.814 1.00 30.47 H +ATOM 250 HG2 ARG A 69 17.421 165.032 -17.037 1.00 30.47 H +ATOM 251 HD3 ARG A 69 18.684 163.275 -18.219 1.00 29.67 H +ATOM 252 HD2 ARG A 69 17.315 162.179 -18.088 1.00 29.67 H +ATOM 253 HE ARG A 69 17.829 162.977 -15.492 1.00 30.40 H +ATOM 254 HH12 ARG A 69 20.666 160.515 -16.999 1.00 30.09 H +ATOM 255 HH11 ARG A 69 19.638 161.432 -18.077 1.00 30.09 H +ATOM 256 HH22 ARG A 69 20.411 160.710 -14.726 1.00 29.56 H +ATOM 257 HH21 ARG A 69 19.189 161.776 -14.071 1.00 29.56 H +ATOM 258 N ALA A 70 15.523 167.331 -20.749 1.00 32.52 N +ATOM 259 CA ALA A 70 15.084 167.786 -22.064 1.00 33.03 C +ATOM 260 C ALA A 70 15.315 166.742 -23.147 1.00 33.03 C +ATOM 261 O ALA A 70 14.511 166.608 -24.067 1.00 32.83 O +ATOM 262 CB ALA A 70 15.795 169.088 -22.431 1.00 32.86 C +ATOM 263 H ALA A 70 16.246 167.858 -20.280 1.00 32.52 H +ATOM 264 HA ALA A 70 14.014 167.988 -22.012 1.00 33.03 H +ATOM 265 HB1 ALA A 70 15.461 169.420 -23.414 1.00 32.86 H +ATOM 266 HB2 ALA A 70 15.559 169.853 -21.691 1.00 32.86 H +ATOM 267 HB3 ALA A 70 16.872 168.922 -22.451 1.00 32.86 H +ATOM 268 N GLU A 71 16.410 165.996 -23.035 1.00 33.48 N +ATOM 269 CA GLU A 71 16.724 164.972 -24.025 1.00 33.38 C +ATOM 270 C GLU A 71 15.775 163.777 -23.933 1.00 33.35 C +ATOM 271 O GLU A 71 15.886 162.832 -24.715 1.00 33.42 O +ATOM 272 CB GLU A 71 18.175 164.494 -23.868 1.00 34.20 C +ATOM 273 CG GLU A 71 18.462 163.756 -22.566 1.00 35.07 C +ATOM 274 CD GLU A 71 18.992 164.659 -21.466 1.00 35.84 C +ATOM 275 OE1 GLU A 71 18.473 165.784 -21.302 1.00 36.26 O +ATOM 276 OE2 GLU A 71 19.925 164.233 -20.752 1.00 36.54 O1- +ATOM 277 H GLU A 71 17.038 166.134 -22.257 1.00 33.48 H +ATOM 278 HA GLU A 71 16.618 165.414 -25.016 1.00 33.38 H +ATOM 279 HB3 GLU A 71 18.847 165.347 -23.955 1.00 34.20 H +ATOM 280 HB2 GLU A 71 18.438 163.855 -24.710 1.00 34.20 H +ATOM 281 HG3 GLU A 71 19.178 162.956 -22.754 1.00 35.07 H +ATOM 282 HG2 GLU A 71 17.553 163.262 -22.222 1.00 35.07 H +ATOM 283 N TRP A 72 14.846 163.818 -22.981 1.00 32.87 N +ATOM 284 CA TRP A 72 13.883 162.731 -22.813 1.00 33.32 C +ATOM 285 C TRP A 72 12.438 163.198 -22.958 1.00 33.87 C +ATOM 286 O TRP A 72 11.513 162.395 -22.855 1.00 34.22 O +ATOM 287 CB TRP A 72 14.044 162.063 -21.441 1.00 32.42 C +ATOM 288 CG TRP A 72 15.186 161.094 -21.352 1.00 31.88 C +ATOM 289 CD1 TRP A 72 16.466 161.358 -20.957 1.00 31.50 C +ATOM 290 CD2 TRP A 72 15.147 159.698 -21.677 1.00 31.76 C +ATOM 291 NE1 TRP A 72 17.226 160.216 -21.012 1.00 31.47 N +ATOM 292 CE2 TRP A 72 16.442 159.181 -21.450 1.00 31.79 C +ATOM 293 CE3 TRP A 72 14.142 158.836 -22.138 1.00 31.55 C +ATOM 294 CZ2 TRP A 72 16.761 157.836 -21.667 1.00 31.76 C +ATOM 295 CZ3 TRP A 72 14.457 157.499 -22.355 1.00 31.67 C +ATOM 296 CH2 TRP A 72 15.758 157.012 -22.118 1.00 32.19 C +ATOM 297 H TRP A 72 14.797 164.611 -22.357 1.00 32.87 H +ATOM 298 HA TRP A 72 14.078 161.982 -23.581 1.00 33.32 H +ATOM 299 HB3 TRP A 72 13.117 161.555 -21.176 1.00 32.42 H +ATOM 300 HB2 TRP A 72 14.163 162.832 -20.677 1.00 32.42 H +ATOM 301 HD1 TRP A 72 16.744 162.359 -20.660 1.00 31.50 H +ATOM 302 HE1 TRP A 72 18.201 160.245 -20.750 1.00 31.47 H +ATOM 303 HE3 TRP A 72 13.146 159.214 -22.318 1.00 31.55 H +ATOM 304 HZ2 TRP A 72 17.764 157.482 -21.480 1.00 31.76 H +ATOM 305 HZ3 TRP A 72 13.699 156.816 -22.710 1.00 31.67 H +ATOM 306 HH2 TRP A 72 15.959 155.966 -22.299 1.00 32.19 H +ATOM 307 N ALA A 73 12.251 164.491 -23.202 1.00 34.38 N +ATOM 308 CA ALA A 73 10.917 165.074 -23.341 1.00 34.94 C +ATOM 309 C ALA A 73 10.083 164.512 -24.494 1.00 35.26 C +ATOM 310 O ALA A 73 8.856 164.574 -24.459 1.00 35.63 O +ATOM 311 CB ALA A 73 11.032 166.592 -23.486 1.00 34.68 C +ATOM 312 H ALA A 73 13.046 165.107 -23.297 1.00 34.38 H +ATOM 313 HA ALA A 73 10.374 164.873 -22.417 1.00 34.94 H +ATOM 314 HB1 ALA A 73 10.037 167.024 -23.590 1.00 34.68 H +ATOM 315 HB2 ALA A 73 11.517 167.006 -22.602 1.00 34.68 H +ATOM 316 HB3 ALA A 73 11.625 166.830 -24.369 1.00 34.68 H +ATOM 317 N ASP A 74 10.743 163.963 -25.506 1.00 35.87 N +ATOM 318 CA ASP A 74 10.047 163.426 -26.673 1.00 36.82 C +ATOM 319 C ASP A 74 9.362 162.084 -26.446 1.00 37.44 C +ATOM 320 O ASP A 74 8.522 161.675 -27.246 1.00 37.66 O +ATOM 321 CB ASP A 74 11.023 163.269 -27.831 1.00 37.52 C +ATOM 322 CG ASP A 74 12.043 162.186 -27.570 1.00 37.89 C +ATOM 323 OD1 ASP A 74 12.012 161.152 -28.268 1.00 38.69 O +ATOM 324 OD2 ASP A 74 12.865 162.368 -26.650 1.00 38.21 O1- +ATOM 325 H ASP A 74 11.751 163.910 -25.482 1.00 35.87 H +ATOM 326 HA ASP A 74 9.285 164.147 -26.971 1.00 36.82 H +ATOM 327 HB3 ASP A 74 11.535 164.216 -28.004 1.00 37.52 H +ATOM 328 HB2 ASP A 74 10.471 163.036 -28.741 1.00 37.52 H +ATOM 329 N ILE A 75 9.728 161.387 -25.380 1.00 37.59 N +ATOM 330 CA ILE A 75 9.119 160.090 -25.110 1.00 37.79 C +ATOM 331 C ILE A 75 8.303 160.149 -23.823 1.00 37.35 C +ATOM 332 O ILE A 75 8.737 160.736 -22.831 1.00 36.99 O +ATOM 333 CB ILE A 75 10.199 158.984 -25.004 1.00 38.35 C +ATOM 334 CG1 ILE A 75 9.539 157.604 -24.935 1.00 39.08 C +ATOM 335 CG2 ILE A 75 11.060 159.213 -23.778 1.00 38.43 C +ATOM 336 CD1 ILE A 75 10.538 156.447 -24.962 1.00 39.29 C +ATOM 337 H ILE A 75 10.430 161.753 -24.753 1.00 37.59 H +ATOM 338 HA ILE A 75 8.450 159.843 -25.934 1.00 37.79 H +ATOM 339 HB ILE A 75 10.832 159.026 -25.891 1.00 38.35 H +ATOM 340 HG13 ILE A 75 8.838 157.496 -25.763 1.00 39.08 H +ATOM 341 HG12 ILE A 75 8.933 157.538 -24.031 1.00 39.08 H +ATOM 342 HG21 ILE A 75 11.816 158.430 -23.713 1.00 38.43 H +ATOM 343 HG22 ILE A 75 11.549 160.184 -23.854 1.00 38.43 H +ATOM 344 HG23 ILE A 75 10.435 159.190 -22.886 1.00 38.43 H +ATOM 345 HD11 ILE A 75 10.000 155.500 -24.909 1.00 39.29 H +ATOM 346 HD12 ILE A 75 11.115 156.486 -25.886 1.00 39.29 H +ATOM 347 HD13 ILE A 75 11.212 156.529 -24.109 1.00 39.29 H +ATOM 348 N ASP A 76 7.109 159.561 -23.858 1.00 36.90 N +ATOM 349 CA ASP A 76 6.229 159.545 -22.694 1.00 36.80 C +ATOM 350 C ASP A 76 6.552 158.365 -21.788 1.00 36.53 C +ATOM 351 O ASP A 76 6.761 157.249 -22.257 1.00 36.42 O +ATOM 352 CB ASP A 76 4.759 159.449 -23.118 1.00 37.37 C +ATOM 353 CG ASP A 76 4.240 160.730 -23.746 1.00 38.61 C +ATOM 354 OD1 ASP A 76 4.406 161.804 -23.131 1.00 39.33 O +ATOM 355 OD2 ASP A 76 3.655 160.662 -24.850 1.00 39.20 O1- +ATOM 356 H ASP A 76 6.792 159.111 -24.705 1.00 36.90 H +ATOM 357 HA ASP A 76 6.373 160.468 -22.133 1.00 36.80 H +ATOM 358 HB3 ASP A 76 4.148 159.197 -22.251 1.00 37.37 H +ATOM 359 HB2 ASP A 76 4.638 158.626 -23.822 1.00 37.37 H +ATOM 360 N PRO A 77 6.597 158.601 -20.470 1.00 35.89 N +ATOM 361 CA PRO A 77 6.894 157.516 -19.537 1.00 35.66 C +ATOM 362 C PRO A 77 5.716 156.545 -19.470 1.00 35.48 C +ATOM 363 O PRO A 77 4.572 156.931 -19.708 1.00 35.39 O +ATOM 364 CB PRO A 77 7.126 158.254 -18.224 1.00 35.70 C +ATOM 365 CG PRO A 77 6.183 159.419 -18.337 1.00 35.68 C +ATOM 366 CD PRO A 77 6.411 159.876 -19.756 1.00 35.52 C +ATOM 367 HA PRO A 77 7.800 156.992 -19.842 1.00 35.66 H +ATOM 368 HB3 PRO A 77 8.151 158.623 -18.196 1.00 35.70 H +ATOM 369 HB2 PRO A 77 6.813 157.618 -17.395 1.00 35.70 H +ATOM 370 HG3 PRO A 77 6.500 160.205 -17.651 1.00 35.68 H +ATOM 371 HG2 PRO A 77 5.158 159.062 -18.235 1.00 35.68 H +ATOM 372 HD2 PRO A 77 5.509 160.365 -20.125 1.00 35.52 H +ATOM 373 HD3 PRO A 77 7.335 160.452 -19.803 1.00 35.52 H +ATOM 374 N VAL A 78 6.004 155.286 -19.160 1.00 35.01 N +ATOM 375 CA VAL A 78 4.970 154.264 -19.062 1.00 34.15 C +ATOM 376 C VAL A 78 4.852 153.773 -17.625 1.00 34.08 C +ATOM 377 O VAL A 78 5.666 152.977 -17.158 1.00 34.11 O +ATOM 378 CB VAL A 78 5.285 153.066 -19.976 1.00 34.19 C +ATOM 379 CG1 VAL A 78 4.297 151.937 -19.722 1.00 33.54 C +ATOM 380 CG2 VAL A 78 5.229 153.503 -21.432 1.00 33.77 C +ATOM 381 H VAL A 78 6.961 155.015 -18.984 1.00 35.01 H +ATOM 382 HA VAL A 78 4.017 154.697 -19.365 1.00 34.15 H +ATOM 383 HB VAL A 78 6.291 152.709 -19.755 1.00 34.19 H +ATOM 384 HG11 VAL A 78 4.530 151.096 -20.375 1.00 33.54 H +ATOM 385 HG12 VAL A 78 4.367 151.620 -18.682 1.00 33.54 H +ATOM 386 HG13 VAL A 78 3.285 152.286 -19.928 1.00 33.54 H +ATOM 387 HG21 VAL A 78 5.452 152.653 -22.076 1.00 33.77 H +ATOM 388 HG22 VAL A 78 4.232 153.880 -21.660 1.00 33.77 H +ATOM 389 HG23 VAL A 78 5.962 154.291 -21.603 1.00 33.77 H +ATOM 390 N PRO A 79 3.837 154.255 -16.898 1.00 33.86 N +ATOM 391 CA PRO A 79 3.657 153.828 -15.507 1.00 34.28 C +ATOM 392 C PRO A 79 3.379 152.329 -15.400 1.00 34.25 C +ATOM 393 O PRO A 79 2.901 151.706 -16.347 1.00 34.28 O +ATOM 394 CB PRO A 79 2.479 154.682 -15.034 1.00 33.83 C +ATOM 395 CG PRO A 79 1.692 154.892 -16.290 1.00 33.93 C +ATOM 396 CD PRO A 79 2.770 155.184 -17.307 1.00 33.62 C +ATOM 397 HA PRO A 79 4.546 154.079 -14.929 1.00 34.28 H +ATOM 398 HB3 PRO A 79 2.851 155.643 -14.678 1.00 33.83 H +ATOM 399 HB2 PRO A 79 1.881 154.108 -14.326 1.00 33.83 H +ATOM 400 HG3 PRO A 79 1.059 155.772 -16.175 1.00 33.93 H +ATOM 401 HG2 PRO A 79 1.188 153.963 -16.557 1.00 33.93 H +ATOM 402 HD2 PRO A 79 2.413 154.904 -18.299 1.00 33.62 H +ATOM 403 HD3 PRO A 79 3.117 156.209 -17.177 1.00 33.62 H +ATOM 404 N GLN A 80 3.699 151.758 -14.245 1.00 34.06 N +ATOM 405 CA GLN A 80 3.479 150.341 -14.003 1.00 34.68 C +ATOM 406 C GLN A 80 1.994 150.109 -13.737 1.00 35.41 C +ATOM 407 O GLN A 80 1.360 150.866 -13.006 1.00 35.45 O +ATOM 408 CB GLN A 80 4.317 149.893 -12.801 1.00 33.96 C +ATOM 409 CG GLN A 80 4.059 148.479 -12.309 1.00 32.80 C +ATOM 410 CD GLN A 80 5.097 148.034 -11.299 1.00 32.35 C +ATOM 411 OE1 GLN A 80 6.186 147.595 -11.669 1.00 32.24 O +ATOM 412 NE2 GLN A 80 4.775 148.165 -10.014 1.00 31.24 N +ATOM 413 H GLN A 80 4.108 152.310 -13.505 1.00 34.06 H +ATOM 414 HA GLN A 80 3.780 149.774 -14.883 1.00 34.68 H +ATOM 415 HB3 GLN A 80 4.170 150.593 -11.979 1.00 33.96 H +ATOM 416 HB2 GLN A 80 5.375 150.004 -13.039 1.00 33.96 H +ATOM 417 HG3 GLN A 80 4.061 147.794 -13.157 1.00 32.80 H +ATOM 418 HG2 GLN A 80 3.068 148.427 -11.857 1.00 32.80 H +ATOM 419 HE22 GLN A 80 5.430 147.884 -9.298 1.00 31.24 H +ATOM 420 HE21 GLN A 80 3.876 148.545 -9.755 1.00 31.24 H +ATOM 421 N ASN A 81 1.431 149.074 -14.342 1.00 36.65 N +ATOM 422 CA ASN A 81 0.019 148.784 -14.134 1.00 37.71 C +ATOM 423 C ASN A 81 -0.153 147.671 -13.106 1.00 37.47 C +ATOM 424 O ASN A 81 -0.051 146.492 -13.439 1.00 37.08 O +ATOM 425 CB ASN A 81 -0.641 148.386 -15.456 1.00 39.18 C +ATOM 426 CG ASN A 81 -2.122 148.105 -15.302 1.00 40.58 C +ATOM 427 OD1 ASN A 81 -2.815 148.759 -14.513 1.00 41.39 O +ATOM 428 ND2 ASN A 81 -2.621 147.137 -16.065 1.00 41.20 N +ATOM 429 H ASN A 81 1.981 148.483 -14.950 1.00 36.65 H +ATOM 430 HA ASN A 81 -0.469 149.683 -13.758 1.00 37.71 H +ATOM 431 HB3 ASN A 81 -0.144 147.504 -15.858 1.00 39.18 H +ATOM 432 HB2 ASN A 81 -0.497 149.183 -16.186 1.00 39.18 H +ATOM 433 HD22 ASN A 81 -3.602 146.903 -16.008 1.00 41.20 H +ATOM 434 HD21 ASN A 81 -2.019 146.635 -16.703 1.00 41.20 H +ATOM 435 N ASP A 82 -0.413 148.055 -11.858 1.00 37.43 N +ATOM 436 CA ASP A 82 -0.593 147.087 -10.783 1.00 38.10 C +ATOM 437 C ASP A 82 -2.050 146.703 -10.568 1.00 38.30 C +ATOM 438 O ASP A 82 -2.355 145.846 -9.735 1.00 38.46 O +ATOM 439 CB ASP A 82 -0.021 147.623 -9.469 1.00 37.99 C +ATOM 440 CG ASP A 82 1.488 147.525 -9.403 1.00 38.17 C +ATOM 441 OD1 ASP A 82 2.038 146.487 -9.814 1.00 37.60 O +ATOM 442 OD2 ASP A 82 2.127 148.483 -8.924 1.00 40.24 O1- +ATOM 443 H ASP A 82 -0.490 149.038 -11.638 1.00 37.43 H +ATOM 444 HA ASP A 82 -0.042 146.184 -11.047 1.00 38.10 H +ATOM 445 HB3 ASP A 82 -0.456 147.075 -8.634 1.00 37.99 H +ATOM 446 HB2 ASP A 82 -0.322 148.663 -9.340 1.00 37.99 H +ATOM 447 N GLY A 83 -2.946 147.333 -11.318 1.00 38.39 N +ATOM 448 CA GLY A 83 -4.356 147.030 -11.171 1.00 38.45 C +ATOM 449 C GLY A 83 -5.033 147.988 -10.210 1.00 38.62 C +ATOM 450 O GLY A 83 -4.357 148.738 -9.503 1.00 37.89 O +ATOM 451 H GLY A 83 -2.646 148.023 -11.991 1.00 38.39 H +ATOM 452 HA3 GLY A 83 -4.472 146.009 -10.808 1.00 38.45 H +ATOM 453 HA2 GLY A 83 -4.843 147.088 -12.145 1.00 38.45 H +ATOM 454 N PRO A 84 -6.375 147.980 -10.156 1.00 39.11 N +ATOM 455 CA PRO A 84 -7.149 148.858 -9.275 1.00 39.44 C +ATOM 456 C PRO A 84 -6.979 148.584 -7.782 1.00 39.79 C +ATOM 457 O PRO A 84 -6.971 149.516 -6.980 1.00 39.84 O +ATOM 458 CB PRO A 84 -8.583 148.638 -9.750 1.00 39.69 C +ATOM 459 CG PRO A 84 -8.568 147.203 -10.185 1.00 39.62 C +ATOM 460 CD PRO A 84 -7.270 147.123 -10.957 1.00 39.32 C +ATOM 461 HA PRO A 84 -6.868 149.891 -9.476 1.00 39.44 H +ATOM 462 HB3 PRO A 84 -8.776 149.274 -10.614 1.00 39.69 H +ATOM 463 HB2 PRO A 84 -9.262 148.750 -8.905 1.00 39.69 H +ATOM 464 HG3 PRO A 84 -9.401 147.026 -10.866 1.00 39.62 H +ATOM 465 HG2 PRO A 84 -8.502 146.562 -9.306 1.00 39.62 H +ATOM 466 HD2 PRO A 84 -6.901 146.098 -10.934 1.00 39.32 H +ATOM 467 HD3 PRO A 84 -7.410 147.571 -11.941 1.00 39.32 H +ATOM 468 N ASN A 85 -6.837 147.314 -7.414 1.00 39.95 N +ATOM 469 CA ASN A 85 -6.677 146.937 -6.009 1.00 40.02 C +ATOM 470 C ASN A 85 -5.373 146.161 -5.848 1.00 39.48 C +ATOM 471 O ASN A 85 -5.376 144.952 -5.602 1.00 39.68 O +ATOM 472 CB ASN A 85 -7.857 146.066 -5.573 1.00 41.23 C +ATOM 473 CG ASN A 85 -9.177 146.537 -6.166 1.00 42.89 C +ATOM 474 OD1 ASN A 85 -9.604 147.671 -5.944 1.00 43.75 O +ATOM 475 ND2 ASN A 85 -9.826 145.664 -6.932 1.00 43.34 N +ATOM 476 H ASN A 85 -6.838 146.583 -8.110 1.00 39.95 H +ATOM 477 HA ASN A 85 -6.643 147.836 -5.394 1.00 40.02 H +ATOM 478 HB3 ASN A 85 -7.927 146.069 -4.486 1.00 41.23 H +ATOM 479 HB2 ASN A 85 -7.674 145.033 -5.870 1.00 41.23 H +ATOM 480 HD22 ASN A 85 -10.708 145.919 -7.353 1.00 43.34 H +ATOM 481 HD21 ASN A 85 -9.437 144.746 -7.093 1.00 43.34 H +ATOM 482 N PRO A 86 -4.236 146.856 -5.969 1.00 38.59 N +ATOM 483 CA PRO A 86 -2.904 146.255 -5.855 1.00 37.69 C +ATOM 484 C PRO A 86 -2.569 145.448 -4.600 1.00 36.13 C +ATOM 485 O PRO A 86 -3.087 145.699 -3.511 1.00 36.22 O +ATOM 486 CB PRO A 86 -1.966 147.454 -6.048 1.00 38.14 C +ATOM 487 CG PRO A 86 -2.767 148.599 -5.545 1.00 38.70 C +ATOM 488 CD PRO A 86 -4.135 148.319 -6.115 1.00 38.57 C +ATOM 489 HA PRO A 86 -2.770 145.595 -6.711 1.00 37.69 H +ATOM 490 HB3 PRO A 86 -1.771 147.590 -7.111 1.00 38.14 H +ATOM 491 HB2 PRO A 86 -1.085 147.327 -5.418 1.00 38.14 H +ATOM 492 HG3 PRO A 86 -2.381 149.524 -5.975 1.00 38.70 H +ATOM 493 HG2 PRO A 86 -2.815 148.554 -4.457 1.00 38.70 H +ATOM 494 HD2 PRO A 86 -4.889 148.794 -5.487 1.00 38.57 H +ATOM 495 HD3 PRO A 86 -4.142 148.575 -7.174 1.00 38.57 H +ATOM 496 N VAL A 87 -1.698 144.463 -4.784 1.00 34.00 N +ATOM 497 CA VAL A 87 -1.233 143.612 -3.700 1.00 32.01 C +ATOM 498 C VAL A 87 0.287 143.693 -3.706 1.00 30.86 C +ATOM 499 O VAL A 87 0.884 144.027 -4.731 1.00 29.41 O +ATOM 500 CB VAL A 87 -1.683 142.150 -3.896 1.00 32.38 C +ATOM 501 CG1 VAL A 87 -3.197 142.060 -3.769 1.00 32.63 C +ATOM 502 CG2 VAL A 87 -1.234 141.641 -5.252 1.00 31.48 C +ATOM 503 H VAL A 87 -1.330 144.280 -5.706 1.00 34.00 H +ATOM 504 HA VAL A 87 -1.615 143.988 -2.751 1.00 32.01 H +ATOM 505 HB VAL A 87 -1.228 141.534 -3.121 1.00 32.38 H +ATOM 506 HG11 VAL A 87 -3.513 141.026 -3.908 1.00 32.63 H +ATOM 507 HG12 VAL A 87 -3.500 142.402 -2.780 1.00 32.63 H +ATOM 508 HG13 VAL A 87 -3.664 142.688 -4.529 1.00 32.63 H +ATOM 509 HG21 VAL A 87 -1.558 140.608 -5.378 1.00 31.48 H +ATOM 510 HG22 VAL A 87 -1.674 142.257 -6.036 1.00 31.48 H +ATOM 511 HG23 VAL A 87 -0.147 141.691 -5.318 1.00 31.48 H +ATOM 512 N VAL A 88 0.902 143.393 -2.563 1.00 29.84 N +ATOM 513 CA VAL A 88 2.355 143.455 -2.410 1.00 29.25 C +ATOM 514 C VAL A 88 2.920 144.674 -3.140 1.00 29.47 C +ATOM 515 O VAL A 88 3.958 144.612 -3.796 1.00 28.34 O +ATOM 516 CB VAL A 88 3.041 142.154 -2.912 1.00 28.88 C +ATOM 517 CG1 VAL A 88 2.531 140.974 -2.103 1.00 28.20 C +ATOM 518 CG2 VAL A 88 2.787 141.936 -4.402 1.00 28.35 C +ATOM 519 H VAL A 88 0.362 143.110 -1.758 1.00 29.84 H +ATOM 520 HA VAL A 88 2.578 143.566 -1.348 1.00 29.25 H +ATOM 521 HB VAL A 88 4.116 142.245 -2.754 1.00 28.88 H +ATOM 522 HG11 VAL A 88 3.010 140.059 -2.453 1.00 28.20 H +ATOM 523 HG12 VAL A 88 2.766 141.126 -1.050 1.00 28.20 H +ATOM 524 HG13 VAL A 88 1.451 140.888 -2.226 1.00 28.20 H +ATOM 525 HG21 VAL A 88 3.279 141.019 -4.725 1.00 28.35 H +ATOM 526 HG22 VAL A 88 1.715 141.855 -4.580 1.00 28.35 H +ATOM 527 HG23 VAL A 88 3.186 142.780 -4.966 1.00 28.35 H +ATOM 528 N GLN A 89 2.210 145.789 -3.000 1.00 30.20 N +ATOM 529 CA GLN A 89 2.585 147.038 -3.633 1.00 31.09 C +ATOM 530 C GLN A 89 3.718 147.734 -2.902 1.00 31.01 C +ATOM 531 O GLN A 89 3.602 148.083 -1.724 1.00 30.89 O +ATOM 532 CB GLN A 89 1.375 147.962 -3.706 1.00 32.62 C +ATOM 533 CG GLN A 89 1.666 149.289 -4.369 1.00 34.78 C +ATOM 534 CD GLN A 89 0.407 150.094 -4.600 1.00 36.73 C +ATOM 535 OE1 GLN A 89 -0.287 150.474 -3.655 1.00 37.31 O +ATOM 536 NE2 GLN A 89 0.099 150.354 -5.868 1.00 37.60 N +ATOM 537 H GLN A 89 1.373 145.787 -2.435 1.00 30.20 H +ATOM 538 HA GLN A 89 2.914 146.823 -4.650 1.00 31.09 H +ATOM 539 HB3 GLN A 89 0.992 148.136 -2.701 1.00 32.62 H +ATOM 540 HB2 GLN A 89 0.568 147.460 -4.241 1.00 32.62 H +ATOM 541 HG3 GLN A 89 2.167 149.116 -5.321 1.00 34.78 H +ATOM 542 HG2 GLN A 89 2.354 149.861 -3.746 1.00 34.78 H +ATOM 543 HE22 GLN A 89 -0.730 150.888 -6.087 1.00 37.60 H +ATOM 544 HE21 GLN A 89 0.694 150.017 -6.611 1.00 37.60 H +ATOM 545 N ILE A 90 4.819 147.930 -3.614 1.00 30.87 N +ATOM 546 CA ILE A 90 5.989 148.579 -3.050 1.00 30.53 C +ATOM 547 C ILE A 90 5.855 150.094 -3.184 1.00 30.84 C +ATOM 548 O ILE A 90 5.592 150.610 -4.269 1.00 29.97 O +ATOM 549 CB ILE A 90 7.272 148.115 -3.773 1.00 30.36 C +ATOM 550 CG1 ILE A 90 7.343 146.584 -3.773 1.00 29.78 C +ATOM 551 CG2 ILE A 90 8.498 148.710 -3.093 1.00 29.97 C +ATOM 552 CD1 ILE A 90 8.452 146.023 -4.634 1.00 28.31 C +ATOM 553 H ILE A 90 4.859 147.626 -4.576 1.00 30.87 H +ATOM 554 HA ILE A 90 6.064 148.321 -1.993 1.00 30.53 H +ATOM 555 HB ILE A 90 7.239 148.465 -4.805 1.00 30.36 H +ATOM 556 HG13 ILE A 90 6.387 146.178 -4.104 1.00 29.78 H +ATOM 557 HG12 ILE A 90 7.465 146.228 -2.750 1.00 29.78 H +ATOM 558 HG21 ILE A 90 9.398 148.377 -3.610 1.00 29.97 H +ATOM 559 HG22 ILE A 90 8.441 149.798 -3.127 1.00 29.97 H +ATOM 560 HG23 ILE A 90 8.533 148.380 -2.055 1.00 29.97 H +ATOM 561 HD11 ILE A 90 8.438 144.935 -4.582 1.00 28.31 H +ATOM 562 HD12 ILE A 90 8.306 146.339 -5.667 1.00 28.31 H +ATOM 563 HD13 ILE A 90 9.413 146.391 -4.275 1.00 28.31 H +ATOM 564 N ILE A 91 6.026 150.802 -2.073 1.00 31.39 N +ATOM 565 CA ILE A 91 5.930 152.254 -2.080 1.00 32.29 C +ATOM 566 C ILE A 91 7.273 152.788 -2.555 1.00 32.25 C +ATOM 567 O ILE A 91 8.107 153.193 -1.749 1.00 33.29 O +ATOM 568 CB ILE A 91 5.636 152.793 -0.665 1.00 32.99 C +ATOM 569 CG1 ILE A 91 4.483 152.002 -0.037 1.00 33.83 C +ATOM 570 CG2 ILE A 91 5.298 154.274 -0.732 1.00 33.23 C +ATOM 571 CD1 ILE A 91 3.230 151.911 -0.904 1.00 33.83 C +ATOM 572 H ILE A 91 6.227 150.333 -1.201 1.00 31.39 H +ATOM 573 HA ILE A 91 5.144 152.569 -2.765 1.00 32.29 H +ATOM 574 HB ILE A 91 6.526 152.664 -0.049 1.00 32.99 H +ATOM 575 HG13 ILE A 91 4.225 152.443 0.925 1.00 33.83 H +ATOM 576 HG12 ILE A 91 4.826 150.997 0.207 1.00 33.83 H +ATOM 577 HG21 ILE A 91 5.092 154.646 0.272 1.00 33.23 H +ATOM 578 HG22 ILE A 91 6.140 154.821 -1.155 1.00 33.23 H +ATOM 579 HG23 ILE A 91 4.419 154.419 -1.360 1.00 33.23 H +ATOM 580 HD11 ILE A 91 2.467 151.334 -0.382 1.00 33.83 H +ATOM 581 HD12 ILE A 91 2.853 152.914 -1.105 1.00 33.83 H +ATOM 582 HD13 ILE A 91 3.474 151.420 -1.846 1.00 33.83 H +ATOM 583 N TYR A 92 7.473 152.784 -3.869 1.00 31.69 N +ATOM 584 CA TYR A 92 8.730 153.230 -4.464 1.00 31.55 C +ATOM 585 C TYR A 92 9.106 154.681 -4.176 1.00 31.49 C +ATOM 586 O TYR A 92 8.242 155.540 -4.027 1.00 31.46 O +ATOM 587 CB TYR A 92 8.688 153.066 -5.989 1.00 31.45 C +ATOM 588 CG TYR A 92 8.202 151.725 -6.493 1.00 30.93 C +ATOM 589 CD1 TYR A 92 6.934 151.594 -7.059 1.00 30.62 C +ATOM 590 CD2 TYR A 92 9.025 150.597 -6.450 1.00 30.68 C +ATOM 591 CE1 TYR A 92 6.497 150.376 -7.579 1.00 30.08 C +ATOM 592 CE2 TYR A 92 8.597 149.370 -6.967 1.00 29.97 C +ATOM 593 CZ TYR A 92 7.334 149.269 -7.533 1.00 29.53 C +ATOM 594 OH TYR A 92 6.910 148.076 -8.071 1.00 29.01 O +ATOM 595 H TYR A 92 6.743 152.465 -4.490 1.00 31.69 H +ATOM 596 HA TYR A 92 9.528 152.594 -4.080 1.00 31.55 H +ATOM 597 HB3 TYR A 92 9.677 153.268 -6.400 1.00 31.45 H +ATOM 598 HB2 TYR A 92 8.073 153.856 -6.420 1.00 31.45 H +ATOM 599 HD1 TYR A 92 6.270 152.445 -7.100 1.00 30.62 H +ATOM 600 HD2 TYR A 92 10.010 150.664 -6.012 1.00 30.68 H +ATOM 601 HE1 TYR A 92 5.512 150.298 -8.014 1.00 30.08 H +ATOM 602 HE2 TYR A 92 9.248 148.509 -6.923 1.00 29.97 H +ATOM 603 HH TYR A 92 7.668 147.582 -8.393 1.00 29.01 H +ATOM 604 N SER A 93 10.406 154.947 -4.115 1.00 31.35 N +ATOM 605 CA SER A 93 10.879 156.307 -3.915 1.00 31.63 C +ATOM 606 C SER A 93 10.570 156.995 -5.241 1.00 31.71 C +ATOM 607 O SER A 93 10.309 156.327 -6.239 1.00 31.26 O +ATOM 608 CB SER A 93 12.387 156.327 -3.666 1.00 31.32 C +ATOM 609 OG SER A 93 13.097 155.934 -4.829 1.00 32.02 O +ATOM 610 H SER A 93 11.079 154.200 -4.209 1.00 31.35 H +ATOM 611 HA SER A 93 10.344 156.787 -3.095 1.00 31.63 H +ATOM 612 HB3 SER A 93 12.629 155.650 -2.847 1.00 31.32 H +ATOM 613 HB2 SER A 93 12.694 157.332 -3.376 1.00 31.32 H +ATOM 614 HG SER A 93 13.154 154.976 -4.862 1.00 32.02 H +ATOM 615 N ASP A 94 10.598 158.322 -5.262 1.00 32.29 N +ATOM 616 CA ASP A 94 10.307 159.053 -6.487 1.00 32.74 C +ATOM 617 C ASP A 94 11.362 158.770 -7.563 1.00 32.16 C +ATOM 618 O ASP A 94 11.036 158.634 -8.744 1.00 31.88 O +ATOM 619 CB ASP A 94 10.221 160.555 -6.182 1.00 34.40 C +ATOM 620 CG ASP A 94 9.764 161.373 -7.376 1.00 36.37 C +ATOM 621 OD1 ASP A 94 8.842 160.931 -8.097 1.00 37.25 O +ATOM 622 OD2 ASP A 94 10.319 162.474 -7.586 1.00 38.39 O1- +ATOM 623 H ASP A 94 10.823 158.835 -4.421 1.00 32.29 H +ATOM 624 HA ASP A 94 9.338 158.724 -6.862 1.00 32.74 H +ATOM 625 HB3 ASP A 94 11.195 160.913 -5.849 1.00 34.40 H +ATOM 626 HB2 ASP A 94 9.537 160.716 -5.349 1.00 34.40 H +ATOM 627 N LYS A 95 12.623 158.661 -7.159 1.00 31.50 N +ATOM 628 CA LYS A 95 13.678 158.380 -8.124 1.00 31.75 C +ATOM 629 C LYS A 95 13.565 156.971 -8.712 1.00 30.67 C +ATOM 630 O LYS A 95 13.807 156.773 -9.901 1.00 29.94 O +ATOM 631 CB LYS A 95 15.060 158.569 -7.488 1.00 32.17 C +ATOM 632 CG LYS A 95 15.390 160.030 -7.217 1.00 34.04 C +ATOM 633 CD LYS A 95 16.875 160.259 -6.999 1.00 34.18 C +ATOM 634 CE LYS A 95 17.365 159.587 -5.740 1.00 34.11 C +ATOM 635 NZ LYS A 95 18.766 159.997 -5.452 1.00 34.59 N1+ +ATOM 636 H LYS A 95 12.852 158.772 -6.181 1.00 31.50 H +ATOM 637 HA LYS A 95 13.584 159.094 -8.942 1.00 31.75 H +ATOM 638 HB3 LYS A 95 15.821 158.141 -8.140 1.00 32.17 H +ATOM 639 HB2 LYS A 95 15.110 158.008 -6.555 1.00 32.17 H +ATOM 640 HG3 LYS A 95 14.838 160.370 -6.341 1.00 34.04 H +ATOM 641 HG2 LYS A 95 15.049 160.639 -8.054 1.00 34.04 H +ATOM 642 HD3 LYS A 95 17.072 161.329 -6.938 1.00 34.18 H +ATOM 643 HD2 LYS A 95 17.431 159.876 -7.854 1.00 34.18 H +ATOM 644 HE3 LYS A 95 17.322 158.505 -5.865 1.00 34.11 H +ATOM 645 HE2 LYS A 95 16.725 159.871 -4.904 1.00 34.11 H +ATOM 646 HZ1 LYS A 95 19.348 159.792 -6.252 1.00 34.59 H +ATOM 647 HZ2 LYS A 95 18.795 160.989 -5.261 1.00 34.59 H +ATOM 648 HZ3 LYS A 95 19.108 159.490 -4.648 1.00 34.59 H +ATOM 649 N PHE A 96 13.195 156.002 -7.881 1.00 30.30 N +ATOM 650 CA PHE A 96 13.049 154.622 -8.340 1.00 29.86 C +ATOM 651 C PHE A 96 11.952 154.550 -9.396 1.00 29.70 C +ATOM 652 O PHE A 96 12.174 154.052 -10.497 1.00 29.52 O +ATOM 653 CB PHE A 96 12.687 153.699 -7.171 1.00 29.61 C +ATOM 654 CG PHE A 96 12.724 152.227 -7.521 1.00 28.94 C +ATOM 655 CD1 PHE A 96 13.816 151.443 -7.169 1.00 28.12 C +ATOM 656 CD2 PHE A 96 11.667 151.633 -8.209 1.00 28.79 C +ATOM 657 CE1 PHE A 96 13.858 150.088 -7.492 1.00 27.96 C +ATOM 658 CE2 PHE A 96 11.701 150.277 -8.539 1.00 28.42 C +ATOM 659 CZ PHE A 96 12.799 149.506 -8.178 1.00 27.90 C +ATOM 660 H PHE A 96 13.008 156.212 -6.911 1.00 30.30 H +ATOM 661 HA PHE A 96 13.990 154.290 -8.779 1.00 29.86 H +ATOM 662 HB3 PHE A 96 11.695 153.957 -6.800 1.00 29.61 H +ATOM 663 HB2 PHE A 96 13.363 153.889 -6.337 1.00 29.61 H +ATOM 664 HD1 PHE A 96 14.647 151.882 -6.636 1.00 28.12 H +ATOM 665 HD2 PHE A 96 10.808 152.222 -8.493 1.00 28.79 H +ATOM 666 HE1 PHE A 96 14.713 149.492 -7.211 1.00 27.96 H +ATOM 667 HE2 PHE A 96 10.875 149.831 -9.073 1.00 28.42 H +ATOM 668 HZ PHE A 96 12.831 148.456 -8.429 1.00 27.90 H +ATOM 669 N ARG A 97 10.770 155.056 -9.059 1.00 30.15 N +ATOM 670 CA ARG A 97 9.653 155.036 -9.994 1.00 30.37 C +ATOM 671 C ARG A 97 9.967 155.797 -11.279 1.00 29.81 C +ATOM 672 O ARG A 97 9.612 155.355 -12.371 1.00 29.76 O +ATOM 673 CB ARG A 97 8.399 155.633 -9.350 1.00 32.16 C +ATOM 674 CG ARG A 97 7.201 155.618 -10.279 1.00 34.73 C +ATOM 675 CD ARG A 97 5.964 156.234 -9.652 1.00 37.80 C +ATOM 676 NE ARG A 97 5.588 155.583 -8.402 1.00 40.05 N +ATOM 677 CZ ARG A 97 5.866 156.067 -7.196 1.00 41.59 C +ATOM 678 NH1 ARG A 97 6.527 157.216 -7.078 1.00 41.90 N +ATOM 679 NH2 ARG A 97 5.477 155.407 -6.109 1.00 42.31 N1+ +ATOM 680 H ARG A 97 10.637 155.462 -8.144 1.00 30.15 H +ATOM 681 HA ARG A 97 9.443 153.998 -10.254 1.00 30.37 H +ATOM 682 HB3 ARG A 97 8.604 156.657 -9.039 1.00 32.16 H +ATOM 683 HB2 ARG A 97 8.160 155.079 -8.442 1.00 32.16 H +ATOM 684 HG3 ARG A 97 6.984 154.591 -10.574 1.00 34.73 H +ATOM 685 HG2 ARG A 97 7.447 156.152 -11.196 1.00 34.73 H +ATOM 686 HD3 ARG A 97 5.134 156.175 -10.356 1.00 37.80 H +ATOM 687 HD2 ARG A 97 6.140 157.294 -9.470 1.00 37.80 H +ATOM 688 HE ARG A 97 5.086 154.711 -8.492 1.00 40.05 H +ATOM 689 HH12 ARG A 97 6.739 157.585 -6.163 1.00 41.90 H +ATOM 690 HH11 ARG A 97 6.817 157.719 -7.905 1.00 41.90 H +ATOM 691 HH22 ARG A 97 5.688 155.775 -5.192 1.00 42.31 H +ATOM 692 HH21 ARG A 97 4.970 154.538 -6.199 1.00 42.31 H +ATOM 693 N ASP A 98 10.630 156.943 -11.146 1.00 29.43 N +ATOM 694 CA ASP A 98 10.977 157.762 -12.305 1.00 28.59 C +ATOM 695 C ASP A 98 11.784 156.973 -13.330 1.00 28.21 C +ATOM 696 O ASP A 98 11.440 156.931 -14.509 1.00 28.50 O +ATOM 697 CB ASP A 98 11.774 158.996 -11.864 1.00 28.19 C +ATOM 698 CG ASP A 98 12.350 159.768 -13.039 1.00 27.77 C +ATOM 699 OD1 ASP A 98 11.568 160.342 -13.827 1.00 27.35 O +ATOM 700 OD2 ASP A 98 13.590 159.790 -13.178 1.00 27.01 O1- +ATOM 701 H ASP A 98 10.905 157.264 -10.229 1.00 29.43 H +ATOM 702 HA ASP A 98 10.054 158.098 -12.778 1.00 28.59 H +ATOM 703 HB3 ASP A 98 12.583 158.688 -11.202 1.00 28.19 H +ATOM 704 HB2 ASP A 98 11.130 159.653 -11.280 1.00 28.19 H +ATOM 705 N VAL A 99 12.867 156.351 -12.880 1.00 27.92 N +ATOM 706 CA VAL A 99 13.707 155.568 -13.773 1.00 26.84 C +ATOM 707 C VAL A 99 12.930 154.439 -14.447 1.00 26.20 C +ATOM 708 O VAL A 99 13.014 154.258 -15.662 1.00 24.92 O +ATOM 709 CB VAL A 99 14.906 154.955 -13.021 1.00 27.17 C +ATOM 710 CG1 VAL A 99 15.573 153.880 -13.883 1.00 27.05 C +ATOM 711 CG2 VAL A 99 15.913 156.046 -12.672 1.00 26.82 C +ATOM 712 H VAL A 99 13.118 156.418 -11.904 1.00 27.92 H +ATOM 713 HA VAL A 99 14.092 156.230 -14.549 1.00 26.84 H +ATOM 714 HB VAL A 99 14.548 154.497 -12.099 1.00 27.17 H +ATOM 715 HG11 VAL A 99 16.418 153.453 -13.343 1.00 27.05 H +ATOM 716 HG12 VAL A 99 14.852 153.094 -14.107 1.00 27.05 H +ATOM 717 HG13 VAL A 99 15.925 154.326 -14.814 1.00 27.05 H +ATOM 718 HG21 VAL A 99 16.757 155.606 -12.142 1.00 26.82 H +ATOM 719 HG22 VAL A 99 16.267 156.521 -13.588 1.00 26.82 H +ATOM 720 HG23 VAL A 99 15.435 156.793 -12.038 1.00 26.82 H +ATOM 721 N TYR A 100 12.166 153.688 -13.663 1.00 25.41 N +ATOM 722 CA TYR A 100 11.420 152.577 -14.228 1.00 26.16 C +ATOM 723 C TYR A 100 10.260 152.957 -15.140 1.00 26.37 C +ATOM 724 O TYR A 100 9.911 152.200 -16.049 1.00 26.08 O +ATOM 725 CB TYR A 100 10.987 151.611 -13.118 1.00 25.91 C +ATOM 726 CG TYR A 100 12.116 150.669 -12.764 1.00 25.51 C +ATOM 727 CD1 TYR A 100 13.066 151.010 -11.796 1.00 25.32 C +ATOM 728 CD2 TYR A 100 12.313 149.493 -13.491 1.00 25.66 C +ATOM 729 CE1 TYR A 100 14.193 150.203 -11.571 1.00 25.19 C +ATOM 730 CE2 TYR A 100 13.435 148.683 -13.275 1.00 25.21 C +ATOM 731 CZ TYR A 100 14.368 149.047 -12.320 1.00 24.76 C +ATOM 732 OH TYR A 100 15.490 148.266 -12.139 1.00 25.17 O +ATOM 733 H TYR A 100 12.104 153.890 -12.675 1.00 25.41 H +ATOM 734 HA TYR A 100 12.125 152.025 -14.850 1.00 26.16 H +ATOM 735 HB3 TYR A 100 10.125 151.034 -13.454 1.00 25.91 H +ATOM 736 HB2 TYR A 100 10.698 152.180 -12.234 1.00 25.91 H +ATOM 737 HD1 TYR A 100 12.939 151.907 -11.207 1.00 25.32 H +ATOM 738 HD2 TYR A 100 11.593 149.193 -14.237 1.00 25.66 H +ATOM 739 HE1 TYR A 100 14.917 150.484 -10.820 1.00 25.19 H +ATOM 740 HE2 TYR A 100 13.568 147.780 -13.852 1.00 25.21 H +ATOM 741 HH TYR A 100 16.225 148.819 -11.865 1.00 25.17 H +ATOM 742 N ASP A 101 9.675 154.132 -14.927 1.00 26.86 N +ATOM 743 CA ASP A 101 8.595 154.574 -15.800 1.00 27.26 C +ATOM 744 C ASP A 101 9.190 154.789 -17.196 1.00 27.32 C +ATOM 745 O ASP A 101 8.536 154.543 -18.212 1.00 27.01 O +ATOM 746 CB ASP A 101 7.987 155.882 -15.290 1.00 27.93 C +ATOM 747 CG ASP A 101 6.945 155.664 -14.204 1.00 29.38 C +ATOM 748 OD1 ASP A 101 6.432 156.673 -13.672 1.00 29.60 O +ATOM 749 OD2 ASP A 101 6.632 154.496 -13.888 1.00 29.16 O1- +ATOM 750 H ASP A 101 9.980 154.716 -14.162 1.00 26.86 H +ATOM 751 HA ASP A 101 7.824 153.805 -15.845 1.00 27.26 H +ATOM 752 HB3 ASP A 101 7.535 156.420 -16.123 1.00 27.93 H +ATOM 753 HB2 ASP A 101 8.780 156.525 -14.908 1.00 27.93 H +ATOM 754 N TYR A 102 10.438 155.248 -17.243 1.00 27.58 N +ATOM 755 CA TYR A 102 11.095 155.473 -18.525 1.00 27.92 C +ATOM 756 C TYR A 102 11.674 154.190 -19.101 1.00 28.19 C +ATOM 757 O TYR A 102 11.674 153.998 -20.323 1.00 27.96 O +ATOM 758 CB TYR A 102 12.165 156.563 -18.401 1.00 27.73 C +ATOM 759 CG TYR A 102 11.550 157.944 -18.429 1.00 28.86 C +ATOM 760 CD1 TYR A 102 10.985 158.506 -17.283 1.00 28.55 C +ATOM 761 CD2 TYR A 102 11.450 158.654 -19.627 1.00 28.60 C +ATOM 762 CE1 TYR A 102 10.328 159.738 -17.330 1.00 29.18 C +ATOM 763 CE2 TYR A 102 10.797 159.881 -19.685 1.00 29.70 C +ATOM 764 CZ TYR A 102 10.238 160.415 -18.537 1.00 29.75 C +ATOM 765 OH TYR A 102 9.578 161.620 -18.604 1.00 31.50 O +ATOM 766 H TYR A 102 10.937 155.442 -16.386 1.00 27.58 H +ATOM 767 HA TYR A 102 10.339 155.834 -19.222 1.00 27.92 H +ATOM 768 HB3 TYR A 102 12.878 156.466 -19.220 1.00 27.73 H +ATOM 769 HB2 TYR A 102 12.713 156.428 -17.468 1.00 27.73 H +ATOM 770 HD1 TYR A 102 11.052 157.986 -16.338 1.00 28.55 H +ATOM 771 HD2 TYR A 102 11.884 158.253 -20.531 1.00 28.60 H +ATOM 772 HE1 TYR A 102 9.896 160.154 -16.432 1.00 29.18 H +ATOM 773 HE2 TYR A 102 10.728 160.412 -20.623 1.00 29.70 H +ATOM 774 HH TYR A 102 9.608 161.952 -19.504 1.00 31.50 H +ATOM 775 N PHE A 103 12.159 153.305 -18.236 1.00 28.13 N +ATOM 776 CA PHE A 103 12.677 152.035 -18.719 1.00 28.52 C +ATOM 777 C PHE A 103 11.515 151.309 -19.396 1.00 28.43 C +ATOM 778 O PHE A 103 11.681 150.713 -20.454 1.00 28.19 O +ATOM 779 CB PHE A 103 13.204 151.164 -17.576 1.00 28.82 C +ATOM 780 CG PHE A 103 13.569 149.768 -18.009 1.00 28.69 C +ATOM 781 CD1 PHE A 103 14.699 149.540 -18.786 1.00 28.87 C +ATOM 782 CD2 PHE A 103 12.752 148.688 -17.683 1.00 28.75 C +ATOM 783 CE1 PHE A 103 15.013 148.254 -19.237 1.00 29.65 C +ATOM 784 CE2 PHE A 103 13.053 147.400 -18.127 1.00 28.85 C +ATOM 785 CZ PHE A 103 14.186 147.182 -18.905 1.00 29.45 C +ATOM 786 H PHE A 103 12.166 153.516 -17.248 1.00 28.13 H +ATOM 787 HA PHE A 103 13.472 152.213 -19.444 1.00 28.52 H +ATOM 788 HB3 PHE A 103 12.456 151.114 -16.785 1.00 28.82 H +ATOM 789 HB2 PHE A 103 14.074 151.643 -17.128 1.00 28.82 H +ATOM 790 HD1 PHE A 103 15.348 150.362 -19.049 1.00 28.87 H +ATOM 791 HD2 PHE A 103 11.870 148.841 -17.078 1.00 28.75 H +ATOM 792 HE1 PHE A 103 15.894 148.093 -19.839 1.00 29.65 H +ATOM 793 HE2 PHE A 103 12.407 146.574 -17.866 1.00 28.85 H +ATOM 794 HZ PHE A 103 14.425 146.188 -19.253 1.00 29.45 H +ATOM 795 N ARG A 104 10.337 151.361 -18.781 1.00 28.70 N +ATOM 796 CA ARG A 104 9.173 150.701 -19.355 1.00 29.51 C +ATOM 797 C ARG A 104 8.841 151.289 -20.726 1.00 29.78 C +ATOM 798 O ARG A 104 8.446 150.565 -21.641 1.00 30.18 O +ATOM 799 CB ARG A 104 7.962 150.813 -18.416 1.00 29.44 C +ATOM 800 CG ARG A 104 7.967 149.806 -17.255 1.00 29.43 C +ATOM 801 CD ARG A 104 6.696 149.899 -16.401 1.00 29.16 C +ATOM 802 NE ARG A 104 6.756 150.962 -15.395 1.00 29.26 N +ATOM 803 CZ ARG A 104 7.451 150.886 -14.262 1.00 30.02 C +ATOM 804 NH1 ARG A 104 8.151 149.792 -13.977 1.00 29.97 N +ATOM 805 NH2 ARG A 104 7.451 151.905 -13.408 1.00 29.80 N1+ +ATOM 806 H ARG A 104 10.245 151.862 -17.908 1.00 28.70 H +ATOM 807 HA ARG A 104 9.408 149.644 -19.484 1.00 29.51 H +ATOM 808 HB3 ARG A 104 7.045 150.695 -18.993 1.00 29.44 H +ATOM 809 HB2 ARG A 104 7.909 151.826 -18.015 1.00 29.44 H +ATOM 810 HG3 ARG A 104 8.840 149.981 -16.626 1.00 29.43 H +ATOM 811 HG2 ARG A 104 8.064 148.795 -17.653 1.00 29.43 H +ATOM 812 HD3 ARG A 104 6.521 148.943 -15.908 1.00 29.16 H +ATOM 813 HD2 ARG A 104 5.835 150.062 -17.050 1.00 29.16 H +ATOM 814 HE ARG A 104 6.224 151.793 -15.606 1.00 29.26 H +ATOM 815 HH12 ARG A 104 8.677 149.739 -13.116 1.00 29.97 H +ATOM 816 HH11 ARG A 104 8.157 149.014 -14.621 1.00 29.97 H +ATOM 817 HH22 ARG A 104 7.979 151.845 -12.549 1.00 29.80 H +ATOM 818 HH21 ARG A 104 6.923 152.740 -13.619 1.00 29.80 H +ATOM 819 N ALA A 105 9.012 152.598 -20.869 1.00 30.04 N +ATOM 820 CA ALA A 105 8.730 153.267 -22.138 1.00 30.87 C +ATOM 821 C ALA A 105 9.680 152.792 -23.232 1.00 31.28 C +ATOM 822 O ALA A 105 9.254 152.453 -24.333 1.00 30.68 O +ATOM 823 CB ALA A 105 8.847 154.779 -21.973 1.00 30.30 C +ATOM 824 H ALA A 105 9.343 153.152 -20.092 1.00 30.04 H +ATOM 825 HA ALA A 105 7.709 153.028 -22.436 1.00 30.87 H +ATOM 826 HB1 ALA A 105 8.635 155.266 -22.925 1.00 30.30 H +ATOM 827 HB2 ALA A 105 8.133 155.120 -21.224 1.00 30.30 H +ATOM 828 HB3 ALA A 105 9.857 155.033 -21.653 1.00 30.30 H +ATOM 829 N VAL A 106 10.972 152.774 -22.926 1.00 32.34 N +ATOM 830 CA VAL A 106 11.970 152.344 -23.896 1.00 33.77 C +ATOM 831 C VAL A 106 11.808 150.869 -24.262 1.00 34.37 C +ATOM 832 O VAL A 106 11.929 150.494 -25.429 1.00 33.94 O +ATOM 833 CB VAL A 106 13.396 152.575 -23.362 1.00 34.01 C +ATOM 834 CG1 VAL A 106 14.405 152.002 -24.332 1.00 35.91 C +ATOM 835 CG2 VAL A 106 13.644 154.066 -23.178 1.00 34.57 C +ATOM 836 H VAL A 106 11.277 153.062 -22.007 1.00 32.34 H +ATOM 837 HA VAL A 106 11.844 152.937 -24.801 1.00 33.77 H +ATOM 838 HB VAL A 106 13.502 152.074 -22.399 1.00 34.01 H +ATOM 839 HG11 VAL A 106 15.412 152.167 -23.950 1.00 35.91 H +ATOM 840 HG12 VAL A 106 14.232 150.932 -24.447 1.00 35.91 H +ATOM 841 HG13 VAL A 106 14.299 152.492 -25.300 1.00 35.91 H +ATOM 842 HG21 VAL A 106 14.654 154.223 -22.801 1.00 34.57 H +ATOM 843 HG22 VAL A 106 13.532 154.574 -24.136 1.00 34.57 H +ATOM 844 HG23 VAL A 106 12.924 154.470 -22.467 1.00 34.57 H +ATOM 845 N LEU A 107 11.532 150.038 -23.262 1.00 35.09 N +ATOM 846 CA LEU A 107 11.358 148.606 -23.486 1.00 36.23 C +ATOM 847 C LEU A 107 10.167 148.366 -24.404 1.00 37.07 C +ATOM 848 O LEU A 107 10.270 147.656 -25.401 1.00 36.92 O +ATOM 849 CB LEU A 107 11.129 147.883 -22.155 1.00 35.66 C +ATOM 850 CG LEU A 107 11.128 146.354 -22.216 1.00 35.57 C +ATOM 851 CD1 LEU A 107 12.510 145.865 -22.630 1.00 35.57 C +ATOM 852 CD2 LEU A 107 10.749 145.782 -20.860 1.00 34.43 C +ATOM 853 H LEU A 107 11.438 150.393 -22.322 1.00 35.09 H +ATOM 854 HA LEU A 107 12.256 148.208 -23.957 1.00 36.23 H +ATOM 855 HB3 LEU A 107 10.192 148.226 -21.716 1.00 35.66 H +ATOM 856 HB2 LEU A 107 11.875 148.214 -21.433 1.00 35.66 H +ATOM 857 HG LEU A 107 10.398 146.027 -22.956 1.00 35.57 H +ATOM 858 HD11 LEU A 107 12.513 144.776 -22.674 1.00 35.57 H +ATOM 859 HD12 LEU A 107 12.759 146.269 -23.612 1.00 35.57 H +ATOM 860 HD13 LEU A 107 13.248 146.201 -21.902 1.00 35.57 H +ATOM 861 HD21 LEU A 107 10.750 144.693 -20.911 1.00 34.43 H +ATOM 862 HD22 LEU A 107 11.470 146.111 -20.112 1.00 34.43 H +ATOM 863 HD23 LEU A 107 9.754 146.131 -20.583 1.00 34.43 H +ATOM 864 N GLN A 108 9.038 148.967 -24.052 1.00 38.46 N +ATOM 865 CA GLN A 108 7.809 148.834 -24.823 1.00 40.17 C +ATOM 866 C GLN A 108 8.009 149.356 -26.241 1.00 40.68 C +ATOM 867 O GLN A 108 7.380 148.884 -27.186 1.00 40.91 O +ATOM 868 CB GLN A 108 6.690 149.612 -24.126 1.00 41.05 C +ATOM 869 CG GLN A 108 5.434 149.817 -24.956 1.00 43.13 C +ATOM 870 CD GLN A 108 4.350 150.557 -24.190 1.00 44.16 C +ATOM 871 OE1 GLN A 108 3.764 150.022 -23.246 1.00 44.47 O +ATOM 872 NE2 GLN A 108 4.085 151.798 -24.586 1.00 44.70 N +ATOM 873 H GLN A 108 9.009 149.542 -23.222 1.00 38.46 H +ATOM 874 HA GLN A 108 7.532 147.781 -24.869 1.00 40.17 H +ATOM 875 HB3 GLN A 108 7.071 150.581 -23.803 1.00 41.05 H +ATOM 876 HB2 GLN A 108 6.428 149.110 -23.194 1.00 41.05 H +ATOM 877 HG3 GLN A 108 5.052 148.849 -25.281 1.00 43.13 H +ATOM 878 HG2 GLN A 108 5.684 150.374 -25.859 1.00 43.13 H +ATOM 879 HE22 GLN A 108 3.374 152.338 -24.114 1.00 44.70 H +ATOM 880 HE21 GLN A 108 4.595 152.201 -25.359 1.00 44.70 H +ATOM 881 N ARG A 109 8.906 150.327 -26.363 1.00 41.17 N +ATOM 882 CA ARG A 109 9.235 150.977 -27.626 1.00 41.61 C +ATOM 883 C ARG A 109 10.401 150.264 -28.314 1.00 40.92 C +ATOM 884 O ARG A 109 10.733 150.563 -29.460 1.00 40.52 O +ATOM 885 CB ARG A 109 9.629 152.422 -27.327 1.00 43.36 C +ATOM 886 CG ARG A 109 9.144 153.464 -28.297 1.00 46.04 C +ATOM 887 CD ARG A 109 8.908 154.763 -27.531 1.00 48.53 C +ATOM 888 NE ARG A 109 8.825 155.934 -28.400 1.00 50.74 N +ATOM 889 CZ ARG A 109 9.836 156.387 -29.136 1.00 52.22 C +ATOM 890 NH1 ARG A 109 11.013 155.766 -29.111 1.00 52.47 N +ATOM 891 NH2 ARG A 109 9.676 157.469 -29.890 1.00 52.89 N1+ +ATOM 892 H ARG A 109 9.407 150.656 -25.550 1.00 41.17 H +ATOM 893 HA ARG A 109 8.363 150.965 -28.281 1.00 41.61 H +ATOM 894 HB3 ARG A 109 10.714 152.488 -27.241 1.00 43.36 H +ATOM 895 HB2 ARG A 109 9.296 152.684 -26.322 1.00 43.36 H +ATOM 896 HG3 ARG A 109 8.208 153.133 -28.747 1.00 46.04 H +ATOM 897 HG2 ARG A 109 9.902 153.626 -29.063 1.00 46.04 H +ATOM 898 HD3 ARG A 109 9.709 154.907 -26.806 1.00 48.53 H +ATOM 899 HD2 ARG A 109 7.990 154.679 -26.949 1.00 48.53 H +ATOM 900 HE ARG A 109 7.933 156.406 -28.423 1.00 50.74 H +ATOM 901 HH12 ARG A 109 11.779 156.113 -29.671 1.00 52.47 H +ATOM 902 HH11 ARG A 109 11.140 154.948 -28.533 1.00 52.47 H +ATOM 903 HH22 ARG A 109 10.444 157.813 -30.448 1.00 52.89 H +ATOM 904 HH21 ARG A 109 8.787 157.947 -29.904 1.00 52.89 H +ATOM 905 N ASP A 110 11.017 149.322 -27.601 1.00 39.86 N +ATOM 906 CA ASP A 110 12.163 148.576 -28.109 1.00 39.21 C +ATOM 907 C ASP A 110 13.164 149.539 -28.744 1.00 39.04 C +ATOM 908 O ASP A 110 13.699 149.287 -29.826 1.00 39.05 O +ATOM 909 CB ASP A 110 11.714 147.522 -29.127 1.00 39.02 C +ATOM 910 CG ASP A 110 12.848 146.602 -29.550 1.00 39.30 C +ATOM 911 OD1 ASP A 110 13.648 146.206 -28.681 1.00 39.82 O +ATOM 912 OD2 ASP A 110 12.939 146.266 -30.748 1.00 40.21 O1- +ATOM 913 H ASP A 110 10.694 149.101 -26.670 1.00 39.86 H +ATOM 914 HA ASP A 110 12.648 148.070 -27.274 1.00 39.21 H +ATOM 915 HB3 ASP A 110 11.303 148.019 -30.006 1.00 39.02 H +ATOM 916 HB2 ASP A 110 10.906 146.928 -28.701 1.00 39.02 H +ATOM 917 N GLU A 111 13.411 150.647 -28.053 1.00 38.13 N +ATOM 918 CA GLU A 111 14.334 151.666 -28.531 1.00 37.75 C +ATOM 919 C GLU A 111 15.788 151.275 -28.274 1.00 37.57 C +ATOM 920 O GLU A 111 16.231 151.241 -27.127 1.00 37.08 O +ATOM 921 CB GLU A 111 14.036 152.995 -27.836 1.00 37.25 C +ATOM 922 CG GLU A 111 14.812 154.175 -28.380 1.00 36.46 C +ATOM 923 CD GLU A 111 14.599 155.426 -27.557 1.00 36.51 C +ATOM 924 OE1 GLU A 111 15.448 155.722 -26.690 1.00 36.08 O +ATOM 925 OE2 GLU A 111 13.571 156.108 -27.767 1.00 36.69 O1- +ATOM 926 H GLU A 111 12.952 150.802 -27.166 1.00 38.13 H +ATOM 927 HA GLU A 111 14.190 151.793 -29.604 1.00 37.75 H +ATOM 928 HB3 GLU A 111 14.231 152.896 -26.769 1.00 37.25 H +ATOM 929 HB2 GLU A 111 12.968 153.205 -27.901 1.00 37.25 H +ATOM 930 HG3 GLU A 111 14.510 154.363 -29.411 1.00 36.46 H +ATOM 931 HG2 GLU A 111 15.874 153.931 -28.402 1.00 36.46 H +ATOM 932 N ARG A 112 16.522 150.976 -29.340 1.00 37.49 N +ATOM 933 CA ARG A 112 17.930 150.601 -29.219 1.00 37.82 C +ATOM 934 C ARG A 112 18.748 151.884 -29.329 1.00 37.58 C +ATOM 935 O ARG A 112 19.271 152.198 -30.398 1.00 38.02 O +ATOM 936 CB ARG A 112 18.345 149.651 -30.351 1.00 38.31 C +ATOM 937 CG ARG A 112 17.374 148.520 -30.656 1.00 39.26 C +ATOM 938 CD ARG A 112 17.210 147.556 -29.499 1.00 40.06 C +ATOM 939 NE ARG A 112 16.337 146.436 -29.852 1.00 41.20 N +ATOM 940 CZ ARG A 112 16.683 145.434 -30.656 1.00 41.51 C +ATOM 941 NH1 ARG A 112 17.894 145.399 -31.198 1.00 42.06 N +ATOM 942 NH2 ARG A 112 15.816 144.466 -30.923 1.00 41.69 N1+ +ATOM 943 H ARG A 112 16.109 151.004 -30.262 1.00 37.49 H +ATOM 944 HA ARG A 112 18.107 150.128 -28.253 1.00 37.82 H +ATOM 945 HB3 ARG A 112 19.326 149.232 -30.127 1.00 38.31 H +ATOM 946 HB2 ARG A 112 18.522 150.228 -31.259 1.00 38.31 H +ATOM 947 HG3 ARG A 112 17.717 147.975 -31.535 1.00 39.26 H +ATOM 948 HG2 ARG A 112 16.403 148.939 -30.919 1.00 39.26 H +ATOM 949 HD3 ARG A 112 16.793 148.086 -28.642 1.00 40.06 H +ATOM 950 HD2 ARG A 112 18.187 147.175 -29.203 1.00 40.06 H +ATOM 951 HE ARG A 112 15.416 146.457 -29.439 1.00 41.20 H +ATOM 952 HH12 ARG A 112 18.152 144.636 -31.807 1.00 42.06 H +ATOM 953 HH11 ARG A 112 18.557 146.134 -31.000 1.00 42.06 H +ATOM 954 HH22 ARG A 112 16.080 143.706 -31.533 1.00 41.69 H +ATOM 955 HH21 ARG A 112 14.892 144.489 -30.515 1.00 41.69 H +ATOM 956 N SER A 113 18.866 152.622 -28.232 1.00 36.59 N +ATOM 957 CA SER A 113 19.603 153.876 -28.260 1.00 35.72 C +ATOM 958 C SER A 113 20.625 154.025 -27.149 1.00 35.21 C +ATOM 959 O SER A 113 20.599 153.312 -26.149 1.00 35.06 O +ATOM 960 CB SER A 113 18.631 155.049 -28.165 1.00 35.81 C +ATOM 961 OG SER A 113 17.987 155.042 -26.899 1.00 36.00 O +ATOM 962 H SER A 113 18.442 152.314 -27.368 1.00 36.59 H +ATOM 963 HA SER A 113 20.125 153.942 -29.215 1.00 35.72 H +ATOM 964 HB3 SER A 113 17.883 154.965 -28.954 1.00 35.81 H +ATOM 965 HB2 SER A 113 19.177 155.984 -28.290 1.00 35.81 H +ATOM 966 HG SER A 113 17.072 155.314 -27.004 1.00 36.00 H +ATOM 967 N GLU A 114 21.517 154.988 -27.334 1.00 34.51 N +ATOM 968 CA GLU A 114 22.541 155.282 -26.355 1.00 33.90 C +ATOM 969 C GLU A 114 21.886 155.807 -25.079 1.00 33.23 C +ATOM 970 O GLU A 114 22.347 155.506 -23.975 1.00 33.19 O +ATOM 971 CB GLU A 114 23.503 156.324 -26.918 1.00 35.08 C +ATOM 972 CG GLU A 114 24.599 156.759 -25.963 1.00 36.56 C +ATOM 973 CD GLU A 114 25.517 155.624 -25.573 1.00 37.40 C +ATOM 974 OE1 GLU A 114 25.818 154.777 -26.440 1.00 38.83 O +ATOM 975 OE2 GLU A 114 25.950 155.590 -24.404 1.00 38.27 O1- +ATOM 976 H GLU A 114 21.495 155.541 -28.179 1.00 34.51 H +ATOM 977 HA GLU A 114 23.093 154.370 -26.126 1.00 33.90 H +ATOM 978 HB3 GLU A 114 22.938 157.198 -27.241 1.00 35.08 H +ATOM 979 HB2 GLU A 114 23.953 155.942 -27.834 1.00 35.08 H +ATOM 980 HG3 GLU A 114 24.150 157.186 -25.066 1.00 36.56 H +ATOM 981 HG2 GLU A 114 25.184 157.556 -26.422 1.00 36.56 H +ATOM 982 N ARG A 115 20.814 156.589 -25.220 1.00 31.83 N +ATOM 983 CA ARG A 115 20.144 157.125 -24.038 1.00 31.20 C +ATOM 984 C ARG A 115 19.488 155.987 -23.272 1.00 30.47 C +ATOM 985 O ARG A 115 19.466 155.984 -22.042 1.00 29.66 O +ATOM 986 CB ARG A 115 19.099 158.194 -24.410 1.00 31.02 C +ATOM 987 CG ARG A 115 17.827 157.700 -25.091 1.00 32.08 C +ATOM 988 CD ARG A 115 16.810 158.849 -25.232 1.00 32.82 C +ATOM 989 NE ARG A 115 15.613 158.477 -25.991 1.00 32.67 N +ATOM 990 CZ ARG A 115 14.616 159.314 -26.280 1.00 32.77 C +ATOM 991 NH1 ARG A 115 14.666 160.576 -25.873 1.00 32.29 N +ATOM 992 NH2 ARG A 115 13.570 158.895 -26.982 1.00 31.80 N1+ +ATOM 993 H ARG A 115 20.467 156.809 -26.143 1.00 31.83 H +ATOM 994 HA ARG A 115 20.894 157.585 -23.396 1.00 31.20 H +ATOM 995 HB3 ARG A 115 19.569 158.953 -25.036 1.00 31.02 H +ATOM 996 HB2 ARG A 115 18.832 158.760 -23.518 1.00 31.02 H +ATOM 997 HG3 ARG A 115 17.387 156.896 -24.500 1.00 32.08 H +ATOM 998 HG2 ARG A 115 18.072 157.309 -26.078 1.00 32.08 H +ATOM 999 HD3 ARG A 115 17.291 159.701 -25.711 1.00 32.82 H +ATOM 1000 HD2 ARG A 115 16.517 159.196 -24.241 1.00 32.82 H +ATOM 1001 HE ARG A 115 15.572 157.516 -26.300 1.00 32.67 H +ATOM 1002 HH12 ARG A 115 13.909 161.208 -26.093 1.00 32.29 H +ATOM 1003 HH11 ARG A 115 15.461 160.905 -25.343 1.00 32.29 H +ATOM 1004 HH22 ARG A 115 12.818 159.534 -27.198 1.00 31.80 H +ATOM 1005 HH21 ARG A 115 13.526 157.938 -27.301 1.00 31.80 H +ATOM 1006 N ALA A 116 18.955 155.017 -24.004 1.00 29.93 N +ATOM 1007 CA ALA A 116 18.327 153.869 -23.369 1.00 30.20 C +ATOM 1008 C ALA A 116 19.422 153.062 -22.666 1.00 29.91 C +ATOM 1009 O ALA A 116 19.225 152.564 -21.557 1.00 29.84 O +ATOM 1010 CB ALA A 116 17.618 153.010 -24.410 1.00 29.82 C +ATOM 1011 H ALA A 116 18.983 155.072 -25.012 1.00 29.93 H +ATOM 1012 HA ALA A 116 17.603 154.214 -22.632 1.00 30.20 H +ATOM 1013 HB1 ALA A 116 17.153 152.155 -23.921 1.00 29.82 H +ATOM 1014 HB2 ALA A 116 16.852 153.603 -24.910 1.00 29.82 H +ATOM 1015 HB3 ALA A 116 18.342 152.659 -25.146 1.00 29.82 H +ATOM 1016 N PHE A 117 20.578 152.949 -23.315 1.00 29.86 N +ATOM 1017 CA PHE A 117 21.706 152.211 -22.751 1.00 29.93 C +ATOM 1018 C PHE A 117 22.126 152.803 -21.405 1.00 30.24 C +ATOM 1019 O PHE A 117 22.312 152.070 -20.436 1.00 30.17 O +ATOM 1020 CB PHE A 117 22.896 152.223 -23.717 1.00 29.07 C +ATOM 1021 CG PHE A 117 24.092 151.462 -23.216 1.00 29.22 C +ATOM 1022 CD1 PHE A 117 24.024 150.087 -23.008 1.00 29.42 C +ATOM 1023 CD2 PHE A 117 25.285 152.120 -22.933 1.00 29.12 C +ATOM 1024 CE1 PHE A 117 25.124 149.381 -22.529 1.00 28.90 C +ATOM 1025 CE2 PHE A 117 26.391 151.420 -22.453 1.00 28.80 C +ATOM 1026 CZ PHE A 117 26.309 150.049 -22.250 1.00 28.76 C +ATOM 1027 H PHE A 117 20.692 153.378 -24.222 1.00 29.86 H +ATOM 1028 HA PHE A 117 21.399 151.177 -22.594 1.00 29.93 H +ATOM 1029 HB3 PHE A 117 23.184 153.254 -23.923 1.00 29.07 H +ATOM 1030 HB2 PHE A 117 22.585 151.815 -24.679 1.00 29.07 H +ATOM 1031 HD1 PHE A 117 23.109 149.553 -23.220 1.00 29.42 H +ATOM 1032 HD2 PHE A 117 25.363 153.186 -23.086 1.00 29.12 H +ATOM 1033 HE1 PHE A 117 25.055 148.315 -22.373 1.00 28.90 H +ATOM 1034 HE2 PHE A 117 27.310 151.945 -22.238 1.00 28.80 H +ATOM 1035 HZ PHE A 117 27.162 149.501 -21.878 1.00 28.76 H +ATOM 1036 N LYS A 118 22.278 154.126 -21.346 1.00 30.38 N +ATOM 1037 CA LYS A 118 22.664 154.779 -20.099 1.00 30.55 C +ATOM 1038 C LYS A 118 21.574 154.617 -19.048 1.00 29.75 C +ATOM 1039 O LYS A 118 21.864 154.480 -17.862 1.00 29.25 O +ATOM 1040 CB LYS A 118 22.927 156.271 -20.316 1.00 31.89 C +ATOM 1041 CG LYS A 118 24.151 156.585 -21.153 1.00 34.04 C +ATOM 1042 CD LYS A 118 24.612 158.020 -20.908 1.00 36.29 C +ATOM 1043 CE LYS A 118 25.759 158.411 -21.829 1.00 37.81 C +ATOM 1044 NZ LYS A 118 25.309 158.573 -23.244 1.00 39.58 N1+ +ATOM 1045 H LYS A 118 22.126 154.688 -22.171 1.00 30.38 H +ATOM 1046 HA LYS A 118 23.578 154.313 -19.729 1.00 30.55 H +ATOM 1047 HB3 LYS A 118 23.015 156.766 -19.348 1.00 31.89 H +ATOM 1048 HB2 LYS A 118 22.050 156.729 -20.772 1.00 31.89 H +ATOM 1049 HG3 LYS A 118 23.912 156.455 -22.208 1.00 34.04 H +ATOM 1050 HG2 LYS A 118 24.955 155.896 -20.893 1.00 34.04 H +ATOM 1051 HD3 LYS A 118 24.927 158.128 -19.870 1.00 36.29 H +ATOM 1052 HD2 LYS A 118 23.775 158.701 -21.063 1.00 36.29 H +ATOM 1053 HE3 LYS A 118 26.538 157.650 -21.781 1.00 37.81 H +ATOM 1054 HE2 LYS A 118 26.202 159.344 -21.480 1.00 37.81 H +ATOM 1055 HZ1 LYS A 118 25.010 159.525 -23.396 1.00 39.58 H +ATOM 1056 HZ2 LYS A 118 26.073 158.357 -23.867 1.00 39.58 H +ATOM 1057 HZ3 LYS A 118 24.539 157.946 -23.426 1.00 39.58 H +ATOM 1058 N LEU A 119 20.319 154.639 -19.486 1.00 29.08 N +ATOM 1059 CA LEU A 119 19.201 154.489 -18.567 1.00 28.88 C +ATOM 1060 C LEU A 119 19.257 153.153 -17.831 1.00 28.45 C +ATOM 1061 O LEU A 119 18.930 153.084 -16.647 1.00 28.08 O +ATOM 1062 CB LEU A 119 17.870 154.602 -19.314 1.00 29.31 C +ATOM 1063 CG LEU A 119 16.596 154.310 -18.509 1.00 29.80 C +ATOM 1064 CD1 LEU A 119 16.478 155.259 -17.330 1.00 30.57 C +ATOM 1065 CD2 LEU A 119 15.389 154.460 -19.418 1.00 31.52 C +ATOM 1066 H LEU A 119 20.130 154.762 -20.470 1.00 29.08 H +ATOM 1067 HA LEU A 119 19.251 155.291 -17.830 1.00 28.88 H +ATOM 1068 HB3 LEU A 119 17.895 153.955 -20.191 1.00 29.31 H +ATOM 1069 HB2 LEU A 119 17.793 155.592 -19.762 1.00 29.31 H +ATOM 1070 HG LEU A 119 16.636 153.286 -18.138 1.00 29.80 H +ATOM 1071 HD11 LEU A 119 15.568 155.035 -16.772 1.00 30.57 H +ATOM 1072 HD12 LEU A 119 17.342 155.137 -16.677 1.00 30.57 H +ATOM 1073 HD13 LEU A 119 16.438 156.286 -17.691 1.00 30.57 H +ATOM 1074 HD21 LEU A 119 14.480 154.255 -18.852 1.00 31.52 H +ATOM 1075 HD22 LEU A 119 15.352 155.478 -19.808 1.00 31.52 H +ATOM 1076 HD23 LEU A 119 15.468 153.757 -20.246 1.00 31.52 H +ATOM 1077 N THR A 120 19.677 152.095 -18.524 1.00 27.91 N +ATOM 1078 CA THR A 120 19.745 150.778 -17.891 1.00 27.58 C +ATOM 1079 C THR A 120 20.724 150.752 -16.727 1.00 27.72 C +ATOM 1080 O THR A 120 20.536 149.993 -15.778 1.00 27.79 O +ATOM 1081 CB THR A 120 20.127 149.652 -18.897 1.00 27.14 C +ATOM 1082 OG1 THR A 120 21.470 149.834 -19.364 1.00 25.89 O +ATOM 1083 CG2 THR A 120 19.166 149.653 -20.072 1.00 26.76 C +ATOM 1084 H THR A 120 19.950 152.201 -19.491 1.00 27.91 H +ATOM 1085 HA THR A 120 18.755 150.548 -17.497 1.00 27.58 H +ATOM 1086 HB THR A 120 20.059 148.690 -18.389 1.00 27.14 H +ATOM 1087 HG1 THR A 120 21.544 150.684 -19.804 1.00 25.89 H +ATOM 1088 HG21 THR A 120 19.443 148.862 -20.769 1.00 26.76 H +ATOM 1089 HG22 THR A 120 18.151 149.481 -19.712 1.00 26.76 H +ATOM 1090 HG23 THR A 120 19.213 150.616 -20.580 1.00 26.76 H +ATOM 1091 N ARG A 121 21.763 151.582 -16.792 1.00 27.86 N +ATOM 1092 CA ARG A 121 22.745 151.639 -15.713 1.00 28.51 C +ATOM 1093 C ARG A 121 22.100 152.161 -14.431 1.00 28.05 C +ATOM 1094 O ARG A 121 22.429 151.712 -13.334 1.00 27.84 O +ATOM 1095 CB ARG A 121 23.921 152.547 -16.086 1.00 30.72 C +ATOM 1096 CG ARG A 121 24.846 152.833 -14.908 1.00 33.55 C +ATOM 1097 CD ARG A 121 25.863 153.910 -15.233 1.00 35.74 C +ATOM 1098 NE ARG A 121 26.981 153.391 -16.012 1.00 38.67 N +ATOM 1099 CZ ARG A 121 28.194 153.145 -15.517 1.00 39.41 C +ATOM 1100 NH1 ARG A 121 28.455 153.373 -14.234 1.00 39.81 N +ATOM 1101 NH2 ARG A 121 29.149 152.676 -16.312 1.00 39.18 N1+ +ATOM 1102 H ARG A 121 21.880 152.183 -17.595 1.00 27.86 H +ATOM 1103 HA ARG A 121 23.123 150.633 -15.530 1.00 28.51 H +ATOM 1104 HB3 ARG A 121 23.540 153.487 -16.484 1.00 30.72 H +ATOM 1105 HB2 ARG A 121 24.493 152.086 -16.892 1.00 30.72 H +ATOM 1106 HG3 ARG A 121 25.365 151.918 -14.624 1.00 33.55 H +ATOM 1107 HG2 ARG A 121 24.253 153.143 -14.048 1.00 33.55 H +ATOM 1108 HD3 ARG A 121 26.238 154.346 -14.307 1.00 35.74 H +ATOM 1109 HD2 ARG A 121 25.377 154.712 -15.788 1.00 35.74 H +ATOM 1110 HE ARG A 121 26.789 153.217 -16.988 1.00 38.67 H +ATOM 1111 HH12 ARG A 121 29.376 153.185 -13.865 1.00 39.81 H +ATOM 1112 HH11 ARG A 121 27.732 153.733 -13.627 1.00 39.81 H +ATOM 1113 HH22 ARG A 121 30.069 152.489 -15.940 1.00 39.18 H +ATOM 1114 HH21 ARG A 121 28.955 152.505 -17.288 1.00 39.18 H +ATOM 1115 N ASP A 122 21.192 153.123 -14.570 1.00 27.38 N +ATOM 1116 CA ASP A 122 20.512 153.677 -13.404 1.00 26.83 C +ATOM 1117 C ASP A 122 19.492 152.681 -12.876 1.00 25.91 C +ATOM 1118 O ASP A 122 19.346 152.512 -11.668 1.00 25.96 O +ATOM 1119 CB ASP A 122 19.812 155.000 -13.745 1.00 26.67 C +ATOM 1120 CG ASP A 122 20.792 156.135 -13.987 1.00 26.69 C +ATOM 1121 OD1 ASP A 122 21.907 156.092 -13.425 1.00 27.71 O +ATOM 1122 OD2 ASP A 122 20.442 157.078 -14.722 1.00 26.52 O1- +ATOM 1123 H ASP A 122 20.968 153.477 -15.489 1.00 27.38 H +ATOM 1124 HA ASP A 122 21.252 153.864 -12.625 1.00 26.83 H +ATOM 1125 HB3 ASP A 122 19.136 155.272 -12.935 1.00 26.67 H +ATOM 1126 HB2 ASP A 122 19.190 154.863 -14.630 1.00 26.67 H +ATOM 1127 N ALA A 123 18.783 152.026 -13.787 1.00 25.32 N +ATOM 1128 CA ALA A 123 17.784 151.038 -13.402 1.00 25.43 C +ATOM 1129 C ALA A 123 18.468 149.919 -12.617 1.00 25.31 C +ATOM 1130 O ALA A 123 17.941 149.438 -11.614 1.00 25.36 O +ATOM 1131 CB ALA A 123 17.100 150.473 -14.641 1.00 24.45 C +ATOM 1132 H ALA A 123 18.931 152.209 -14.769 1.00 25.32 H +ATOM 1133 HA ALA A 123 17.037 151.514 -12.768 1.00 25.43 H +ATOM 1134 HB1 ALA A 123 16.356 149.736 -14.341 1.00 24.45 H +ATOM 1135 HB2 ALA A 123 16.612 151.281 -15.186 1.00 24.45 H +ATOM 1136 HB3 ALA A 123 17.843 149.999 -15.282 1.00 24.45 H +ATOM 1137 N ILE A 124 19.649 149.520 -13.083 1.00 25.26 N +ATOM 1138 CA ILE A 124 20.427 148.472 -12.433 1.00 25.13 C +ATOM 1139 C ILE A 124 20.887 148.903 -11.039 1.00 26.40 C +ATOM 1140 O ILE A 124 20.864 148.107 -10.101 1.00 26.10 O +ATOM 1141 CB ILE A 124 21.656 148.094 -13.293 1.00 24.71 C +ATOM 1142 CG1 ILE A 124 21.193 147.320 -14.533 1.00 24.39 C +ATOM 1143 CG2 ILE A 124 22.639 147.263 -12.486 1.00 24.01 C +ATOM 1144 CD1 ILE A 124 22.275 147.079 -15.552 1.00 23.99 C +ATOM 1145 H ILE A 124 20.035 149.946 -13.913 1.00 25.26 H +ATOM 1146 HA ILE A 124 19.796 147.590 -12.329 1.00 25.13 H +ATOM 1147 HB ILE A 124 22.153 149.008 -13.617 1.00 24.71 H +ATOM 1148 HG13 ILE A 124 20.366 147.853 -15.002 1.00 24.39 H +ATOM 1149 HG12 ILE A 124 20.768 146.365 -14.224 1.00 24.39 H +ATOM 1150 HG21 ILE A 124 23.496 147.007 -13.108 1.00 24.01 H +ATOM 1151 HG22 ILE A 124 22.976 147.837 -11.622 1.00 24.01 H +ATOM 1152 HG23 ILE A 124 22.151 146.350 -12.146 1.00 24.01 H +ATOM 1153 HD11 ILE A 124 21.863 146.526 -16.396 1.00 23.99 H +ATOM 1154 HD12 ILE A 124 22.666 148.035 -15.901 1.00 23.99 H +ATOM 1155 HD13 ILE A 124 23.080 146.502 -15.099 1.00 23.99 H +ATOM 1156 N GLU A 125 21.306 150.158 -10.896 1.00 27.05 N +ATOM 1157 CA GLU A 125 21.750 150.635 -9.595 1.00 27.91 C +ATOM 1158 C GLU A 125 20.580 150.589 -8.617 1.00 27.12 C +ATOM 1159 O GLU A 125 20.757 150.265 -7.447 1.00 27.15 O +ATOM 1160 CB GLU A 125 22.294 152.068 -9.686 1.00 30.04 C +ATOM 1161 CG GLU A 125 22.948 152.543 -8.392 1.00 34.21 C +ATOM 1162 CD GLU A 125 23.518 153.951 -8.481 1.00 37.39 C +ATOM 1163 OE1 GLU A 125 24.293 154.230 -9.419 1.00 40.05 O +ATOM 1164 OE2 GLU A 125 23.201 154.781 -7.604 1.00 39.44 O1- +ATOM 1165 H GLU A 125 21.316 150.781 -11.692 1.00 27.05 H +ATOM 1166 HA GLU A 125 22.541 149.980 -9.230 1.00 27.91 H +ATOM 1167 HB3 GLU A 125 21.484 152.747 -9.952 1.00 30.04 H +ATOM 1168 HB2 GLU A 125 23.016 152.130 -10.501 1.00 30.04 H +ATOM 1169 HG3 GLU A 125 23.741 151.849 -8.112 1.00 34.21 H +ATOM 1170 HG2 GLU A 125 22.221 152.497 -7.581 1.00 34.21 H +ATOM 1171 N LEU A 126 19.387 150.911 -9.113 1.00 26.86 N +ATOM 1172 CA LEU A 126 18.169 150.915 -8.306 1.00 26.51 C +ATOM 1173 C LEU A 126 17.744 149.504 -7.907 1.00 26.25 C +ATOM 1174 O LEU A 126 17.209 149.301 -6.823 1.00 26.13 O +ATOM 1175 CB LEU A 126 17.036 151.603 -9.070 1.00 26.36 C +ATOM 1176 CG LEU A 126 17.171 153.124 -9.174 1.00 27.08 C +ATOM 1177 CD1 LEU A 126 16.192 153.664 -10.205 1.00 27.41 C +ATOM 1178 CD2 LEU A 126 16.922 153.753 -7.807 1.00 26.46 C +ATOM 1179 H LEU A 126 19.297 151.166 -10.086 1.00 26.86 H +ATOM 1180 HA LEU A 126 18.363 151.483 -7.397 1.00 26.51 H +ATOM 1181 HB3 LEU A 126 16.083 151.356 -8.601 1.00 26.36 H +ATOM 1182 HB2 LEU A 126 16.965 151.177 -10.071 1.00 26.36 H +ATOM 1183 HG LEU A 126 18.185 153.365 -9.493 1.00 27.08 H +ATOM 1184 HD11 LEU A 126 16.295 154.747 -10.272 1.00 27.41 H +ATOM 1185 HD12 LEU A 126 16.404 153.218 -11.177 1.00 27.41 H +ATOM 1186 HD13 LEU A 126 15.174 153.414 -9.905 1.00 27.41 H +ATOM 1187 HD21 LEU A 126 17.018 154.836 -7.882 1.00 26.46 H +ATOM 1188 HD22 LEU A 126 15.917 153.501 -7.468 1.00 26.46 H +ATOM 1189 HD23 LEU A 126 17.652 153.373 -7.093 1.00 26.46 H +ATOM 1190 N ASN A 127 17.966 148.541 -8.797 1.00 25.70 N +ATOM 1191 CA ASN A 127 17.637 147.144 -8.525 1.00 25.05 C +ATOM 1192 C ASN A 127 18.440 146.234 -9.451 1.00 24.76 C +ATOM 1193 O ASN A 127 18.020 145.935 -10.568 1.00 24.47 O +ATOM 1194 CB ASN A 127 16.141 146.884 -8.705 1.00 24.97 C +ATOM 1195 CG ASN A 127 15.777 145.431 -8.457 1.00 25.16 C +ATOM 1196 OD1 ASN A 127 16.529 144.700 -7.814 1.00 25.94 O +ATOM 1197 ND2 ASN A 127 14.618 145.009 -8.956 1.00 24.92 N +ATOM 1198 H ASN A 127 18.374 148.766 -9.693 1.00 25.70 H +ATOM 1199 HA ASN A 127 17.908 146.917 -7.494 1.00 25.05 H +ATOM 1200 HB3 ASN A 127 15.843 147.165 -9.715 1.00 24.97 H +ATOM 1201 HB2 ASN A 127 15.578 147.521 -8.023 1.00 24.97 H +ATOM 1202 HD22 ASN A 127 14.328 144.051 -8.819 1.00 24.92 H +ATOM 1203 HD21 ASN A 127 14.028 145.646 -9.472 1.00 24.92 H +ATOM 1204 N ALA A 128 19.596 145.792 -8.969 1.00 24.05 N +ATOM 1205 CA ALA A 128 20.480 144.944 -9.750 1.00 24.19 C +ATOM 1206 C ALA A 128 19.925 143.545 -10.001 1.00 24.41 C +ATOM 1207 O ALA A 128 20.482 142.793 -10.801 1.00 24.28 O +ATOM 1208 CB ALA A 128 21.841 144.853 -9.070 1.00 24.29 C +ATOM 1209 H ALA A 128 19.882 146.044 -8.034 1.00 24.05 H +ATOM 1210 HA ALA A 128 20.625 145.421 -10.719 1.00 24.19 H +ATOM 1211 HB1 ALA A 128 22.500 144.216 -9.660 1.00 24.29 H +ATOM 1212 HB2 ALA A 128 22.275 145.849 -8.990 1.00 24.29 H +ATOM 1213 HB3 ALA A 128 21.722 144.428 -8.073 1.00 24.29 H +ATOM 1214 N ALA A 129 18.831 143.203 -9.322 1.00 23.79 N +ATOM 1215 CA ALA A 129 18.211 141.889 -9.486 1.00 23.67 C +ATOM 1216 C ALA A 129 17.162 141.886 -10.589 1.00 23.78 C +ATOM 1217 O ALA A 129 16.534 140.858 -10.845 1.00 23.87 O +ATOM 1218 CB ALA A 129 17.577 141.437 -8.175 1.00 23.08 C +ATOM 1219 H ALA A 129 18.411 143.857 -8.678 1.00 23.79 H +ATOM 1220 HA ALA A 129 18.990 141.175 -9.753 1.00 23.67 H +ATOM 1221 HB1 ALA A 129 17.119 140.457 -8.311 1.00 23.08 H +ATOM 1222 HB2 ALA A 129 18.344 141.374 -7.402 1.00 23.08 H +ATOM 1223 HB3 ALA A 129 16.815 142.155 -7.872 1.00 23.08 H +ATOM 1224 N ASN A 130 16.952 143.032 -11.235 1.00 23.20 N +ATOM 1225 CA ASN A 130 15.972 143.086 -12.312 1.00 22.93 C +ATOM 1226 C ASN A 130 16.603 142.508 -13.575 1.00 23.12 C +ATOM 1227 O ASN A 130 17.316 143.201 -14.301 1.00 22.02 O +ATOM 1228 CB ASN A 130 15.509 144.518 -12.579 1.00 22.20 C +ATOM 1229 CG ASN A 130 14.318 144.566 -13.504 1.00 21.76 C +ATOM 1230 OD1 ASN A 130 14.356 144.008 -14.601 1.00 22.31 O +ATOM 1231 ND2 ASN A 130 13.243 145.223 -13.066 1.00 21.10 N +ATOM 1232 H ASN A 130 17.471 143.859 -10.978 1.00 23.20 H +ATOM 1233 HA ASN A 130 15.109 142.479 -12.038 1.00 22.93 H +ATOM 1234 HB3 ASN A 130 16.329 145.089 -13.014 1.00 22.20 H +ATOM 1235 HB2 ASN A 130 15.254 144.998 -11.634 1.00 22.20 H +ATOM 1236 HD22 ASN A 130 12.419 145.285 -13.647 1.00 21.10 H +ATOM 1237 HD21 ASN A 130 13.253 145.658 -12.155 1.00 21.10 H +ATOM 1238 N TYR A 131 16.327 141.228 -13.816 1.00 22.85 N +ATOM 1239 CA TYR A 131 16.858 140.501 -14.962 1.00 22.59 C +ATOM 1240 C TYR A 131 16.329 141.010 -16.299 1.00 22.85 C +ATOM 1241 O TYR A 131 16.963 140.820 -17.332 1.00 22.89 O +ATOM 1242 CB TYR A 131 16.538 139.013 -14.797 1.00 21.87 C +ATOM 1243 CG TYR A 131 15.061 138.756 -14.660 1.00 21.88 C +ATOM 1244 CD1 TYR A 131 14.254 138.614 -15.788 1.00 20.46 C +ATOM 1245 CD2 TYR A 131 14.453 138.730 -13.401 1.00 21.43 C +ATOM 1246 CE1 TYR A 131 12.885 138.455 -15.670 1.00 20.67 C +ATOM 1247 CE2 TYR A 131 13.073 138.578 -13.273 1.00 20.71 C +ATOM 1248 CZ TYR A 131 12.299 138.441 -14.413 1.00 20.44 C +ATOM 1249 OH TYR A 131 10.938 138.298 -14.307 1.00 21.04 O +ATOM 1250 H TYR A 131 15.723 140.715 -13.190 1.00 22.85 H +ATOM 1251 HA TYR A 131 17.942 140.615 -14.962 1.00 22.59 H +ATOM 1252 HB3 TYR A 131 17.056 138.626 -13.920 1.00 21.87 H +ATOM 1253 HB2 TYR A 131 16.923 138.463 -15.655 1.00 21.87 H +ATOM 1254 HD1 TYR A 131 14.696 138.627 -16.773 1.00 20.46 H +ATOM 1255 HD2 TYR A 131 15.054 138.830 -12.509 1.00 21.43 H +ATOM 1256 HE1 TYR A 131 12.276 138.342 -16.555 1.00 20.67 H +ATOM 1257 HE2 TYR A 131 12.620 138.566 -12.293 1.00 20.71 H +ATOM 1258 HH TYR A 131 10.553 138.238 -15.184 1.00 21.04 H +ATOM 1259 N THR A 132 15.160 141.644 -16.296 1.00 23.62 N +ATOM 1260 CA THR A 132 14.610 142.169 -17.536 1.00 23.22 C +ATOM 1261 C THR A 132 15.503 143.314 -18.034 1.00 23.76 C +ATOM 1262 O THR A 132 15.786 143.423 -19.232 1.00 23.23 O +ATOM 1263 CB THR A 132 13.179 142.675 -17.331 1.00 23.29 C +ATOM 1264 OG1 THR A 132 12.325 141.560 -17.040 1.00 23.01 O +ATOM 1265 CG2 THR A 132 12.673 143.398 -18.587 1.00 23.20 C +ATOM 1266 H THR A 132 14.652 141.761 -15.431 1.00 23.62 H +ATOM 1267 HA THR A 132 14.602 141.376 -18.284 1.00 23.22 H +ATOM 1268 HB THR A 132 13.162 143.367 -16.489 1.00 23.29 H +ATOM 1269 HG1 THR A 132 12.277 141.433 -16.089 1.00 23.01 H +ATOM 1270 HG21 THR A 132 11.655 143.749 -18.419 1.00 23.20 H +ATOM 1271 HG22 THR A 132 13.319 144.249 -18.801 1.00 23.20 H +ATOM 1272 HG23 THR A 132 12.685 142.711 -19.433 1.00 23.20 H +ATOM 1273 N VAL A 133 15.957 144.153 -17.107 1.00 23.06 N +ATOM 1274 CA VAL A 133 16.831 145.263 -17.460 1.00 23.48 C +ATOM 1275 C VAL A 133 18.156 144.744 -18.005 1.00 23.91 C +ATOM 1276 O VAL A 133 18.667 145.250 -19.005 1.00 23.91 O +ATOM 1277 CB VAL A 133 17.120 146.169 -16.240 1.00 23.26 C +ATOM 1278 CG1 VAL A 133 18.155 147.220 -16.607 1.00 22.50 C +ATOM 1279 CG2 VAL A 133 15.829 146.842 -15.769 1.00 22.29 C +ATOM 1280 H VAL A 133 15.697 144.026 -16.140 1.00 23.06 H +ATOM 1281 HA VAL A 133 16.345 145.860 -18.231 1.00 23.48 H +ATOM 1282 HB VAL A 133 17.513 145.554 -15.430 1.00 23.26 H +ATOM 1283 HG11 VAL A 133 18.353 147.854 -15.743 1.00 22.50 H +ATOM 1284 HG12 VAL A 133 19.078 146.730 -16.917 1.00 22.50 H +ATOM 1285 HG13 VAL A 133 17.777 147.832 -17.427 1.00 22.50 H +ATOM 1286 HG21 VAL A 133 16.043 147.478 -14.910 1.00 22.29 H +ATOM 1287 HG22 VAL A 133 15.420 147.449 -16.577 1.00 22.29 H +ATOM 1288 HG23 VAL A 133 15.104 146.080 -15.485 1.00 22.29 H +ATOM 1289 N TRP A 134 18.720 143.736 -17.342 1.00 24.56 N +ATOM 1290 CA TRP A 134 19.987 143.164 -17.787 1.00 24.58 C +ATOM 1291 C TRP A 134 19.880 142.587 -19.197 1.00 25.43 C +ATOM 1292 O TRP A 134 20.791 142.747 -20.011 1.00 25.35 O +ATOM 1293 CB TRP A 134 20.458 142.073 -16.823 1.00 23.00 C +ATOM 1294 CG TRP A 134 21.068 142.605 -15.560 1.00 22.65 C +ATOM 1295 CD1 TRP A 134 20.510 142.602 -14.311 1.00 21.93 C +ATOM 1296 CD2 TRP A 134 22.358 143.215 -15.421 1.00 21.92 C +ATOM 1297 NE1 TRP A 134 21.374 143.165 -13.405 1.00 21.11 N +ATOM 1298 CE2 TRP A 134 22.515 143.553 -14.058 1.00 21.43 C +ATOM 1299 CE3 TRP A 134 23.396 143.512 -16.317 1.00 21.80 C +ATOM 1300 CZ2 TRP A 134 23.670 144.173 -13.566 1.00 21.36 C +ATOM 1301 CZ3 TRP A 134 24.548 144.131 -15.825 1.00 21.85 C +ATOM 1302 CH2 TRP A 134 24.672 144.453 -14.462 1.00 21.37 C +ATOM 1303 H TRP A 134 18.271 143.357 -16.520 1.00 24.56 H +ATOM 1304 HA TRP A 134 20.735 143.957 -17.798 1.00 24.58 H +ATOM 1305 HB3 TRP A 134 21.178 141.430 -17.329 1.00 23.00 H +ATOM 1306 HB2 TRP A 134 19.619 141.424 -16.574 1.00 23.00 H +ATOM 1307 HD1 TRP A 134 19.523 142.190 -14.162 1.00 21.93 H +ATOM 1308 HE1 TRP A 134 21.111 143.235 -12.433 1.00 21.11 H +ATOM 1309 HE3 TRP A 134 23.295 143.261 -17.362 1.00 21.80 H +ATOM 1310 HZ2 TRP A 134 23.749 144.414 -12.517 1.00 21.36 H +ATOM 1311 HZ3 TRP A 134 25.361 144.370 -16.496 1.00 21.85 H +ATOM 1312 HH2 TRP A 134 25.580 144.931 -14.124 1.00 21.37 H +ATOM 1313 N HIS A 135 18.771 141.913 -19.485 1.00 25.91 N +ATOM 1314 CA HIS A 135 18.590 141.334 -20.808 1.00 27.33 C +ATOM 1315 C HIS A 135 18.566 142.438 -21.856 1.00 27.17 C +ATOM 1316 O HIS A 135 19.216 142.334 -22.894 1.00 26.65 O +ATOM 1317 CB HIS A 135 17.282 140.545 -20.896 1.00 28.74 C +ATOM 1318 CG HIS A 135 16.971 140.066 -22.281 1.00 30.69 C +ATOM 1319 ND1 HIS A 135 16.067 140.497 -23.192 1.00 31.94 N +ATOM 1320 CD2 HIS A 135 17.685 139.061 -22.899 1.00 31.30 C +ATOM 1321 CE1 HIS A 135 16.254 139.757 -24.334 1.00 32.29 C +ATOM 1322 NE2 HIS A 135 17.236 138.897 -24.131 1.00 31.83 N +ATOM 1323 H HIS A 135 18.051 141.803 -18.785 1.00 25.91 H +ATOM 1324 HA HIS A 135 19.423 140.664 -21.018 1.00 27.33 H +ATOM 1325 HB3 HIS A 135 16.461 141.164 -20.534 1.00 28.74 H +ATOM 1326 HB2 HIS A 135 17.328 139.692 -20.219 1.00 28.74 H +ATOM 1327 HD2 HIS A 135 18.421 138.584 -22.399 1.00 31.30 H +ATOM 1328 HE1 HIS A 135 15.676 139.925 -25.145 1.00 32.29 H +ATOM 1329 HE2 HIS A 135 17.680 138.150 -24.773 1.00 31.83 H +ATOM 1330 N PHE A 136 17.805 143.492 -21.583 1.00 26.74 N +ATOM 1331 CA PHE A 136 17.704 144.602 -22.517 1.00 26.96 C +ATOM 1332 C PHE A 136 19.062 145.286 -22.689 1.00 26.68 C +ATOM 1333 O PHE A 136 19.442 145.633 -23.803 1.00 26.33 O +ATOM 1334 CB PHE A 136 16.658 145.616 -22.036 1.00 27.52 C +ATOM 1335 CG PHE A 136 16.280 146.633 -23.078 1.00 28.67 C +ATOM 1336 CD1 PHE A 136 15.695 146.235 -24.278 1.00 29.48 C +ATOM 1337 CD2 PHE A 136 16.516 147.986 -22.868 1.00 28.95 C +ATOM 1338 CE1 PHE A 136 15.349 147.171 -25.254 1.00 30.05 C +ATOM 1339 CE2 PHE A 136 16.175 148.931 -23.838 1.00 29.37 C +ATOM 1340 CZ PHE A 136 15.592 148.524 -25.032 1.00 29.49 C +ATOM 1341 H PHE A 136 17.287 143.530 -20.717 1.00 26.74 H +ATOM 1342 HA PHE A 136 17.388 144.212 -23.485 1.00 26.96 H +ATOM 1343 HB3 PHE A 136 17.032 146.128 -21.149 1.00 27.52 H +ATOM 1344 HB2 PHE A 136 15.764 145.085 -21.708 1.00 27.52 H +ATOM 1345 HD1 PHE A 136 15.503 145.188 -24.463 1.00 29.48 H +ATOM 1346 HD2 PHE A 136 16.969 148.319 -21.946 1.00 28.95 H +ATOM 1347 HE1 PHE A 136 14.895 146.844 -26.178 1.00 30.05 H +ATOM 1348 HE2 PHE A 136 16.364 149.979 -23.661 1.00 29.37 H +ATOM 1349 HZ PHE A 136 15.327 149.251 -25.785 1.00 29.49 H +ATOM 1350 N ARG A 137 19.794 145.476 -21.592 1.00 26.45 N +ATOM 1351 CA ARG A 137 21.107 146.110 -21.672 1.00 26.91 C +ATOM 1352 C ARG A 137 21.989 145.277 -22.599 1.00 27.86 C +ATOM 1353 O ARG A 137 22.768 145.809 -23.386 1.00 28.10 O +ATOM 1354 CB ARG A 137 21.762 146.195 -20.288 1.00 25.60 C +ATOM 1355 CG ARG A 137 23.084 146.958 -20.286 1.00 25.66 C +ATOM 1356 CD ARG A 137 23.751 146.949 -18.922 1.00 24.99 C +ATOM 1357 NE ARG A 137 25.071 147.580 -18.944 1.00 24.44 N +ATOM 1358 CZ ARG A 137 25.281 148.896 -18.938 1.00 25.22 C +ATOM 1359 NH1 ARG A 137 24.257 149.746 -18.910 1.00 24.72 N +ATOM 1360 NH2 ARG A 137 26.520 149.365 -18.950 1.00 24.79 N1+ +ATOM 1361 H ARG A 137 19.442 145.181 -20.692 1.00 26.45 H +ATOM 1362 HA ARG A 137 20.999 147.114 -22.083 1.00 26.91 H +ATOM 1363 HB3 ARG A 137 21.925 145.188 -19.903 1.00 25.60 H +ATOM 1364 HB2 ARG A 137 21.071 146.666 -19.589 1.00 25.60 H +ATOM 1365 HG3 ARG A 137 22.909 147.987 -20.597 1.00 25.66 H +ATOM 1366 HG2 ARG A 137 23.758 146.518 -21.022 1.00 25.66 H +ATOM 1367 HD3 ARG A 137 23.846 145.921 -18.572 1.00 24.99 H +ATOM 1368 HD2 ARG A 137 23.114 147.466 -18.204 1.00 24.99 H +ATOM 1369 HE ARG A 137 25.855 146.944 -18.964 1.00 24.44 H +ATOM 1370 HH12 ARG A 137 24.427 150.742 -18.906 1.00 24.72 H +ATOM 1371 HH11 ARG A 137 23.310 149.395 -18.893 1.00 24.72 H +ATOM 1372 HH22 ARG A 137 26.683 150.362 -18.945 1.00 24.79 H +ATOM 1373 HH21 ARG A 137 27.302 148.726 -18.963 1.00 24.79 H +ATOM 1374 N ARG A 138 21.846 143.962 -22.494 1.00 28.73 N +ATOM 1375 CA ARG A 138 22.609 143.026 -23.304 1.00 29.75 C +ATOM 1376 C ARG A 138 22.226 143.211 -24.774 1.00 29.84 C +ATOM 1377 O ARG A 138 23.090 143.224 -25.652 1.00 29.52 O +ATOM 1378 CB ARG A 138 22.307 141.602 -22.833 1.00 30.65 C +ATOM 1379 CG ARG A 138 23.506 140.692 -22.721 1.00 31.43 C +ATOM 1380 CD ARG A 138 23.165 139.473 -21.872 1.00 31.89 C +ATOM 1381 NE ARG A 138 23.271 139.803 -20.462 1.00 32.97 N +ATOM 1382 CZ ARG A 138 22.462 139.362 -19.505 1.00 31.68 C +ATOM 1383 NH1 ARG A 138 21.452 138.549 -19.783 1.00 30.74 N +ATOM 1384 NH2 ARG A 138 22.670 139.758 -18.260 1.00 31.21 N1+ +ATOM 1385 H ARG A 138 21.187 143.577 -21.833 1.00 28.73 H +ATOM 1386 HA ARG A 138 23.673 143.227 -23.181 1.00 29.75 H +ATOM 1387 HB3 ARG A 138 21.573 141.150 -23.499 1.00 30.65 H +ATOM 1388 HB2 ARG A 138 21.794 141.642 -21.872 1.00 30.65 H +ATOM 1389 HG3 ARG A 138 24.332 141.235 -22.262 1.00 31.43 H +ATOM 1390 HG2 ARG A 138 23.810 140.368 -23.716 1.00 31.43 H +ATOM 1391 HD3 ARG A 138 23.854 138.662 -22.107 1.00 31.89 H +ATOM 1392 HD2 ARG A 138 22.148 139.149 -22.093 1.00 31.89 H +ATOM 1393 HE ARG A 138 24.036 140.422 -20.232 1.00 32.97 H +ATOM 1394 HH12 ARG A 138 20.847 138.224 -19.042 1.00 30.74 H +ATOM 1395 HH11 ARG A 138 21.288 138.255 -20.735 1.00 30.74 H +ATOM 1396 HH22 ARG A 138 22.065 139.433 -17.519 1.00 31.21 H +ATOM 1397 HH21 ARG A 138 23.434 140.384 -18.050 1.00 31.21 H +ATOM 1398 N VAL A 139 20.929 143.361 -25.037 1.00 29.76 N +ATOM 1399 CA VAL A 139 20.446 143.577 -26.399 1.00 30.19 C +ATOM 1400 C VAL A 139 21.029 144.883 -26.959 1.00 30.64 C +ATOM 1401 O VAL A 139 21.375 144.965 -28.138 1.00 30.70 O +ATOM 1402 CB VAL A 139 18.897 143.661 -26.442 1.00 30.44 C +ATOM 1403 CG1 VAL A 139 18.431 144.191 -27.791 1.00 29.78 C +ATOM 1404 CG2 VAL A 139 18.295 142.286 -26.189 1.00 30.52 C +ATOM 1405 H VAL A 139 20.255 143.326 -24.286 1.00 29.76 H +ATOM 1406 HA VAL A 139 20.772 142.747 -27.025 1.00 30.19 H +ATOM 1407 HB VAL A 139 18.560 144.343 -25.661 1.00 30.44 H +ATOM 1408 HG11 VAL A 139 17.342 144.244 -27.805 1.00 29.78 H +ATOM 1409 HG12 VAL A 139 18.845 145.186 -27.954 1.00 29.78 H +ATOM 1410 HG13 VAL A 139 18.772 143.523 -28.582 1.00 29.78 H +ATOM 1411 HG21 VAL A 139 17.208 142.353 -26.220 1.00 30.52 H +ATOM 1412 HG22 VAL A 139 18.638 141.591 -26.956 1.00 30.52 H +ATOM 1413 HG23 VAL A 139 18.608 141.927 -25.208 1.00 30.52 H +ATOM 1414 N LEU A 140 21.140 145.898 -26.108 1.00 30.59 N +ATOM 1415 CA LEU A 140 21.680 147.185 -26.527 1.00 30.68 C +ATOM 1416 C LEU A 140 23.181 147.098 -26.760 1.00 31.22 C +ATOM 1417 O LEU A 140 23.709 147.732 -27.675 1.00 31.06 O +ATOM 1418 CB LEU A 140 21.378 148.259 -25.482 1.00 29.77 C +ATOM 1419 CG LEU A 140 19.901 148.628 -25.290 1.00 30.48 C +ATOM 1420 CD1 LEU A 140 19.749 149.581 -24.107 1.00 30.13 C +ATOM 1421 CD2 LEU A 140 19.366 149.262 -26.558 1.00 30.05 C +ATOM 1422 H LEU A 140 20.847 145.786 -25.148 1.00 30.59 H +ATOM 1423 HA LEU A 140 21.202 147.472 -27.464 1.00 30.68 H +ATOM 1424 HB3 LEU A 140 21.945 149.160 -25.717 1.00 29.77 H +ATOM 1425 HB2 LEU A 140 21.800 147.956 -24.523 1.00 29.77 H +ATOM 1426 HG LEU A 140 19.335 147.719 -25.085 1.00 30.48 H +ATOM 1427 HD11 LEU A 140 18.697 149.837 -23.978 1.00 30.13 H +ATOM 1428 HD12 LEU A 140 20.118 149.099 -23.202 1.00 30.13 H +ATOM 1429 HD13 LEU A 140 20.323 150.488 -24.295 1.00 30.13 H +ATOM 1430 HD21 LEU A 140 18.317 149.523 -26.419 1.00 30.05 H +ATOM 1431 HD22 LEU A 140 19.937 150.163 -26.782 1.00 30.05 H +ATOM 1432 HD23 LEU A 140 19.459 148.558 -27.384 1.00 30.05 H +ATOM 1433 N LEU A 141 23.871 146.319 -25.933 1.00 31.68 N +ATOM 1434 CA LEU A 141 25.312 146.153 -26.085 1.00 32.63 C +ATOM 1435 C LEU A 141 25.616 145.695 -27.508 1.00 33.51 C +ATOM 1436 O LEU A 141 26.563 146.169 -28.140 1.00 32.95 O +ATOM 1437 CB LEU A 141 25.851 145.116 -25.090 1.00 32.16 C +ATOM 1438 CG LEU A 141 26.202 145.582 -23.674 1.00 32.45 C +ATOM 1439 CD1 LEU A 141 26.557 144.383 -22.803 1.00 32.03 C +ATOM 1440 CD2 LEU A 141 27.369 146.557 -23.734 1.00 31.71 C +ATOM 1441 H LEU A 141 23.398 145.832 -25.185 1.00 31.68 H +ATOM 1442 HA LEU A 141 25.803 147.109 -25.905 1.00 32.63 H +ATOM 1443 HB3 LEU A 141 26.717 144.619 -25.527 1.00 32.16 H +ATOM 1444 HB2 LEU A 141 25.150 144.283 -25.028 1.00 32.16 H +ATOM 1445 HG LEU A 141 25.338 146.089 -23.244 1.00 32.45 H +ATOM 1446 HD11 LEU A 141 26.805 144.724 -21.798 1.00 32.03 H +ATOM 1447 HD12 LEU A 141 25.706 143.703 -22.755 1.00 32.03 H +ATOM 1448 HD13 LEU A 141 27.414 143.863 -23.231 1.00 32.03 H +ATOM 1449 HD21 LEU A 141 27.618 146.889 -22.726 1.00 31.71 H +ATOM 1450 HD22 LEU A 141 28.233 146.063 -24.177 1.00 31.71 H +ATOM 1451 HD23 LEU A 141 27.092 147.419 -24.341 1.00 31.71 H +ATOM 1452 N LYS A 142 24.798 144.776 -28.009 1.00 34.11 N +ATOM 1453 CA LYS A 142 24.984 144.249 -29.353 1.00 35.47 C +ATOM 1454 C LYS A 142 24.514 145.238 -30.423 1.00 35.29 C +ATOM 1455 O LYS A 142 25.240 145.521 -31.371 1.00 35.22 O +ATOM 1456 CB LYS A 142 24.239 142.915 -29.497 1.00 36.54 C +ATOM 1457 CG LYS A 142 24.609 142.137 -30.747 1.00 39.29 C +ATOM 1458 CD LYS A 142 23.823 140.830 -30.863 1.00 41.29 C +ATOM 1459 CE LYS A 142 24.271 140.009 -32.080 1.00 42.41 C +ATOM 1460 NZ LYS A 142 24.100 140.746 -33.371 1.00 43.22 N1+ +ATOM 1461 H LYS A 142 24.028 144.429 -27.455 1.00 34.11 H +ATOM 1462 HA LYS A 142 26.048 144.063 -29.502 1.00 35.47 H +ATOM 1463 HB3 LYS A 142 23.165 143.099 -29.490 1.00 36.54 H +ATOM 1464 HB2 LYS A 142 24.428 142.299 -28.618 1.00 36.54 H +ATOM 1465 HG3 LYS A 142 25.677 141.918 -30.736 1.00 39.29 H +ATOM 1466 HG2 LYS A 142 24.420 142.753 -31.627 1.00 39.29 H +ATOM 1467 HD3 LYS A 142 22.759 141.053 -30.947 1.00 41.29 H +ATOM 1468 HD2 LYS A 142 23.963 140.241 -29.957 1.00 41.29 H +ATOM 1469 HE3 LYS A 142 23.705 139.078 -32.117 1.00 42.41 H +ATOM 1470 HE2 LYS A 142 25.317 139.725 -31.961 1.00 42.41 H +ATOM 1471 HZ1 LYS A 142 24.650 141.592 -33.351 1.00 43.22 H +ATOM 1472 HZ2 LYS A 142 24.409 140.162 -34.136 1.00 43.22 H +ATOM 1473 HZ3 LYS A 142 23.126 140.980 -33.499 1.00 43.22 H +ATOM 1474 N SER A 143 23.307 145.773 -30.262 1.00 35.29 N +ATOM 1475 CA SER A 143 22.757 146.726 -31.224 1.00 35.77 C +ATOM 1476 C SER A 143 23.644 147.949 -31.445 1.00 35.34 C +ATOM 1477 O SER A 143 23.873 148.355 -32.581 1.00 35.49 O +ATOM 1478 CB SER A 143 21.375 147.204 -30.776 1.00 35.96 C +ATOM 1479 OG SER A 143 20.450 146.136 -30.745 1.00 38.30 O +ATOM 1480 H SER A 143 22.746 145.522 -29.460 1.00 35.29 H +ATOM 1481 HA SER A 143 22.644 146.214 -32.180 1.00 35.77 H +ATOM 1482 HB3 SER A 143 21.018 147.973 -31.461 1.00 35.96 H +ATOM 1483 HB2 SER A 143 21.449 147.649 -29.784 1.00 35.96 H +ATOM 1484 HG SER A 143 20.588 145.616 -29.950 1.00 38.30 H +ATOM 1485 N LEU A 144 24.130 148.535 -30.357 1.00 34.52 N +ATOM 1486 CA LEU A 144 24.970 149.722 -30.432 1.00 34.56 C +ATOM 1487 C LEU A 144 26.442 149.375 -30.628 1.00 35.34 C +ATOM 1488 O LEU A 144 27.288 150.264 -30.713 1.00 35.61 O +ATOM 1489 CB LEU A 144 24.803 150.556 -29.156 1.00 33.59 C +ATOM 1490 CG LEU A 144 23.365 150.945 -28.785 1.00 33.37 C +ATOM 1491 CD1 LEU A 144 23.340 151.615 -27.424 1.00 32.38 C +ATOM 1492 CD2 LEU A 144 22.789 151.868 -29.848 1.00 32.41 C +ATOM 1493 H LEU A 144 23.920 148.157 -29.444 1.00 34.52 H +ATOM 1494 HA LEU A 144 24.642 150.323 -31.281 1.00 34.56 H +ATOM 1495 HB3 LEU A 144 25.411 151.457 -29.233 1.00 33.59 H +ATOM 1496 HB2 LEU A 144 25.259 150.027 -28.319 1.00 33.59 H +ATOM 1497 HG LEU A 144 22.758 150.041 -28.741 1.00 33.37 H +ATOM 1498 HD11 LEU A 144 22.315 151.887 -27.171 1.00 32.38 H +ATOM 1499 HD12 LEU A 144 23.729 150.928 -26.673 1.00 32.38 H +ATOM 1500 HD13 LEU A 144 23.958 152.513 -27.449 1.00 32.38 H +ATOM 1501 HD21 LEU A 144 21.768 152.141 -29.579 1.00 32.41 H +ATOM 1502 HD22 LEU A 144 23.399 152.769 -29.917 1.00 32.41 H +ATOM 1503 HD23 LEU A 144 22.786 151.357 -30.811 1.00 32.41 H +ATOM 1504 N GLN A 145 26.743 148.083 -30.701 1.00 36.00 N +ATOM 1505 CA GLN A 145 28.117 147.617 -30.873 1.00 37.19 C +ATOM 1506 C GLN A 145 29.035 148.247 -29.833 1.00 36.72 C +ATOM 1507 O GLN A 145 30.124 148.723 -30.158 1.00 36.59 O +ATOM 1508 CB GLN A 145 28.635 147.955 -32.277 1.00 38.62 C +ATOM 1509 CG GLN A 145 27.752 147.455 -33.404 1.00 41.62 C +ATOM 1510 CD GLN A 145 28.469 147.441 -34.740 1.00 43.95 C +ATOM 1511 OE1 GLN A 145 28.143 148.400 -35.603 1.00 45.67 O +ATOM 1512 NE2 GLN A 145 29.316 146.582 -34.989 1.00 44.70 N +ATOM 1513 H GLN A 145 26.011 147.390 -30.639 1.00 36.00 H +ATOM 1514 HA GLN A 145 28.136 146.535 -30.745 1.00 37.19 H +ATOM 1515 HB3 GLN A 145 29.639 147.549 -32.399 1.00 38.62 H +ATOM 1516 HB2 GLN A 145 28.759 149.034 -32.367 1.00 38.62 H +ATOM 1517 HG3 GLN A 145 26.865 148.085 -33.475 1.00 41.62 H +ATOM 1518 HG2 GLN A 145 27.400 146.450 -33.170 1.00 41.62 H +ATOM 1519 HE22 GLN A 145 29.788 146.582 -35.882 1.00 44.70 H +ATOM 1520 HE21 GLN A 145 29.539 145.878 -34.300 1.00 44.70 H +ATOM 1521 N LYS A 146 28.588 148.244 -28.582 1.00 36.13 N +ATOM 1522 CA LYS A 146 29.357 148.821 -27.486 1.00 35.74 C +ATOM 1523 C LYS A 146 30.671 148.086 -27.250 1.00 35.50 C +ATOM 1524 O LYS A 146 30.795 146.894 -27.542 1.00 34.98 O +ATOM 1525 CB LYS A 146 28.529 148.811 -26.196 1.00 35.62 C +ATOM 1526 CG LYS A 146 27.174 149.493 -26.315 1.00 35.91 C +ATOM 1527 CD LYS A 146 27.296 150.971 -26.675 1.00 36.03 C +ATOM 1528 CE LYS A 146 27.993 151.762 -25.577 1.00 36.15 C +ATOM 1529 NZ LYS A 146 28.050 153.224 -25.879 1.00 35.97 N1+ +ATOM 1530 H LYS A 146 27.690 147.834 -28.367 1.00 36.13 H +ATOM 1531 HA LYS A 146 29.585 149.857 -27.737 1.00 35.74 H +ATOM 1532 HB3 LYS A 146 29.101 149.281 -25.396 1.00 35.62 H +ATOM 1533 HB2 LYS A 146 28.388 147.781 -25.866 1.00 35.62 H +ATOM 1534 HG3 LYS A 146 26.634 149.393 -25.373 1.00 35.91 H +ATOM 1535 HG2 LYS A 146 26.577 148.983 -27.071 1.00 35.91 H +ATOM 1536 HD3 LYS A 146 26.303 151.386 -26.846 1.00 36.03 H +ATOM 1537 HD2 LYS A 146 27.855 151.073 -27.606 1.00 36.03 H +ATOM 1538 HE3 LYS A 146 29.005 151.380 -25.442 1.00 36.15 H +ATOM 1539 HE2 LYS A 146 27.472 151.608 -24.632 1.00 36.15 H +ATOM 1540 HZ1 LYS A 146 27.112 153.585 -25.977 1.00 35.97 H +ATOM 1541 HZ2 LYS A 146 28.519 153.706 -25.126 1.00 35.97 H +ATOM 1542 HZ3 LYS A 146 28.558 153.371 -26.740 1.00 35.97 H +ATOM 1543 N ASP A 147 31.653 148.805 -26.718 1.00 35.31 N +ATOM 1544 CA ASP A 147 32.953 148.218 -26.431 1.00 35.17 C +ATOM 1545 C ASP A 147 32.826 147.287 -25.231 1.00 34.51 C +ATOM 1546 O ASP A 147 32.590 147.734 -24.108 1.00 34.08 O +ATOM 1547 CB ASP A 147 33.971 149.318 -26.139 1.00 36.51 C +ATOM 1548 CG ASP A 147 35.356 148.770 -25.900 1.00 37.95 C +ATOM 1549 OD1 ASP A 147 35.599 148.200 -24.814 1.00 38.15 O +ATOM 1550 OD2 ASP A 147 36.199 148.899 -26.810 1.00 40.32 O1- +ATOM 1551 H ASP A 147 31.505 149.781 -26.504 1.00 35.31 H +ATOM 1552 HA ASP A 147 33.285 147.644 -27.296 1.00 35.17 H +ATOM 1553 HB3 ASP A 147 33.650 149.885 -25.265 1.00 36.51 H +ATOM 1554 HB2 ASP A 147 33.997 150.019 -26.973 1.00 36.51 H +ATOM 1555 N LEU A 148 32.997 145.990 -25.472 1.00 34.01 N +ATOM 1556 CA LEU A 148 32.863 144.994 -24.420 1.00 33.12 C +ATOM 1557 C LEU A 148 33.899 145.076 -23.306 1.00 32.88 C +ATOM 1558 O LEU A 148 33.608 144.706 -22.173 1.00 32.28 O +ATOM 1559 CB LEU A 148 32.837 143.591 -25.034 1.00 32.77 C +ATOM 1560 CG LEU A 148 31.710 143.368 -26.053 1.00 32.56 C +ATOM 1561 CD1 LEU A 148 31.659 141.906 -26.454 1.00 31.63 C +ATOM 1562 CD2 LEU A 148 30.374 143.791 -25.452 1.00 32.34 C +ATOM 1563 H LEU A 148 33.226 145.676 -26.405 1.00 34.01 H +ATOM 1564 HA LEU A 148 31.889 145.154 -23.957 1.00 33.12 H +ATOM 1565 HB3 LEU A 148 32.756 142.850 -24.238 1.00 32.77 H +ATOM 1566 HB2 LEU A 148 33.797 143.386 -25.507 1.00 32.77 H +ATOM 1567 HG LEU A 148 31.908 143.972 -26.938 1.00 32.56 H +ATOM 1568 HD11 LEU A 148 30.857 141.755 -27.177 1.00 31.63 H +ATOM 1569 HD12 LEU A 148 32.610 141.619 -26.902 1.00 31.63 H +ATOM 1570 HD13 LEU A 148 31.473 141.293 -25.573 1.00 31.63 H +ATOM 1571 HD21 LEU A 148 29.580 143.630 -26.181 1.00 32.34 H +ATOM 1572 HD22 LEU A 148 30.173 143.200 -24.559 1.00 32.34 H +ATOM 1573 HD23 LEU A 148 30.413 144.848 -25.186 1.00 32.34 H +ATOM 1574 N HIS A 149 35.102 145.554 -23.603 1.00 33.13 N +ATOM 1575 CA HIS A 149 36.110 145.668 -22.552 1.00 33.87 C +ATOM 1576 C HIS A 149 35.665 146.771 -21.604 1.00 34.44 C +ATOM 1577 O HIS A 149 35.967 146.755 -20.405 1.00 34.28 O +ATOM 1578 CB HIS A 149 37.483 145.992 -23.143 1.00 34.79 C +ATOM 1579 CG HIS A 149 38.049 144.884 -23.975 1.00 36.09 C +ATOM 1580 ND1 HIS A 149 38.275 144.793 -25.308 1.00 36.65 N1+ +ATOM 1581 CD2 HIS A 149 38.398 143.660 -23.443 1.00 36.49 C +ATOM 1582 CE1 HIS A 149 38.747 143.524 -25.553 1.00 36.91 C +ATOM 1583 NE2 HIS A 149 38.812 142.861 -24.411 1.00 37.46 N +ATOM 1584 H HIS A 149 35.314 145.836 -24.549 1.00 33.13 H +ATOM 1585 HA HIS A 149 36.167 144.727 -22.006 1.00 33.87 H +ATOM 1586 HB3 HIS A 149 38.177 146.230 -22.337 1.00 34.79 H +ATOM 1587 HB2 HIS A 149 37.413 146.897 -23.746 1.00 34.79 H +ATOM 1588 HD1 HIS A 149 38.077 145.639 -25.949 1.00 36.65 H +ATOM 1589 HD2 HIS A 149 38.313 143.499 -22.449 1.00 36.49 H +ATOM 1590 HE1 HIS A 149 38.978 143.245 -26.495 1.00 36.91 H +ATOM 1591 HE2 HIS A 149 39.127 141.854 -24.182 1.00 37.46 H +ATOM 1592 N GLU A 150 34.929 147.730 -22.151 1.00 34.86 N +ATOM 1593 CA GLU A 150 34.424 148.828 -21.347 1.00 35.49 C +ATOM 1594 C GLU A 150 33.349 148.245 -20.428 1.00 34.21 C +ATOM 1595 O GLU A 150 33.302 148.547 -19.236 1.00 33.31 O +ATOM 1596 CB GLU A 150 33.817 149.904 -22.249 1.00 37.66 C +ATOM 1597 CG GLU A 150 33.952 151.305 -21.700 1.00 41.33 C +ATOM 1598 CD GLU A 150 35.402 151.764 -21.661 1.00 44.12 C +ATOM 1599 OE1 GLU A 150 35.672 152.863 -21.122 1.00 45.73 O +ATOM 1600 OE2 GLU A 150 36.274 151.025 -22.175 1.00 45.30 O1- +ATOM 1601 H GLU A 150 34.714 147.701 -23.137 1.00 34.86 H +ATOM 1602 HA GLU A 150 35.231 149.254 -20.752 1.00 35.49 H +ATOM 1603 HB3 GLU A 150 32.763 149.682 -22.418 1.00 37.66 H +ATOM 1604 HB2 GLU A 150 34.282 149.855 -23.234 1.00 37.66 H +ATOM 1605 HG3 GLU A 150 33.533 151.342 -20.694 1.00 41.33 H +ATOM 1606 HG2 GLU A 150 33.370 151.993 -22.313 1.00 41.33 H +ATOM 1607 N GLU A 151 32.494 147.398 -20.992 1.00 33.38 N +ATOM 1608 CA GLU A 151 31.427 146.772 -20.219 1.00 33.11 C +ATOM 1609 C GLU A 151 32.020 145.866 -19.133 1.00 32.79 C +ATOM 1610 O GLU A 151 31.465 145.755 -18.039 1.00 32.68 O +ATOM 1611 CB GLU A 151 30.501 145.967 -21.141 1.00 32.66 C +ATOM 1612 CG GLU A 151 29.301 145.341 -20.432 1.00 32.11 C +ATOM 1613 CD GLU A 151 28.275 146.363 -19.964 1.00 31.97 C +ATOM 1614 OE1 GLU A 151 28.599 147.570 -19.909 1.00 30.89 O +ATOM 1615 OE2 GLU A 151 27.139 145.951 -19.636 1.00 31.50 O1- +ATOM 1616 H GLU A 151 32.576 147.177 -21.974 1.00 33.38 H +ATOM 1617 HA GLU A 151 30.842 147.555 -19.737 1.00 33.11 H +ATOM 1618 HB3 GLU A 151 31.076 145.184 -21.637 1.00 32.66 H +ATOM 1619 HB2 GLU A 151 30.149 146.608 -21.949 1.00 32.66 H +ATOM 1620 HG3 GLU A 151 29.648 144.760 -19.577 1.00 32.11 H +ATOM 1621 HG2 GLU A 151 28.820 144.625 -21.097 1.00 32.11 H +ATOM 1622 N MET A 152 33.151 145.230 -19.431 1.00 32.35 N +ATOM 1623 CA MET A 152 33.809 144.361 -18.458 1.00 32.11 C +ATOM 1624 C MET A 152 34.248 145.157 -17.230 1.00 31.68 C +ATOM 1625 O MET A 152 34.145 144.674 -16.103 1.00 31.54 O +ATOM 1626 CB MET A 152 35.027 143.668 -19.084 1.00 32.75 C +ATOM 1627 CG MET A 152 34.715 142.370 -19.831 1.00 34.15 C +ATOM 1628 SD MET A 152 34.311 140.979 -18.719 1.00 34.87 S +ATOM 1629 CE MET A 152 35.958 140.367 -18.334 1.00 35.12 C +ATOM 1630 H MET A 152 33.569 145.345 -20.344 1.00 32.35 H +ATOM 1631 HA MET A 152 33.100 143.597 -18.140 1.00 32.11 H +ATOM 1632 HB3 MET A 152 35.767 143.469 -18.309 1.00 32.75 H +ATOM 1633 HB2 MET A 152 35.529 144.361 -19.759 1.00 32.75 H +ATOM 1634 HG3 MET A 152 35.566 142.099 -20.456 1.00 34.15 H +ATOM 1635 HG2 MET A 152 33.885 142.538 -20.517 1.00 34.15 H +ATOM 1636 HE1 MET A 152 35.880 139.512 -17.661 1.00 35.12 H +ATOM 1637 HE2 MET A 152 36.457 140.060 -19.253 1.00 35.12 H +ATOM 1638 HE3 MET A 152 36.536 141.156 -17.853 1.00 35.12 H +ATOM 1639 N ASN A 153 34.745 146.372 -17.449 1.00 31.25 N +ATOM 1640 CA ASN A 153 35.184 147.217 -16.339 1.00 30.44 C +ATOM 1641 C ASN A 153 33.960 147.611 -15.520 1.00 29.43 C +ATOM 1642 O ASN A 153 34.033 147.778 -14.306 1.00 28.95 O +ATOM 1643 CB ASN A 153 35.884 148.481 -16.848 1.00 30.82 C +ATOM 1644 CG ASN A 153 37.138 148.180 -17.645 1.00 32.11 C +ATOM 1645 OD1 ASN A 153 37.897 147.266 -17.322 1.00 32.61 O +ATOM 1646 ND2 ASN A 153 37.374 148.969 -18.687 1.00 32.70 N +ATOM 1647 H ASN A 153 34.823 146.724 -18.392 1.00 31.25 H +ATOM 1648 HA ASN A 153 35.872 146.653 -15.709 1.00 30.44 H +ATOM 1649 HB3 ASN A 153 36.138 149.120 -16.002 1.00 30.82 H +ATOM 1650 HB2 ASN A 153 35.192 149.055 -17.464 1.00 30.82 H +ATOM 1651 HD22 ASN A 153 38.194 148.820 -19.258 1.00 32.70 H +ATOM 1652 HD21 ASN A 153 36.734 149.719 -18.908 1.00 32.70 H +ATOM 1653 N TYR A 154 32.832 147.768 -16.198 1.00 28.70 N +ATOM 1654 CA TYR A 154 31.591 148.120 -15.524 1.00 28.11 C +ATOM 1655 C TYR A 154 31.109 146.966 -14.637 1.00 27.54 C +ATOM 1656 O TYR A 154 30.864 147.153 -13.444 1.00 27.64 O +ATOM 1657 CB TYR A 154 30.513 148.454 -16.559 1.00 27.85 C +ATOM 1658 CG TYR A 154 29.114 148.531 -15.987 1.00 28.10 C +ATOM 1659 CD1 TYR A 154 28.765 149.522 -15.070 1.00 27.38 C +ATOM 1660 CD2 TYR A 154 28.133 147.614 -16.369 1.00 28.13 C +ATOM 1661 CE1 TYR A 154 27.474 149.601 -14.549 1.00 27.94 C +ATOM 1662 CE2 TYR A 154 26.836 147.685 -15.854 1.00 27.67 C +ATOM 1663 CZ TYR A 154 26.517 148.682 -14.946 1.00 28.09 C +ATOM 1664 OH TYR A 154 25.240 148.769 -14.443 1.00 28.51 O +ATOM 1665 H TYR A 154 32.824 147.642 -17.200 1.00 28.70 H +ATOM 1666 HA TYR A 154 31.765 148.997 -14.900 1.00 28.11 H +ATOM 1667 HB3 TYR A 154 30.537 147.713 -17.358 1.00 27.85 H +ATOM 1668 HB2 TYR A 154 30.758 149.400 -17.043 1.00 27.85 H +ATOM 1669 HD1 TYR A 154 29.500 150.246 -14.751 1.00 27.38 H +ATOM 1670 HD2 TYR A 154 28.371 146.831 -17.074 1.00 28.13 H +ATOM 1671 HE1 TYR A 154 27.225 150.377 -13.840 1.00 27.94 H +ATOM 1672 HE2 TYR A 154 26.091 146.967 -16.164 1.00 27.67 H +ATOM 1673 HH TYR A 154 24.701 148.066 -14.813 1.00 28.51 H +ATOM 1674 N ILE A 155 30.990 145.772 -15.219 1.00 26.94 N +ATOM 1675 CA ILE A 155 30.509 144.610 -14.473 1.00 26.30 C +ATOM 1676 C ILE A 155 31.444 144.273 -13.320 1.00 26.53 C +ATOM 1677 O ILE A 155 31.008 143.761 -12.282 1.00 25.54 O +ATOM 1678 CB ILE A 155 30.341 143.381 -15.389 1.00 26.10 C +ATOM 1679 CG1 ILE A 155 29.406 142.362 -14.725 1.00 26.36 C +ATOM 1680 CG2 ILE A 155 31.690 142.734 -15.660 1.00 26.15 C +ATOM 1681 CD1 ILE A 155 27.993 142.896 -14.433 1.00 25.29 C +ATOM 1682 H ILE A 155 31.234 145.657 -16.192 1.00 26.94 H +ATOM 1683 HA ILE A 155 29.533 144.857 -14.056 1.00 26.30 H +ATOM 1684 HB ILE A 155 29.904 143.700 -16.335 1.00 26.10 H +ATOM 1685 HG13 ILE A 155 29.857 142.009 -13.797 1.00 26.36 H +ATOM 1686 HG12 ILE A 155 29.334 141.475 -15.353 1.00 26.36 H +ATOM 1687 HG21 ILE A 155 31.555 141.868 -16.308 1.00 26.15 H +ATOM 1688 HG22 ILE A 155 32.346 143.454 -16.149 1.00 26.15 H +ATOM 1689 HG23 ILE A 155 32.137 142.417 -14.718 1.00 26.15 H +ATOM 1690 HD11 ILE A 155 27.397 142.113 -13.964 1.00 25.29 H +ATOM 1691 HD12 ILE A 155 28.059 143.753 -13.762 1.00 25.29 H +ATOM 1692 HD13 ILE A 155 27.520 143.202 -15.366 1.00 25.29 H +ATOM 1693 N THR A 156 32.729 144.572 -13.501 1.00 26.47 N +ATOM 1694 CA THR A 156 33.726 144.329 -12.469 1.00 26.79 C +ATOM 1695 C THR A 156 33.374 145.161 -11.232 1.00 26.87 C +ATOM 1696 O THR A 156 33.354 144.647 -10.111 1.00 26.46 O +ATOM 1697 CB THR A 156 35.150 144.720 -12.951 1.00 27.69 C +ATOM 1698 OG1 THR A 156 35.553 143.857 -14.025 1.00 27.26 O +ATOM 1699 CG2 THR A 156 36.153 144.601 -11.810 1.00 27.39 C +ATOM 1700 H THR A 156 33.034 144.980 -14.373 1.00 26.47 H +ATOM 1701 HA THR A 156 33.716 143.272 -12.203 1.00 26.79 H +ATOM 1702 HB THR A 156 35.136 145.750 -13.307 1.00 27.69 H +ATOM 1703 HG1 THR A 156 35.248 144.220 -14.860 1.00 27.26 H +ATOM 1704 HG21 THR A 156 37.145 144.879 -12.167 1.00 27.39 H +ATOM 1705 HG22 THR A 156 35.860 145.266 -10.998 1.00 27.39 H +ATOM 1706 HG23 THR A 156 36.172 143.573 -11.448 1.00 27.39 H +ATOM 1707 N ALA A 157 33.083 146.442 -11.441 1.00 26.75 N +ATOM 1708 CA ALA A 157 32.729 147.320 -10.330 1.00 26.95 C +ATOM 1709 C ALA A 157 31.404 146.896 -9.702 1.00 26.98 C +ATOM 1710 O ALA A 157 31.262 146.885 -8.480 1.00 27.80 O +ATOM 1711 CB ALA A 157 32.642 148.760 -10.803 1.00 26.19 C +ATOM 1712 H ALA A 157 33.105 146.820 -12.377 1.00 26.75 H +ATOM 1713 HA ALA A 157 33.509 147.251 -9.571 1.00 26.95 H +ATOM 1714 HB1 ALA A 157 32.377 149.403 -9.964 1.00 26.19 H +ATOM 1715 HB2 ALA A 157 33.606 149.069 -11.207 1.00 26.19 H +ATOM 1716 HB3 ALA A 157 31.880 148.843 -11.578 1.00 26.19 H +ATOM 1717 N ILE A 158 30.437 146.539 -10.540 1.00 26.76 N +ATOM 1718 CA ILE A 158 29.127 146.121 -10.056 1.00 26.86 C +ATOM 1719 C ILE A 158 29.204 144.891 -9.149 1.00 26.45 C +ATOM 1720 O ILE A 158 28.640 144.882 -8.053 1.00 26.08 O +ATOM 1721 CB ILE A 158 28.181 145.823 -11.236 1.00 27.43 C +ATOM 1722 CG1 ILE A 158 27.945 147.106 -12.036 1.00 28.42 C +ATOM 1723 CG2 ILE A 158 26.867 145.246 -10.731 1.00 27.69 C +ATOM 1724 CD1 ILE A 158 27.436 148.275 -11.197 1.00 28.83 C +ATOM 1725 H ILE A 158 30.601 146.554 -11.536 1.00 26.76 H +ATOM 1726 HA ILE A 158 28.701 146.941 -9.479 1.00 26.86 H +ATOM 1727 HB ILE A 158 28.656 145.089 -11.887 1.00 27.43 H +ATOM 1728 HG13 ILE A 158 27.239 146.905 -12.842 1.00 28.42 H +ATOM 1729 HG12 ILE A 158 28.869 147.395 -12.536 1.00 28.42 H +ATOM 1730 HG21 ILE A 158 26.210 145.041 -11.576 1.00 27.69 H +ATOM 1731 HG22 ILE A 158 27.060 144.320 -10.189 1.00 27.69 H +ATOM 1732 HG23 ILE A 158 26.387 145.963 -10.064 1.00 27.69 H +ATOM 1733 HD11 ILE A 158 27.293 149.147 -11.835 1.00 28.83 H +ATOM 1734 HD12 ILE A 158 26.487 148.004 -10.734 1.00 28.83 H +ATOM 1735 HD13 ILE A 158 28.164 148.509 -10.420 1.00 28.83 H +ATOM 1736 N ILE A 159 29.898 143.855 -9.608 1.00 25.83 N +ATOM 1737 CA ILE A 159 30.040 142.634 -8.826 1.00 25.45 C +ATOM 1738 C ILE A 159 30.732 142.916 -7.493 1.00 26.01 C +ATOM 1739 O ILE A 159 30.380 142.331 -6.473 1.00 25.25 O +ATOM 1740 CB ILE A 159 30.832 141.561 -9.604 1.00 24.04 C +ATOM 1741 CG1 ILE A 159 30.000 141.068 -10.789 1.00 23.50 C +ATOM 1742 CG2 ILE A 159 31.185 140.399 -8.685 1.00 23.45 C +ATOM 1743 CD1 ILE A 159 30.745 140.129 -11.719 1.00 22.86 C +ATOM 1744 H ILE A 159 30.339 143.905 -10.515 1.00 25.83 H +ATOM 1745 HA ILE A 159 29.044 142.242 -8.619 1.00 25.45 H +ATOM 1746 HB ILE A 159 31.753 142.006 -9.980 1.00 24.04 H +ATOM 1747 HG13 ILE A 159 29.636 141.925 -11.356 1.00 23.50 H +ATOM 1748 HG12 ILE A 159 29.102 140.573 -10.420 1.00 23.50 H +ATOM 1749 HG21 ILE A 159 31.743 139.649 -9.245 1.00 23.45 H +ATOM 1750 HG22 ILE A 159 31.794 140.762 -7.857 1.00 23.45 H +ATOM 1751 HG23 ILE A 159 30.270 139.954 -8.294 1.00 23.45 H +ATOM 1752 HD11 ILE A 159 30.087 139.825 -12.533 1.00 22.86 H +ATOM 1753 HD12 ILE A 159 31.617 140.639 -12.129 1.00 22.86 H +ATOM 1754 HD13 ILE A 159 31.067 139.248 -11.165 1.00 22.86 H +ATOM 1755 N GLU A 160 31.712 143.815 -7.501 1.00 26.79 N +ATOM 1756 CA GLU A 160 32.421 144.160 -6.271 1.00 28.43 C +ATOM 1757 C GLU A 160 31.429 144.703 -5.235 1.00 29.41 C +ATOM 1758 O GLU A 160 31.550 144.429 -4.046 1.00 29.50 O +ATOM 1759 CB GLU A 160 33.502 145.211 -6.553 1.00 28.28 C +ATOM 1760 CG GLU A 160 34.713 144.707 -7.316 1.00 29.09 C +ATOM 1761 CD GLU A 160 35.675 143.903 -6.445 1.00 30.38 C +ATOM 1762 OE1 GLU A 160 35.523 143.923 -5.204 1.00 30.39 O +ATOM 1763 OE2 GLU A 160 36.595 143.261 -7.002 1.00 30.87 O1- +ATOM 1764 H GLU A 160 31.974 144.269 -8.364 1.00 26.79 H +ATOM 1765 HA GLU A 160 32.895 143.263 -5.873 1.00 28.43 H +ATOM 1766 HB3 GLU A 160 33.828 145.655 -5.612 1.00 28.28 H +ATOM 1767 HB2 GLU A 160 33.059 146.048 -7.094 1.00 28.28 H +ATOM 1768 HG3 GLU A 160 35.242 145.552 -7.755 1.00 29.09 H +ATOM 1769 HG2 GLU A 160 34.383 144.092 -8.153 1.00 29.09 H +ATOM 1770 N GLU A 161 30.443 145.462 -5.703 1.00 30.44 N +ATOM 1771 CA GLU A 161 29.425 146.051 -4.835 1.00 31.76 C +ATOM 1772 C GLU A 161 28.343 145.058 -4.421 1.00 31.46 C +ATOM 1773 O GLU A 161 27.841 145.114 -3.302 1.00 31.20 O +ATOM 1774 CB GLU A 161 28.750 147.226 -5.543 1.00 33.65 C +ATOM 1775 CG GLU A 161 29.580 148.492 -5.609 1.00 37.57 C +ATOM 1776 CD GLU A 161 29.123 149.419 -6.725 1.00 40.10 C +ATOM 1777 OE1 GLU A 161 27.898 149.477 -6.995 1.00 41.24 O +ATOM 1778 OE2 GLU A 161 29.991 150.094 -7.326 1.00 41.87 O1- +ATOM 1779 H GLU A 161 30.377 145.651 -6.693 1.00 30.44 H +ATOM 1780 HA GLU A 161 29.913 146.425 -3.935 1.00 31.76 H +ATOM 1781 HB3 GLU A 161 27.799 147.443 -5.056 1.00 33.65 H +ATOM 1782 HB2 GLU A 161 28.470 146.926 -6.553 1.00 33.65 H +ATOM 1783 HG3 GLU A 161 30.627 148.232 -5.760 1.00 37.57 H +ATOM 1784 HG2 GLU A 161 29.518 149.016 -4.655 1.00 37.57 H +ATOM 1785 N GLN A 162 27.973 144.169 -5.338 1.00 30.75 N +ATOM 1786 CA GLN A 162 26.937 143.177 -5.074 1.00 30.41 C +ATOM 1787 C GLN A 162 27.391 141.810 -5.577 1.00 29.29 C +ATOM 1788 O GLN A 162 26.890 141.305 -6.580 1.00 29.15 O +ATOM 1789 CB GLN A 162 25.639 143.597 -5.769 1.00 31.24 C +ATOM 1790 CG GLN A 162 25.219 145.021 -5.421 1.00 33.09 C +ATOM 1791 CD GLN A 162 23.782 145.319 -5.778 1.00 34.05 C +ATOM 1792 OE1 GLN A 162 22.867 144.618 -5.342 1.00 35.88 O +ATOM 1793 NE2 GLN A 162 23.570 146.367 -6.565 1.00 34.81 N +ATOM 1794 H GLN A 162 28.413 144.168 -6.248 1.00 30.75 H +ATOM 1795 HA GLN A 162 26.764 143.121 -4.000 1.00 30.41 H +ATOM 1796 HB3 GLN A 162 24.841 142.907 -5.494 1.00 31.24 H +ATOM 1797 HB2 GLN A 162 25.761 143.509 -6.848 1.00 31.24 H +ATOM 1798 HG3 GLN A 162 25.873 145.727 -5.934 1.00 33.09 H +ATOM 1799 HG2 GLN A 162 25.371 145.194 -4.356 1.00 33.09 H +ATOM 1800 HE22 GLN A 162 22.629 146.613 -6.835 1.00 34.81 H +ATOM 1801 HE21 GLN A 162 24.350 146.919 -6.893 1.00 34.81 H +ATOM 1802 N PRO A 163 28.345 141.190 -4.868 1.00 28.17 N +ATOM 1803 CA PRO A 163 28.898 139.883 -5.220 1.00 27.92 C +ATOM 1804 C PRO A 163 27.992 138.670 -5.034 1.00 28.11 C +ATOM 1805 O PRO A 163 28.338 137.579 -5.477 1.00 28.07 O +ATOM 1806 CB PRO A 163 30.148 139.805 -4.353 1.00 28.13 C +ATOM 1807 CG PRO A 163 29.716 140.509 -3.109 1.00 27.56 C +ATOM 1808 CD PRO A 163 28.976 141.715 -3.644 1.00 28.09 C +ATOM 1809 HA PRO A 163 29.210 139.916 -6.264 1.00 27.92 H +ATOM 1810 HB3 PRO A 163 30.949 140.372 -4.827 1.00 28.13 H +ATOM 1811 HB2 PRO A 163 30.358 138.761 -4.120 1.00 28.13 H +ATOM 1812 HG3 PRO A 163 30.597 140.842 -2.560 1.00 27.56 H +ATOM 1813 HG2 PRO A 163 29.020 139.874 -2.560 1.00 27.56 H +ATOM 1814 HD2 PRO A 163 28.200 142.004 -2.935 1.00 28.09 H +ATOM 1815 HD3 PRO A 163 29.696 142.488 -3.914 1.00 28.09 H +ATOM 1816 N LYS A 164 26.842 138.843 -4.391 1.00 28.05 N +ATOM 1817 CA LYS A 164 25.949 137.707 -4.185 1.00 29.10 C +ATOM 1818 C LYS A 164 24.702 137.740 -5.061 1.00 28.79 C +ATOM 1819 O LYS A 164 23.727 137.033 -4.809 1.00 29.74 O +ATOM 1820 CB LYS A 164 25.565 137.601 -2.706 1.00 30.06 C +ATOM 1821 CG LYS A 164 26.745 137.235 -1.807 1.00 31.82 C +ATOM 1822 CD LYS A 164 26.291 136.712 -0.453 1.00 33.87 C +ATOM 1823 CE LYS A 164 27.466 136.140 0.338 1.00 35.15 C +ATOM 1824 NZ LYS A 164 27.009 135.411 1.566 1.00 37.19 N1+ +ATOM 1825 H LYS A 164 26.588 139.758 -4.047 1.00 28.05 H +ATOM 1826 HA LYS A 164 26.504 136.805 -4.443 1.00 29.10 H +ATOM 1827 HB3 LYS A 164 24.776 136.858 -2.589 1.00 30.06 H +ATOM 1828 HB2 LYS A 164 25.138 138.547 -2.374 1.00 30.06 H +ATOM 1829 HG3 LYS A 164 27.377 138.111 -1.665 1.00 31.82 H +ATOM 1830 HG2 LYS A 164 27.356 136.479 -2.301 1.00 31.82 H +ATOM 1831 HD3 LYS A 164 25.539 135.937 -0.597 1.00 33.87 H +ATOM 1832 HD2 LYS A 164 25.833 137.523 0.114 1.00 33.87 H +ATOM 1833 HE3 LYS A 164 28.138 136.949 0.625 1.00 35.15 H +ATOM 1834 HE2 LYS A 164 28.033 135.460 -0.297 1.00 35.15 H +ATOM 1835 HZ1 LYS A 164 26.169 134.892 1.357 1.00 37.19 H +ATOM 1836 HZ2 LYS A 164 27.732 134.774 1.869 1.00 37.19 H +ATOM 1837 HZ3 LYS A 164 26.818 136.077 2.302 1.00 37.19 H +ATOM 1838 N ASN A 165 24.760 138.546 -6.111 1.00 28.17 N +ATOM 1839 CA ASN A 165 23.659 138.707 -7.052 1.00 27.27 C +ATOM 1840 C ASN A 165 23.854 137.768 -8.255 1.00 26.85 C +ATOM 1841 O ASN A 165 24.945 137.704 -8.819 1.00 26.94 O +ATOM 1842 CB ASN A 165 23.623 140.172 -7.493 1.00 27.01 C +ATOM 1843 CG ASN A 165 22.658 140.423 -8.619 1.00 27.45 C +ATOM 1844 OD1 ASN A 165 22.807 139.874 -9.708 1.00 26.98 O +ATOM 1845 ND2 ASN A 165 21.660 141.268 -8.368 1.00 26.97 N +ATOM 1846 H ASN A 165 25.596 139.084 -6.288 1.00 28.17 H +ATOM 1847 HA ASN A 165 22.722 138.460 -6.553 1.00 27.27 H +ATOM 1848 HB3 ASN A 165 24.622 140.484 -7.797 1.00 27.01 H +ATOM 1849 HB2 ASN A 165 23.358 140.800 -6.643 1.00 27.01 H +ATOM 1850 HD22 ASN A 165 20.981 141.475 -9.086 1.00 26.97 H +ATOM 1851 HD21 ASN A 165 21.582 141.701 -7.459 1.00 26.97 H +ATOM 1852 N TYR A 166 22.802 137.043 -8.640 1.00 25.82 N +ATOM 1853 CA TYR A 166 22.876 136.105 -9.767 1.00 24.58 C +ATOM 1854 C TYR A 166 23.082 136.759 -11.129 1.00 24.28 C +ATOM 1855 O TYR A 166 23.876 136.283 -11.942 1.00 23.28 O +ATOM 1856 CB TYR A 166 21.604 135.251 -9.872 1.00 24.24 C +ATOM 1857 CG TYR A 166 21.500 134.067 -8.928 1.00 23.91 C +ATOM 1858 CD1 TYR A 166 20.953 134.211 -7.656 1.00 23.24 C +ATOM 1859 CD2 TYR A 166 21.909 132.791 -9.330 1.00 23.80 C +ATOM 1860 CE1 TYR A 166 20.804 133.122 -6.808 1.00 23.85 C +ATOM 1861 CE2 TYR A 166 21.767 131.684 -8.485 1.00 23.80 C +ATOM 1862 CZ TYR A 166 21.207 131.859 -7.225 1.00 24.35 C +ATOM 1863 OH TYR A 166 21.008 130.772 -6.391 1.00 24.58 O +ATOM 1864 H TYR A 166 21.922 137.132 -8.152 1.00 25.82 H +ATOM 1865 HA TYR A 166 23.716 135.434 -9.589 1.00 24.58 H +ATOM 1866 HB3 TYR A 166 21.488 134.903 -10.898 1.00 24.24 H +ATOM 1867 HB2 TYR A 166 20.731 135.890 -9.742 1.00 24.24 H +ATOM 1868 HD1 TYR A 166 20.635 135.184 -7.313 1.00 23.24 H +ATOM 1869 HD2 TYR A 166 22.343 132.646 -10.308 1.00 23.80 H +ATOM 1870 HE1 TYR A 166 20.375 133.257 -5.826 1.00 23.85 H +ATOM 1871 HE2 TYR A 166 22.091 130.708 -8.814 1.00 23.80 H +ATOM 1872 HH TYR A 166 20.587 131.065 -5.579 1.00 24.58 H +ATOM 1873 N GLN A 167 22.341 137.836 -11.383 1.00 24.07 N +ATOM 1874 CA GLN A 167 22.410 138.527 -12.664 1.00 23.55 C +ATOM 1875 C GLN A 167 23.772 139.121 -13.022 1.00 22.94 C +ATOM 1876 O GLN A 167 24.203 139.033 -14.173 1.00 22.82 O +ATOM 1877 CB GLN A 167 21.339 139.624 -12.728 1.00 24.07 C +ATOM 1878 CG GLN A 167 19.895 139.110 -12.734 1.00 24.61 C +ATOM 1879 CD GLN A 167 19.464 138.534 -11.393 1.00 25.65 C +ATOM 1880 OE1 GLN A 167 19.783 139.086 -10.332 1.00 25.91 O +ATOM 1881 NE2 GLN A 167 18.721 137.435 -11.432 1.00 26.37 N +ATOM 1882 H GLN A 167 21.711 138.192 -10.679 1.00 24.07 H +ATOM 1883 HA GLN A 167 22.166 137.797 -13.435 1.00 23.55 H +ATOM 1884 HB3 GLN A 167 21.506 140.241 -13.611 1.00 24.07 H +ATOM 1885 HB2 GLN A 167 21.474 140.310 -11.891 1.00 24.07 H +ATOM 1886 HG3 GLN A 167 19.785 138.349 -13.507 1.00 24.61 H +ATOM 1887 HG2 GLN A 167 19.223 139.922 -13.013 1.00 24.61 H +ATOM 1888 HE22 GLN A 167 18.406 137.008 -10.572 1.00 26.37 H +ATOM 1889 HE21 GLN A 167 18.471 137.026 -12.321 1.00 26.37 H +ATOM 1890 N VAL A 168 24.455 139.723 -12.056 1.00 22.14 N +ATOM 1891 CA VAL A 168 25.748 140.324 -12.355 1.00 21.62 C +ATOM 1892 C VAL A 168 26.768 139.278 -12.779 1.00 21.59 C +ATOM 1893 O VAL A 168 27.544 139.510 -13.704 1.00 21.03 O +ATOM 1894 CB VAL A 168 26.278 141.150 -11.161 1.00 21.27 C +ATOM 1895 CG1 VAL A 168 25.267 142.238 -10.823 1.00 21.07 C +ATOM 1896 CG2 VAL A 168 26.535 140.257 -9.949 1.00 20.87 C +ATOM 1897 H VAL A 168 24.077 139.762 -11.120 1.00 22.14 H +ATOM 1898 HA VAL A 168 25.608 141.007 -13.192 1.00 21.62 H +ATOM 1899 HB VAL A 168 27.216 141.622 -11.453 1.00 21.27 H +ATOM 1900 HG11 VAL A 168 25.633 142.826 -9.982 1.00 21.07 H +ATOM 1901 HG12 VAL A 168 25.129 142.888 -11.688 1.00 21.07 H +ATOM 1902 HG13 VAL A 168 24.314 141.780 -10.559 1.00 21.07 H +ATOM 1903 HG21 VAL A 168 26.907 140.863 -9.123 1.00 20.87 H +ATOM 1904 HG22 VAL A 168 25.606 139.771 -9.651 1.00 20.87 H +ATOM 1905 HG23 VAL A 168 27.275 139.499 -10.205 1.00 20.87 H +ATOM 1906 N TRP A 169 26.762 138.118 -12.124 1.00 21.21 N +ATOM 1907 CA TRP A 169 27.708 137.076 -12.501 1.00 21.13 C +ATOM 1908 C TRP A 169 27.398 136.519 -13.885 1.00 21.74 C +ATOM 1909 O TRP A 169 28.316 136.257 -14.665 1.00 21.28 O +ATOM 1910 CB TRP A 169 27.734 135.949 -11.467 1.00 20.75 C +ATOM 1911 CG TRP A 169 28.500 136.320 -10.225 1.00 20.78 C +ATOM 1912 CD1 TRP A 169 27.983 136.748 -9.034 1.00 20.16 C +ATOM 1913 CD2 TRP A 169 29.927 136.329 -10.070 1.00 20.27 C +ATOM 1914 NE1 TRP A 169 28.998 137.022 -8.150 1.00 19.91 N +ATOM 1915 CE2 TRP A 169 30.200 136.773 -8.760 1.00 20.11 C +ATOM 1916 CE3 TRP A 169 31.001 136.004 -10.914 1.00 20.39 C +ATOM 1917 CZ2 TRP A 169 31.512 136.903 -8.266 1.00 20.55 C +ATOM 1918 CZ3 TRP A 169 32.299 136.131 -10.430 1.00 20.13 C +ATOM 1919 CH2 TRP A 169 32.543 136.578 -9.113 1.00 20.35 C +ATOM 1920 H TRP A 169 26.105 137.965 -11.373 1.00 21.21 H +ATOM 1921 HA TRP A 169 28.702 137.523 -12.535 1.00 21.13 H +ATOM 1922 HB3 TRP A 169 28.176 135.059 -11.913 1.00 20.75 H +ATOM 1923 HB2 TRP A 169 26.712 135.682 -11.197 1.00 20.75 H +ATOM 1924 HD1 TRP A 169 26.913 136.826 -8.907 1.00 20.16 H +ATOM 1925 HE1 TRP A 169 28.783 137.350 -7.220 1.00 19.91 H +ATOM 1926 HE3 TRP A 169 30.812 135.662 -11.921 1.00 20.39 H +ATOM 1927 HZ2 TRP A 169 31.677 137.247 -7.256 1.00 20.55 H +ATOM 1928 HZ3 TRP A 169 33.138 135.888 -11.065 1.00 20.13 H +ATOM 1929 HH2 TRP A 169 33.566 136.661 -8.775 1.00 20.35 H +ATOM 1930 N HIS A 170 26.114 136.349 -14.204 1.00 21.66 N +ATOM 1931 CA HIS A 170 25.757 135.833 -15.516 1.00 22.48 C +ATOM 1932 C HIS A 170 26.111 136.831 -16.616 1.00 22.86 C +ATOM 1933 O HIS A 170 26.496 136.439 -17.711 1.00 23.31 O +ATOM 1934 CB HIS A 170 24.266 135.503 -15.611 1.00 21.97 C +ATOM 1935 CG HIS A 170 23.883 134.881 -16.919 1.00 22.64 C +ATOM 1936 ND1 HIS A 170 24.236 133.699 -17.477 1.00 22.88 N +ATOM 1937 CD2 HIS A 170 23.101 135.527 -17.855 1.00 22.47 C +ATOM 1938 CE1 HIS A 170 23.673 133.657 -18.729 1.00 22.03 C +ATOM 1939 NE2 HIS A 170 22.993 134.771 -18.932 1.00 22.98 N +ATOM 1940 H HIS A 170 25.393 136.577 -13.534 1.00 21.66 H +ATOM 1941 HA HIS A 170 26.322 134.918 -15.690 1.00 22.48 H +ATOM 1942 HB3 HIS A 170 23.684 136.412 -15.458 1.00 21.97 H +ATOM 1943 HB2 HIS A 170 23.991 134.832 -14.797 1.00 21.97 H +ATOM 1944 HD2 HIS A 170 22.717 136.438 -17.649 1.00 22.47 H +ATOM 1945 HE1 HIS A 170 23.819 132.852 -19.321 1.00 22.03 H +ATOM 1946 HE2 HIS A 170 22.416 135.115 -19.778 1.00 22.98 H +ATOM 1947 N HIS A 171 25.960 138.119 -16.328 1.00 23.20 N +ATOM 1948 CA HIS A 171 26.280 139.149 -17.310 1.00 23.31 C +ATOM 1949 C HIS A 171 27.768 139.060 -17.639 1.00 22.93 C +ATOM 1950 O HIS A 171 28.159 139.140 -18.802 1.00 22.77 O +ATOM 1951 CB HIS A 171 25.954 140.546 -16.763 1.00 23.11 C +ATOM 1952 CG HIS A 171 26.058 141.639 -17.788 1.00 23.46 C +ATOM 1953 ND1 HIS A 171 25.172 141.763 -18.838 1.00 23.16 N +ATOM 1954 CD2 HIS A 171 26.953 142.649 -17.929 1.00 23.54 C +ATOM 1955 CE1 HIS A 171 25.516 142.802 -19.581 1.00 23.74 C +ATOM 1956 NE2 HIS A 171 26.593 143.356 -19.052 1.00 23.64 N +ATOM 1957 H HIS A 171 25.619 138.396 -15.419 1.00 23.20 H +ATOM 1958 HA HIS A 171 25.700 138.973 -18.217 1.00 23.31 H +ATOM 1959 HB3 HIS A 171 26.616 140.770 -15.927 1.00 23.11 H +ATOM 1960 HB2 HIS A 171 24.950 140.543 -16.338 1.00 23.11 H +ATOM 1961 HD2 HIS A 171 27.756 142.762 -17.216 1.00 23.54 H +ATOM 1962 HE1 HIS A 171 24.934 143.058 -20.454 1.00 23.74 H +ATOM 1963 HE2 HIS A 171 27.136 144.158 -19.339 1.00 23.64 H +ATOM 1964 N ARG A 172 28.592 138.891 -16.608 1.00 22.86 N +ATOM 1965 CA ARG A 172 30.031 138.786 -16.800 1.00 23.03 C +ATOM 1966 C ARG A 172 30.381 137.542 -17.613 1.00 23.89 C +ATOM 1967 O ARG A 172 31.253 137.585 -18.479 1.00 23.35 O +ATOM 1968 CB ARG A 172 30.762 138.733 -15.459 1.00 23.12 C +ATOM 1969 CG ARG A 172 32.267 138.881 -15.608 1.00 23.21 C +ATOM 1970 CD ARG A 172 33.023 138.626 -14.320 1.00 23.72 C +ATOM 1971 NE ARG A 172 34.460 138.750 -14.543 1.00 24.39 N +ATOM 1972 CZ ARG A 172 35.157 139.875 -14.396 1.00 25.24 C +ATOM 1973 NH1 ARG A 172 34.558 140.997 -14.007 1.00 24.15 N +ATOM 1974 NH2 ARG A 172 36.457 139.885 -14.663 1.00 25.39 N1+ +ATOM 1975 H ARG A 172 28.222 138.834 -15.670 1.00 22.86 H +ATOM 1976 HA ARG A 172 30.373 139.665 -17.347 1.00 23.03 H +ATOM 1977 HB3 ARG A 172 30.538 137.790 -14.961 1.00 23.12 H +ATOM 1978 HB2 ARG A 172 30.383 139.522 -14.809 1.00 23.12 H +ATOM 1979 HG3 ARG A 172 32.498 139.883 -15.971 1.00 23.21 H +ATOM 1980 HG2 ARG A 172 32.623 138.198 -16.379 1.00 23.21 H +ATOM 1981 HD3 ARG A 172 32.797 137.622 -13.960 1.00 23.72 H +ATOM 1982 HD2 ARG A 172 32.709 139.347 -13.565 1.00 23.72 H +ATOM 1983 HE ARG A 172 34.926 137.901 -14.829 1.00 24.39 H +ATOM 1984 HH12 ARG A 172 35.095 141.845 -13.899 1.00 24.15 H +ATOM 1985 HH11 ARG A 172 33.565 141.001 -13.820 1.00 24.15 H +ATOM 1986 HH22 ARG A 172 36.989 140.737 -14.553 1.00 25.39 H +ATOM 1987 HH21 ARG A 172 36.914 139.041 -14.977 1.00 25.39 H +ATOM 1988 N ARG A 173 29.711 136.429 -17.334 1.00 24.36 N +ATOM 1989 CA ARG A 173 29.984 135.214 -18.084 1.00 24.78 C +ATOM 1990 C ARG A 173 29.691 135.451 -19.565 1.00 24.69 C +ATOM 1991 O ARG A 173 30.483 135.076 -20.425 1.00 24.09 O +ATOM 1992 CB ARG A 173 29.143 134.047 -17.569 1.00 25.30 C +ATOM 1993 CG ARG A 173 29.136 132.853 -18.512 1.00 25.95 C +ATOM 1994 CD ARG A 173 28.566 131.620 -17.847 1.00 26.94 C +ATOM 1995 NE ARG A 173 28.380 130.526 -18.795 1.00 27.42 N +ATOM 1996 CZ ARG A 173 28.144 129.267 -18.440 1.00 27.93 C +ATOM 1997 NH1 ARG A 173 28.068 128.941 -17.153 1.00 27.33 N +ATOM 1998 NH2 ARG A 173 27.978 128.336 -19.370 1.00 27.70 N1+ +ATOM 1999 H ARG A 173 29.015 136.428 -16.602 1.00 24.36 H +ATOM 2000 HA ARG A 173 31.039 134.962 -17.972 1.00 24.78 H +ATOM 2001 HB3 ARG A 173 28.120 134.384 -17.404 1.00 25.30 H +ATOM 2002 HB2 ARG A 173 29.515 133.736 -16.593 1.00 25.30 H +ATOM 2003 HG3 ARG A 173 30.153 132.648 -18.845 1.00 25.95 H +ATOM 2004 HG2 ARG A 173 28.546 133.093 -19.397 1.00 25.95 H +ATOM 2005 HD3 ARG A 173 27.610 131.866 -17.385 1.00 26.94 H +ATOM 2006 HD2 ARG A 173 29.234 131.298 -17.048 1.00 26.94 H +ATOM 2007 HE ARG A 173 28.440 130.772 -19.773 1.00 27.42 H +ATOM 2008 HH12 ARG A 173 27.889 127.984 -16.885 1.00 27.33 H +ATOM 2009 HH11 ARG A 173 28.190 129.650 -16.444 1.00 27.33 H +ATOM 2010 HH22 ARG A 173 27.799 127.379 -19.100 1.00 27.70 H +ATOM 2011 HH21 ARG A 173 28.031 128.583 -20.347 1.00 27.70 H +ATOM 2012 N VAL A 174 28.555 136.080 -19.852 1.00 24.31 N +ATOM 2013 CA VAL A 174 28.182 136.365 -21.234 1.00 25.06 C +ATOM 2014 C VAL A 174 29.267 137.195 -21.920 1.00 25.65 C +ATOM 2015 O VAL A 174 29.647 136.913 -23.055 1.00 26.18 O +ATOM 2016 CB VAL A 174 26.833 137.123 -21.305 1.00 24.91 C +ATOM 2017 CG1 VAL A 174 26.560 137.571 -22.731 1.00 25.23 C +ATOM 2018 CG2 VAL A 174 25.704 136.224 -20.819 1.00 24.24 C +ATOM 2019 H VAL A 174 27.935 136.368 -19.109 1.00 24.31 H +ATOM 2020 HA VAL A 174 28.078 135.420 -21.767 1.00 25.06 H +ATOM 2021 HB VAL A 174 26.887 138.001 -20.663 1.00 24.91 H +ATOM 2022 HG11 VAL A 174 25.609 138.103 -22.769 1.00 25.23 H +ATOM 2023 HG12 VAL A 174 27.360 138.233 -23.063 1.00 25.23 H +ATOM 2024 HG13 VAL A 174 26.515 136.700 -23.384 1.00 25.23 H +ATOM 2025 HG21 VAL A 174 24.759 136.765 -20.873 1.00 24.24 H +ATOM 2026 HG22 VAL A 174 25.650 135.336 -21.449 1.00 24.24 H +ATOM 2027 HG23 VAL A 174 25.894 135.927 -19.788 1.00 24.24 H +ATOM 2028 N LEU A 175 29.767 138.215 -21.228 1.00 25.83 N +ATOM 2029 CA LEU A 175 30.809 139.069 -21.780 1.00 26.42 C +ATOM 2030 C LEU A 175 32.063 138.263 -22.105 1.00 27.31 C +ATOM 2031 O LEU A 175 32.643 138.409 -23.182 1.00 27.36 O +ATOM 2032 CB LEU A 175 31.161 140.191 -20.796 1.00 25.36 C +ATOM 2033 CG LEU A 175 30.024 141.156 -20.444 1.00 25.58 C +ATOM 2034 CD1 LEU A 175 30.538 142.242 -19.501 1.00 24.36 C +ATOM 2035 CD2 LEU A 175 29.468 141.777 -21.714 1.00 24.47 C +ATOM 2036 H LEU A 175 29.424 138.410 -20.299 1.00 25.83 H +ATOM 2037 HA LEU A 175 30.438 139.519 -22.701 1.00 26.42 H +ATOM 2038 HB3 LEU A 175 32.007 140.758 -21.185 1.00 25.36 H +ATOM 2039 HB2 LEU A 175 31.559 139.754 -19.880 1.00 25.36 H +ATOM 2040 HG LEU A 175 29.230 140.601 -19.945 1.00 25.58 H +ATOM 2041 HD11 LEU A 175 29.725 142.925 -19.254 1.00 24.36 H +ATOM 2042 HD12 LEU A 175 30.914 141.782 -18.587 1.00 24.36 H +ATOM 2043 HD13 LEU A 175 31.342 142.796 -19.986 1.00 24.36 H +ATOM 2044 HD21 LEU A 175 28.660 142.463 -21.460 1.00 24.47 H +ATOM 2045 HD22 LEU A 175 30.259 142.323 -22.229 1.00 24.47 H +ATOM 2046 HD23 LEU A 175 29.086 140.992 -22.366 1.00 24.47 H +ATOM 2047 N VAL A 176 32.482 137.414 -21.172 1.00 27.64 N +ATOM 2048 CA VAL A 176 33.671 136.600 -21.385 1.00 28.57 C +ATOM 2049 C VAL A 176 33.456 135.664 -22.574 1.00 29.50 C +ATOM 2050 O VAL A 176 34.372 135.423 -23.356 1.00 29.25 O +ATOM 2051 CB VAL A 176 34.019 135.794 -20.118 1.00 28.45 C +ATOM 2052 CG1 VAL A 176 35.167 134.841 -20.397 1.00 28.07 C +ATOM 2053 CG2 VAL A 176 34.390 136.753 -18.995 1.00 27.47 C +ATOM 2054 H VAL A 176 31.974 137.327 -20.303 1.00 27.64 H +ATOM 2055 HA VAL A 176 34.506 137.262 -21.613 1.00 28.57 H +ATOM 2056 HB VAL A 176 33.146 135.216 -19.816 1.00 28.45 H +ATOM 2057 HG11 VAL A 176 35.401 134.279 -19.493 1.00 28.07 H +ATOM 2058 HG12 VAL A 176 34.882 134.150 -21.190 1.00 28.07 H +ATOM 2059 HG13 VAL A 176 36.044 135.410 -20.709 1.00 28.07 H +ATOM 2060 HG21 VAL A 176 34.637 136.185 -18.098 1.00 27.47 H +ATOM 2061 HG22 VAL A 176 35.252 137.349 -19.295 1.00 27.47 H +ATOM 2062 HG23 VAL A 176 33.548 137.412 -18.787 1.00 27.47 H +ATOM 2063 N GLU A 177 32.238 135.151 -22.707 1.00 30.13 N +ATOM 2064 CA GLU A 177 31.891 134.273 -23.821 1.00 31.32 C +ATOM 2065 C GLU A 177 31.925 135.046 -25.146 1.00 31.51 C +ATOM 2066 O GLU A 177 32.414 134.541 -26.156 1.00 31.57 O +ATOM 2067 CB GLU A 177 30.492 133.679 -23.612 1.00 31.66 C +ATOM 2068 CG GLU A 177 30.445 132.520 -22.632 1.00 33.88 C +ATOM 2069 CD GLU A 177 29.029 132.061 -22.311 1.00 34.94 C +ATOM 2070 OE1 GLU A 177 28.879 130.965 -21.730 1.00 36.41 O +ATOM 2071 OE2 GLU A 177 28.066 132.793 -22.625 1.00 35.64 O1- +ATOM 2072 H GLU A 177 31.522 135.366 -22.028 1.00 30.13 H +ATOM 2073 HA GLU A 177 32.616 133.460 -23.868 1.00 31.32 H +ATOM 2074 HB3 GLU A 177 30.090 133.357 -24.572 1.00 31.66 H +ATOM 2075 HB2 GLU A 177 29.813 134.463 -23.277 1.00 31.66 H +ATOM 2076 HG3 GLU A 177 30.950 132.806 -21.709 1.00 33.88 H +ATOM 2077 HG2 GLU A 177 31.015 131.683 -23.034 1.00 33.88 H +ATOM 2078 N TRP A 178 31.400 136.269 -25.140 1.00 31.60 N +ATOM 2079 CA TRP A 178 31.379 137.092 -26.346 1.00 31.87 C +ATOM 2080 C TRP A 178 32.788 137.449 -26.782 1.00 32.03 C +ATOM 2081 O TRP A 178 33.109 137.421 -27.967 1.00 31.78 O +ATOM 2082 CB TRP A 178 30.599 138.387 -26.111 1.00 31.52 C +ATOM 2083 CG TRP A 178 29.119 138.225 -26.151 1.00 31.80 C +ATOM 2084 CD1 TRP A 178 28.421 137.110 -26.531 1.00 31.27 C +ATOM 2085 CD2 TRP A 178 28.142 139.225 -25.837 1.00 31.49 C +ATOM 2086 NE1 TRP A 178 27.069 137.358 -26.475 1.00 31.27 N +ATOM 2087 CE2 TRP A 178 26.869 138.647 -26.053 1.00 31.49 C +ATOM 2088 CE3 TRP A 178 28.218 140.553 -25.398 1.00 31.18 C +ATOM 2089 CZ2 TRP A 178 25.679 139.353 -25.843 1.00 31.19 C +ATOM 2090 CZ3 TRP A 178 27.031 141.260 -25.189 1.00 31.65 C +ATOM 2091 CH2 TRP A 178 25.780 140.655 -25.413 1.00 31.47 C +ATOM 2092 H TRP A 178 31.006 136.644 -24.289 1.00 31.60 H +ATOM 2093 HA TRP A 178 30.896 136.530 -27.146 1.00 31.87 H +ATOM 2094 HB3 TRP A 178 30.902 139.130 -26.848 1.00 31.52 H +ATOM 2095 HB2 TRP A 178 30.889 138.814 -25.151 1.00 31.52 H +ATOM 2096 HD1 TRP A 178 28.950 136.213 -26.817 1.00 31.27 H +ATOM 2097 HE1 TRP A 178 26.412 136.634 -26.726 1.00 31.27 H +ATOM 2098 HE3 TRP A 178 29.181 141.012 -25.228 1.00 31.18 H +ATOM 2099 HZ2 TRP A 178 24.728 138.873 -26.018 1.00 31.19 H +ATOM 2100 HZ3 TRP A 178 27.065 142.285 -24.850 1.00 31.65 H +ATOM 2101 HH2 TRP A 178 24.887 141.238 -25.240 1.00 31.47 H +ATOM 2102 N LEU A 179 33.618 137.800 -25.808 1.00 32.22 N +ATOM 2103 CA LEU A 179 34.999 138.176 -26.060 1.00 32.55 C +ATOM 2104 C LEU A 179 35.913 136.977 -26.235 1.00 33.05 C +ATOM 2105 O LEU A 179 36.942 137.073 -26.897 1.00 33.53 O +ATOM 2106 CB LEU A 179 35.527 139.025 -24.902 1.00 32.24 C +ATOM 2107 CG LEU A 179 34.971 140.442 -24.760 1.00 31.98 C +ATOM 2108 CD1 LEU A 179 35.360 141.016 -23.405 1.00 31.61 C +ATOM 2109 CD2 LEU A 179 35.511 141.309 -25.893 1.00 32.47 C +ATOM 2110 H LEU A 179 33.297 137.813 -24.851 1.00 32.22 H +ATOM 2111 HA LEU A 179 35.034 138.773 -26.971 1.00 32.55 H +ATOM 2112 HB3 LEU A 179 36.615 139.071 -24.959 1.00 32.24 H +ATOM 2113 HB2 LEU A 179 35.378 138.486 -23.967 1.00 32.24 H +ATOM 2114 HG LEU A 179 33.884 140.405 -24.830 1.00 31.98 H +ATOM 2115 HD11 LEU A 179 34.961 142.026 -23.310 1.00 31.61 H +ATOM 2116 HD12 LEU A 179 34.952 140.389 -22.613 1.00 31.61 H +ATOM 2117 HD13 LEU A 179 36.446 141.046 -23.321 1.00 31.61 H +ATOM 2118 HD21 LEU A 179 35.118 142.321 -25.796 1.00 32.47 H +ATOM 2119 HD22 LEU A 179 36.599 141.337 -25.842 1.00 32.47 H +ATOM 2120 HD23 LEU A 179 35.202 140.890 -26.850 1.00 32.47 H +ATOM 2121 N ARG A 180 35.540 135.845 -25.649 1.00 33.88 N +ATOM 2122 CA ARG A 180 36.387 134.663 -25.718 1.00 34.76 C +ATOM 2123 C ARG A 180 37.720 135.011 -25.056 1.00 34.79 C +ATOM 2124 O ARG A 180 38.769 134.479 -25.427 1.00 35.45 O +ATOM 2125 CB ARG A 180 36.610 134.254 -27.176 1.00 35.95 C +ATOM 2126 CG ARG A 180 35.642 133.205 -27.663 1.00 37.21 C +ATOM 2127 CD ARG A 180 36.013 131.865 -27.064 1.00 39.40 C +ATOM 2128 NE ARG A 180 34.871 131.207 -26.445 1.00 41.43 N +ATOM 2129 CZ ARG A 180 34.942 130.057 -25.784 1.00 41.76 C +ATOM 2130 NH1 ARG A 180 36.108 129.432 -25.656 1.00 41.66 N +ATOM 2131 NH2 ARG A 180 33.848 129.537 -25.248 1.00 41.72 N1+ +ATOM 2132 H ARG A 180 34.663 135.800 -25.151 1.00 33.88 H +ATOM 2133 HA ARG A 180 35.914 133.844 -25.177 1.00 34.76 H +ATOM 2134 HB3 ARG A 180 37.630 133.889 -27.297 1.00 35.95 H +ATOM 2135 HB2 ARG A 180 36.541 135.135 -27.813 1.00 35.95 H +ATOM 2136 HG3 ARG A 180 35.692 133.143 -28.751 1.00 37.21 H +ATOM 2137 HG2 ARG A 180 34.631 133.473 -27.356 1.00 37.21 H +ATOM 2138 HD3 ARG A 180 36.797 132.005 -26.320 1.00 39.40 H +ATOM 2139 HD2 ARG A 180 36.424 131.221 -27.842 1.00 39.40 H +ATOM 2140 HE ARG A 180 33.984 131.680 -26.542 1.00 41.43 H +ATOM 2141 HH12 ARG A 180 36.160 128.558 -25.153 1.00 41.66 H +ATOM 2142 HH11 ARG A 180 36.942 129.832 -26.061 1.00 41.66 H +ATOM 2143 HH22 ARG A 180 33.899 128.662 -24.745 1.00 41.72 H +ATOM 2144 HH21 ARG A 180 32.963 130.014 -25.342 1.00 41.72 H +ATOM 2145 N ASP A 181 37.663 135.906 -24.069 1.00 34.07 N +ATOM 2146 CA ASP A 181 38.847 136.360 -23.344 1.00 34.00 C +ATOM 2147 C ASP A 181 38.697 136.196 -21.827 1.00 33.91 C +ATOM 2148 O ASP A 181 37.960 136.941 -21.179 1.00 33.94 O +ATOM 2149 CB ASP A 181 39.124 137.825 -23.693 1.00 34.67 C +ATOM 2150 CG ASP A 181 40.163 138.455 -22.797 1.00 35.46 C +ATOM 2151 OD1 ASP A 181 41.062 137.739 -22.315 1.00 36.62 O +ATOM 2152 OD2 ASP A 181 40.088 139.682 -22.585 1.00 37.05 O1- +ATOM 2153 H ASP A 181 36.774 136.300 -23.795 1.00 34.07 H +ATOM 2154 HA ASP A 181 39.699 135.763 -23.670 1.00 34.00 H +ATOM 2155 HB3 ASP A 181 38.197 138.394 -23.628 1.00 34.67 H +ATOM 2156 HB2 ASP A 181 39.451 137.895 -24.731 1.00 34.67 H +ATOM 2157 N PRO A 182 39.409 135.217 -21.243 1.00 33.34 N +ATOM 2158 CA PRO A 182 39.363 134.936 -19.807 1.00 32.58 C +ATOM 2159 C PRO A 182 40.585 135.445 -19.058 1.00 31.89 C +ATOM 2160 O PRO A 182 40.785 135.104 -17.891 1.00 31.27 O +ATOM 2161 CB PRO A 182 39.306 133.423 -19.784 1.00 33.19 C +ATOM 2162 CG PRO A 182 40.342 133.088 -20.833 1.00 33.64 C +ATOM 2163 CD PRO A 182 40.055 134.097 -21.959 1.00 33.62 C +ATOM 2164 HA PRO A 182 38.455 135.353 -19.372 1.00 32.58 H +ATOM 2165 HB3 PRO A 182 38.326 133.098 -20.133 1.00 33.19 H +ATOM 2166 HB2 PRO A 182 39.654 133.068 -18.813 1.00 33.19 H +ATOM 2167 HG3 PRO A 182 40.167 132.077 -21.202 1.00 33.64 H +ATOM 2168 HG2 PRO A 182 41.337 133.273 -20.429 1.00 33.64 H +ATOM 2169 HD2 PRO A 182 40.998 134.439 -22.385 1.00 33.62 H +ATOM 2170 HD3 PRO A 182 39.344 133.660 -22.661 1.00 33.62 H +ATOM 2171 N SER A 183 41.395 136.260 -19.725 1.00 31.06 N +ATOM 2172 CA SER A 183 42.627 136.771 -19.131 1.00 30.95 C +ATOM 2173 C SER A 183 42.496 137.521 -17.806 1.00 30.55 C +ATOM 2174 O SER A 183 43.447 137.570 -17.030 1.00 30.35 O +ATOM 2175 CB SER A 183 43.364 137.649 -20.146 1.00 30.94 C +ATOM 2176 OG SER A 183 42.583 138.768 -20.507 1.00 32.32 O +ATOM 2177 H SER A 183 41.164 136.542 -20.667 1.00 31.06 H +ATOM 2178 HA SER A 183 43.265 135.908 -18.941 1.00 30.95 H +ATOM 2179 HB3 SER A 183 43.591 137.062 -21.036 1.00 30.94 H +ATOM 2180 HB2 SER A 183 44.307 137.987 -19.716 1.00 30.94 H +ATOM 2181 HG SER A 183 41.958 138.516 -21.191 1.00 32.32 H +ATOM 2182 N GLN A 184 41.330 138.100 -17.539 1.00 30.67 N +ATOM 2183 CA GLN A 184 41.121 138.845 -16.297 1.00 30.61 C +ATOM 2184 C GLN A 184 40.380 138.051 -15.219 1.00 29.87 C +ATOM 2185 O GLN A 184 40.362 138.439 -14.053 1.00 29.30 O +ATOM 2186 CB GLN A 184 40.313 140.116 -16.572 1.00 31.57 C +ATOM 2187 CG GLN A 184 41.063 141.251 -17.246 1.00 33.44 C +ATOM 2188 CD GLN A 184 40.140 142.419 -17.569 1.00 34.73 C +ATOM 2189 OE1 GLN A 184 40.222 142.917 -18.796 1.00 35.62 O +ATOM 2190 NE2 GLN A 184 39.362 142.866 -16.724 1.00 35.90 N +ATOM 2191 H GLN A 184 40.569 138.031 -18.200 1.00 30.67 H +ATOM 2192 HA GLN A 184 42.095 139.135 -15.902 1.00 30.61 H +ATOM 2193 HB3 GLN A 184 39.880 140.476 -15.639 1.00 31.57 H +ATOM 2194 HB2 GLN A 184 39.435 139.863 -17.167 1.00 31.57 H +ATOM 2195 HG3 GLN A 184 41.523 140.887 -18.164 1.00 33.44 H +ATOM 2196 HG2 GLN A 184 41.866 141.592 -16.592 1.00 33.44 H +ATOM 2197 HE22 GLN A 184 38.757 143.641 -16.955 1.00 35.90 H +ATOM 2198 HE21 GLN A 184 39.329 142.457 -15.801 1.00 35.90 H +ATOM 2199 N GLU A 185 39.774 136.938 -15.615 1.00 29.39 N +ATOM 2200 CA GLU A 185 38.966 136.135 -14.707 1.00 28.76 C +ATOM 2201 C GLU A 185 39.543 135.614 -13.392 1.00 28.51 C +ATOM 2202 O GLU A 185 39.021 135.940 -12.321 1.00 27.92 O +ATOM 2203 CB GLU A 185 38.345 134.984 -15.493 1.00 29.07 C +ATOM 2204 CG GLU A 185 37.491 135.483 -16.644 1.00 29.41 C +ATOM 2205 CD GLU A 185 36.588 136.630 -16.220 1.00 30.05 C +ATOM 2206 OE1 GLU A 185 35.664 136.398 -15.409 1.00 29.60 O +ATOM 2207 OE2 GLU A 185 36.815 137.767 -16.687 1.00 29.88 O1- +ATOM 2208 H GLU A 185 39.866 136.626 -16.571 1.00 29.39 H +ATOM 2209 HA GLU A 185 38.130 136.774 -14.423 1.00 28.76 H +ATOM 2210 HB3 GLU A 185 37.734 134.377 -14.825 1.00 29.07 H +ATOM 2211 HB2 GLU A 185 39.135 134.342 -15.881 1.00 29.07 H +ATOM 2212 HG3 GLU A 185 36.882 134.664 -17.025 1.00 29.41 H +ATOM 2213 HG2 GLU A 185 38.136 135.812 -17.458 1.00 29.41 H +ATOM 2214 N LEU A 186 40.597 134.809 -13.454 1.00 28.02 N +ATOM 2215 CA LEU A 186 41.167 134.251 -12.237 1.00 28.49 C +ATOM 2216 C LEU A 186 41.606 135.298 -11.221 1.00 28.72 C +ATOM 2217 O LEU A 186 41.466 135.094 -10.015 1.00 28.40 O +ATOM 2218 CB LEU A 186 42.337 133.321 -12.570 1.00 28.18 C +ATOM 2219 CG LEU A 186 41.974 132.074 -13.390 1.00 28.31 C +ATOM 2220 CD1 LEU A 186 43.219 131.200 -13.553 1.00 28.17 C +ATOM 2221 CD2 LEU A 186 40.861 131.291 -12.703 1.00 27.88 C +ATOM 2222 H LEU A 186 41.007 134.582 -14.349 1.00 28.02 H +ATOM 2223 HA LEU A 186 40.394 133.644 -11.765 1.00 28.49 H +ATOM 2224 HB3 LEU A 186 42.827 133.014 -11.646 1.00 28.18 H +ATOM 2225 HB2 LEU A 186 43.108 133.886 -13.094 1.00 28.18 H +ATOM 2226 HG LEU A 186 41.630 132.387 -14.376 1.00 28.31 H +ATOM 2227 HD11 LEU A 186 42.967 130.314 -14.135 1.00 28.17 H +ATOM 2228 HD12 LEU A 186 43.995 131.765 -14.070 1.00 28.17 H +ATOM 2229 HD13 LEU A 186 43.583 130.899 -12.571 1.00 28.17 H +ATOM 2230 HD21 LEU A 186 40.615 130.411 -13.296 1.00 27.88 H +ATOM 2231 HD22 LEU A 186 41.194 130.980 -11.712 1.00 27.88 H +ATOM 2232 HD23 LEU A 186 39.978 131.922 -12.607 1.00 27.88 H +ATOM 2233 N GLU A 187 42.129 136.421 -11.697 1.00 28.89 N +ATOM 2234 CA GLU A 187 42.570 137.470 -10.787 1.00 29.01 C +ATOM 2235 C GLU A 187 41.373 138.201 -10.179 1.00 28.20 C +ATOM 2236 O GLU A 187 41.377 138.542 -8.995 1.00 27.35 O +ATOM 2237 CB GLU A 187 43.463 138.472 -11.519 1.00 30.85 C +ATOM 2238 CG GLU A 187 44.084 139.508 -10.596 1.00 34.13 C +ATOM 2239 CD GLU A 187 44.999 140.483 -11.328 1.00 36.80 C +ATOM 2240 OE1 GLU A 187 45.956 140.025 -11.994 1.00 37.82 O +ATOM 2241 OE2 GLU A 187 44.760 141.708 -11.231 1.00 38.07 O1- +ATOM 2242 H GLU A 187 42.223 136.552 -12.694 1.00 28.89 H +ATOM 2243 HA GLU A 187 43.145 137.014 -9.981 1.00 29.01 H +ATOM 2244 HB3 GLU A 187 42.883 138.977 -12.291 1.00 30.85 H +ATOM 2245 HB2 GLU A 187 44.253 137.936 -12.045 1.00 30.85 H +ATOM 2246 HG3 GLU A 187 44.647 139.003 -9.811 1.00 34.13 H +ATOM 2247 HG2 GLU A 187 43.294 140.064 -10.091 1.00 34.13 H +ATOM 2248 N PHE A 188 40.352 138.449 -10.994 1.00 27.22 N +ATOM 2249 CA PHE A 188 39.165 139.138 -10.508 1.00 26.93 C +ATOM 2250 C PHE A 188 38.444 138.299 -9.461 1.00 26.05 C +ATOM 2251 O PHE A 188 38.052 138.807 -8.413 1.00 25.17 O +ATOM 2252 CB PHE A 188 38.196 139.443 -11.651 1.00 26.95 C +ATOM 2253 CG PHE A 188 36.853 139.907 -11.174 1.00 27.84 C +ATOM 2254 CD1 PHE A 188 36.707 141.157 -10.576 1.00 27.27 C +ATOM 2255 CD2 PHE A 188 35.746 139.060 -11.245 1.00 27.55 C +ATOM 2256 CE1 PHE A 188 35.481 141.554 -10.052 1.00 28.22 C +ATOM 2257 CE2 PHE A 188 34.513 139.448 -10.723 1.00 27.36 C +ATOM 2258 CZ PHE A 188 34.378 140.694 -10.125 1.00 27.35 C +ATOM 2259 H PHE A 188 40.395 138.158 -11.960 1.00 27.22 H +ATOM 2260 HA PHE A 188 39.471 140.079 -10.051 1.00 26.93 H +ATOM 2261 HB3 PHE A 188 38.074 138.554 -12.269 1.00 26.95 H +ATOM 2262 HB2 PHE A 188 38.631 140.202 -12.302 1.00 26.95 H +ATOM 2263 HD1 PHE A 188 37.550 141.829 -10.517 1.00 27.27 H +ATOM 2264 HD2 PHE A 188 35.838 138.089 -11.710 1.00 27.55 H +ATOM 2265 HE1 PHE A 188 35.380 142.524 -9.589 1.00 28.22 H +ATOM 2266 HE2 PHE A 188 33.666 138.781 -10.784 1.00 27.36 H +ATOM 2267 HZ PHE A 188 33.426 141.000 -9.717 1.00 27.35 H +ATOM 2268 N ILE A 189 38.269 137.014 -9.751 1.00 25.87 N +ATOM 2269 CA ILE A 189 37.591 136.112 -8.826 1.00 25.69 C +ATOM 2270 C ILE A 189 38.378 136.036 -7.517 1.00 26.38 C +ATOM 2271 O ILE A 189 37.796 136.073 -6.427 1.00 26.18 O +ATOM 2272 CB ILE A 189 37.455 134.699 -9.438 1.00 25.25 C +ATOM 2273 CG1 ILE A 189 36.704 134.790 -10.770 1.00 24.41 C +ATOM 2274 CG2 ILE A 189 36.724 133.767 -8.469 1.00 24.28 C +ATOM 2275 CD1 ILE A 189 36.625 133.475 -11.528 1.00 24.23 C +ATOM 2276 H ILE A 189 38.608 136.644 -10.628 1.00 25.87 H +ATOM 2277 HA ILE A 189 36.595 136.504 -8.618 1.00 25.69 H +ATOM 2278 HB ILE A 189 38.452 134.300 -9.624 1.00 25.25 H +ATOM 2279 HG13 ILE A 189 37.177 135.543 -11.401 1.00 24.41 H +ATOM 2280 HG12 ILE A 189 35.696 135.166 -10.592 1.00 24.41 H +ATOM 2281 HG21 ILE A 189 36.636 132.776 -8.914 1.00 24.28 H +ATOM 2282 HG22 ILE A 189 37.285 133.698 -7.537 1.00 24.28 H +ATOM 2283 HG23 ILE A 189 35.729 134.163 -8.265 1.00 24.28 H +ATOM 2284 HD11 ILE A 189 36.078 133.624 -12.459 1.00 24.23 H +ATOM 2285 HD12 ILE A 189 37.632 133.123 -11.751 1.00 24.23 H +ATOM 2286 HD13 ILE A 189 36.108 132.734 -10.918 1.00 24.23 H +ATOM 2287 N ALA A 190 39.702 135.945 -7.628 1.00 26.24 N +ATOM 2288 CA ALA A 190 40.557 135.875 -6.450 1.00 26.40 C +ATOM 2289 C ALA A 190 40.319 137.071 -5.524 1.00 26.39 C +ATOM 2290 O ALA A 190 40.352 136.933 -4.299 1.00 26.62 O +ATOM 2291 CB ALA A 190 42.025 135.818 -6.868 1.00 26.07 C +ATOM 2292 H ALA A 190 40.132 135.923 -8.542 1.00 26.24 H +ATOM 2293 HA ALA A 190 40.318 134.963 -5.904 1.00 26.40 H +ATOM 2294 HB1 ALA A 190 42.654 135.766 -5.980 1.00 26.07 H +ATOM 2295 HB2 ALA A 190 42.194 134.935 -7.484 1.00 26.07 H +ATOM 2296 HB3 ALA A 190 42.276 136.712 -7.439 1.00 26.07 H +ATOM 2297 N ASP A 191 40.076 138.243 -6.103 1.00 26.41 N +ATOM 2298 CA ASP A 191 39.833 139.433 -5.294 1.00 26.79 C +ATOM 2299 C ASP A 191 38.492 139.322 -4.569 1.00 26.59 C +ATOM 2300 O ASP A 191 38.378 139.672 -3.391 1.00 26.06 O +ATOM 2301 CB ASP A 191 39.844 140.695 -6.158 1.00 27.74 C +ATOM 2302 CG ASP A 191 39.645 141.957 -5.333 1.00 29.77 C +ATOM 2303 OD1 ASP A 191 40.503 142.235 -4.469 1.00 30.87 O +ATOM 2304 OD2 ASP A 191 38.631 142.663 -5.536 1.00 30.16 O1- +ATOM 2305 H ASP A 191 40.059 138.314 -7.111 1.00 26.41 H +ATOM 2306 HA ASP A 191 40.625 139.514 -4.549 1.00 26.79 H +ATOM 2307 HB3 ASP A 191 39.058 140.626 -6.910 1.00 27.74 H +ATOM 2308 HB2 ASP A 191 40.790 140.758 -6.695 1.00 27.74 H +ATOM 2309 N ILE A 192 37.478 138.838 -5.277 1.00 26.03 N +ATOM 2310 CA ILE A 192 36.159 138.667 -4.683 1.00 25.90 C +ATOM 2311 C ILE A 192 36.270 137.670 -3.533 1.00 26.09 C +ATOM 2312 O ILE A 192 35.760 137.910 -2.438 1.00 25.79 O +ATOM 2313 CB ILE A 192 35.142 138.140 -5.724 1.00 25.74 C +ATOM 2314 CG1 ILE A 192 34.867 139.224 -6.770 1.00 25.49 C +ATOM 2315 CG2 ILE A 192 33.851 137.710 -5.034 1.00 24.96 C +ATOM 2316 CD1 ILE A 192 34.324 140.528 -6.186 1.00 25.74 C +ATOM 2317 H ILE A 192 37.615 138.580 -6.244 1.00 26.03 H +ATOM 2318 HA ILE A 192 35.813 139.625 -4.296 1.00 25.90 H +ATOM 2319 HB ILE A 192 35.574 137.274 -6.226 1.00 25.74 H +ATOM 2320 HG13 ILE A 192 34.166 138.841 -7.512 1.00 25.49 H +ATOM 2321 HG12 ILE A 192 35.782 139.431 -7.326 1.00 25.49 H +ATOM 2322 HG21 ILE A 192 33.145 137.342 -5.779 1.00 24.96 H +ATOM 2323 HG22 ILE A 192 34.068 136.918 -4.317 1.00 24.96 H +ATOM 2324 HG23 ILE A 192 33.416 138.562 -4.512 1.00 24.96 H +ATOM 2325 HD11 ILE A 192 34.155 141.244 -6.989 1.00 25.74 H +ATOM 2326 HD12 ILE A 192 33.384 140.332 -5.671 1.00 25.74 H +ATOM 2327 HD13 ILE A 192 35.046 140.938 -5.479 1.00 25.74 H +ATOM 2328 N LEU A 193 36.959 136.561 -3.784 1.00 26.55 N +ATOM 2329 CA LEU A 193 37.142 135.525 -2.778 1.00 26.57 C +ATOM 2330 C LEU A 193 38.001 136.003 -1.611 1.00 27.48 C +ATOM 2331 O LEU A 193 37.900 135.484 -0.498 1.00 27.12 O +ATOM 2332 CB LEU A 193 37.765 134.280 -3.417 1.00 26.23 C +ATOM 2333 CG LEU A 193 36.844 133.530 -4.384 1.00 25.86 C +ATOM 2334 CD1 LEU A 193 37.594 132.372 -5.027 1.00 25.33 C +ATOM 2335 CD2 LEU A 193 35.619 133.024 -3.623 1.00 24.88 C +ATOM 2336 H LEU A 193 37.373 136.419 -4.694 1.00 26.55 H +ATOM 2337 HA LEU A 193 36.161 135.252 -2.388 1.00 26.57 H +ATOM 2338 HB3 LEU A 193 38.097 133.600 -2.632 1.00 26.23 H +ATOM 2339 HB2 LEU A 193 38.681 134.562 -3.936 1.00 26.23 H +ATOM 2340 HG LEU A 193 36.517 134.216 -5.165 1.00 25.86 H +ATOM 2341 HD11 LEU A 193 36.931 131.845 -5.712 1.00 25.33 H +ATOM 2342 HD12 LEU A 193 38.453 132.756 -5.576 1.00 25.33 H +ATOM 2343 HD13 LEU A 193 37.936 131.685 -4.252 1.00 25.33 H +ATOM 2344 HD21 LEU A 193 34.961 132.489 -4.308 1.00 24.88 H +ATOM 2345 HD22 LEU A 193 35.937 132.352 -2.826 1.00 24.88 H +ATOM 2346 HD23 LEU A 193 35.084 133.870 -3.192 1.00 24.88 H +ATOM 2347 N ASN A 194 38.851 136.992 -1.867 1.00 28.18 N +ATOM 2348 CA ASN A 194 39.695 137.529 -0.810 1.00 28.54 C +ATOM 2349 C ASN A 194 38.798 138.277 0.181 1.00 28.24 C +ATOM 2350 O ASN A 194 39.154 138.456 1.346 1.00 27.84 O +ATOM 2351 CB ASN A 194 40.750 138.474 -1.392 1.00 29.21 C +ATOM 2352 CG ASN A 194 41.770 138.913 -0.360 1.00 31.37 C +ATOM 2353 OD1 ASN A 194 41.809 140.212 -0.084 1.00 31.39 O +ATOM 2354 ND2 ASN A 194 42.514 138.092 0.190 1.00 31.60 N +ATOM 2355 H ASN A 194 38.914 137.375 -2.800 1.00 28.18 H +ATOM 2356 HA ASN A 194 40.193 136.708 -0.295 1.00 28.54 H +ATOM 2357 HB3 ASN A 194 40.258 139.352 -1.810 1.00 29.21 H +ATOM 2358 HB2 ASN A 194 41.260 137.982 -2.220 1.00 29.21 H +ATOM 2359 HD22 ASN A 194 43.188 138.402 0.875 1.00 31.60 H +ATOM 2360 HD21 ASN A 194 42.448 137.112 -0.047 1.00 31.60 H +ATOM 2361 N GLN A 195 37.627 138.699 -0.286 1.00 27.71 N +ATOM 2362 CA GLN A 195 36.676 139.407 0.568 1.00 28.10 C +ATOM 2363 C GLN A 195 35.672 138.448 1.214 1.00 27.63 C +ATOM 2364 O GLN A 195 35.196 138.694 2.322 1.00 27.90 O +ATOM 2365 CB GLN A 195 35.935 140.471 -0.241 1.00 28.57 C +ATOM 2366 CG GLN A 195 36.850 141.559 -0.773 1.00 30.40 C +ATOM 2367 CD GLN A 195 36.175 142.431 -1.802 1.00 31.20 C +ATOM 2368 OE1 GLN A 195 35.172 143.082 -1.515 1.00 32.35 O +ATOM 2369 NE2 GLN A 195 36.718 142.446 -3.012 1.00 31.87 N +ATOM 2370 H GLN A 195 37.378 138.531 -1.250 1.00 27.71 H +ATOM 2371 HA GLN A 195 37.233 139.906 1.361 1.00 28.10 H +ATOM 2372 HB3 GLN A 195 35.159 140.921 0.378 1.00 28.57 H +ATOM 2373 HB2 GLN A 195 35.416 139.996 -1.073 1.00 28.57 H +ATOM 2374 HG3 GLN A 195 37.738 141.104 -1.210 1.00 30.40 H +ATOM 2375 HG2 GLN A 195 37.197 142.178 0.055 1.00 30.40 H +ATOM 2376 HE22 GLN A 195 36.309 143.012 -3.742 1.00 31.87 H +ATOM 2377 HE21 GLN A 195 37.540 141.891 -3.203 1.00 31.87 H +ATOM 2378 N ASP A 196 35.352 137.362 0.512 1.00 26.54 N +ATOM 2379 CA ASP A 196 34.424 136.335 1.004 1.00 25.77 C +ATOM 2380 C ASP A 196 34.882 135.034 0.352 1.00 24.83 C +ATOM 2381 O ASP A 196 34.538 134.745 -0.797 1.00 24.07 O +ATOM 2382 CB ASP A 196 32.982 136.664 0.595 1.00 26.16 C +ATOM 2383 CG ASP A 196 31.981 135.602 1.039 1.00 27.34 C +ATOM 2384 OD1 ASP A 196 30.771 135.797 0.799 1.00 29.17 O +ATOM 2385 OD2 ASP A 196 32.388 134.573 1.621 1.00 27.42 O1- +ATOM 2386 H ASP A 196 35.753 137.217 -0.403 1.00 26.54 H +ATOM 2387 HA ASP A 196 34.496 136.255 2.089 1.00 25.77 H +ATOM 2388 HB3 ASP A 196 32.930 136.781 -0.487 1.00 26.16 H +ATOM 2389 HB2 ASP A 196 32.697 137.629 1.016 1.00 26.16 H +ATOM 2390 N ALA A 197 35.666 134.261 1.095 1.00 23.73 N +ATOM 2391 CA ALA A 197 36.240 133.018 0.587 1.00 23.66 C +ATOM 2392 C ALA A 197 35.256 131.908 0.236 1.00 23.40 C +ATOM 2393 O ALA A 197 35.651 130.869 -0.299 1.00 22.76 O +ATOM 2394 CB ALA A 197 37.272 132.496 1.581 1.00 22.91 C +ATOM 2395 H ALA A 197 35.882 134.526 2.046 1.00 23.73 H +ATOM 2396 HA ALA A 197 36.778 133.268 -0.328 1.00 23.66 H +ATOM 2397 HB1 ALA A 197 37.703 131.569 1.205 1.00 22.91 H +ATOM 2398 HB2 ALA A 197 38.061 133.237 1.709 1.00 22.91 H +ATOM 2399 HB3 ALA A 197 36.790 132.310 2.541 1.00 22.91 H +ATOM 2400 N LYS A 198 33.977 132.127 0.513 1.00 23.44 N +ATOM 2401 CA LYS A 198 32.982 131.102 0.248 1.00 23.17 C +ATOM 2402 C LYS A 198 31.884 131.539 -0.717 1.00 23.34 C +ATOM 2403 O LYS A 198 30.907 130.814 -0.916 1.00 23.02 O +ATOM 2404 CB LYS A 198 32.375 130.641 1.580 1.00 22.57 C +ATOM 2405 CG LYS A 198 33.426 130.150 2.585 1.00 22.86 C +ATOM 2406 CD LYS A 198 32.795 129.640 3.879 1.00 23.02 C +ATOM 2407 CE LYS A 198 33.848 129.096 4.841 1.00 23.34 C +ATOM 2408 NZ LYS A 198 33.261 128.514 6.095 1.00 23.53 N1+ +ATOM 2409 H LYS A 198 33.690 133.011 0.910 1.00 23.44 H +ATOM 2410 HA LYS A 198 33.494 130.249 -0.197 1.00 23.17 H +ATOM 2411 HB3 LYS A 198 31.653 129.846 1.393 1.00 22.57 H +ATOM 2412 HB2 LYS A 198 31.807 131.460 2.022 1.00 22.57 H +ATOM 2413 HG3 LYS A 198 34.116 130.963 2.814 1.00 22.86 H +ATOM 2414 HG2 LYS A 198 34.017 129.355 2.131 1.00 22.86 H +ATOM 2415 HD3 LYS A 198 32.076 128.854 3.647 1.00 23.02 H +ATOM 2416 HD2 LYS A 198 32.248 130.451 4.361 1.00 23.02 H +ATOM 2417 HE3 LYS A 198 34.545 129.892 5.103 1.00 23.34 H +ATOM 2418 HE2 LYS A 198 34.443 128.336 4.334 1.00 23.34 H +ATOM 2419 HZ1 LYS A 198 32.898 127.592 5.901 1.00 23.53 H +ATOM 2420 HZ2 LYS A 198 33.977 128.451 6.805 1.00 23.53 H +ATOM 2421 HZ3 LYS A 198 32.513 129.107 6.424 1.00 23.53 H +ATOM 2422 N ASN A 199 32.044 132.716 -1.320 1.00 22.90 N +ATOM 2423 CA ASN A 199 31.046 133.212 -2.264 1.00 22.88 C +ATOM 2424 C ASN A 199 30.754 132.124 -3.299 1.00 22.59 C +ATOM 2425 O ASN A 199 31.598 131.795 -4.140 1.00 22.18 O +ATOM 2426 CB ASN A 199 31.548 134.479 -2.960 1.00 23.60 C +ATOM 2427 CG ASN A 199 30.511 135.084 -3.877 1.00 23.46 C +ATOM 2428 OD1 ASN A 199 30.100 134.466 -4.856 1.00 24.02 O +ATOM 2429 ND2 ASN A 199 30.074 136.295 -3.562 1.00 23.71 N +ATOM 2430 H ASN A 199 32.862 133.275 -1.126 1.00 22.90 H +ATOM 2431 HA ASN A 199 30.129 133.443 -1.723 1.00 22.88 H +ATOM 2432 HB3 ASN A 199 32.447 134.247 -3.531 1.00 23.60 H +ATOM 2433 HB2 ASN A 199 31.840 135.213 -2.209 1.00 23.60 H +ATOM 2434 HD22 ASN A 199 29.381 136.749 -4.139 1.00 23.71 H +ATOM 2435 HD21 ASN A 199 30.435 136.765 -2.743 1.00 23.71 H +ATOM 2436 N TYR A 200 29.547 131.569 -3.223 1.00 21.88 N +ATOM 2437 CA TYR A 200 29.127 130.492 -4.111 1.00 20.74 C +ATOM 2438 C TYR A 200 29.226 130.830 -5.595 1.00 20.61 C +ATOM 2439 O TYR A 200 29.736 130.032 -6.375 1.00 19.94 O +ATOM 2440 CB TYR A 200 27.687 130.072 -3.785 1.00 19.59 C +ATOM 2441 CG TYR A 200 27.357 128.667 -4.226 1.00 19.02 C +ATOM 2442 CD1 TYR A 200 27.474 127.593 -3.340 1.00 18.70 C +ATOM 2443 CD2 TYR A 200 26.960 128.399 -5.539 1.00 17.63 C +ATOM 2444 CE1 TYR A 200 27.202 126.285 -3.750 1.00 17.88 C +ATOM 2445 CE2 TYR A 200 26.689 127.098 -5.960 1.00 17.97 C +ATOM 2446 CZ TYR A 200 26.813 126.044 -5.059 1.00 17.67 C +ATOM 2447 OH TYR A 200 26.565 124.755 -5.474 1.00 18.62 O +ATOM 2448 H TYR A 200 28.885 131.892 -2.532 1.00 21.88 H +ATOM 2449 HA TYR A 200 29.773 129.635 -3.922 1.00 20.74 H +ATOM 2450 HB3 TYR A 200 26.992 130.770 -4.252 1.00 19.59 H +ATOM 2451 HB2 TYR A 200 27.517 130.164 -2.713 1.00 19.59 H +ATOM 2452 HD1 TYR A 200 27.779 127.766 -2.319 1.00 18.70 H +ATOM 2453 HD2 TYR A 200 26.858 129.208 -6.247 1.00 17.63 H +ATOM 2454 HE1 TYR A 200 27.295 125.469 -3.048 1.00 17.88 H +ATOM 2455 HE2 TYR A 200 26.385 126.913 -6.980 1.00 17.97 H +ATOM 2456 HH TYR A 200 26.877 124.139 -4.808 1.00 18.62 H +ATOM 2457 N HIS A 201 28.730 132.006 -5.980 1.00 20.65 N +ATOM 2458 CA HIS A 201 28.752 132.432 -7.382 1.00 21.21 C +ATOM 2459 C HIS A 201 30.177 132.620 -7.884 1.00 21.34 C +ATOM 2460 O HIS A 201 30.483 132.317 -9.043 1.00 21.17 O +ATOM 2461 CB HIS A 201 27.976 133.744 -7.555 1.00 21.68 C +ATOM 2462 CG HIS A 201 26.575 133.690 -7.029 1.00 22.68 C +ATOM 2463 ND1 HIS A 201 25.538 133.113 -7.729 1.00 22.17 N +ATOM 2464 CD2 HIS A 201 26.052 134.102 -5.849 1.00 22.54 C +ATOM 2465 CE1 HIS A 201 24.435 133.172 -7.003 1.00 22.66 C +ATOM 2466 NE2 HIS A 201 24.721 133.766 -5.858 1.00 23.07 N +ATOM 2467 H HIS A 201 28.325 132.631 -5.298 1.00 20.65 H +ATOM 2468 HA HIS A 201 28.271 131.662 -7.985 1.00 21.21 H +ATOM 2469 HB3 HIS A 201 27.956 134.016 -8.610 1.00 21.68 H +ATOM 2470 HB2 HIS A 201 28.517 134.552 -7.061 1.00 21.68 H +ATOM 2471 HD2 HIS A 201 26.681 134.594 -5.122 1.00 22.54 H +ATOM 2472 HE1 HIS A 201 23.512 132.767 -7.390 1.00 22.66 H +ATOM 2473 HE2 HIS A 201 24.140 133.985 -5.061 1.00 23.07 H +ATOM 2474 N ALA A 202 31.042 133.129 -7.011 1.00 21.25 N +ATOM 2475 CA ALA A 202 32.434 133.348 -7.370 1.00 21.67 C +ATOM 2476 C ALA A 202 33.079 132.007 -7.716 1.00 21.81 C +ATOM 2477 O ALA A 202 33.712 131.860 -8.762 1.00 22.08 O +ATOM 2478 CB ALA A 202 33.180 134.017 -6.209 1.00 21.72 C +ATOM 2479 H ALA A 202 30.736 133.371 -6.080 1.00 21.25 H +ATOM 2480 HA ALA A 202 32.478 133.999 -8.242 1.00 21.67 H +ATOM 2481 HB1 ALA A 202 34.221 134.175 -6.489 1.00 21.72 H +ATOM 2482 HB2 ALA A 202 32.715 134.976 -5.983 1.00 21.72 H +ATOM 2483 HB3 ALA A 202 33.135 133.375 -5.329 1.00 21.72 H +ATOM 2484 N TRP A 203 32.905 131.023 -6.841 1.00 21.89 N +ATOM 2485 CA TRP A 203 33.483 129.711 -7.086 1.00 22.16 C +ATOM 2486 C TRP A 203 32.904 129.044 -8.329 1.00 22.36 C +ATOM 2487 O TRP A 203 33.630 128.369 -9.065 1.00 22.31 O +ATOM 2488 CB TRP A 203 33.288 128.801 -5.869 1.00 22.67 C +ATOM 2489 CG TRP A 203 34.283 129.057 -4.787 1.00 23.41 C +ATOM 2490 CD1 TRP A 203 34.037 129.583 -3.550 1.00 23.54 C +ATOM 2491 CD2 TRP A 203 35.695 128.815 -4.849 1.00 23.38 C +ATOM 2492 NE1 TRP A 203 35.210 129.685 -2.839 1.00 23.68 N +ATOM 2493 CE2 TRP A 203 36.242 129.221 -3.611 1.00 23.40 C +ATOM 2494 CE3 TRP A 203 36.551 128.296 -5.834 1.00 22.55 C +ATOM 2495 CZ2 TRP A 203 37.611 129.124 -3.328 1.00 23.25 C +ATOM 2496 CZ3 TRP A 203 37.911 128.198 -5.553 1.00 23.13 C +ATOM 2497 CH2 TRP A 203 38.427 128.612 -4.307 1.00 23.48 C +ATOM 2498 H TRP A 203 32.369 131.184 -6.001 1.00 21.89 H +ATOM 2499 HA TRP A 203 34.554 129.839 -7.241 1.00 22.16 H +ATOM 2500 HB3 TRP A 203 33.353 127.759 -6.182 1.00 22.67 H +ATOM 2501 HB2 TRP A 203 32.281 128.935 -5.474 1.00 22.67 H +ATOM 2502 HD1 TRP A 203 33.029 129.849 -3.267 1.00 23.54 H +ATOM 2503 HE1 TRP A 203 35.201 130.058 -1.900 1.00 23.68 H +ATOM 2504 HE3 TRP A 203 36.151 127.982 -6.786 1.00 22.55 H +ATOM 2505 HZ2 TRP A 203 37.988 129.445 -2.369 1.00 23.25 H +ATOM 2506 HZ3 TRP A 203 38.588 127.802 -6.295 1.00 23.13 H +ATOM 2507 HH2 TRP A 203 39.488 128.518 -4.131 1.00 23.48 H +ATOM 2508 N GLN A 204 31.606 129.237 -8.570 1.00 22.04 N +ATOM 2509 CA GLN A 204 30.953 128.634 -9.730 1.00 22.02 C +ATOM 2510 C GLN A 204 31.500 129.227 -11.022 1.00 22.58 C +ATOM 2511 O GLN A 204 31.772 128.510 -11.989 1.00 22.17 O +ATOM 2512 CB GLN A 204 29.445 128.854 -9.669 1.00 22.24 C +ATOM 2513 CG GLN A 204 28.661 128.083 -10.725 1.00 22.62 C +ATOM 2514 CD GLN A 204 27.163 128.169 -10.503 1.00 23.12 C +ATOM 2515 OE1 GLN A 204 26.679 127.966 -9.388 1.00 24.52 O +ATOM 2516 NE2 GLN A 204 26.420 128.459 -11.562 1.00 21.80 N +ATOM 2517 H GLN A 204 31.056 129.810 -7.946 1.00 22.04 H +ATOM 2518 HA GLN A 204 31.151 127.562 -9.725 1.00 22.02 H +ATOM 2519 HB3 GLN A 204 29.231 129.919 -9.766 1.00 22.24 H +ATOM 2520 HB2 GLN A 204 29.080 128.583 -8.679 1.00 22.24 H +ATOM 2521 HG3 GLN A 204 28.969 127.038 -10.714 1.00 22.62 H +ATOM 2522 HG2 GLN A 204 28.904 128.473 -11.714 1.00 22.62 H +ATOM 2523 HE22 GLN A 204 25.417 128.529 -11.470 1.00 21.80 H +ATOM 2524 HE21 GLN A 204 26.857 128.610 -12.460 1.00 21.80 H +ATOM 2525 N HIS A 205 31.650 130.546 -11.033 1.00 22.46 N +ATOM 2526 CA HIS A 205 32.175 131.233 -12.196 1.00 22.88 C +ATOM 2527 C HIS A 205 33.611 130.762 -12.433 1.00 23.15 C +ATOM 2528 O HIS A 205 34.045 130.594 -13.573 1.00 22.93 O +ATOM 2529 CB HIS A 205 32.164 132.742 -11.964 1.00 22.79 C +ATOM 2530 CG HIS A 205 32.540 133.539 -13.173 1.00 23.33 C +ATOM 2531 ND1 HIS A 205 33.692 134.168 -13.502 1.00 23.48 N +ATOM 2532 CD2 HIS A 205 31.678 133.736 -14.231 1.00 23.00 C +ATOM 2533 CE1 HIS A 205 33.507 134.729 -14.743 1.00 23.92 C +ATOM 2534 NE2 HIS A 205 32.284 134.455 -15.160 1.00 23.34 N +ATOM 2535 H HIS A 205 31.397 131.089 -10.220 1.00 22.46 H +ATOM 2536 HA HIS A 205 31.565 130.993 -13.067 1.00 22.88 H +ATOM 2537 HB3 HIS A 205 32.840 132.987 -11.145 1.00 22.79 H +ATOM 2538 HB2 HIS A 205 31.175 133.048 -11.622 1.00 22.79 H +ATOM 2539 HD2 HIS A 205 30.746 133.347 -14.202 1.00 23.00 H +ATOM 2540 HE1 HIS A 205 34.255 135.250 -15.178 1.00 23.92 H +ATOM 2541 HE2 HIS A 205 31.762 134.713 -16.069 1.00 23.34 H +ATOM 2542 N ARG A 206 34.336 130.541 -11.342 1.00 23.27 N +ATOM 2543 CA ARG A 206 35.719 130.107 -11.425 1.00 23.45 C +ATOM 2544 C ARG A 206 35.827 128.729 -12.075 1.00 23.84 C +ATOM 2545 O ARG A 206 36.692 128.514 -12.933 1.00 23.41 O +ATOM 2546 CB ARG A 206 36.361 130.105 -10.029 1.00 23.72 C +ATOM 2547 CG ARG A 206 37.894 130.123 -10.055 1.00 23.80 C +ATOM 2548 CD ARG A 206 38.513 130.179 -8.654 1.00 24.06 C +ATOM 2549 NE ARG A 206 39.973 130.158 -8.723 1.00 23.79 N +ATOM 2550 CZ ARG A 206 40.746 131.231 -8.877 1.00 24.37 C +ATOM 2551 NH1 ARG A 206 40.214 132.445 -8.967 1.00 23.73 N +ATOM 2552 NH2 ARG A 206 42.061 131.086 -8.978 1.00 23.72 N1+ +ATOM 2553 H ARG A 206 33.927 130.673 -10.428 1.00 23.27 H +ATOM 2554 HA ARG A 206 36.261 130.820 -12.047 1.00 23.45 H +ATOM 2555 HB3 ARG A 206 36.019 129.230 -9.476 1.00 23.72 H +ATOM 2556 HB2 ARG A 206 35.999 130.963 -9.463 1.00 23.72 H +ATOM 2557 HG3 ARG A 206 38.236 130.979 -10.637 1.00 23.80 H +ATOM 2558 HG2 ARG A 206 38.258 129.237 -10.577 1.00 23.80 H +ATOM 2559 HD3 ARG A 206 38.165 129.328 -8.069 1.00 24.06 H +ATOM 2560 HD2 ARG A 206 38.187 131.089 -8.150 1.00 24.06 H +ATOM 2561 HE ARG A 206 40.391 129.242 -8.644 1.00 23.79 H +ATOM 2562 HH12 ARG A 206 40.812 133.251 -9.083 1.00 23.73 H +ATOM 2563 HH11 ARG A 206 39.212 132.562 -8.918 1.00 23.73 H +ATOM 2564 HH22 ARG A 206 42.651 131.897 -9.095 1.00 23.72 H +ATOM 2565 HH21 ARG A 206 42.472 130.164 -8.938 1.00 23.72 H +ATOM 2566 N GLN A 207 34.948 127.801 -11.686 1.00 23.48 N +ATOM 2567 CA GLN A 207 34.976 126.464 -12.272 1.00 23.65 C +ATOM 2568 C GLN A 207 34.630 126.528 -13.755 1.00 23.94 C +ATOM 2569 O GLN A 207 35.210 125.803 -14.571 1.00 23.63 O +ATOM 2570 CB GLN A 207 34.001 125.514 -11.557 1.00 22.86 C +ATOM 2571 CG GLN A 207 34.360 125.242 -10.103 1.00 21.95 C +ATOM 2572 CD GLN A 207 33.624 124.050 -9.524 1.00 20.71 C +ATOM 2573 OE1 GLN A 207 32.573 123.650 -10.027 1.00 20.73 O +ATOM 2574 NE2 GLN A 207 34.166 123.486 -8.449 1.00 19.31 N +ATOM 2575 H GLN A 207 34.258 128.023 -10.983 1.00 23.48 H +ATOM 2576 HA GLN A 207 35.985 126.063 -12.170 1.00 23.65 H +ATOM 2577 HB3 GLN A 207 33.952 124.571 -12.100 1.00 22.86 H +ATOM 2578 HB2 GLN A 207 32.993 125.925 -11.609 1.00 22.86 H +ATOM 2579 HG3 GLN A 207 34.144 126.127 -9.505 1.00 21.95 H +ATOM 2580 HG2 GLN A 207 35.435 125.079 -10.020 1.00 21.95 H +ATOM 2581 HE22 GLN A 207 33.721 122.689 -8.018 1.00 19.31 H +ATOM 2582 HE21 GLN A 207 35.023 123.856 -8.062 1.00 19.31 H +ATOM 2583 N TRP A 208 33.687 127.398 -14.104 1.00 23.90 N +ATOM 2584 CA TRP A 208 33.296 127.535 -15.498 1.00 23.93 C +ATOM 2585 C TRP A 208 34.451 128.053 -16.350 1.00 24.49 C +ATOM 2586 O TRP A 208 34.735 127.503 -17.414 1.00 24.84 O +ATOM 2587 CB TRP A 208 32.109 128.488 -15.652 1.00 22.47 C +ATOM 2588 CG TRP A 208 31.838 128.790 -17.090 1.00 22.06 C +ATOM 2589 CD1 TRP A 208 31.346 127.926 -18.031 1.00 22.41 C +ATOM 2590 CD2 TRP A 208 32.160 129.996 -17.784 1.00 21.91 C +ATOM 2591 NE1 TRP A 208 31.352 128.519 -19.268 1.00 22.21 N +ATOM 2592 CE2 TRP A 208 31.849 129.791 -19.146 1.00 22.31 C +ATOM 2593 CE3 TRP A 208 32.689 131.230 -17.390 1.00 22.87 C +ATOM 2594 CZ2 TRP A 208 32.050 130.778 -20.121 1.00 22.60 C +ATOM 2595 CZ3 TRP A 208 32.889 132.215 -18.362 1.00 22.95 C +ATOM 2596 CH2 TRP A 208 32.569 131.978 -19.711 1.00 22.00 C +ATOM 2597 H TRP A 208 33.239 127.966 -13.399 1.00 23.90 H +ATOM 2598 HA TRP A 208 33.002 126.555 -15.872 1.00 23.93 H +ATOM 2599 HB3 TRP A 208 32.317 129.416 -15.119 1.00 22.47 H +ATOM 2600 HB2 TRP A 208 31.223 128.040 -15.202 1.00 22.47 H +ATOM 2601 HD1 TRP A 208 31.024 126.937 -17.740 1.00 22.41 H +ATOM 2602 HE1 TRP A 208 31.021 128.008 -20.074 1.00 22.21 H +ATOM 2603 HE3 TRP A 208 32.934 131.407 -16.354 1.00 22.87 H +ATOM 2604 HZ2 TRP A 208 31.798 130.578 -21.152 1.00 22.60 H +ATOM 2605 HZ3 TRP A 208 33.295 133.175 -18.083 1.00 22.95 H +ATOM 2606 HH2 TRP A 208 32.740 132.766 -20.430 1.00 22.00 H +ATOM 2607 N VAL A 209 35.106 129.116 -15.894 1.00 25.13 N +ATOM 2608 CA VAL A 209 36.217 129.688 -16.649 1.00 26.31 C +ATOM 2609 C VAL A 209 37.347 128.676 -16.825 1.00 26.75 C +ATOM 2610 O VAL A 209 37.832 128.460 -17.935 1.00 26.70 O +ATOM 2611 CB VAL A 209 36.801 130.943 -15.955 1.00 26.67 C +ATOM 2612 CG1 VAL A 209 37.968 131.488 -16.770 1.00 27.60 C +ATOM 2613 CG2 VAL A 209 35.727 132.011 -15.811 1.00 27.61 C +ATOM 2614 H VAL A 209 34.837 129.537 -15.017 1.00 25.13 H +ATOM 2615 HA VAL A 209 35.853 129.976 -17.635 1.00 26.31 H +ATOM 2616 HB VAL A 209 37.160 130.665 -14.964 1.00 26.67 H +ATOM 2617 HG11 VAL A 209 38.375 132.371 -16.277 1.00 27.60 H +ATOM 2618 HG12 VAL A 209 38.744 130.727 -16.849 1.00 27.60 H +ATOM 2619 HG13 VAL A 209 37.621 131.757 -17.767 1.00 27.60 H +ATOM 2620 HG21 VAL A 209 36.150 132.889 -15.322 1.00 27.61 H +ATOM 2621 HG22 VAL A 209 35.356 132.289 -16.798 1.00 27.61 H +ATOM 2622 HG23 VAL A 209 34.905 131.622 -15.211 1.00 27.61 H +ATOM 2623 N ILE A 210 37.760 128.061 -15.723 1.00 27.46 N +ATOM 2624 CA ILE A 210 38.842 127.086 -15.750 1.00 28.28 C +ATOM 2625 C ILE A 210 38.545 125.954 -16.714 1.00 28.98 C +ATOM 2626 O ILE A 210 39.392 125.572 -17.513 1.00 28.42 O +ATOM 2627 CB ILE A 210 39.089 126.498 -14.350 1.00 28.20 C +ATOM 2628 CG1 ILE A 210 39.688 127.574 -13.445 1.00 28.50 C +ATOM 2629 CG2 ILE A 210 40.004 125.268 -14.440 1.00 28.34 C +ATOM 2630 CD1 ILE A 210 39.905 127.119 -12.003 1.00 28.78 C +ATOM 2631 H ILE A 210 37.322 128.265 -14.837 1.00 27.46 H +ATOM 2632 HA ILE A 210 39.752 127.589 -16.079 1.00 28.28 H +ATOM 2633 HB ILE A 210 38.132 126.187 -13.931 1.00 28.20 H +ATOM 2634 HG13 ILE A 210 39.043 128.453 -13.453 1.00 28.50 H +ATOM 2635 HG12 ILE A 210 40.636 127.912 -13.864 1.00 28.50 H +ATOM 2636 HG21 ILE A 210 40.169 124.864 -13.441 1.00 28.34 H +ATOM 2637 HG22 ILE A 210 39.534 124.510 -15.065 1.00 28.34 H +ATOM 2638 HG23 ILE A 210 40.960 125.558 -14.876 1.00 28.34 H +ATOM 2639 HD11 ILE A 210 40.332 127.937 -11.424 1.00 28.78 H +ATOM 2640 HD12 ILE A 210 38.950 126.825 -11.567 1.00 28.78 H +ATOM 2641 HD13 ILE A 210 40.587 126.269 -11.989 1.00 28.78 H +ATOM 2642 N GLN A 211 37.330 125.427 -16.641 1.00 30.01 N +ATOM 2643 CA GLN A 211 36.934 124.325 -17.500 1.00 31.33 C +ATOM 2644 C GLN A 211 36.745 124.743 -18.956 1.00 31.20 C +ATOM 2645 O GLN A 211 37.205 124.056 -19.872 1.00 30.56 O +ATOM 2646 CB GLN A 211 35.649 123.686 -16.959 1.00 32.81 C +ATOM 2647 CG GLN A 211 35.207 122.454 -17.723 1.00 36.47 C +ATOM 2648 CD GLN A 211 34.538 121.418 -16.830 1.00 39.00 C +ATOM 2649 OE1 GLN A 211 33.494 121.679 -16.217 1.00 39.96 O +ATOM 2650 NE2 GLN A 211 35.143 120.233 -16.748 1.00 39.37 N +ATOM 2651 H GLN A 211 36.661 125.792 -15.978 1.00 30.01 H +ATOM 2652 HA GLN A 211 37.723 123.574 -17.466 1.00 31.33 H +ATOM 2653 HB3 GLN A 211 34.847 124.424 -16.968 1.00 32.81 H +ATOM 2654 HB2 GLN A 211 35.787 123.430 -15.909 1.00 32.81 H +ATOM 2655 HG3 GLN A 211 36.069 122.005 -18.216 1.00 36.47 H +ATOM 2656 HG2 GLN A 211 34.519 122.747 -18.516 1.00 36.47 H +ATOM 2657 HE22 GLN A 211 34.749 119.503 -16.172 1.00 39.37 H +ATOM 2658 HE21 GLN A 211 35.996 120.065 -17.263 1.00 39.37 H +ATOM 2659 N GLU A 212 36.081 125.873 -19.172 1.00 31.02 N +ATOM 2660 CA GLU A 212 35.831 126.350 -20.525 1.00 31.18 C +ATOM 2661 C GLU A 212 37.091 126.782 -21.275 1.00 31.24 C +ATOM 2662 O GLU A 212 37.192 126.578 -22.483 1.00 31.20 O +ATOM 2663 CB GLU A 212 34.834 127.513 -20.499 1.00 31.41 C +ATOM 2664 CG GLU A 212 34.530 128.095 -21.870 1.00 32.19 C +ATOM 2665 CD GLU A 212 33.808 127.117 -22.781 1.00 33.06 C +ATOM 2666 OE1 GLU A 212 33.727 127.389 -23.996 1.00 34.12 O +ATOM 2667 OE2 GLU A 212 33.310 126.082 -22.291 1.00 33.88 O1- +ATOM 2668 H GLU A 212 35.740 126.416 -18.391 1.00 31.02 H +ATOM 2669 HA GLU A 212 35.374 125.535 -21.085 1.00 31.18 H +ATOM 2670 HB3 GLU A 212 35.214 128.301 -19.848 1.00 31.41 H +ATOM 2671 HB2 GLU A 212 33.906 127.183 -20.032 1.00 31.41 H +ATOM 2672 HG3 GLU A 212 35.459 128.412 -22.343 1.00 32.19 H +ATOM 2673 HG2 GLU A 212 33.927 128.996 -21.756 1.00 32.19 H +ATOM 2674 N PHE A 213 38.047 127.378 -20.570 1.00 31.20 N +ATOM 2675 CA PHE A 213 39.273 127.841 -21.214 1.00 31.26 C +ATOM 2676 C PHE A 213 40.510 127.035 -20.830 1.00 31.59 C +ATOM 2677 O PHE A 213 41.639 127.432 -21.133 1.00 31.25 O +ATOM 2678 CB PHE A 213 39.498 129.326 -20.910 1.00 31.25 C +ATOM 2679 CG PHE A 213 38.393 130.215 -21.408 1.00 31.68 C +ATOM 2680 CD1 PHE A 213 37.265 130.448 -20.631 1.00 31.75 C +ATOM 2681 CD2 PHE A 213 38.457 130.778 -22.682 1.00 32.00 C +ATOM 2682 CE1 PHE A 213 36.207 131.231 -21.112 1.00 31.70 C +ATOM 2683 CE2 PHE A 213 37.409 131.561 -23.176 1.00 32.54 C +ATOM 2684 CZ PHE A 213 36.279 131.786 -22.386 1.00 32.34 C +ATOM 2685 H PHE A 213 37.930 127.516 -19.576 1.00 31.20 H +ATOM 2686 HA PHE A 213 39.137 127.742 -22.291 1.00 31.26 H +ATOM 2687 HB3 PHE A 213 40.444 129.645 -21.346 1.00 31.25 H +ATOM 2688 HB2 PHE A 213 39.614 129.461 -19.834 1.00 31.25 H +ATOM 2689 HD1 PHE A 213 37.195 130.024 -19.640 1.00 31.75 H +ATOM 2690 HD2 PHE A 213 39.325 130.612 -23.303 1.00 32.00 H +ATOM 2691 HE1 PHE A 213 35.337 131.402 -20.495 1.00 31.70 H +ATOM 2692 HE2 PHE A 213 37.474 131.989 -24.165 1.00 32.54 H +ATOM 2693 HZ PHE A 213 35.464 132.389 -22.759 1.00 32.34 H +ATOM 2694 N LYS A 214 40.286 125.904 -20.166 1.00 31.50 N +ATOM 2695 CA LYS A 214 41.361 125.007 -19.748 1.00 31.70 C +ATOM 2696 C LYS A 214 42.475 125.691 -18.971 1.00 31.22 C +ATOM 2697 O LYS A 214 43.641 125.601 -19.349 1.00 31.51 O +ATOM 2698 CB LYS A 214 41.959 124.310 -20.974 1.00 33.02 C +ATOM 2699 CG LYS A 214 40.906 123.732 -21.906 1.00 35.09 C +ATOM 2700 CD LYS A 214 41.528 123.033 -23.099 1.00 37.21 C +ATOM 2701 CE LYS A 214 40.451 122.595 -24.083 1.00 38.68 C +ATOM 2702 NZ LYS A 214 39.398 121.778 -23.404 1.00 39.17 N1+ +ATOM 2703 H LYS A 214 39.341 125.635 -19.931 1.00 31.50 H +ATOM 2704 HA LYS A 214 40.927 124.241 -19.106 1.00 31.70 H +ATOM 2705 HB3 LYS A 214 42.629 123.514 -20.647 1.00 33.02 H +ATOM 2706 HB2 LYS A 214 42.582 125.016 -21.524 1.00 33.02 H +ATOM 2707 HG3 LYS A 214 40.252 124.531 -22.254 1.00 35.09 H +ATOM 2708 HG2 LYS A 214 40.283 123.026 -21.356 1.00 35.09 H +ATOM 2709 HD3 LYS A 214 42.085 122.160 -22.759 1.00 37.21 H +ATOM 2710 HD2 LYS A 214 42.220 123.712 -23.598 1.00 37.21 H +ATOM 2711 HE3 LYS A 214 40.906 122.009 -24.882 1.00 38.68 H +ATOM 2712 HE2 LYS A 214 39.993 123.475 -24.535 1.00 38.68 H +ATOM 2713 HZ1 LYS A 214 38.974 122.322 -22.666 1.00 39.17 H +ATOM 2714 HZ2 LYS A 214 38.691 121.514 -24.076 1.00 39.17 H +ATOM 2715 HZ3 LYS A 214 39.817 120.947 -23.011 1.00 39.17 H +ATOM 2716 N LEU A 215 42.122 126.366 -17.884 1.00 30.36 N +ATOM 2717 CA LEU A 215 43.111 127.052 -17.057 1.00 30.00 C +ATOM 2718 C LEU A 215 43.321 126.289 -15.747 1.00 30.13 C +ATOM 2719 O LEU A 215 43.075 126.823 -14.665 1.00 29.61 O +ATOM 2720 CB LEU A 215 42.639 128.480 -16.769 1.00 29.25 C +ATOM 2721 CG LEU A 215 42.363 129.340 -18.008 1.00 29.62 C +ATOM 2722 CD1 LEU A 215 41.797 130.686 -17.593 1.00 28.64 C +ATOM 2723 CD2 LEU A 215 43.653 129.517 -18.807 1.00 28.59 C +ATOM 2724 H LEU A 215 41.150 126.413 -17.612 1.00 30.36 H +ATOM 2725 HA LEU A 215 44.056 127.094 -17.598 1.00 30.00 H +ATOM 2726 HB3 LEU A 215 43.373 128.982 -16.138 1.00 29.25 H +ATOM 2727 HB2 LEU A 215 41.744 128.445 -16.148 1.00 29.25 H +ATOM 2728 HG LEU A 215 41.631 128.829 -18.633 1.00 29.62 H +ATOM 2729 HD11 LEU A 215 41.605 131.289 -18.481 1.00 28.64 H +ATOM 2730 HD12 LEU A 215 40.866 130.537 -17.047 1.00 28.64 H +ATOM 2731 HD13 LEU A 215 42.514 131.201 -16.953 1.00 28.64 H +ATOM 2732 HD21 LEU A 215 43.455 130.129 -19.687 1.00 28.59 H +ATOM 2733 HD22 LEU A 215 44.402 130.008 -18.185 1.00 28.59 H +ATOM 2734 HD23 LEU A 215 44.024 128.541 -19.119 1.00 28.59 H +ATOM 2735 N TRP A 216 43.789 125.046 -15.851 1.00 30.13 N +ATOM 2736 CA TRP A 216 44.000 124.192 -14.681 1.00 30.77 C +ATOM 2737 C TRP A 216 45.362 124.307 -14.011 1.00 31.72 C +ATOM 2738 O TRP A 216 45.503 124.023 -12.818 1.00 32.08 O +ATOM 2739 CB TRP A 216 43.818 122.720 -15.057 1.00 30.10 C +ATOM 2740 CG TRP A 216 42.555 122.394 -15.780 1.00 29.71 C +ATOM 2741 CD1 TRP A 216 42.379 122.317 -17.132 1.00 28.96 C +ATOM 2742 CD2 TRP A 216 41.285 122.095 -15.189 1.00 29.08 C +ATOM 2743 NE1 TRP A 216 41.078 121.985 -17.421 1.00 29.06 N +ATOM 2744 CE2 TRP A 216 40.383 121.845 -16.248 1.00 29.06 C +ATOM 2745 CE3 TRP A 216 40.820 122.014 -13.868 1.00 28.69 C +ATOM 2746 CZ2 TRP A 216 39.038 121.519 -16.028 1.00 28.60 C +ATOM 2747 CZ3 TRP A 216 39.481 121.691 -13.648 1.00 28.02 C +ATOM 2748 CH2 TRP A 216 38.607 121.448 -14.726 1.00 28.84 C +ATOM 2749 H TRP A 216 44.011 124.665 -16.760 1.00 30.13 H +ATOM 2750 HA TRP A 216 43.240 124.445 -13.942 1.00 30.77 H +ATOM 2751 HB3 TRP A 216 43.887 122.108 -14.158 1.00 30.10 H +ATOM 2752 HB2 TRP A 216 44.669 122.393 -15.654 1.00 30.10 H +ATOM 2753 HD1 TRP A 216 43.209 122.507 -17.796 1.00 28.96 H +ATOM 2754 HE1 TRP A 216 40.784 121.886 -18.382 1.00 29.06 H +ATOM 2755 HE3 TRP A 216 41.495 122.200 -13.046 1.00 28.69 H +ATOM 2756 HZ2 TRP A 216 38.383 121.334 -16.866 1.00 28.60 H +ATOM 2757 HZ3 TRP A 216 39.100 121.625 -12.639 1.00 28.02 H +ATOM 2758 HH2 TRP A 216 37.578 121.202 -14.510 1.00 28.84 H +ATOM 2759 N ASP A 217 46.361 124.709 -14.786 1.00 32.46 N +ATOM 2760 CA ASP A 217 47.738 124.796 -14.321 1.00 32.59 C +ATOM 2761 C ASP A 217 48.060 125.293 -12.916 1.00 31.81 C +ATOM 2762 O ASP A 217 48.881 124.688 -12.234 1.00 31.71 O +ATOM 2763 CB ASP A 217 48.563 125.580 -15.346 1.00 34.62 C +ATOM 2764 CG ASP A 217 48.695 124.840 -16.672 1.00 36.15 C +ATOM 2765 OD1 ASP A 217 49.334 125.384 -17.596 1.00 37.74 O +ATOM 2766 OD2 ASP A 217 48.163 123.713 -16.795 1.00 36.80 O1- +ATOM 2767 H ASP A 217 46.182 124.972 -15.745 1.00 32.46 H +ATOM 2768 HA ASP A 217 48.121 123.776 -14.361 1.00 32.59 H +ATOM 2769 HB3 ASP A 217 49.555 125.775 -14.939 1.00 34.62 H +ATOM 2770 HB2 ASP A 217 48.100 126.551 -15.517 1.00 34.62 H +ATOM 2771 N ASN A 218 47.432 126.369 -12.463 1.00 30.68 N +ATOM 2772 CA ASN A 218 47.761 126.884 -11.138 1.00 29.99 C +ATOM 2773 C ASN A 218 46.672 126.784 -10.076 1.00 29.59 C +ATOM 2774 O ASN A 218 46.854 127.274 -8.960 1.00 29.14 O +ATOM 2775 CB ASN A 218 48.204 128.347 -11.252 1.00 30.81 C +ATOM 2776 CG ASN A 218 49.365 128.535 -12.220 1.00 31.64 C +ATOM 2777 OD1 ASN A 218 49.138 129.313 -13.271 1.00 31.48 O +ATOM 2778 ND2 ASN A 218 50.448 127.984 -12.024 1.00 32.02 N +ATOM 2779 H ASN A 218 46.734 126.824 -13.033 1.00 30.68 H +ATOM 2780 HA ASN A 218 48.617 126.315 -10.776 1.00 29.99 H +ATOM 2781 HB3 ASN A 218 48.490 128.716 -10.267 1.00 30.81 H +ATOM 2782 HB2 ASN A 218 47.360 128.957 -11.575 1.00 30.81 H +ATOM 2783 HD22 ASN A 218 51.208 128.119 -12.676 1.00 32.02 H +ATOM 2784 HD21 ASN A 218 50.577 127.397 -11.212 1.00 32.02 H +ATOM 2785 N GLU A 219 45.557 126.135 -10.393 1.00 29.15 N +ATOM 2786 CA GLU A 219 44.472 126.058 -9.423 1.00 28.74 C +ATOM 2787 C GLU A 219 44.755 125.232 -8.163 1.00 28.83 C +ATOM 2788 O GLU A 219 44.284 125.586 -7.083 1.00 28.19 O +ATOM 2789 CB GLU A 219 43.186 125.572 -10.099 1.00 28.19 C +ATOM 2790 CG GLU A 219 41.938 125.752 -9.236 1.00 27.60 C +ATOM 2791 CD GLU A 219 41.588 127.217 -8.967 1.00 27.52 C +ATOM 2792 OE1 GLU A 219 42.398 128.116 -9.293 1.00 27.18 O +ATOM 2793 OE2 GLU A 219 40.494 127.468 -8.420 1.00 25.98 O1- +ATOM 2794 H GLU A 219 45.466 125.701 -11.301 1.00 29.15 H +ATOM 2795 HA GLU A 219 44.281 127.078 -9.089 1.00 28.74 H +ATOM 2796 HB3 GLU A 219 43.293 124.520 -10.365 1.00 28.19 H +ATOM 2797 HB2 GLU A 219 43.052 126.099 -11.043 1.00 28.19 H +ATOM 2798 HG3 GLU A 219 42.076 125.233 -8.287 1.00 27.60 H +ATOM 2799 HG2 GLU A 219 41.092 125.260 -9.716 1.00 27.60 H +ATOM 2800 N LEU A 220 45.519 124.147 -8.279 1.00 29.29 N +ATOM 2801 CA LEU A 220 45.817 123.335 -7.100 1.00 29.95 C +ATOM 2802 C LEU A 220 46.663 124.143 -6.111 1.00 30.32 C +ATOM 2803 O LEU A 220 46.531 123.990 -4.894 1.00 30.70 O +ATOM 2804 CB LEU A 220 46.539 122.039 -7.488 1.00 29.75 C +ATOM 2805 CG LEU A 220 46.771 121.032 -6.353 1.00 30.11 C +ATOM 2806 CD1 LEU A 220 45.456 120.713 -5.638 1.00 29.78 C +ATOM 2807 CD2 LEU A 220 47.370 119.756 -6.930 1.00 29.65 C +ATOM 2808 H LEU A 220 45.892 123.885 -9.181 1.00 29.29 H +ATOM 2809 HA LEU A 220 44.877 123.073 -6.615 1.00 29.95 H +ATOM 2810 HB3 LEU A 220 47.494 122.285 -7.952 1.00 29.75 H +ATOM 2811 HB2 LEU A 220 45.993 121.552 -8.296 1.00 29.75 H +ATOM 2812 HG LEU A 220 47.471 121.460 -5.636 1.00 30.11 H +ATOM 2813 HD11 LEU A 220 45.641 119.997 -4.837 1.00 29.78 H +ATOM 2814 HD12 LEU A 220 45.040 121.629 -5.217 1.00 29.78 H +ATOM 2815 HD13 LEU A 220 44.749 120.287 -6.349 1.00 29.78 H +ATOM 2816 HD21 LEU A 220 47.537 119.037 -6.128 1.00 29.65 H +ATOM 2817 HD22 LEU A 220 46.684 119.330 -7.662 1.00 29.65 H +ATOM 2818 HD23 LEU A 220 48.319 119.986 -7.414 1.00 29.65 H +ATOM 2819 N GLN A 221 47.525 125.010 -6.637 1.00 30.62 N +ATOM 2820 CA GLN A 221 48.359 125.862 -5.787 1.00 31.18 C +ATOM 2821 C GLN A 221 47.453 126.882 -5.107 1.00 30.03 C +ATOM 2822 O GLN A 221 47.646 127.214 -3.940 1.00 29.78 O +ATOM 2823 CB GLN A 221 49.403 126.615 -6.616 1.00 32.64 C +ATOM 2824 CG GLN A 221 50.331 125.735 -7.420 1.00 36.03 C +ATOM 2825 CD GLN A 221 51.082 126.521 -8.485 1.00 38.29 C +ATOM 2826 OE1 GLN A 221 50.918 126.116 -9.747 1.00 39.08 O +ATOM 2827 NE2 GLN A 221 51.797 127.488 -8.178 1.00 37.68 N +ATOM 2828 H GLN A 221 47.613 125.090 -7.640 1.00 30.62 H +ATOM 2829 HA GLN A 221 48.858 125.253 -5.033 1.00 31.18 H +ATOM 2830 HB3 GLN A 221 49.992 127.255 -5.959 1.00 32.64 H +ATOM 2831 HB2 GLN A 221 48.898 127.313 -7.284 1.00 32.64 H +ATOM 2832 HG3 GLN A 221 49.756 124.940 -7.894 1.00 36.03 H +ATOM 2833 HG2 GLN A 221 51.046 125.256 -6.751 1.00 36.03 H +ATOM 2834 HE22 GLN A 221 52.289 128.000 -8.896 1.00 37.68 H +ATOM 2835 HE21 GLN A 221 51.887 127.762 -7.210 1.00 37.68 H +ATOM 2836 N TYR A 222 46.472 127.388 -5.854 1.00 29.17 N +ATOM 2837 CA TYR A 222 45.532 128.364 -5.310 1.00 28.56 C +ATOM 2838 C TYR A 222 44.726 127.702 -4.194 1.00 28.45 C +ATOM 2839 O TYR A 222 44.466 128.308 -3.155 1.00 28.24 O +ATOM 2840 CB TYR A 222 44.586 128.867 -6.398 1.00 27.95 C +ATOM 2841 CG TYR A 222 43.648 129.950 -5.914 1.00 28.07 C +ATOM 2842 CD1 TYR A 222 44.141 131.175 -5.465 1.00 28.00 C +ATOM 2843 CD2 TYR A 222 42.268 129.748 -5.896 1.00 27.55 C +ATOM 2844 CE1 TYR A 222 43.282 132.173 -5.008 1.00 28.28 C +ATOM 2845 CE2 TYR A 222 41.402 130.737 -5.444 1.00 27.26 C +ATOM 2846 CZ TYR A 222 41.914 131.945 -5.001 1.00 27.79 C +ATOM 2847 OH TYR A 222 41.065 132.918 -4.544 1.00 27.28 O +ATOM 2848 H TYR A 222 46.368 127.098 -6.815 1.00 29.17 H +ATOM 2849 HA TYR A 222 46.088 129.207 -4.899 1.00 28.56 H +ATOM 2850 HB3 TYR A 222 44.004 128.032 -6.787 1.00 27.95 H +ATOM 2851 HB2 TYR A 222 45.169 129.243 -7.239 1.00 27.95 H +ATOM 2852 HD1 TYR A 222 45.205 131.363 -5.468 1.00 28.00 H +ATOM 2853 HD2 TYR A 222 41.855 128.810 -6.237 1.00 27.55 H +ATOM 2854 HE1 TYR A 222 43.683 133.115 -4.664 1.00 28.28 H +ATOM 2855 HE2 TYR A 222 40.336 130.562 -5.440 1.00 27.26 H +ATOM 2856 HH TYR A 222 41.575 133.630 -4.151 1.00 27.28 H +ATOM 2857 N VAL A 223 44.338 126.450 -4.426 1.00 28.02 N +ATOM 2858 CA VAL A 223 43.588 125.676 -3.448 1.00 27.90 C +ATOM 2859 C VAL A 223 44.411 125.501 -2.170 1.00 28.28 C +ATOM 2860 O VAL A 223 43.913 125.743 -1.068 1.00 28.02 O +ATOM 2861 CB VAL A 223 43.202 124.280 -4.021 1.00 27.36 C +ATOM 2862 CG1 VAL A 223 42.715 123.367 -2.916 1.00 26.46 C +ATOM 2863 CG2 VAL A 223 42.106 124.435 -5.070 1.00 26.78 C +ATOM 2864 H VAL A 223 44.563 126.007 -5.305 1.00 28.02 H +ATOM 2865 HA VAL A 223 42.674 126.217 -3.202 1.00 27.90 H +ATOM 2866 HB VAL A 223 44.080 123.834 -4.488 1.00 27.36 H +ATOM 2867 HG11 VAL A 223 42.450 122.397 -3.336 1.00 26.46 H +ATOM 2868 HG12 VAL A 223 43.505 123.239 -2.175 1.00 26.46 H +ATOM 2869 HG13 VAL A 223 41.839 123.807 -2.439 1.00 26.46 H +ATOM 2870 HG21 VAL A 223 41.841 123.455 -5.466 1.00 26.78 H +ATOM 2871 HG22 VAL A 223 41.228 124.892 -4.614 1.00 26.78 H +ATOM 2872 HG23 VAL A 223 42.465 125.069 -5.880 1.00 26.78 H +ATOM 2873 N ASP A 224 45.670 125.088 -2.315 1.00 29.16 N +ATOM 2874 CA ASP A 224 46.537 124.891 -1.154 1.00 29.27 C +ATOM 2875 C ASP A 224 46.714 126.172 -0.346 1.00 29.27 C +ATOM 2876 O ASP A 224 46.785 126.135 0.882 1.00 29.37 O +ATOM 2877 CB ASP A 224 47.916 124.382 -1.577 1.00 30.01 C +ATOM 2878 CG ASP A 224 47.872 122.982 -2.131 1.00 31.21 C +ATOM 2879 OD1 ASP A 224 47.102 122.154 -1.603 1.00 31.72 O +ATOM 2880 OD2 ASP A 224 48.621 122.701 -3.086 1.00 32.04 O1- +ATOM 2881 H ASP A 224 46.038 124.906 -3.238 1.00 29.16 H +ATOM 2882 HA ASP A 224 46.079 124.141 -0.509 1.00 29.27 H +ATOM 2883 HB3 ASP A 224 48.591 124.412 -0.721 1.00 30.01 H +ATOM 2884 HB2 ASP A 224 48.337 125.055 -2.324 1.00 30.01 H +ATOM 2885 N GLN A 225 46.790 127.307 -1.031 1.00 28.91 N +ATOM 2886 CA GLN A 225 46.961 128.568 -0.330 1.00 29.33 C +ATOM 2887 C GLN A 225 45.747 128.888 0.528 1.00 28.46 C +ATOM 2888 O GLN A 225 45.886 129.274 1.686 1.00 28.19 O +ATOM 2889 CB GLN A 225 47.210 129.710 -1.317 1.00 30.80 C +ATOM 2890 CG GLN A 225 47.441 131.056 -0.638 1.00 33.16 C +ATOM 2891 CD GLN A 225 48.419 130.964 0.532 1.00 35.32 C +ATOM 2892 OE1 GLN A 225 49.518 130.411 0.401 1.00 37.27 O +ATOM 2893 NE2 GLN A 225 48.026 131.516 1.681 1.00 35.38 N +ATOM 2894 H GLN A 225 46.729 127.294 -2.039 1.00 28.91 H +ATOM 2895 HA GLN A 225 47.830 128.482 0.323 1.00 29.33 H +ATOM 2896 HB3 GLN A 225 46.364 129.789 -2.000 1.00 30.80 H +ATOM 2897 HB2 GLN A 225 48.070 129.467 -1.942 1.00 30.80 H +ATOM 2898 HG3 GLN A 225 46.489 131.452 -0.284 1.00 33.16 H +ATOM 2899 HG2 GLN A 225 47.818 131.771 -1.370 1.00 33.16 H +ATOM 2900 HE22 GLN A 225 48.632 131.485 2.489 1.00 35.38 H +ATOM 2901 HE21 GLN A 225 47.123 131.963 1.744 1.00 35.38 H +ATOM 2902 N LEU A 226 44.554 128.728 -0.039 1.00 27.86 N +ATOM 2903 CA LEU A 226 43.339 129.014 0.710 1.00 27.24 C +ATOM 2904 C LEU A 226 43.112 128.021 1.855 1.00 27.11 C +ATOM 2905 O LEU A 226 42.552 128.385 2.885 1.00 27.02 O +ATOM 2906 CB LEU A 226 42.125 129.053 -0.226 1.00 27.13 C +ATOM 2907 CG LEU A 226 42.128 130.158 -1.296 1.00 28.12 C +ATOM 2908 CD1 LEU A 226 40.718 130.314 -1.867 1.00 27.65 C +ATOM 2909 CD2 LEU A 226 42.580 131.491 -0.692 1.00 27.70 C +ATOM 2910 H LEU A 226 44.488 128.406 -0.994 1.00 27.86 H +ATOM 2911 HA LEU A 226 43.448 130.005 1.150 1.00 27.24 H +ATOM 2912 HB3 LEU A 226 41.215 129.131 0.369 1.00 27.13 H +ATOM 2913 HB2 LEU A 226 42.014 128.083 -0.711 1.00 27.13 H +ATOM 2914 HG LEU A 226 42.811 129.878 -2.099 1.00 28.12 H +ATOM 2915 HD11 LEU A 226 40.717 131.097 -2.625 1.00 27.65 H +ATOM 2916 HD12 LEU A 226 40.401 129.373 -2.316 1.00 27.65 H +ATOM 2917 HD13 LEU A 226 40.030 130.584 -1.066 1.00 27.65 H +ATOM 2918 HD21 LEU A 226 42.576 132.261 -1.464 1.00 27.70 H +ATOM 2919 HD22 LEU A 226 41.898 131.777 0.109 1.00 27.70 H +ATOM 2920 HD23 LEU A 226 43.588 131.386 -0.290 1.00 27.70 H +ATOM 2921 N LEU A 227 43.547 126.775 1.689 1.00 26.93 N +ATOM 2922 CA LEU A 227 43.384 125.796 2.758 1.00 27.46 C +ATOM 2923 C LEU A 227 44.299 126.160 3.926 1.00 28.22 C +ATOM 2924 O LEU A 227 43.993 125.869 5.081 1.00 28.03 O +ATOM 2925 CB LEU A 227 43.702 124.384 2.262 1.00 27.25 C +ATOM 2926 CG LEU A 227 42.587 123.713 1.457 1.00 27.70 C +ATOM 2927 CD1 LEU A 227 43.047 122.352 0.974 1.00 28.00 C +ATOM 2928 CD2 LEU A 227 41.340 123.582 2.325 1.00 27.85 C +ATOM 2929 H LEU A 227 43.991 126.506 0.822 1.00 26.93 H +ATOM 2930 HA LEU A 227 42.350 125.821 3.102 1.00 27.46 H +ATOM 2931 HB3 LEU A 227 43.962 123.754 3.113 1.00 27.25 H +ATOM 2932 HB2 LEU A 227 44.613 124.409 1.665 1.00 27.25 H +ATOM 2933 HG LEU A 227 42.352 124.334 0.593 1.00 27.70 H +ATOM 2934 HD11 LEU A 227 42.249 121.880 0.402 1.00 28.00 H +ATOM 2935 HD12 LEU A 227 43.927 122.468 0.342 1.00 28.00 H +ATOM 2936 HD13 LEU A 227 43.297 121.727 1.832 1.00 28.00 H +ATOM 2937 HD21 LEU A 227 40.546 123.104 1.751 1.00 27.85 H +ATOM 2938 HD22 LEU A 227 41.569 122.976 3.202 1.00 27.85 H +ATOM 2939 HD23 LEU A 227 41.013 124.572 2.643 1.00 27.85 H +ATOM 2940 N LYS A 228 45.423 126.799 3.615 1.00 29.00 N +ATOM 2941 CA LYS A 228 46.362 127.229 4.641 1.00 29.75 C +ATOM 2942 C LYS A 228 45.705 128.359 5.415 1.00 29.24 C +ATOM 2943 O LYS A 228 45.819 128.441 6.633 1.00 29.32 O +ATOM 2944 CB LYS A 228 47.659 127.726 4.002 1.00 31.80 C +ATOM 2945 CG LYS A 228 48.649 128.352 4.984 1.00 35.25 C +ATOM 2946 CD LYS A 228 49.136 127.341 6.023 1.00 38.06 C +ATOM 2947 CE LYS A 228 50.258 127.917 6.889 1.00 39.46 C +ATOM 2948 NZ LYS A 228 51.449 128.319 6.071 1.00 40.38 N1+ +ATOM 2949 H LYS A 228 45.641 126.998 2.649 1.00 29.00 H +ATOM 2950 HA LYS A 228 46.578 126.398 5.313 1.00 29.75 H +ATOM 2951 HB3 LYS A 228 47.423 128.447 3.219 1.00 31.80 H +ATOM 2952 HB2 LYS A 228 48.143 126.902 3.478 1.00 31.80 H +ATOM 2953 HG3 LYS A 228 48.175 129.193 5.491 1.00 35.25 H +ATOM 2954 HG2 LYS A 228 49.503 128.748 4.435 1.00 35.25 H +ATOM 2955 HD3 LYS A 228 49.492 126.444 5.517 1.00 38.06 H +ATOM 2956 HD2 LYS A 228 48.302 127.045 6.660 1.00 38.06 H +ATOM 2957 HE3 LYS A 228 50.560 127.177 7.630 1.00 39.46 H +ATOM 2958 HE2 LYS A 228 49.885 128.782 7.437 1.00 39.46 H +ATOM 2959 HZ1 LYS A 228 51.176 129.023 5.401 1.00 40.38 H +ATOM 2960 HZ2 LYS A 228 52.164 128.693 6.679 1.00 40.38 H +ATOM 2961 HZ3 LYS A 228 51.811 127.512 5.583 1.00 40.38 H +ATOM 2962 N GLU A 229 45.012 129.233 4.695 1.00 28.55 N +ATOM 2963 CA GLU A 229 44.327 130.356 5.312 1.00 28.82 C +ATOM 2964 C GLU A 229 43.158 129.897 6.193 1.00 27.98 C +ATOM 2965 O GLU A 229 42.974 130.399 7.299 1.00 27.48 O +ATOM 2966 CB GLU A 229 43.859 131.333 4.226 1.00 30.09 C +ATOM 2967 CG GLU A 229 44.991 132.208 3.699 1.00 31.40 C +ATOM 2968 CD GLU A 229 44.623 132.983 2.453 1.00 33.00 C +ATOM 2969 OE1 GLU A 229 43.429 133.303 2.267 1.00 32.97 O +ATOM 2970 OE2 GLU A 229 45.540 133.292 1.659 1.00 34.35 O1- +ATOM 2971 H GLU A 229 44.952 129.125 3.692 1.00 28.55 H +ATOM 2972 HA GLU A 229 45.042 130.878 5.948 1.00 28.82 H +ATOM 2973 HB3 GLU A 229 43.068 131.967 4.626 1.00 30.09 H +ATOM 2974 HB2 GLU A 229 43.418 130.774 3.401 1.00 30.09 H +ATOM 2975 HG3 GLU A 229 45.863 131.586 3.493 1.00 31.40 H +ATOM 2976 HG2 GLU A 229 45.305 132.902 4.478 1.00 31.40 H +ATOM 2977 N ASP A 230 42.378 128.939 5.704 1.00 26.67 N +ATOM 2978 CA ASP A 230 41.256 128.404 6.471 1.00 26.18 C +ATOM 2979 C ASP A 230 40.998 126.978 6.010 1.00 25.66 C +ATOM 2980 O ASP A 230 40.339 126.757 4.995 1.00 25.14 O +ATOM 2981 CB ASP A 230 39.994 129.242 6.269 1.00 25.99 C +ATOM 2982 CG ASP A 230 38.875 128.846 7.223 1.00 26.41 C +ATOM 2983 OD1 ASP A 230 38.942 127.737 7.800 1.00 26.08 O +ATOM 2984 OD2 ASP A 230 37.926 129.643 7.388 1.00 26.28 O1- +ATOM 2985 H ASP A 230 42.555 128.564 4.783 1.00 26.67 H +ATOM 2986 HA ASP A 230 41.516 128.398 7.530 1.00 26.18 H +ATOM 2987 HB3 ASP A 230 39.649 129.134 5.240 1.00 25.99 H +ATOM 2988 HB2 ASP A 230 40.233 130.297 6.408 1.00 25.99 H +ATOM 2989 N VAL A 231 41.525 126.017 6.764 1.00 24.94 N +ATOM 2990 CA VAL A 231 41.378 124.612 6.421 1.00 24.52 C +ATOM 2991 C VAL A 231 39.941 124.116 6.572 1.00 24.03 C +ATOM 2992 O VAL A 231 39.615 123.003 6.172 1.00 24.32 O +ATOM 2993 CB VAL A 231 42.354 123.733 7.265 1.00 24.70 C +ATOM 2994 CG1 VAL A 231 41.935 123.720 8.728 1.00 23.83 C +ATOM 2995 CG2 VAL A 231 42.419 122.328 6.687 1.00 24.48 C +ATOM 2996 H VAL A 231 42.042 126.255 7.598 1.00 24.94 H +ATOM 2997 HA VAL A 231 41.656 124.499 5.373 1.00 24.52 H +ATOM 2998 HB VAL A 231 43.349 124.173 7.201 1.00 24.70 H +ATOM 2999 HG11 VAL A 231 42.628 123.102 9.299 1.00 23.83 H +ATOM 3000 HG12 VAL A 231 41.949 124.737 9.120 1.00 23.83 H +ATOM 3001 HG13 VAL A 231 40.928 123.311 8.814 1.00 23.83 H +ATOM 3002 HG21 VAL A 231 43.102 121.721 7.282 1.00 24.48 H +ATOM 3003 HG22 VAL A 231 41.425 121.880 6.707 1.00 24.48 H +ATOM 3004 HG23 VAL A 231 42.776 122.373 5.659 1.00 24.48 H +ATOM 3005 N ARG A 232 39.075 124.953 7.130 1.00 24.22 N +ATOM 3006 CA ARG A 232 37.676 124.578 7.298 1.00 23.84 C +ATOM 3007 C ARG A 232 36.815 125.088 6.145 1.00 24.17 C +ATOM 3008 O ARG A 232 35.594 124.924 6.168 1.00 25.17 O +ATOM 3009 CB ARG A 232 37.113 125.143 8.607 1.00 23.49 C +ATOM 3010 CG ARG A 232 37.783 124.639 9.873 1.00 22.97 C +ATOM 3011 CD ARG A 232 37.058 125.170 11.100 1.00 22.34 C +ATOM 3012 NE ARG A 232 37.604 124.652 12.352 1.00 22.16 N +ATOM 3013 CZ ARG A 232 38.636 125.186 13.006 1.00 23.06 C +ATOM 3014 NH1 ARG A 232 39.257 126.269 12.530 1.00 22.00 N +ATOM 3015 NH2 ARG A 232 39.035 124.646 14.150 1.00 22.51 N1+ +ATOM 3016 H ARG A 232 39.382 125.862 7.444 1.00 24.22 H +ATOM 3017 HA ARG A 232 37.608 123.491 7.330 1.00 23.84 H +ATOM 3018 HB3 ARG A 232 36.044 124.937 8.658 1.00 23.49 H +ATOM 3019 HB2 ARG A 232 37.165 126.232 8.581 1.00 23.49 H +ATOM 3020 HG3 ARG A 232 38.821 124.972 9.892 1.00 22.97 H +ATOM 3021 HG2 ARG A 232 37.764 123.549 9.884 1.00 22.97 H +ATOM 3022 HD3 ARG A 232 36.000 124.916 11.033 1.00 22.34 H +ATOM 3023 HD2 ARG A 232 37.107 126.259 11.106 1.00 22.34 H +ATOM 3024 HE ARG A 232 37.143 123.832 12.720 1.00 22.16 H +ATOM 3025 HH12 ARG A 232 40.038 126.665 13.034 1.00 22.00 H +ATOM 3026 HH11 ARG A 232 38.945 126.692 11.668 1.00 22.00 H +ATOM 3027 HH22 ARG A 232 39.816 125.045 14.651 1.00 22.51 H +ATOM 3028 HH21 ARG A 232 38.558 123.837 14.520 1.00 22.51 H +ATOM 3029 N ASN A 233 37.434 125.707 5.141 1.00 23.50 N +ATOM 3030 CA ASN A 233 36.667 126.245 4.022 1.00 23.37 C +ATOM 3031 C ASN A 233 36.216 125.142 3.073 1.00 22.97 C +ATOM 3032 O ASN A 233 36.951 124.747 2.167 1.00 22.40 O +ATOM 3033 CB ASN A 233 37.484 127.285 3.250 1.00 23.38 C +ATOM 3034 CG ASN A 233 36.656 128.011 2.211 1.00 23.81 C +ATOM 3035 OD1 ASN A 233 35.723 127.444 1.646 1.00 24.38 O +ATOM 3036 ND2 ASN A 233 37.000 129.266 1.938 1.00 24.16 N +ATOM 3037 H ASN A 233 38.439 125.806 5.152 1.00 23.50 H +ATOM 3038 HA ASN A 233 35.779 126.736 4.421 1.00 23.37 H +ATOM 3039 HB3 ASN A 233 38.328 126.796 2.764 1.00 23.38 H +ATOM 3040 HB2 ASN A 233 37.902 128.009 3.950 1.00 23.38 H +ATOM 3041 HD22 ASN A 233 36.480 129.795 1.253 1.00 24.16 H +ATOM 3042 HD21 ASN A 233 37.781 129.691 2.417 1.00 24.16 H +ATOM 3043 N ASN A 234 34.987 124.671 3.276 1.00 22.31 N +ATOM 3044 CA ASN A 234 34.421 123.597 2.471 1.00 21.63 C +ATOM 3045 C ASN A 234 34.400 123.895 0.970 1.00 21.72 C +ATOM 3046 O ASN A 234 34.473 122.974 0.153 1.00 21.05 O +ATOM 3047 CB ASN A 234 33.001 123.283 2.946 1.00 21.10 C +ATOM 3048 CG ASN A 234 32.543 121.903 2.519 1.00 21.25 C +ATOM 3049 OD1 ASN A 234 33.095 120.890 2.960 1.00 20.48 O +ATOM 3050 ND2 ASN A 234 31.539 121.854 1.655 1.00 19.31 N +ATOM 3051 H ASN A 234 34.412 125.060 4.010 1.00 22.31 H +ATOM 3052 HA ASN A 234 35.030 122.707 2.627 1.00 21.63 H +ATOM 3053 HB3 ASN A 234 32.313 124.031 2.553 1.00 21.10 H +ATOM 3054 HB2 ASN A 234 32.957 123.359 4.033 1.00 21.10 H +ATOM 3055 HD22 ASN A 234 31.192 120.961 1.335 1.00 19.31 H +ATOM 3056 HD21 ASN A 234 31.121 122.708 1.317 1.00 19.31 H +ATOM 3057 N SER A 235 34.290 125.167 0.604 1.00 21.17 N +ATOM 3058 CA SER A 235 34.275 125.532 -0.810 1.00 21.74 C +ATOM 3059 C SER A 235 35.628 125.194 -1.441 1.00 21.88 C +ATOM 3060 O SER A 235 35.700 124.817 -2.611 1.00 21.44 O +ATOM 3061 CB SER A 235 33.995 127.030 -0.982 1.00 21.49 C +ATOM 3062 OG SER A 235 32.699 127.383 -0.524 1.00 22.20 O +ATOM 3063 H SER A 235 34.216 125.890 1.305 1.00 21.17 H +ATOM 3064 HA SER A 235 33.494 124.964 -1.316 1.00 21.74 H +ATOM 3065 HB3 SER A 235 34.093 127.298 -2.034 1.00 21.49 H +ATOM 3066 HB2 SER A 235 34.742 127.604 -0.435 1.00 21.49 H +ATOM 3067 HG SER A 235 32.068 126.715 -0.800 1.00 22.20 H +ATOM 3068 N VAL A 236 36.695 125.337 -0.660 1.00 21.71 N +ATOM 3069 CA VAL A 236 38.048 125.055 -1.138 1.00 22.73 C +ATOM 3070 C VAL A 236 38.295 123.555 -1.278 1.00 22.23 C +ATOM 3071 O VAL A 236 38.941 123.113 -2.225 1.00 21.92 O +ATOM 3072 CB VAL A 236 39.103 125.661 -0.197 1.00 22.21 C +ATOM 3073 CG1 VAL A 236 40.497 125.347 -0.709 1.00 23.14 C +ATOM 3074 CG2 VAL A 236 38.896 127.166 -0.107 1.00 22.38 C +ATOM 3075 H VAL A 236 36.584 125.649 0.295 1.00 21.71 H +ATOM 3076 HA VAL A 236 38.165 125.512 -2.121 1.00 22.73 H +ATOM 3077 HB VAL A 236 38.984 125.227 0.796 1.00 22.21 H +ATOM 3078 HG11 VAL A 236 41.237 125.780 -0.036 1.00 23.14 H +ATOM 3079 HG12 VAL A 236 40.634 124.267 -0.752 1.00 23.14 H +ATOM 3080 HG13 VAL A 236 40.622 125.769 -1.706 1.00 23.14 H +ATOM 3081 HG21 VAL A 236 39.643 127.597 0.559 1.00 22.38 H +ATOM 3082 HG22 VAL A 236 38.997 127.607 -1.099 1.00 22.38 H +ATOM 3083 HG23 VAL A 236 37.899 127.373 0.282 1.00 22.38 H +ATOM 3084 N TRP A 237 37.789 122.774 -0.329 1.00 22.00 N +ATOM 3085 CA TRP A 237 37.943 121.332 -0.417 1.00 22.00 C +ATOM 3086 C TRP A 237 37.199 120.865 -1.662 1.00 21.77 C +ATOM 3087 O TRP A 237 37.633 119.938 -2.344 1.00 22.45 O +ATOM 3088 CB TRP A 237 37.378 120.641 0.834 1.00 21.30 C +ATOM 3089 CG TRP A 237 38.301 120.719 2.028 1.00 21.47 C +ATOM 3090 CD1 TRP A 237 38.228 121.601 3.072 1.00 21.56 C +ATOM 3091 CD2 TRP A 237 39.442 119.886 2.285 1.00 21.12 C +ATOM 3092 NE1 TRP A 237 39.253 121.365 3.963 1.00 21.72 N +ATOM 3093 CE2 TRP A 237 40.011 120.318 3.503 1.00 21.44 C +ATOM 3094 CE3 TRP A 237 40.039 118.816 1.600 1.00 21.41 C +ATOM 3095 CZ2 TRP A 237 41.153 119.716 4.056 1.00 21.26 C +ATOM 3096 CZ3 TRP A 237 41.176 118.214 2.152 1.00 21.38 C +ATOM 3097 CH2 TRP A 237 41.718 118.669 3.368 1.00 21.22 C +ATOM 3098 H TRP A 237 37.297 123.182 0.453 1.00 22.00 H +ATOM 3099 HA TRP A 237 39.001 121.089 -0.516 1.00 22.00 H +ATOM 3100 HB3 TRP A 237 37.169 119.596 0.606 1.00 21.30 H +ATOM 3101 HB2 TRP A 237 36.416 121.085 1.090 1.00 21.30 H +ATOM 3102 HD1 TRP A 237 37.441 122.340 3.101 1.00 21.56 H +ATOM 3103 HE1 TRP A 237 39.341 121.933 4.794 1.00 21.72 H +ATOM 3104 HE3 TRP A 237 39.621 118.473 0.666 1.00 21.41 H +ATOM 3105 HZ2 TRP A 237 41.556 120.078 4.990 1.00 21.26 H +ATOM 3106 HZ3 TRP A 237 41.650 117.388 1.643 1.00 21.38 H +ATOM 3107 HH2 TRP A 237 42.597 118.178 3.759 1.00 21.22 H +ATOM 3108 N ASN A 238 36.078 121.515 -1.964 1.00 21.91 N +ATOM 3109 CA ASN A 238 35.304 121.152 -3.146 1.00 22.21 C +ATOM 3110 C ASN A 238 36.095 121.465 -4.413 1.00 23.01 C +ATOM 3111 O ASN A 238 36.079 120.693 -5.366 1.00 23.30 O +ATOM 3112 CB ASN A 238 33.977 121.908 -3.197 1.00 21.68 C +ATOM 3113 CG ASN A 238 33.127 121.494 -4.390 1.00 20.87 C +ATOM 3114 OD1 ASN A 238 32.639 120.364 -4.456 1.00 20.71 O +ATOM 3115 ND2 ASN A 238 32.967 122.401 -5.348 1.00 19.41 N +ATOM 3116 H ASN A 238 35.755 122.267 -1.372 1.00 21.91 H +ATOM 3117 HA ASN A 238 35.098 120.082 -3.117 1.00 22.21 H +ATOM 3118 HB3 ASN A 238 34.172 122.979 -3.245 1.00 21.68 H +ATOM 3119 HB2 ASN A 238 33.422 121.728 -2.277 1.00 21.68 H +ATOM 3120 HD22 ASN A 238 32.413 122.181 -6.163 1.00 19.41 H +ATOM 3121 HD21 ASN A 238 33.400 123.309 -5.261 1.00 19.41 H +ATOM 3122 N GLN A 239 36.777 122.608 -4.418 1.00 23.31 N +ATOM 3123 CA GLN A 239 37.580 123.013 -5.565 1.00 23.61 C +ATOM 3124 C GLN A 239 38.713 122.013 -5.747 1.00 23.90 C +ATOM 3125 O GLN A 239 39.094 121.697 -6.870 1.00 23.88 O +ATOM 3126 CB GLN A 239 38.173 124.404 -5.343 1.00 23.86 C +ATOM 3127 CG GLN A 239 38.794 125.029 -6.591 1.00 24.25 C +ATOM 3128 CD GLN A 239 37.757 125.408 -7.640 1.00 24.61 C +ATOM 3129 OE1 GLN A 239 36.509 125.024 -7.404 1.00 26.23 O +ATOM 3130 NE2 GLN A 239 38.078 126.038 -8.650 1.00 24.60 N +ATOM 3131 H GLN A 239 36.746 123.219 -3.614 1.00 23.31 H +ATOM 3132 HA GLN A 239 36.957 123.023 -6.460 1.00 23.61 H +ATOM 3133 HB3 GLN A 239 38.922 124.354 -4.553 1.00 23.86 H +ATOM 3134 HB2 GLN A 239 37.401 125.067 -4.952 1.00 23.86 H +ATOM 3135 HG3 GLN A 239 39.511 124.334 -7.026 1.00 24.25 H +ATOM 3136 HG2 GLN A 239 39.363 125.915 -6.308 1.00 24.25 H +ATOM 3137 HE22 GLN A 239 37.378 126.282 -9.337 1.00 24.60 H +ATOM 3138 HE21 GLN A 239 39.040 126.310 -8.791 1.00 24.60 H +ATOM 3139 N ARG A 240 39.250 121.523 -4.632 1.00 23.71 N +ATOM 3140 CA ARG A 240 40.333 120.558 -4.683 1.00 23.84 C +ATOM 3141 C ARG A 240 39.884 119.309 -5.444 1.00 24.19 C +ATOM 3142 O ARG A 240 40.594 118.811 -6.325 1.00 24.50 O +ATOM 3143 CB ARG A 240 40.768 120.173 -3.271 1.00 24.11 C +ATOM 3144 CG ARG A 240 42.075 119.406 -3.262 1.00 24.49 C +ATOM 3145 CD ARG A 240 42.469 118.929 -1.882 1.00 25.54 C +ATOM 3146 NE ARG A 240 43.792 118.323 -1.948 1.00 26.02 N +ATOM 3147 CZ ARG A 240 44.926 119.016 -1.999 1.00 26.47 C +ATOM 3148 NH1 ARG A 240 44.903 120.346 -1.973 1.00 25.61 N +ATOM 3149 NH2 ARG A 240 46.080 118.378 -2.135 1.00 25.16 N1+ +ATOM 3150 H ARG A 240 38.904 121.822 -3.731 1.00 23.71 H +ATOM 3151 HA ARG A 240 41.180 121.004 -5.204 1.00 23.84 H +ATOM 3152 HB3 ARG A 240 39.990 119.569 -2.805 1.00 24.11 H +ATOM 3153 HB2 ARG A 240 40.871 121.073 -2.665 1.00 24.11 H +ATOM 3154 HG3 ARG A 240 42.867 120.035 -3.667 1.00 24.49 H +ATOM 3155 HG2 ARG A 240 41.998 118.550 -3.932 1.00 24.49 H +ATOM 3156 HD3 ARG A 240 41.748 118.190 -1.534 1.00 25.54 H +ATOM 3157 HD2 ARG A 240 42.492 119.777 -1.198 1.00 25.54 H +ATOM 3158 HE ARG A 240 43.817 117.313 -1.952 1.00 26.02 H +ATOM 3159 HH12 ARG A 240 45.767 120.867 -2.012 1.00 25.61 H +ATOM 3160 HH11 ARG A 240 44.021 120.835 -1.913 1.00 25.61 H +ATOM 3161 HH22 ARG A 240 46.944 118.899 -2.174 1.00 25.16 H +ATOM 3162 HH21 ARG A 240 46.095 117.370 -2.198 1.00 25.16 H +ATOM 3163 N TYR A 241 38.705 118.800 -5.100 1.00 23.81 N +ATOM 3164 CA TYR A 241 38.175 117.622 -5.767 1.00 23.70 C +ATOM 3165 C TYR A 241 37.944 117.954 -7.237 1.00 23.38 C +ATOM 3166 O TYR A 241 38.218 117.145 -8.124 1.00 23.00 O +ATOM 3167 CB TYR A 241 36.848 117.176 -5.139 1.00 23.96 C +ATOM 3168 CG TYR A 241 36.381 115.845 -5.685 1.00 24.05 C +ATOM 3169 CD1 TYR A 241 36.744 114.651 -5.061 1.00 23.86 C +ATOM 3170 CD2 TYR A 241 35.676 115.773 -6.885 1.00 23.84 C +ATOM 3171 CE1 TYR A 241 36.426 113.417 -5.621 1.00 24.07 C +ATOM 3172 CE2 TYR A 241 35.354 114.542 -7.460 1.00 24.50 C +ATOM 3173 CZ TYR A 241 35.738 113.371 -6.821 1.00 24.51 C +ATOM 3174 OH TYR A 241 35.461 112.160 -7.398 1.00 25.33 O +ATOM 3175 H TYR A 241 38.163 119.232 -4.365 1.00 23.81 H +ATOM 3176 HA TYR A 241 38.899 116.811 -5.691 1.00 23.70 H +ATOM 3177 HB3 TYR A 241 36.086 117.932 -5.327 1.00 23.96 H +ATOM 3178 HB2 TYR A 241 36.964 117.103 -4.058 1.00 23.96 H +ATOM 3179 HD1 TYR A 241 37.282 114.673 -4.125 1.00 23.86 H +ATOM 3180 HD2 TYR A 241 35.369 116.679 -7.386 1.00 23.84 H +ATOM 3181 HE1 TYR A 241 36.716 112.506 -5.119 1.00 24.07 H +ATOM 3182 HE2 TYR A 241 34.811 114.508 -8.393 1.00 24.50 H +ATOM 3183 HH TYR A 241 34.699 112.248 -7.976 1.00 25.33 H +ATOM 3184 N PHE A 242 37.430 119.152 -7.479 1.00 23.58 N +ATOM 3185 CA PHE A 242 37.150 119.618 -8.830 1.00 24.16 C +ATOM 3186 C PHE A 242 38.410 119.594 -9.693 1.00 24.66 C +ATOM 3187 O PHE A 242 38.400 119.075 -10.811 1.00 24.15 O +ATOM 3188 CB PHE A 242 36.582 121.042 -8.773 1.00 24.78 C +ATOM 3189 CG PHE A 242 36.445 121.697 -10.119 1.00 25.49 C +ATOM 3190 CD1 PHE A 242 35.467 121.282 -11.015 1.00 25.81 C +ATOM 3191 CD2 PHE A 242 37.308 122.723 -10.495 1.00 25.54 C +ATOM 3192 CE1 PHE A 242 35.350 121.879 -12.268 1.00 26.39 C +ATOM 3193 CE2 PHE A 242 37.199 123.327 -11.748 1.00 26.55 C +ATOM 3194 CZ PHE A 242 36.220 122.903 -12.635 1.00 26.12 C +ATOM 3195 H PHE A 242 37.220 119.776 -6.713 1.00 23.58 H +ATOM 3196 HA PHE A 242 36.405 118.961 -9.279 1.00 24.16 H +ATOM 3197 HB3 PHE A 242 37.214 121.658 -8.134 1.00 24.78 H +ATOM 3198 HB2 PHE A 242 35.611 121.024 -8.279 1.00 24.78 H +ATOM 3199 HD1 PHE A 242 34.787 120.488 -10.742 1.00 25.81 H +ATOM 3200 HD2 PHE A 242 38.074 123.062 -9.813 1.00 25.54 H +ATOM 3201 HE1 PHE A 242 34.585 121.547 -12.955 1.00 26.39 H +ATOM 3202 HE2 PHE A 242 37.875 124.122 -12.025 1.00 26.55 H +ATOM 3203 HZ PHE A 242 36.131 123.365 -13.608 1.00 26.12 H +ATOM 3204 N VAL A 243 39.496 120.151 -9.165 1.00 25.23 N +ATOM 3205 CA VAL A 243 40.758 120.210 -9.898 1.00 26.10 C +ATOM 3206 C VAL A 243 41.357 118.834 -10.193 1.00 26.56 C +ATOM 3207 O VAL A 243 41.670 118.521 -11.341 1.00 26.61 O +ATOM 3208 CB VAL A 243 41.805 121.054 -9.132 1.00 25.90 C +ATOM 3209 CG1 VAL A 243 43.143 121.007 -9.845 1.00 25.93 C +ATOM 3210 CG2 VAL A 243 41.323 122.485 -9.016 1.00 26.10 C +ATOM 3211 H VAL A 243 39.461 120.546 -8.236 1.00 25.23 H +ATOM 3212 HA VAL A 243 40.567 120.702 -10.852 1.00 26.10 H +ATOM 3213 HB VAL A 243 41.925 120.640 -8.131 1.00 25.90 H +ATOM 3214 HG11 VAL A 243 43.870 121.605 -9.295 1.00 25.93 H +ATOM 3215 HG12 VAL A 243 43.490 119.975 -9.901 1.00 25.93 H +ATOM 3216 HG13 VAL A 243 43.032 121.407 -10.853 1.00 25.93 H +ATOM 3217 HG21 VAL A 243 42.063 123.075 -8.476 1.00 26.10 H +ATOM 3218 HG22 VAL A 243 41.182 122.904 -10.012 1.00 26.10 H +ATOM 3219 HG23 VAL A 243 40.377 122.507 -8.475 1.00 26.10 H +ATOM 3220 N ILE A 244 41.507 118.014 -9.158 1.00 27.19 N +ATOM 3221 CA ILE A 244 42.094 116.688 -9.311 1.00 27.50 C +ATOM 3222 C ILE A 244 41.285 115.734 -10.188 1.00 28.41 C +ATOM 3223 O ILE A 244 41.850 115.048 -11.048 1.00 28.99 O +ATOM 3224 CB ILE A 244 42.343 116.048 -7.925 1.00 27.57 C +ATOM 3225 CG1 ILE A 244 43.376 116.886 -7.169 1.00 26.71 C +ATOM 3226 CG2 ILE A 244 42.827 114.600 -8.076 1.00 26.94 C +ATOM 3227 CD1 ILE A 244 43.514 116.527 -5.707 1.00 26.30 C +ATOM 3228 H ILE A 244 41.211 118.304 -8.237 1.00 27.19 H +ATOM 3229 HA ILE A 244 43.066 116.817 -9.786 1.00 27.50 H +ATOM 3230 HB ILE A 244 41.409 116.050 -7.364 1.00 27.57 H +ATOM 3231 HG13 ILE A 244 43.121 117.942 -7.260 1.00 26.71 H +ATOM 3232 HG12 ILE A 244 44.346 116.790 -7.658 1.00 26.71 H +ATOM 3233 HG21 ILE A 244 42.996 114.168 -7.089 1.00 26.94 H +ATOM 3234 HG22 ILE A 244 42.071 114.017 -8.602 1.00 26.94 H +ATOM 3235 HG23 ILE A 244 43.758 114.584 -8.643 1.00 26.94 H +ATOM 3236 HD11 ILE A 244 44.266 117.167 -5.245 1.00 26.30 H +ATOM 3237 HD12 ILE A 244 42.557 116.671 -5.205 1.00 26.30 H +ATOM 3238 HD13 ILE A 244 43.819 115.485 -5.615 1.00 26.30 H +ATOM 3239 N SER A 245 39.970 115.688 -9.989 1.00 28.44 N +ATOM 3240 CA SER A 245 39.130 114.795 -10.784 1.00 28.77 C +ATOM 3241 C SER A 245 39.170 115.154 -12.265 1.00 28.97 C +ATOM 3242 O SER A 245 38.977 114.285 -13.122 1.00 28.78 O +ATOM 3243 CB SER A 245 37.676 114.830 -10.295 1.00 28.72 C +ATOM 3244 OG SER A 245 37.073 116.090 -10.542 1.00 30.09 O +ATOM 3245 H SER A 245 39.545 116.273 -9.284 1.00 28.44 H +ATOM 3246 HA SER A 245 39.506 113.779 -10.668 1.00 28.77 H +ATOM 3247 HB3 SER A 245 37.648 114.617 -9.226 1.00 28.72 H +ATOM 3248 HB2 SER A 245 37.105 114.049 -10.799 1.00 28.72 H +ATOM 3249 HG SER A 245 37.446 116.746 -9.949 1.00 30.09 H +ATOM 3250 N ASN A 246 39.419 116.429 -12.566 1.00 28.65 N +ATOM 3251 CA ASN A 246 39.479 116.892 -13.951 1.00 28.87 C +ATOM 3252 C ASN A 246 40.876 116.959 -14.560 1.00 29.16 C +ATOM 3253 O ASN A 246 41.022 117.307 -15.730 1.00 29.33 O +ATOM 3254 CB ASN A 246 38.831 118.267 -14.092 1.00 29.32 C +ATOM 3255 CG ASN A 246 37.327 118.201 -14.069 1.00 30.04 C +ATOM 3256 OD1 ASN A 246 36.729 118.019 -15.242 1.00 30.36 O +ATOM 3257 ND2 ASN A 246 36.703 118.302 -13.014 1.00 30.47 N +ATOM 3258 H ASN A 246 39.571 117.101 -11.827 1.00 28.65 H +ATOM 3259 HA ASN A 246 38.896 116.195 -14.552 1.00 28.87 H +ATOM 3260 HB3 ASN A 246 39.160 118.729 -15.022 1.00 29.32 H +ATOM 3261 HB2 ASN A 246 39.177 118.914 -13.286 1.00 29.32 H +ATOM 3262 HD22 ASN A 246 35.694 118.255 -13.017 1.00 30.47 H +ATOM 3263 HD21 ASN A 246 37.200 118.431 -12.144 1.00 30.47 H +ATOM 3264 N THR A 247 41.900 116.651 -13.774 1.00 29.26 N +ATOM 3265 CA THR A 247 43.264 116.674 -14.279 1.00 29.28 C +ATOM 3266 C THR A 247 43.859 115.263 -14.248 1.00 30.03 C +ATOM 3267 O THR A 247 43.767 114.531 -15.230 1.00 30.14 O +ATOM 3268 CB THR A 247 44.147 117.642 -13.468 1.00 28.73 C +ATOM 3269 OG1 THR A 247 43.990 117.382 -12.069 1.00 28.79 O +ATOM 3270 CG2 THR A 247 43.763 119.086 -13.766 1.00 28.31 C +ATOM 3271 H THR A 247 41.738 116.396 -12.810 1.00 29.26 H +ATOM 3272 HA THR A 247 43.242 117.014 -15.314 1.00 29.28 H +ATOM 3273 HB THR A 247 45.190 117.488 -13.743 1.00 28.73 H +ATOM 3274 HG1 THR A 247 43.169 117.772 -11.760 1.00 28.79 H +ATOM 3275 HG21 THR A 247 44.395 119.758 -13.186 1.00 28.31 H +ATOM 3276 HG22 THR A 247 43.899 119.287 -14.829 1.00 28.31 H +ATOM 3277 HG23 THR A 247 42.719 119.248 -13.498 1.00 28.31 H +ATOM 3278 N THR A 248 44.444 114.873 -13.121 1.00 30.14 N +ATOM 3279 CA THR A 248 45.035 113.545 -12.998 1.00 30.78 C +ATOM 3280 C THR A 248 43.997 112.473 -12.713 1.00 31.09 C +ATOM 3281 O THR A 248 44.161 111.324 -13.118 1.00 31.53 O +ATOM 3282 CB THR A 248 46.064 113.488 -11.857 1.00 30.69 C +ATOM 3283 OG1 THR A 248 45.417 113.805 -10.618 1.00 31.11 O +ATOM 3284 CG2 THR A 248 47.193 114.473 -12.105 1.00 30.40 C +ATOM 3285 H THR A 248 44.485 115.500 -12.330 1.00 30.14 H +ATOM 3286 HA THR A 248 45.539 113.301 -13.933 1.00 30.78 H +ATOM 3287 HB THR A 248 46.476 112.480 -11.797 1.00 30.69 H +ATOM 3288 HG1 THR A 248 44.814 113.097 -10.381 1.00 31.11 H +ATOM 3289 HG21 THR A 248 47.911 114.417 -11.286 1.00 30.40 H +ATOM 3290 HG22 THR A 248 47.692 114.226 -13.042 1.00 30.40 H +ATOM 3291 HG23 THR A 248 46.788 115.483 -12.164 1.00 30.40 H +ATOM 3292 N GLY A 249 42.926 112.852 -12.021 1.00 31.29 N +ATOM 3293 CA GLY A 249 41.906 111.888 -11.663 1.00 30.38 C +ATOM 3294 C GLY A 249 42.409 111.220 -10.398 1.00 30.58 C +ATOM 3295 O GLY A 249 43.539 111.486 -9.981 1.00 30.34 O +ATOM 3296 H GLY A 249 42.820 113.817 -11.742 1.00 31.29 H +ATOM 3297 HA3 GLY A 249 41.818 111.144 -12.455 1.00 30.38 H +ATOM 3298 HA2 GLY A 249 40.974 112.411 -11.450 1.00 30.38 H +ATOM 3299 N TYR A 250 41.601 110.362 -9.787 1.00 30.62 N +ATOM 3300 CA TYR A 250 42.014 109.681 -8.561 1.00 31.58 C +ATOM 3301 C TYR A 250 42.388 108.215 -8.750 1.00 32.35 C +ATOM 3302 O TYR A 250 42.735 107.537 -7.785 1.00 31.93 O +ATOM 3303 CB TYR A 250 40.920 109.765 -7.492 1.00 30.14 C +ATOM 3304 CG TYR A 250 40.710 111.144 -6.915 1.00 29.47 C +ATOM 3305 CD1 TYR A 250 39.849 112.054 -7.524 1.00 28.33 C +ATOM 3306 CD2 TYR A 250 41.370 111.536 -5.753 1.00 28.56 C +ATOM 3307 CE1 TYR A 250 39.648 113.323 -6.985 1.00 28.27 C +ATOM 3308 CE2 TYR A 250 41.177 112.799 -5.206 1.00 28.26 C +ATOM 3309 CZ TYR A 250 40.315 113.686 -5.826 1.00 27.93 C +ATOM 3310 OH TYR A 250 40.119 114.930 -5.279 1.00 27.67 O +ATOM 3311 H TYR A 250 40.685 110.171 -10.168 1.00 30.62 H +ATOM 3312 HA TYR A 250 42.892 110.199 -8.176 1.00 31.58 H +ATOM 3313 HB3 TYR A 250 41.149 109.068 -6.686 1.00 30.14 H +ATOM 3314 HB2 TYR A 250 39.981 109.401 -7.908 1.00 30.14 H +ATOM 3315 HD1 TYR A 250 39.326 111.781 -8.429 1.00 28.33 H +ATOM 3316 HD2 TYR A 250 42.046 110.854 -5.259 1.00 28.56 H +ATOM 3317 HE1 TYR A 250 38.976 114.016 -7.469 1.00 28.27 H +ATOM 3318 HE2 TYR A 250 41.698 113.082 -4.303 1.00 28.26 H +ATOM 3319 HH TYR A 250 40.627 115.007 -4.468 1.00 27.67 H +ATOM 3320 N ASN A 251 42.314 107.721 -9.982 1.00 34.07 N +ATOM 3321 CA ASN A 251 42.655 106.327 -10.248 1.00 35.35 C +ATOM 3322 C ASN A 251 44.158 106.100 -10.168 1.00 35.30 C +ATOM 3323 O ASN A 251 44.618 104.974 -9.991 1.00 36.21 O +ATOM 3324 CB ASN A 251 42.114 105.895 -11.611 1.00 36.97 C +ATOM 3325 CG ASN A 251 40.597 105.790 -11.623 1.00 38.58 C +ATOM 3326 OD1 ASN A 251 40.005 105.087 -10.801 1.00 39.33 O +ATOM 3327 ND2 ASN A 251 39.961 106.488 -12.553 1.00 39.69 N +ATOM 3328 H ASN A 251 42.019 108.312 -10.746 1.00 34.07 H +ATOM 3329 HA ASN A 251 42.179 105.711 -9.485 1.00 35.35 H +ATOM 3330 HB3 ASN A 251 42.546 104.933 -11.884 1.00 36.97 H +ATOM 3331 HB2 ASN A 251 42.434 106.609 -12.370 1.00 36.97 H +ATOM 3332 HD22 ASN A 251 38.953 106.456 -12.607 1.00 39.69 H +ATOM 3333 HD21 ASN A 251 40.484 107.053 -13.207 1.00 39.69 H +ATOM 3334 N ASP A 252 44.923 107.176 -10.304 1.00 35.45 N +ATOM 3335 CA ASP A 252 46.372 107.096 -10.203 1.00 35.17 C +ATOM 3336 C ASP A 252 46.640 106.882 -8.715 1.00 34.38 C +ATOM 3337 O ASP A 252 46.426 107.787 -7.903 1.00 33.88 O +ATOM 3338 CB ASP A 252 46.992 108.406 -10.684 1.00 37.34 C +ATOM 3339 CG ASP A 252 48.499 108.450 -10.496 1.00 39.26 C +ATOM 3340 OD1 ASP A 252 49.114 109.442 -10.945 1.00 41.41 O +ATOM 3341 OD2 ASP A 252 49.070 107.511 -9.903 1.00 40.60 O1- +ATOM 3342 H ASP A 252 44.501 108.076 -10.482 1.00 35.45 H +ATOM 3343 HA ASP A 252 46.751 106.256 -10.786 1.00 35.17 H +ATOM 3344 HB3 ASP A 252 46.536 109.240 -10.150 1.00 37.34 H +ATOM 3345 HB2 ASP A 252 46.754 108.555 -11.737 1.00 37.34 H +ATOM 3346 N ARG A 253 47.099 105.685 -8.360 1.00 33.32 N +ATOM 3347 CA ARG A 253 47.346 105.354 -6.961 1.00 32.48 C +ATOM 3348 C ARG A 253 48.338 106.265 -6.258 1.00 31.73 C +ATOM 3349 O ARG A 253 48.268 106.440 -5.042 1.00 32.01 O +ATOM 3350 CB ARG A 253 47.759 103.884 -6.833 1.00 32.24 C +ATOM 3351 CG ARG A 253 46.659 102.949 -7.309 1.00 31.58 C +ATOM 3352 CD ARG A 253 46.927 101.487 -7.000 1.00 31.44 C +ATOM 3353 NE ARG A 253 45.898 100.626 -7.583 1.00 31.08 N +ATOM 3354 CZ ARG A 253 44.640 100.550 -7.154 1.00 31.71 C +ATOM 3355 NH1 ARG A 253 44.237 101.278 -6.121 1.00 31.14 N +ATOM 3356 NH2 ARG A 253 43.774 99.757 -7.772 1.00 31.90 N1+ +ATOM 3357 H ARG A 253 47.283 104.986 -9.065 1.00 33.32 H +ATOM 3358 HA ARG A 253 46.395 105.461 -6.439 1.00 32.48 H +ATOM 3359 HB3 ARG A 253 47.998 103.663 -5.793 1.00 32.24 H +ATOM 3360 HB2 ARG A 253 48.662 103.709 -7.418 1.00 32.24 H +ATOM 3361 HG3 ARG A 253 46.520 103.071 -8.383 1.00 31.58 H +ATOM 3362 HG2 ARG A 253 45.712 103.246 -6.859 1.00 31.58 H +ATOM 3363 HD3 ARG A 253 46.951 101.343 -5.920 1.00 31.44 H +ATOM 3364 HD2 ARG A 253 47.903 101.205 -7.396 1.00 31.44 H +ATOM 3365 HE ARG A 253 46.200 100.064 -8.366 1.00 31.08 H +ATOM 3366 HH12 ARG A 253 43.281 101.215 -5.800 1.00 31.14 H +ATOM 3367 HH11 ARG A 253 44.886 101.895 -5.654 1.00 31.14 H +ATOM 3368 HH22 ARG A 253 42.820 99.700 -7.446 1.00 31.90 H +ATOM 3369 HH21 ARG A 253 44.069 99.211 -8.569 1.00 31.90 H +ATOM 3370 N ALA A 254 49.260 106.853 -7.007 1.00 30.76 N +ATOM 3371 CA ALA A 254 50.211 107.772 -6.393 1.00 30.11 C +ATOM 3372 C ALA A 254 49.447 109.045 -5.996 1.00 29.46 C +ATOM 3373 O ALA A 254 49.693 109.624 -4.939 1.00 29.16 O +ATOM 3374 CB ALA A 254 51.331 108.109 -7.371 1.00 29.71 C +ATOM 3375 H ALA A 254 49.301 106.663 -7.998 1.00 30.76 H +ATOM 3376 HA ALA A 254 50.636 107.312 -5.501 1.00 30.11 H +ATOM 3377 HB1 ALA A 254 52.033 108.797 -6.899 1.00 29.71 H +ATOM 3378 HB2 ALA A 254 51.853 107.196 -7.655 1.00 29.71 H +ATOM 3379 HB3 ALA A 254 50.909 108.577 -8.261 1.00 29.71 H +ATOM 3380 N VAL A 255 48.521 109.475 -6.850 1.00 28.89 N +ATOM 3381 CA VAL A 255 47.724 110.662 -6.564 1.00 28.63 C +ATOM 3382 C VAL A 255 46.819 110.405 -5.359 1.00 27.85 C +ATOM 3383 O VAL A 255 46.769 111.207 -4.430 1.00 27.45 O +ATOM 3384 CB VAL A 255 46.835 111.064 -7.772 1.00 28.88 C +ATOM 3385 CG1 VAL A 255 45.963 112.262 -7.407 1.00 28.65 C +ATOM 3386 CG2 VAL A 255 47.709 111.406 -8.974 1.00 29.79 C +ATOM 3387 H VAL A 255 48.360 108.977 -7.714 1.00 28.89 H +ATOM 3388 HA VAL A 255 48.395 111.489 -6.330 1.00 28.63 H +ATOM 3389 HB VAL A 255 46.191 110.224 -8.032 1.00 28.88 H +ATOM 3390 HG11 VAL A 255 45.344 112.536 -8.261 1.00 28.65 H +ATOM 3391 HG12 VAL A 255 45.323 112.003 -6.563 1.00 28.65 H +ATOM 3392 HG13 VAL A 255 46.598 113.105 -7.134 1.00 28.65 H +ATOM 3393 HG21 VAL A 255 47.076 111.686 -9.816 1.00 29.79 H +ATOM 3394 HG22 VAL A 255 48.366 112.238 -8.721 1.00 29.79 H +ATOM 3395 HG23 VAL A 255 48.310 110.538 -9.245 1.00 29.79 H +ATOM 3396 N LEU A 256 46.115 109.276 -5.375 1.00 27.42 N +ATOM 3397 CA LEU A 256 45.206 108.930 -4.284 1.00 27.59 C +ATOM 3398 C LEU A 256 45.936 108.873 -2.944 1.00 28.00 C +ATOM 3399 O LEU A 256 45.424 109.348 -1.928 1.00 27.49 O +ATOM 3400 CB LEU A 256 44.527 107.587 -4.568 1.00 26.86 C +ATOM 3401 CG LEU A 256 43.480 107.131 -3.543 1.00 26.98 C +ATOM 3402 CD1 LEU A 256 42.336 108.146 -3.482 1.00 25.76 C +ATOM 3403 CD2 LEU A 256 42.956 105.765 -3.927 1.00 25.31 C +ATOM 3404 H LEU A 256 46.202 108.638 -6.152 1.00 27.42 H +ATOM 3405 HA LEU A 256 44.435 109.698 -4.223 1.00 27.59 H +ATOM 3406 HB3 LEU A 256 45.288 106.814 -4.672 1.00 26.86 H +ATOM 3407 HB2 LEU A 256 44.072 107.617 -5.558 1.00 26.86 H +ATOM 3408 HG LEU A 256 43.949 107.068 -2.562 1.00 26.98 H +ATOM 3409 HD11 LEU A 256 41.596 107.817 -2.753 1.00 25.76 H +ATOM 3410 HD12 LEU A 256 42.728 109.119 -3.187 1.00 25.76 H +ATOM 3411 HD13 LEU A 256 41.868 108.227 -4.464 1.00 25.76 H +ATOM 3412 HD21 LEU A 256 42.212 105.443 -3.198 1.00 25.31 H +ATOM 3413 HD22 LEU A 256 42.498 105.815 -4.915 1.00 25.31 H +ATOM 3414 HD23 LEU A 256 43.780 105.051 -3.945 1.00 25.31 H +ATOM 3415 N GLU A 257 47.136 108.294 -2.950 1.00 28.79 N +ATOM 3416 CA GLU A 257 47.946 108.179 -1.735 1.00 28.87 C +ATOM 3417 C GLU A 257 48.322 109.570 -1.227 1.00 28.49 C +ATOM 3418 O GLU A 257 48.199 109.865 -0.035 1.00 27.97 O +ATOM 3419 CB GLU A 257 49.206 107.355 -2.028 1.00 30.25 C +ATOM 3420 CG GLU A 257 50.201 107.258 -0.882 1.00 31.38 C +ATOM 3421 CD GLU A 257 49.597 106.692 0.384 1.00 32.59 C +ATOM 3422 OE1 GLU A 257 48.552 106.017 0.307 1.00 33.69 O +ATOM 3423 OE2 GLU A 257 50.177 106.912 1.465 1.00 34.22 O1- +ATOM 3424 H GLU A 257 47.512 107.918 -3.809 1.00 28.79 H +ATOM 3425 HA GLU A 257 47.362 107.670 -0.969 1.00 28.87 H +ATOM 3426 HB3 GLU A 257 49.707 107.762 -2.906 1.00 30.25 H +ATOM 3427 HB2 GLU A 257 48.916 106.351 -2.339 1.00 30.25 H +ATOM 3428 HG3 GLU A 257 50.613 108.246 -0.676 1.00 31.38 H +ATOM 3429 HG2 GLU A 257 51.046 106.641 -1.187 1.00 31.38 H +ATOM 3430 N ARG A 258 48.777 110.422 -2.138 1.00 28.13 N +ATOM 3431 CA ARG A 258 49.149 111.784 -1.781 1.00 27.87 C +ATOM 3432 C ARG A 258 47.953 112.479 -1.128 1.00 27.36 C +ATOM 3433 O ARG A 258 48.090 113.150 -0.106 1.00 27.01 O +ATOM 3434 CB ARG A 258 49.555 112.562 -3.030 1.00 28.60 C +ATOM 3435 CG ARG A 258 49.982 114.005 -2.760 1.00 29.90 C +ATOM 3436 CD ARG A 258 49.942 114.823 -4.044 1.00 31.06 C +ATOM 3437 NE ARG A 258 48.572 115.088 -4.482 1.00 31.93 N +ATOM 3438 CZ ARG A 258 48.222 115.325 -5.745 1.00 33.04 C +ATOM 3439 NH1 ARG A 258 49.142 115.320 -6.700 1.00 33.20 N +ATOM 3440 NH2 ARG A 258 46.954 115.586 -6.052 1.00 33.09 N1+ +ATOM 3441 H ARG A 258 48.871 110.130 -3.100 1.00 28.13 H +ATOM 3442 HA ARG A 258 49.983 111.761 -1.080 1.00 27.87 H +ATOM 3443 HB3 ARG A 258 48.731 112.556 -3.743 1.00 28.60 H +ATOM 3444 HB2 ARG A 258 50.363 112.035 -3.537 1.00 28.60 H +ATOM 3445 HG3 ARG A 258 50.994 114.015 -2.355 1.00 29.90 H +ATOM 3446 HG2 ARG A 258 49.312 114.451 -2.025 1.00 29.90 H +ATOM 3447 HD3 ARG A 258 50.477 114.290 -4.830 1.00 31.06 H +ATOM 3448 HD2 ARG A 258 50.462 115.768 -3.888 1.00 31.06 H +ATOM 3449 HE ARG A 258 47.870 115.085 -3.756 1.00 31.93 H +ATOM 3450 HH12 ARG A 258 48.877 115.500 -7.657 1.00 33.20 H +ATOM 3451 HH11 ARG A 258 50.108 115.137 -6.469 1.00 33.20 H +ATOM 3452 HH22 ARG A 258 46.693 115.765 -7.011 1.00 33.09 H +ATOM 3453 HH21 ARG A 258 46.252 115.605 -5.326 1.00 33.09 H +ATOM 3454 N GLU A 259 46.778 112.309 -1.726 1.00 26.57 N +ATOM 3455 CA GLU A 259 45.567 112.929 -1.202 1.00 26.24 C +ATOM 3456 C GLU A 259 45.163 112.364 0.151 1.00 25.91 C +ATOM 3457 O GLU A 259 44.800 113.114 1.060 1.00 25.01 O +ATOM 3458 CB GLU A 259 44.420 112.781 -2.208 1.00 25.81 C +ATOM 3459 CG GLU A 259 44.583 113.673 -3.420 1.00 25.66 C +ATOM 3460 CD GLU A 259 44.774 115.129 -3.029 1.00 26.30 C +ATOM 3461 OE1 GLU A 259 43.852 115.707 -2.407 1.00 25.77 O +ATOM 3462 OE2 GLU A 259 45.850 115.694 -3.335 1.00 25.54 O1- +ATOM 3463 H GLU A 259 46.713 111.742 -2.559 1.00 26.57 H +ATOM 3464 HA GLU A 259 45.764 113.993 -1.075 1.00 26.24 H +ATOM 3465 HB3 GLU A 259 43.475 113.008 -1.715 1.00 25.81 H +ATOM 3466 HB2 GLU A 259 44.353 111.742 -2.530 1.00 25.81 H +ATOM 3467 HG3 GLU A 259 43.705 113.582 -4.059 1.00 25.66 H +ATOM 3468 HG2 GLU A 259 45.441 113.339 -4.004 1.00 25.66 H +ATOM 3469 N VAL A 260 45.227 111.045 0.299 1.00 26.05 N +ATOM 3470 CA VAL A 260 44.867 110.440 1.575 1.00 26.03 C +ATOM 3471 C VAL A 260 45.820 110.918 2.676 1.00 26.67 C +ATOM 3472 O VAL A 260 45.386 111.239 3.785 1.00 26.12 O +ATOM 3473 CB VAL A 260 44.878 108.899 1.485 1.00 25.44 C +ATOM 3474 CG1 VAL A 260 44.738 108.285 2.872 1.00 24.95 C +ATOM 3475 CG2 VAL A 260 43.728 108.435 0.597 1.00 25.00 C +ATOM 3476 H VAL A 260 45.524 110.465 -0.472 1.00 26.05 H +ATOM 3477 HA VAL A 260 43.858 110.761 1.834 1.00 26.03 H +ATOM 3478 HB VAL A 260 45.821 108.575 1.045 1.00 25.44 H +ATOM 3479 HG11 VAL A 260 44.747 107.198 2.792 1.00 24.95 H +ATOM 3480 HG12 VAL A 260 45.568 108.609 3.500 1.00 24.95 H +ATOM 3481 HG13 VAL A 260 43.798 108.607 3.320 1.00 24.95 H +ATOM 3482 HG21 VAL A 260 43.734 107.347 0.532 1.00 25.00 H +ATOM 3483 HG22 VAL A 260 42.782 108.768 1.024 1.00 25.00 H +ATOM 3484 HG23 VAL A 260 43.845 108.859 -0.400 1.00 25.00 H +ATOM 3485 N GLN A 261 47.114 110.979 2.365 1.00 27.30 N +ATOM 3486 CA GLN A 261 48.112 111.434 3.335 1.00 28.28 C +ATOM 3487 C GLN A 261 47.887 112.899 3.691 1.00 27.73 C +ATOM 3488 O GLN A 261 47.945 113.284 4.855 1.00 27.79 O +ATOM 3489 CB GLN A 261 49.530 111.270 2.774 1.00 29.36 C +ATOM 3490 CG GLN A 261 50.033 109.837 2.747 1.00 32.85 C +ATOM 3491 CD GLN A 261 50.391 109.304 4.126 1.00 34.38 C +ATOM 3492 OE1 GLN A 261 50.400 110.184 5.121 1.00 36.62 O +ATOM 3493 NE2 GLN A 261 50.666 108.112 4.293 1.00 35.28 N +ATOM 3494 H GLN A 261 47.425 110.709 1.443 1.00 27.30 H +ATOM 3495 HA GLN A 261 48.020 110.835 4.241 1.00 28.28 H +ATOM 3496 HB3 GLN A 261 50.220 111.884 3.353 1.00 29.36 H +ATOM 3497 HB2 GLN A 261 49.571 111.686 1.768 1.00 29.36 H +ATOM 3498 HG3 GLN A 261 50.905 109.771 2.096 1.00 32.85 H +ATOM 3499 HG2 GLN A 261 49.275 109.195 2.297 1.00 32.85 H +ATOM 3500 HE22 GLN A 261 50.902 107.772 5.214 1.00 35.28 H +ATOM 3501 HE21 GLN A 261 50.655 107.477 3.507 1.00 35.28 H +ATOM 3502 N TYR A 262 47.646 113.717 2.676 1.00 27.57 N +ATOM 3503 CA TYR A 262 47.398 115.135 2.896 1.00 28.00 C +ATOM 3504 C TYR A 262 46.179 115.329 3.803 1.00 27.60 C +ATOM 3505 O TYR A 262 46.223 116.085 4.774 1.00 27.45 O +ATOM 3506 CB TYR A 262 47.143 115.831 1.561 1.00 28.75 C +ATOM 3507 CG TYR A 262 46.753 117.285 1.693 1.00 30.49 C +ATOM 3508 CD1 TYR A 262 47.718 118.272 1.878 1.00 31.85 C +ATOM 3509 CD2 TYR A 262 45.412 117.673 1.646 1.00 30.49 C +ATOM 3510 CE1 TYR A 262 47.358 119.615 2.007 1.00 32.64 C +ATOM 3511 CE2 TYR A 262 45.044 119.002 1.778 1.00 31.22 C +ATOM 3512 CZ TYR A 262 46.019 119.970 1.955 1.00 32.41 C +ATOM 3513 OH TYR A 262 45.660 121.293 2.066 1.00 33.26 O +ATOM 3514 H TYR A 262 47.632 113.359 1.732 1.00 27.57 H +ATOM 3515 HA TYR A 262 48.272 115.581 3.370 1.00 28.00 H +ATOM 3516 HB3 TYR A 262 46.365 115.296 1.017 1.00 28.75 H +ATOM 3517 HB2 TYR A 262 48.032 115.751 0.936 1.00 28.75 H +ATOM 3518 HD1 TYR A 262 48.763 118.003 1.924 1.00 31.85 H +ATOM 3519 HD2 TYR A 262 44.640 116.931 1.505 1.00 30.49 H +ATOM 3520 HE1 TYR A 262 48.120 120.367 2.146 1.00 32.64 H +ATOM 3521 HE2 TYR A 262 44.001 119.279 1.742 1.00 31.22 H +ATOM 3522 HH TYR A 262 46.421 121.809 2.343 1.00 33.26 H +ATOM 3523 N THR A 263 45.093 114.639 3.481 1.00 27.13 N +ATOM 3524 CA THR A 263 43.867 114.759 4.259 1.00 26.82 C +ATOM 3525 C THR A 263 44.051 114.255 5.690 1.00 27.09 C +ATOM 3526 O THR A 263 43.590 114.888 6.636 1.00 26.48 O +ATOM 3527 CB THR A 263 42.710 113.997 3.581 1.00 26.15 C +ATOM 3528 OG1 THR A 263 42.625 114.398 2.206 1.00 25.01 O +ATOM 3529 CG2 THR A 263 41.382 114.320 4.266 1.00 24.92 C +ATOM 3530 H THR A 263 45.107 114.018 2.685 1.00 27.13 H +ATOM 3531 HA THR A 263 43.597 115.814 4.304 1.00 26.82 H +ATOM 3532 HB THR A 263 42.898 112.925 3.637 1.00 26.15 H +ATOM 3533 HG1 THR A 263 43.346 114.001 1.712 1.00 25.01 H +ATOM 3534 HG21 THR A 263 40.577 113.774 3.775 1.00 24.92 H +ATOM 3535 HG22 THR A 263 41.433 114.026 5.315 1.00 24.92 H +ATOM 3536 HG23 THR A 263 41.188 115.391 4.199 1.00 24.92 H +ATOM 3537 N LEU A 264 44.732 113.124 5.849 1.00 27.52 N +ATOM 3538 CA LEU A 264 44.965 112.578 7.181 1.00 27.85 C +ATOM 3539 C LEU A 264 45.763 113.556 8.038 1.00 28.66 C +ATOM 3540 O LEU A 264 45.496 113.709 9.227 1.00 28.74 O +ATOM 3541 CB LEU A 264 45.696 111.236 7.095 1.00 27.24 C +ATOM 3542 CG LEU A 264 44.828 110.034 6.711 1.00 27.25 C +ATOM 3543 CD1 LEU A 264 45.690 108.794 6.553 1.00 26.68 C +ATOM 3544 CD2 LEU A 264 43.771 109.805 7.785 1.00 26.50 C +ATOM 3545 H LEU A 264 45.093 112.634 5.043 1.00 27.52 H +ATOM 3546 HA LEU A 264 43.999 112.413 7.658 1.00 27.85 H +ATOM 3547 HB3 LEU A 264 46.191 111.034 8.044 1.00 27.24 H +ATOM 3548 HB2 LEU A 264 46.524 111.322 6.391 1.00 27.24 H +ATOM 3549 HG LEU A 264 44.331 110.243 5.763 1.00 27.25 H +ATOM 3550 HD11 LEU A 264 45.062 107.946 6.280 1.00 26.68 H +ATOM 3551 HD12 LEU A 264 46.431 108.964 5.771 1.00 26.68 H +ATOM 3552 HD13 LEU A 264 46.198 108.582 7.494 1.00 26.68 H +ATOM 3553 HD21 LEU A 264 43.154 108.949 7.511 1.00 26.50 H +ATOM 3554 HD22 LEU A 264 44.259 109.609 8.740 1.00 26.50 H +ATOM 3555 HD23 LEU A 264 43.143 110.692 7.873 1.00 26.50 H +ATOM 3556 N GLU A 265 46.742 114.225 7.441 1.00 29.61 N +ATOM 3557 CA GLU A 265 47.527 115.188 8.199 1.00 30.98 C +ATOM 3558 C GLU A 265 46.653 116.369 8.631 1.00 30.53 C +ATOM 3559 O GLU A 265 46.793 116.878 9.746 1.00 30.38 O +ATOM 3560 CB GLU A 265 48.719 115.690 7.376 1.00 32.82 C +ATOM 3561 CG GLU A 265 49.472 116.860 8.029 1.00 36.76 C +ATOM 3562 CD GLU A 265 49.922 116.574 9.471 1.00 39.28 C +ATOM 3563 OE1 GLU A 265 50.467 117.497 10.118 1.00 41.11 O +ATOM 3564 OE2 GLU A 265 49.735 115.436 9.962 1.00 40.80 O1- +ATOM 3565 H GLU A 265 46.940 114.065 6.463 1.00 29.61 H +ATOM 3566 HA GLU A 265 47.908 114.695 9.093 1.00 30.98 H +ATOM 3567 HB3 GLU A 265 48.375 115.989 6.386 1.00 32.82 H +ATOM 3568 HB2 GLU A 265 49.411 114.866 7.202 1.00 32.82 H +ATOM 3569 HG3 GLU A 265 48.841 117.748 8.016 1.00 36.76 H +ATOM 3570 HG2 GLU A 265 50.341 117.114 7.422 1.00 36.76 H +ATOM 3571 N MET A 266 45.751 116.803 7.755 1.00 29.78 N +ATOM 3572 CA MET A 266 44.871 117.915 8.094 1.00 29.71 C +ATOM 3573 C MET A 266 43.943 117.501 9.231 1.00 29.65 C +ATOM 3574 O MET A 266 43.646 118.296 10.123 1.00 28.91 O +ATOM 3575 CB MET A 266 44.051 118.351 6.873 1.00 29.21 C +ATOM 3576 CG MET A 266 44.885 118.965 5.750 1.00 30.01 C +ATOM 3577 SD MET A 266 45.795 120.446 6.270 1.00 30.38 S +ATOM 3578 CE MET A 266 47.341 119.719 6.834 1.00 32.52 C +ATOM 3579 H MET A 266 45.673 116.361 6.850 1.00 29.78 H +ATOM 3580 HA MET A 266 45.480 118.756 8.426 1.00 29.71 H +ATOM 3581 HB3 MET A 266 43.287 119.062 7.187 1.00 29.21 H +ATOM 3582 HB2 MET A 266 43.497 117.496 6.486 1.00 29.21 H +ATOM 3583 HG3 MET A 266 44.235 119.215 4.912 1.00 30.01 H +ATOM 3584 HG2 MET A 266 45.588 118.222 5.373 1.00 30.01 H +ATOM 3585 HE1 MET A 266 48.007 120.507 7.186 1.00 32.52 H +ATOM 3586 HE2 MET A 266 47.140 119.023 7.649 1.00 32.52 H +ATOM 3587 HE3 MET A 266 47.814 119.185 6.010 1.00 32.52 H +ATOM 3588 N ILE A 267 43.501 116.248 9.204 1.00 29.90 N +ATOM 3589 CA ILE A 267 42.613 115.738 10.239 1.00 30.55 C +ATOM 3590 C ILE A 267 43.318 115.729 11.595 1.00 31.38 C +ATOM 3591 O ILE A 267 42.744 116.134 12.604 1.00 31.18 O +ATOM 3592 CB ILE A 267 42.125 114.306 9.900 1.00 30.47 C +ATOM 3593 CG1 ILE A 267 41.194 114.350 8.683 1.00 30.30 C +ATOM 3594 CG2 ILE A 267 41.409 113.695 11.104 1.00 30.29 C +ATOM 3595 CD1 ILE A 267 40.725 112.988 8.205 1.00 29.56 C +ATOM 3596 H ILE A 267 43.780 115.630 8.455 1.00 29.90 H +ATOM 3597 HA ILE A 267 41.745 116.394 10.304 1.00 30.55 H +ATOM 3598 HB ILE A 267 42.990 113.689 9.658 1.00 30.47 H +ATOM 3599 HG13 ILE A 267 41.694 114.868 7.865 1.00 30.30 H +ATOM 3600 HG12 ILE A 267 40.328 114.970 8.914 1.00 30.30 H +ATOM 3601 HG21 ILE A 267 41.071 112.689 10.854 1.00 30.29 H +ATOM 3602 HG22 ILE A 267 42.095 113.648 11.950 1.00 30.29 H +ATOM 3603 HG23 ILE A 267 40.550 114.312 11.368 1.00 30.29 H +ATOM 3604 HD11 ILE A 267 40.071 113.111 7.341 1.00 29.56 H +ATOM 3605 HD12 ILE A 267 41.588 112.384 7.923 1.00 29.56 H +ATOM 3606 HD13 ILE A 267 40.179 112.489 9.005 1.00 29.56 H +ATOM 3607 N LYS A 268 44.566 115.277 11.627 1.00 32.32 N +ATOM 3608 CA LYS A 268 45.287 115.246 12.892 1.00 33.23 C +ATOM 3609 C LYS A 268 45.581 116.653 13.412 1.00 32.84 C +ATOM 3610 O LYS A 268 45.690 116.864 14.622 1.00 32.69 O +ATOM 3611 CB LYS A 268 46.567 114.414 12.746 1.00 35.01 C +ATOM 3612 CG LYS A 268 46.264 112.911 12.678 1.00 37.17 C +ATOM 3613 CD LYS A 268 47.510 112.043 12.576 1.00 38.75 C +ATOM 3614 CE LYS A 268 48.159 112.147 11.206 1.00 39.96 C +ATOM 3615 NZ LYS A 268 49.358 111.263 11.106 1.00 41.54 N1+ +ATOM 3616 H LYS A 268 45.010 114.958 10.778 1.00 32.32 H +ATOM 3617 HA LYS A 268 44.650 114.749 13.623 1.00 33.23 H +ATOM 3618 HB3 LYS A 268 47.227 114.612 13.591 1.00 35.01 H +ATOM 3619 HB2 LYS A 268 47.097 114.718 11.844 1.00 35.01 H +ATOM 3620 HG3 LYS A 268 45.614 112.711 11.826 1.00 37.17 H +ATOM 3621 HG2 LYS A 268 45.690 112.617 13.557 1.00 37.17 H +ATOM 3622 HD3 LYS A 268 47.246 111.005 12.774 1.00 38.75 H +ATOM 3623 HD2 LYS A 268 48.226 112.346 13.340 1.00 38.75 H +ATOM 3624 HE3 LYS A 268 48.454 113.180 11.021 1.00 39.96 H +ATOM 3625 HE2 LYS A 268 47.436 111.866 10.440 1.00 39.96 H +ATOM 3626 HZ1 LYS A 268 49.083 110.303 11.259 1.00 41.54 H +ATOM 3627 HZ2 LYS A 268 49.767 111.353 10.186 1.00 41.54 H +ATOM 3628 HZ3 LYS A 268 50.036 111.534 11.803 1.00 41.54 H +ATOM 3629 N LEU A 269 45.690 117.615 12.500 1.00 32.05 N +ATOM 3630 CA LEU A 269 45.930 119.009 12.872 1.00 31.69 C +ATOM 3631 C LEU A 269 44.651 119.635 13.443 1.00 31.08 C +ATOM 3632 O LEU A 269 44.698 120.388 14.414 1.00 31.30 O +ATOM 3633 CB LEU A 269 46.381 119.812 11.647 1.00 32.47 C +ATOM 3634 CG LEU A 269 47.832 120.299 11.569 1.00 33.89 C +ATOM 3635 CD1 LEU A 269 48.795 119.167 11.868 1.00 33.82 C +ATOM 3636 CD2 LEU A 269 48.093 120.875 10.179 1.00 33.81 C +ATOM 3637 H LEU A 269 45.607 117.393 11.519 1.00 32.05 H +ATOM 3638 HA LEU A 269 46.713 119.045 13.629 1.00 31.69 H +ATOM 3639 HB3 LEU A 269 45.712 120.662 11.513 1.00 32.47 H +ATOM 3640 HB2 LEU A 269 46.148 119.245 10.745 1.00 32.47 H +ATOM 3641 HG LEU A 269 47.977 121.087 12.308 1.00 33.89 H +ATOM 3642 HD11 LEU A 269 49.819 119.535 11.807 1.00 33.82 H +ATOM 3643 HD12 LEU A 269 48.606 118.783 12.870 1.00 33.82 H +ATOM 3644 HD13 LEU A 269 48.653 118.368 11.140 1.00 33.82 H +ATOM 3645 HD21 LEU A 269 49.124 121.224 10.117 1.00 33.81 H +ATOM 3646 HD22 LEU A 269 47.926 120.103 9.428 1.00 33.81 H +ATOM 3647 HD23 LEU A 269 47.416 121.710 9.998 1.00 33.81 H +ATOM 3648 N VAL A 270 43.513 119.331 12.822 1.00 29.78 N +ATOM 3649 CA VAL A 270 42.212 119.848 13.256 1.00 28.75 C +ATOM 3650 C VAL A 270 41.214 118.683 13.190 1.00 28.13 C +ATOM 3651 O VAL A 270 40.423 118.578 12.253 1.00 27.76 O +ATOM 3652 CB VAL A 270 41.732 120.988 12.329 1.00 28.66 C +ATOM 3653 CG1 VAL A 270 40.462 121.613 12.878 1.00 28.87 C +ATOM 3654 CG2 VAL A 270 42.822 122.039 12.191 1.00 28.58 C +ATOM 3655 H VAL A 270 43.524 118.720 12.018 1.00 29.78 H +ATOM 3656 HA VAL A 270 42.284 120.213 14.280 1.00 28.75 H +ATOM 3657 HB VAL A 270 41.520 120.572 11.344 1.00 28.66 H +ATOM 3658 HG11 VAL A 270 40.135 122.414 12.216 1.00 28.87 H +ATOM 3659 HG12 VAL A 270 39.682 120.854 12.943 1.00 28.87 H +ATOM 3660 HG13 VAL A 270 40.656 122.019 13.871 1.00 28.87 H +ATOM 3661 HG21 VAL A 270 42.476 122.839 11.536 1.00 28.58 H +ATOM 3662 HG22 VAL A 270 43.057 122.450 13.172 1.00 28.58 H +ATOM 3663 HG23 VAL A 270 43.716 121.583 11.765 1.00 28.58 H +ATOM 3664 N PRO A 271 41.252 117.793 14.198 1.00 27.28 N +ATOM 3665 CA PRO A 271 40.405 116.601 14.333 1.00 26.71 C +ATOM 3666 C PRO A 271 38.897 116.807 14.202 1.00 26.51 C +ATOM 3667 O PRO A 271 38.181 115.897 13.776 1.00 25.84 O +ATOM 3668 CB PRO A 271 40.789 116.060 15.713 1.00 26.60 C +ATOM 3669 CG PRO A 271 42.198 116.516 15.877 1.00 27.14 C +ATOM 3670 CD PRO A 271 42.139 117.929 15.368 1.00 26.88 C +ATOM 3671 HA PRO A 271 40.717 115.875 13.583 1.00 26.71 H +ATOM 3672 HB3 PRO A 271 40.764 114.970 15.691 1.00 26.60 H +ATOM 3673 HB2 PRO A 271 40.166 116.534 16.471 1.00 26.60 H +ATOM 3674 HG3 PRO A 271 42.844 115.927 15.227 1.00 27.14 H +ATOM 3675 HG2 PRO A 271 42.450 116.527 16.938 1.00 27.14 H +ATOM 3676 HD2 PRO A 271 41.654 118.559 16.114 1.00 26.88 H +ATOM 3677 HD3 PRO A 271 43.131 118.231 15.032 1.00 26.88 H +ATOM 3678 N HIS A 272 38.412 117.986 14.578 1.00 25.84 N +ATOM 3679 CA HIS A 272 36.984 118.251 14.493 1.00 25.65 C +ATOM 3680 C HIS A 272 36.564 119.041 13.258 1.00 25.48 C +ATOM 3681 O HIS A 272 35.440 119.533 13.183 1.00 25.10 O +ATOM 3682 CB HIS A 272 36.503 118.940 15.774 1.00 25.43 C +ATOM 3683 CG HIS A 272 36.631 118.077 16.991 1.00 25.76 C +ATOM 3684 ND1 HIS A 272 35.742 117.251 17.596 1.00 25.75 N +ATOM 3685 CD2 HIS A 272 37.814 117.939 17.684 1.00 26.01 C +ATOM 3686 CE1 HIS A 272 36.402 116.632 18.630 1.00 26.07 C +ATOM 3687 NE2 HIS A 272 37.650 117.065 18.663 1.00 26.31 N +ATOM 3688 H HIS A 272 39.035 118.702 14.924 1.00 25.84 H +ATOM 3689 HA HIS A 272 36.482 117.285 14.440 1.00 25.65 H +ATOM 3690 HB3 HIS A 272 35.463 119.243 15.653 1.00 25.43 H +ATOM 3691 HB2 HIS A 272 37.066 119.861 15.923 1.00 25.43 H +ATOM 3692 HD2 HIS A 272 38.627 118.470 17.406 1.00 26.01 H +ATOM 3693 HE1 HIS A 272 35.915 115.967 19.214 1.00 26.07 H +ATOM 3694 HE2 HIS A 272 38.476 116.825 19.316 1.00 26.31 H +ATOM 3695 N ASN A 273 37.467 119.165 12.289 1.00 25.08 N +ATOM 3696 CA ASN A 273 37.132 119.869 11.056 1.00 24.61 C +ATOM 3697 C ASN A 273 36.418 118.852 10.177 1.00 24.52 C +ATOM 3698 O ASN A 273 37.045 117.927 9.656 1.00 24.29 O +ATOM 3699 CB ASN A 273 38.392 120.381 10.354 1.00 24.33 C +ATOM 3700 CG ASN A 273 38.105 120.924 8.968 1.00 24.70 C +ATOM 3701 OD1 ASN A 273 36.971 121.293 8.654 1.00 24.08 O +ATOM 3702 ND2 ASN A 273 39.137 120.991 8.132 1.00 24.24 N +ATOM 3703 H ASN A 273 38.390 118.771 12.405 1.00 25.08 H +ATOM 3704 HA ASN A 273 36.465 120.703 11.275 1.00 24.61 H +ATOM 3705 HB3 ASN A 273 39.121 119.574 10.284 1.00 24.33 H +ATOM 3706 HB2 ASN A 273 38.852 121.161 10.961 1.00 24.33 H +ATOM 3707 HD22 ASN A 273 39.006 121.344 7.195 1.00 24.24 H +ATOM 3708 HD21 ASN A 273 40.052 120.689 8.434 1.00 24.24 H +ATOM 3709 N GLU A 274 35.107 119.021 10.022 1.00 24.02 N +ATOM 3710 CA GLU A 274 34.309 118.090 9.230 1.00 23.92 C +ATOM 3711 C GLU A 274 34.652 118.021 7.740 1.00 22.51 C +ATOM 3712 O GLU A 274 34.576 116.949 7.146 1.00 21.41 O +ATOM 3713 CB GLU A 274 32.808 118.393 9.391 1.00 24.67 C +ATOM 3714 CG GLU A 274 31.917 117.454 8.573 1.00 27.28 C +ATOM 3715 CD GLU A 274 30.430 117.677 8.795 1.00 28.59 C +ATOM 3716 OE1 GLU A 274 29.621 117.072 8.050 1.00 26.99 O +ATOM 3717 OE2 GLU A 274 30.074 118.450 9.716 1.00 30.91 O1- +ATOM 3718 H GLU A 274 34.644 119.806 10.457 1.00 24.02 H +ATOM 3719 HA GLU A 274 34.479 117.095 9.642 1.00 23.92 H +ATOM 3720 HB3 GLU A 274 32.613 119.425 9.098 1.00 24.67 H +ATOM 3721 HB2 GLU A 274 32.536 118.324 10.445 1.00 24.67 H +ATOM 3722 HG3 GLU A 274 32.167 116.420 8.810 1.00 27.28 H +ATOM 3723 HG2 GLU A 274 32.146 117.570 7.514 1.00 27.28 H +ATOM 3724 N SER A 275 35.032 119.146 7.139 1.00 21.74 N +ATOM 3725 CA SER A 275 35.360 119.166 5.712 1.00 21.66 C +ATOM 3726 C SER A 275 36.426 118.145 5.301 1.00 21.67 C +ATOM 3727 O SER A 275 36.285 117.477 4.271 1.00 22.18 O +ATOM 3728 CB SER A 275 35.801 120.566 5.277 1.00 21.23 C +ATOM 3729 OG SER A 275 34.701 121.455 5.227 1.00 20.45 O +ATOM 3730 H SER A 275 35.098 120.004 7.668 1.00 21.74 H +ATOM 3731 HA SER A 275 34.449 118.925 5.164 1.00 21.66 H +ATOM 3732 HB3 SER A 275 36.268 120.511 4.294 1.00 21.23 H +ATOM 3733 HB2 SER A 275 36.543 120.947 5.979 1.00 21.23 H +ATOM 3734 HG SER A 275 34.287 121.404 4.363 1.00 20.45 H +ATOM 3735 N ALA A 276 37.483 118.024 6.097 1.00 21.39 N +ATOM 3736 CA ALA A 276 38.556 117.073 5.799 1.00 21.58 C +ATOM 3737 C ALA A 276 38.027 115.639 5.868 1.00 21.67 C +ATOM 3738 O ALA A 276 38.332 114.812 5.010 1.00 22.03 O +ATOM 3739 CB ALA A 276 39.706 117.255 6.778 1.00 21.25 C +ATOM 3740 H ALA A 276 37.558 118.594 6.927 1.00 21.39 H +ATOM 3741 HA ALA A 276 38.922 117.262 4.790 1.00 21.58 H +ATOM 3742 HB1 ALA A 276 40.497 116.542 6.546 1.00 21.25 H +ATOM 3743 HB2 ALA A 276 40.096 118.269 6.696 1.00 21.25 H +ATOM 3744 HB3 ALA A 276 39.350 117.083 7.793 1.00 21.25 H +ATOM 3745 N TRP A 277 37.243 115.342 6.901 1.00 21.64 N +ATOM 3746 CA TRP A 277 36.662 114.010 7.040 1.00 21.77 C +ATOM 3747 C TRP A 277 35.777 113.672 5.836 1.00 21.66 C +ATOM 3748 O TRP A 277 35.828 112.557 5.311 1.00 21.65 O +ATOM 3749 CB TRP A 277 35.828 113.917 8.321 1.00 21.47 C +ATOM 3750 CG TRP A 277 36.654 113.740 9.571 1.00 21.67 C +ATOM 3751 CD1 TRP A 277 36.961 114.692 10.496 1.00 21.25 C +ATOM 3752 CD2 TRP A 277 37.255 112.524 10.029 1.00 21.62 C +ATOM 3753 NE1 TRP A 277 37.715 114.144 11.508 1.00 21.79 N +ATOM 3754 CE2 TRP A 277 37.909 112.814 11.247 1.00 21.52 C +ATOM 3755 CE3 TRP A 277 37.302 111.213 9.527 1.00 21.22 C +ATOM 3756 CZ2 TRP A 277 38.604 111.844 11.976 1.00 21.62 C +ATOM 3757 CZ3 TRP A 277 37.998 110.242 10.252 1.00 21.87 C +ATOM 3758 CH2 TRP A 277 38.639 110.566 11.466 1.00 22.26 C +ATOM 3759 H TRP A 277 37.044 116.042 7.602 1.00 21.64 H +ATOM 3760 HA TRP A 277 37.470 113.280 7.095 1.00 21.77 H +ATOM 3761 HB3 TRP A 277 35.122 113.091 8.234 1.00 21.47 H +ATOM 3762 HB2 TRP A 277 35.213 114.812 8.417 1.00 21.47 H +ATOM 3763 HD1 TRP A 277 36.614 115.706 10.363 1.00 21.25 H +ATOM 3764 HE1 TRP A 277 38.025 114.722 12.276 1.00 21.79 H +ATOM 3765 HE3 TRP A 277 36.806 110.973 8.597 1.00 21.22 H +ATOM 3766 HZ2 TRP A 277 39.089 112.110 12.904 1.00 21.62 H +ATOM 3767 HZ3 TRP A 277 38.050 109.228 9.884 1.00 21.87 H +ATOM 3768 HH2 TRP A 277 39.165 109.787 11.998 1.00 22.26 H +ATOM 3769 N ASN A 278 34.965 114.635 5.400 1.00 21.57 N +ATOM 3770 CA ASN A 278 34.074 114.416 4.259 1.00 21.49 C +ATOM 3771 C ASN A 278 34.855 114.198 2.973 1.00 21.34 C +ATOM 3772 O ASN A 278 34.464 113.385 2.132 1.00 21.08 O +ATOM 3773 CB ASN A 278 33.111 115.595 4.092 1.00 20.63 C +ATOM 3774 CG ASN A 278 32.167 115.743 5.273 1.00 20.45 C +ATOM 3775 OD1 ASN A 278 31.985 114.809 6.056 1.00 20.49 O +ATOM 3776 ND2 ASN A 278 31.552 116.914 5.401 1.00 19.53 N +ATOM 3777 H ASN A 278 34.958 115.535 5.859 1.00 21.57 H +ATOM 3778 HA ASN A 278 33.484 113.521 4.455 1.00 21.49 H +ATOM 3779 HB3 ASN A 278 32.531 115.462 3.179 1.00 20.63 H +ATOM 3780 HB2 ASN A 278 33.682 116.515 3.967 1.00 20.63 H +ATOM 3781 HD22 ASN A 278 30.913 117.068 6.168 1.00 19.53 H +ATOM 3782 HD21 ASN A 278 31.723 117.650 4.731 1.00 19.53 H +ATOM 3783 N TYR A 279 35.960 114.923 2.819 1.00 22.07 N +ATOM 3784 CA TYR A 279 36.797 114.776 1.632 1.00 22.07 C +ATOM 3785 C TYR A 279 37.422 113.382 1.642 1.00 22.23 C +ATOM 3786 O TYR A 279 37.472 112.710 0.611 1.00 22.65 O +ATOM 3787 CB TYR A 279 37.902 115.840 1.617 1.00 22.27 C +ATOM 3788 CG TYR A 279 38.810 115.782 0.406 1.00 22.01 C +ATOM 3789 CD1 TYR A 279 38.371 116.227 -0.841 1.00 21.79 C +ATOM 3790 CD2 TYR A 279 40.119 115.298 0.510 1.00 22.72 C +ATOM 3791 CE1 TYR A 279 39.211 116.198 -1.960 1.00 22.39 C +ATOM 3792 CE2 TYR A 279 40.973 115.262 -0.604 1.00 22.58 C +ATOM 3793 CZ TYR A 279 40.510 115.717 -1.835 1.00 23.22 C +ATOM 3794 OH TYR A 279 41.340 115.700 -2.935 1.00 23.03 O +ATOM 3795 H TYR A 279 36.231 115.587 3.530 1.00 22.07 H +ATOM 3796 HA TYR A 279 36.179 114.887 0.741 1.00 22.07 H +ATOM 3797 HB3 TYR A 279 38.502 115.751 2.523 1.00 22.27 H +ATOM 3798 HB2 TYR A 279 37.451 116.831 1.683 1.00 22.27 H +ATOM 3799 HD1 TYR A 279 37.365 116.603 -0.957 1.00 21.79 H +ATOM 3800 HD2 TYR A 279 40.489 114.944 1.461 1.00 22.72 H +ATOM 3801 HE1 TYR A 279 38.850 116.548 -2.916 1.00 22.39 H +ATOM 3802 HE2 TYR A 279 41.979 114.884 -0.500 1.00 22.58 H +ATOM 3803 HH TYR A 279 42.255 115.704 -2.646 1.00 23.03 H +ATOM 3804 N LEU A 280 37.894 112.945 2.808 1.00 22.45 N +ATOM 3805 CA LEU A 280 38.507 111.621 2.918 1.00 23.22 C +ATOM 3806 C LEU A 280 37.536 110.543 2.452 1.00 23.42 C +ATOM 3807 O LEU A 280 37.900 109.659 1.675 1.00 24.25 O +ATOM 3808 CB LEU A 280 38.935 111.336 4.360 1.00 23.14 C +ATOM 3809 CG LEU A 280 39.599 109.971 4.604 1.00 23.18 C +ATOM 3810 CD1 LEU A 280 40.831 109.828 3.717 1.00 21.79 C +ATOM 3811 CD2 LEU A 280 39.978 109.838 6.075 1.00 22.72 C +ATOM 3812 H LEU A 280 37.831 113.529 3.629 1.00 22.45 H +ATOM 3813 HA LEU A 280 39.391 111.592 2.281 1.00 23.22 H +ATOM 3814 HB3 LEU A 280 38.072 111.439 5.019 1.00 23.14 H +ATOM 3815 HB2 LEU A 280 39.604 112.127 4.700 1.00 23.14 H +ATOM 3816 HG LEU A 280 38.889 109.184 4.350 1.00 23.18 H +ATOM 3817 HD11 LEU A 280 41.296 108.858 3.895 1.00 21.79 H +ATOM 3818 HD12 LEU A 280 40.536 109.902 2.670 1.00 21.79 H +ATOM 3819 HD13 LEU A 280 41.542 110.620 3.951 1.00 21.79 H +ATOM 3820 HD21 LEU A 280 40.448 108.869 6.243 1.00 22.72 H +ATOM 3821 HD22 LEU A 280 40.675 110.631 6.345 1.00 22.72 H +ATOM 3822 HD23 LEU A 280 39.082 109.918 6.690 1.00 22.72 H +ATOM 3823 N LYS A 281 36.296 110.615 2.925 1.00 23.84 N +ATOM 3824 CA LYS A 281 35.289 109.642 2.526 1.00 24.65 C +ATOM 3825 C LYS A 281 34.921 109.851 1.059 1.00 23.87 C +ATOM 3826 O LYS A 281 34.658 108.895 0.331 1.00 23.55 O +ATOM 3827 CB LYS A 281 34.033 109.775 3.404 1.00 25.81 C +ATOM 3828 CG LYS A 281 32.922 108.785 3.048 1.00 27.89 C +ATOM 3829 CD LYS A 281 31.834 108.687 4.139 1.00 30.05 C +ATOM 3830 CE LYS A 281 30.807 109.824 4.075 1.00 31.35 C +ATOM 3831 NZ LYS A 281 31.179 111.056 4.848 1.00 31.90 N1+ +ATOM 3832 H LYS A 281 36.043 111.350 3.569 1.00 23.84 H +ATOM 3833 HA LYS A 281 35.699 108.640 2.648 1.00 24.65 H +ATOM 3834 HB3 LYS A 281 33.647 110.792 3.332 1.00 25.81 H +ATOM 3835 HB2 LYS A 281 34.309 109.648 4.451 1.00 25.81 H +ATOM 3836 HG3 LYS A 281 33.356 107.799 2.880 1.00 27.89 H +ATOM 3837 HG2 LYS A 281 32.463 109.079 2.104 1.00 27.89 H +ATOM 3838 HD3 LYS A 281 32.306 108.681 5.121 1.00 30.05 H +ATOM 3839 HD2 LYS A 281 31.320 107.730 4.053 1.00 30.05 H +ATOM 3840 HE3 LYS A 281 29.841 109.458 4.423 1.00 31.35 H +ATOM 3841 HE2 LYS A 281 30.630 110.092 3.033 1.00 31.35 H +ATOM 3842 HZ1 LYS A 281 30.361 111.636 4.972 1.00 31.90 H +ATOM 3843 HZ2 LYS A 281 31.543 110.790 5.752 1.00 31.90 H +ATOM 3844 HZ3 LYS A 281 31.883 111.572 4.340 1.00 31.90 H +ATOM 3845 N GLY A 282 34.917 111.108 0.632 1.00 24.50 N +ATOM 3846 CA GLY A 282 34.570 111.432 -0.741 1.00 24.46 C +ATOM 3847 C GLY A 282 35.485 110.841 -1.798 1.00 24.62 C +ATOM 3848 O GLY A 282 35.019 110.422 -2.857 1.00 24.67 O +ATOM 3849 H GLY A 282 35.158 111.858 1.265 1.00 24.50 H +ATOM 3850 HA3 GLY A 282 34.536 112.515 -0.858 1.00 24.46 H +ATOM 3851 HA2 GLY A 282 33.544 111.119 -0.936 1.00 24.46 H +ATOM 3852 N ILE A 283 36.785 110.794 -1.523 1.00 24.56 N +ATOM 3853 CA ILE A 283 37.722 110.258 -2.502 1.00 24.46 C +ATOM 3854 C ILE A 283 37.899 108.749 -2.418 1.00 24.88 C +ATOM 3855 O ILE A 283 38.607 108.171 -3.237 1.00 25.07 O +ATOM 3856 CB ILE A 283 39.116 110.921 -2.381 1.00 23.86 C +ATOM 3857 CG1 ILE A 283 39.755 110.586 -1.027 1.00 23.78 C +ATOM 3858 CG2 ILE A 283 38.983 112.425 -2.565 1.00 23.98 C +ATOM 3859 CD1 ILE A 283 41.165 111.160 -0.841 1.00 22.75 C +ATOM 3860 H ILE A 283 37.125 111.131 -0.634 1.00 24.56 H +ATOM 3861 HA ILE A 283 37.332 110.490 -3.493 1.00 24.46 H +ATOM 3862 HB ILE A 283 39.755 110.531 -3.173 1.00 23.86 H +ATOM 3863 HG13 ILE A 283 39.786 109.504 -0.900 1.00 23.78 H +ATOM 3864 HG12 ILE A 283 39.110 110.944 -0.224 1.00 23.78 H +ATOM 3865 HG21 ILE A 283 39.965 112.890 -2.480 1.00 23.98 H +ATOM 3866 HG22 ILE A 283 38.566 112.636 -3.549 1.00 23.98 H +ATOM 3867 HG23 ILE A 283 38.323 112.829 -1.797 1.00 23.98 H +ATOM 3868 HD11 ILE A 283 41.546 110.878 0.140 1.00 22.75 H +ATOM 3869 HD12 ILE A 283 41.824 110.764 -1.614 1.00 22.75 H +ATOM 3870 HD13 ILE A 283 41.128 112.247 -0.918 1.00 22.75 H +ATOM 3871 N LEU A 284 37.248 108.112 -1.446 1.00 24.92 N +ATOM 3872 CA LEU A 284 37.371 106.662 -1.281 1.00 25.29 C +ATOM 3873 C LEU A 284 36.057 105.883 -1.393 1.00 26.28 C +ATOM 3874 O LEU A 284 36.066 104.677 -1.650 1.00 25.77 O +ATOM 3875 CB LEU A 284 38.000 106.344 0.079 1.00 24.18 C +ATOM 3876 CG LEU A 284 39.357 106.963 0.414 1.00 24.45 C +ATOM 3877 CD1 LEU A 284 39.746 106.568 1.831 1.00 24.10 C +ATOM 3878 CD2 LEU A 284 40.408 106.505 -0.593 1.00 23.91 C +ATOM 3879 H LEU A 284 36.659 108.630 -0.810 1.00 24.92 H +ATOM 3880 HA LEU A 284 38.045 106.293 -2.055 1.00 25.29 H +ATOM 3881 HB3 LEU A 284 38.062 105.262 0.200 1.00 24.18 H +ATOM 3882 HB2 LEU A 284 37.290 106.594 0.868 1.00 24.18 H +ATOM 3883 HG LEU A 284 39.270 108.049 0.363 1.00 24.45 H +ATOM 3884 HD11 LEU A 284 40.713 107.005 2.079 1.00 24.10 H +ATOM 3885 HD12 LEU A 284 38.993 106.932 2.530 1.00 24.10 H +ATOM 3886 HD13 LEU A 284 39.810 105.482 1.901 1.00 24.10 H +ATOM 3887 HD21 LEU A 284 41.370 106.953 -0.344 1.00 23.91 H +ATOM 3888 HD22 LEU A 284 40.494 105.419 -0.560 1.00 23.91 H +ATOM 3889 HD23 LEU A 284 40.112 106.816 -1.595 1.00 23.91 H +ATOM 3890 N GLN A 285 34.935 106.573 -1.208 1.00 27.24 N +ATOM 3891 CA GLN A 285 33.621 105.933 -1.233 1.00 28.34 C +ATOM 3892 C GLN A 285 33.243 105.131 -2.473 1.00 29.16 C +ATOM 3893 O GLN A 285 32.669 104.053 -2.355 1.00 29.11 O +ATOM 3894 CB GLN A 285 32.526 106.970 -0.960 1.00 27.99 C +ATOM 3895 CG GLN A 285 32.562 108.162 -1.897 1.00 28.70 C +ATOM 3896 CD GLN A 285 31.524 109.215 -1.550 1.00 29.44 C +ATOM 3897 OE1 GLN A 285 31.213 110.069 -2.513 1.00 29.88 O +ATOM 3898 NE2 GLN A 285 31.021 109.269 -0.424 1.00 29.30 N +ATOM 3899 H GLN A 285 34.975 107.568 -1.044 1.00 27.24 H +ATOM 3900 HA GLN A 285 33.601 105.235 -0.396 1.00 28.34 H +ATOM 3901 HB3 GLN A 285 32.606 107.317 0.070 1.00 27.99 H +ATOM 3902 HB2 GLN A 285 31.549 106.490 -1.023 1.00 27.99 H +ATOM 3903 HG3 GLN A 285 32.405 107.823 -2.921 1.00 28.70 H +ATOM 3904 HG2 GLN A 285 33.555 108.611 -1.875 1.00 28.70 H +ATOM 3905 HE22 GLN A 285 30.332 109.977 -0.211 1.00 29.30 H +ATOM 3906 HE21 GLN A 285 31.299 108.606 0.286 1.00 29.30 H +ATOM 3907 N ASP A 286 33.551 105.646 -3.658 1.00 30.53 N +ATOM 3908 CA ASP A 286 33.178 104.941 -4.878 1.00 31.86 C +ATOM 3909 C ASP A 286 33.822 103.574 -5.035 1.00 32.00 C +ATOM 3910 O ASP A 286 33.197 102.647 -5.548 1.00 31.83 O +ATOM 3911 CB ASP A 286 33.473 105.799 -6.105 1.00 33.11 C +ATOM 3912 CG ASP A 286 32.647 107.071 -6.131 1.00 35.14 C +ATOM 3913 OD1 ASP A 286 31.463 107.030 -5.722 1.00 35.22 O +ATOM 3914 OD2 ASP A 286 33.182 108.108 -6.572 1.00 37.52 O1- +ATOM 3915 H ASP A 286 34.044 106.526 -3.713 1.00 30.53 H +ATOM 3916 HA ASP A 286 32.099 104.787 -4.844 1.00 31.86 H +ATOM 3917 HB3 ASP A 286 33.276 105.220 -7.008 1.00 33.11 H +ATOM 3918 HB2 ASP A 286 34.532 106.054 -6.122 1.00 33.11 H +ATOM 3919 N ARG A 287 35.070 103.443 -4.603 1.00 32.10 N +ATOM 3920 CA ARG A 287 35.749 102.161 -4.696 1.00 32.72 C +ATOM 3921 C ARG A 287 35.304 101.271 -3.546 1.00 31.97 C +ATOM 3922 O ARG A 287 35.232 100.053 -3.685 1.00 31.86 O +ATOM 3923 CB ARG A 287 37.263 102.360 -4.666 1.00 34.66 C +ATOM 3924 CG ARG A 287 37.812 102.867 -5.980 1.00 38.49 C +ATOM 3925 CD ARG A 287 37.665 101.796 -7.057 1.00 41.59 C +ATOM 3926 NE ARG A 287 37.751 102.348 -8.407 1.00 45.51 N +ATOM 3927 CZ ARG A 287 36.781 103.044 -8.995 1.00 47.35 C +ATOM 3928 NH1 ARG A 287 35.637 103.273 -8.358 1.00 47.97 N +ATOM 3929 NH2 ARG A 287 36.953 103.512 -10.227 1.00 48.21 N1+ +ATOM 3930 H ARG A 287 35.553 104.237 -4.206 1.00 32.10 H +ATOM 3931 HA ARG A 287 35.475 101.685 -5.638 1.00 32.72 H +ATOM 3932 HB3 ARG A 287 37.747 101.418 -4.410 1.00 34.66 H +ATOM 3933 HB2 ARG A 287 37.520 103.061 -3.871 1.00 34.66 H +ATOM 3934 HG3 ARG A 287 38.866 103.119 -5.860 1.00 38.49 H +ATOM 3935 HG2 ARG A 287 37.266 103.761 -6.281 1.00 38.49 H +ATOM 3936 HD3 ARG A 287 36.709 101.287 -6.934 1.00 41.59 H +ATOM 3937 HD2 ARG A 287 38.439 101.040 -6.925 1.00 41.59 H +ATOM 3938 HE ARG A 287 38.616 102.173 -8.897 1.00 45.51 H +ATOM 3939 HH12 ARG A 287 34.904 103.802 -8.809 1.00 47.97 H +ATOM 3940 HH11 ARG A 287 35.501 102.920 -7.421 1.00 47.97 H +ATOM 3941 HH22 ARG A 287 36.217 104.039 -10.674 1.00 48.21 H +ATOM 3942 HH21 ARG A 287 37.820 103.339 -10.716 1.00 48.21 H +ATOM 3943 N GLY A 288 34.982 101.891 -2.415 1.00 31.05 N +ATOM 3944 CA GLY A 288 34.545 101.136 -1.255 1.00 30.55 C +ATOM 3945 C GLY A 288 35.525 101.320 -0.117 1.00 30.49 C +ATOM 3946 O GLY A 288 36.713 101.003 -0.252 1.00 29.91 O +ATOM 3947 H GLY A 288 35.040 102.898 -2.357 1.00 31.05 H +ATOM 3948 HA3 GLY A 288 34.483 100.078 -1.513 1.00 30.55 H +ATOM 3949 HA2 GLY A 288 33.559 101.483 -0.946 1.00 30.55 H +ATOM 3950 N LEU A 289 35.034 101.835 1.005 1.00 29.82 N +ATOM 3951 CA LEU A 289 35.880 102.076 2.162 1.00 29.96 C +ATOM 3952 C LEU A 289 36.559 100.813 2.691 1.00 30.09 C +ATOM 3953 O LEU A 289 37.665 100.883 3.216 1.00 30.44 O +ATOM 3954 CB LEU A 289 35.072 102.741 3.281 1.00 29.82 C +ATOM 3955 CG LEU A 289 34.387 104.072 2.951 1.00 30.60 C +ATOM 3956 CD1 LEU A 289 33.715 104.608 4.203 1.00 29.69 C +ATOM 3957 CD2 LEU A 289 35.400 105.079 2.422 1.00 29.87 C +ATOM 3958 H LEU A 289 34.053 102.068 1.067 1.00 29.82 H +ATOM 3959 HA LEU A 289 36.663 102.772 1.860 1.00 29.96 H +ATOM 3960 HB3 LEU A 289 35.711 102.874 4.154 1.00 29.82 H +ATOM 3961 HB2 LEU A 289 34.327 102.037 3.652 1.00 29.82 H +ATOM 3962 HG LEU A 289 33.628 103.899 2.188 1.00 30.60 H +ATOM 3963 HD11 LEU A 289 33.225 105.555 3.976 1.00 29.69 H +ATOM 3964 HD12 LEU A 289 32.973 103.891 4.554 1.00 29.69 H +ATOM 3965 HD13 LEU A 289 34.464 104.764 4.980 1.00 29.69 H +ATOM 3966 HD21 LEU A 289 34.895 106.018 2.193 1.00 29.87 H +ATOM 3967 HD22 LEU A 289 36.167 105.255 3.176 1.00 29.87 H +ATOM 3968 HD23 LEU A 289 35.865 104.687 1.517 1.00 29.87 H +ATOM 3969 N SER A 290 35.910 99.660 2.551 1.00 30.14 N +ATOM 3970 CA SER A 290 36.498 98.413 3.034 1.00 30.65 C +ATOM 3971 C SER A 290 37.692 97.984 2.184 1.00 30.75 C +ATOM 3972 O SER A 290 38.417 97.060 2.546 1.00 31.50 O +ATOM 3973 CB SER A 290 35.456 97.292 3.038 1.00 29.95 C +ATOM 3974 OG SER A 290 35.079 96.946 1.720 1.00 30.19 O +ATOM 3975 H SER A 290 35.003 99.642 2.108 1.00 30.14 H +ATOM 3976 HA SER A 290 36.842 98.568 4.057 1.00 30.65 H +ATOM 3977 HB3 SER A 290 34.576 97.616 3.594 1.00 29.95 H +ATOM 3978 HB2 SER A 290 35.867 96.416 3.540 1.00 29.95 H +ATOM 3979 HG SER A 290 34.533 97.643 1.349 1.00 30.19 H +ATOM 3980 N LYS A 291 37.887 98.656 1.053 1.00 31.10 N +ATOM 3981 CA LYS A 291 38.993 98.351 0.144 1.00 31.25 C +ATOM 3982 C LYS A 291 40.342 98.846 0.658 1.00 30.68 C +ATOM 3983 O LYS A 291 41.384 98.507 0.097 1.00 31.39 O +ATOM 3984 CB LYS A 291 38.727 98.978 -1.230 1.00 32.17 C +ATOM 3985 CG LYS A 291 38.107 98.043 -2.256 1.00 33.31 C +ATOM 3986 CD LYS A 291 36.925 97.281 -1.698 1.00 34.50 C +ATOM 3987 CE LYS A 291 36.392 96.283 -2.715 1.00 35.08 C +ATOM 3988 NZ LYS A 291 35.423 95.339 -2.092 1.00 36.15 N1+ +ATOM 3989 H LYS A 291 37.260 99.405 0.797 1.00 31.10 H +ATOM 3990 HA LYS A 291 39.048 97.269 0.023 1.00 31.25 H +ATOM 3991 HB3 LYS A 291 39.657 99.383 -1.628 1.00 32.17 H +ATOM 3992 HB2 LYS A 291 38.090 99.854 -1.110 1.00 32.17 H +ATOM 3993 HG3 LYS A 291 38.861 97.337 -2.605 1.00 33.31 H +ATOM 3994 HG2 LYS A 291 37.789 98.618 -3.126 1.00 33.31 H +ATOM 3995 HD3 LYS A 291 36.135 97.983 -1.429 1.00 34.50 H +ATOM 3996 HD2 LYS A 291 37.228 96.752 -0.794 1.00 34.50 H +ATOM 3997 HE3 LYS A 291 37.223 95.721 -3.141 1.00 35.08 H +ATOM 3998 HE2 LYS A 291 35.904 96.820 -3.528 1.00 35.08 H +ATOM 3999 HZ1 LYS A 291 35.731 95.106 -1.158 1.00 36.15 H +ATOM 4000 HZ2 LYS A 291 34.512 95.772 -2.046 1.00 36.15 H +ATOM 4001 HZ3 LYS A 291 35.368 94.497 -2.647 1.00 36.15 H +ATOM 4002 N TYR A 292 40.328 99.642 1.721 1.00 30.05 N +ATOM 4003 CA TYR A 292 41.564 100.186 2.273 1.00 29.69 C +ATOM 4004 C TYR A 292 41.798 99.723 3.704 1.00 29.78 C +ATOM 4005 O TYR A 292 41.631 100.485 4.658 1.00 29.37 O +ATOM 4006 CB TYR A 292 41.523 101.713 2.197 1.00 28.78 C +ATOM 4007 CG TYR A 292 41.152 102.212 0.817 1.00 29.03 C +ATOM 4008 CD1 TYR A 292 39.817 102.305 0.421 1.00 28.64 C +ATOM 4009 CD2 TYR A 292 42.136 102.538 -0.115 1.00 28.28 C +ATOM 4010 CE1 TYR A 292 39.473 102.711 -0.866 1.00 28.98 C +ATOM 4011 CE2 TYR A 292 41.805 102.938 -1.401 1.00 28.33 C +ATOM 4012 CZ TYR A 292 40.474 103.025 -1.772 1.00 29.10 C +ATOM 4013 OH TYR A 292 40.149 103.428 -3.048 1.00 28.79 O +ATOM 4014 H TYR A 292 39.451 99.880 2.162 1.00 30.05 H +ATOM 4015 HA TYR A 292 42.395 99.836 1.660 1.00 29.69 H +ATOM 4016 HB3 TYR A 292 42.496 102.116 2.479 1.00 28.78 H +ATOM 4017 HB2 TYR A 292 40.805 102.093 2.924 1.00 28.78 H +ATOM 4018 HD1 TYR A 292 39.029 102.061 1.119 1.00 28.64 H +ATOM 4019 HD2 TYR A 292 43.179 102.481 0.159 1.00 28.28 H +ATOM 4020 HE1 TYR A 292 38.434 102.779 -1.151 1.00 28.98 H +ATOM 4021 HE2 TYR A 292 42.584 103.181 -2.108 1.00 28.33 H +ATOM 4022 HH TYR A 292 39.209 103.299 -3.195 1.00 28.79 H +ATOM 4023 N PRO A 293 42.225 98.460 3.864 1.00 30.34 N +ATOM 4024 CA PRO A 293 42.486 97.867 5.181 1.00 30.22 C +ATOM 4025 C PRO A 293 43.369 98.678 6.127 1.00 30.72 C +ATOM 4026 O PRO A 293 43.105 98.730 7.331 1.00 30.99 O +ATOM 4027 CB PRO A 293 43.075 96.497 4.835 1.00 30.34 C +ATOM 4028 CG PRO A 293 43.697 96.711 3.480 1.00 30.44 C +ATOM 4029 CD PRO A 293 42.676 97.568 2.781 1.00 30.05 C +ATOM 4030 HA PRO A 293 41.527 97.706 5.673 1.00 30.22 H +ATOM 4031 HB3 PRO A 293 42.268 95.769 4.750 1.00 30.34 H +ATOM 4032 HB2 PRO A 293 43.855 96.248 5.554 1.00 30.34 H +ATOM 4033 HG3 PRO A 293 43.776 95.754 2.965 1.00 30.44 H +ATOM 4034 HG2 PRO A 293 44.622 97.277 3.595 1.00 30.44 H +ATOM 4035 HD2 PRO A 293 43.171 98.160 2.012 1.00 30.05 H +ATOM 4036 HD3 PRO A 293 41.842 96.943 2.461 1.00 30.05 H +ATOM 4037 N ASN A 294 44.402 99.324 5.599 1.00 30.50 N +ATOM 4038 CA ASN A 294 45.284 100.105 6.454 1.00 30.99 C +ATOM 4039 C ASN A 294 44.602 101.320 7.059 1.00 31.24 C +ATOM 4040 O ASN A 294 44.956 101.755 8.160 1.00 30.87 O +ATOM 4041 CB ASN A 294 46.529 100.552 5.687 1.00 31.20 C +ATOM 4042 CG ASN A 294 47.370 99.384 5.223 1.00 32.19 C +ATOM 4043 OD1 ASN A 294 48.023 99.540 4.077 1.00 32.04 O +ATOM 4044 ND2 ASN A 294 47.441 98.355 5.893 1.00 32.09 N +ATOM 4045 H ASN A 294 44.575 99.274 4.606 1.00 30.50 H +ATOM 4046 HA ASN A 294 45.609 99.463 7.272 1.00 30.99 H +ATOM 4047 HB3 ASN A 294 47.131 101.202 6.321 1.00 31.20 H +ATOM 4048 HB2 ASN A 294 46.230 101.148 4.825 1.00 31.20 H +ATOM 4049 HD22 ASN A 294 48.006 97.582 5.573 1.00 32.09 H +ATOM 4050 HD21 ASN A 294 46.934 98.283 6.764 1.00 32.09 H +ATOM 4051 N LEU A 295 43.624 101.869 6.346 1.00 31.36 N +ATOM 4052 CA LEU A 295 42.914 103.040 6.842 1.00 31.48 C +ATOM 4053 C LEU A 295 42.157 102.714 8.121 1.00 31.33 C +ATOM 4054 O LEU A 295 42.163 103.503 9.065 1.00 31.09 O +ATOM 4055 CB LEU A 295 41.948 103.576 5.782 1.00 31.64 C +ATOM 4056 CG LEU A 295 41.172 104.834 6.187 1.00 31.49 C +ATOM 4057 CD1 LEU A 295 42.134 105.902 6.690 1.00 31.82 C +ATOM 4058 CD2 LEU A 295 40.382 105.348 4.996 1.00 31.53 C +ATOM 4059 H LEU A 295 43.368 101.475 5.452 1.00 31.36 H +ATOM 4060 HA LEU A 295 43.646 103.817 7.064 1.00 31.48 H +ATOM 4061 HB3 LEU A 295 41.244 102.791 5.507 1.00 31.64 H +ATOM 4062 HB2 LEU A 295 42.496 103.771 4.860 1.00 31.64 H +ATOM 4063 HG LEU A 295 40.478 104.579 6.988 1.00 31.49 H +ATOM 4064 HD11 LEU A 295 41.573 106.792 6.975 1.00 31.82 H +ATOM 4065 HD12 LEU A 295 42.678 105.523 7.555 1.00 31.82 H +ATOM 4066 HD13 LEU A 295 42.841 106.156 5.900 1.00 31.82 H +ATOM 4067 HD21 LEU A 295 39.830 106.243 5.285 1.00 31.53 H +ATOM 4068 HD22 LEU A 295 41.066 105.590 4.183 1.00 31.53 H +ATOM 4069 HD23 LEU A 295 39.682 104.581 4.666 1.00 31.53 H +ATOM 4070 N LEU A 296 41.519 101.549 8.158 1.00 31.65 N +ATOM 4071 CA LEU A 296 40.767 101.137 9.339 1.00 33.19 C +ATOM 4072 C LEU A 296 41.666 101.061 10.567 1.00 34.19 C +ATOM 4073 O LEU A 296 41.293 101.521 11.643 1.00 33.32 O +ATOM 4074 CB LEU A 296 40.100 99.776 9.106 1.00 32.54 C +ATOM 4075 CG LEU A 296 39.399 99.155 10.318 1.00 32.62 C +ATOM 4076 CD1 LEU A 296 38.340 100.103 10.858 1.00 31.79 C +ATOM 4077 CD2 LEU A 296 38.772 97.830 9.912 1.00 32.93 C +ATOM 4078 H LEU A 296 41.549 100.931 7.360 1.00 31.65 H +ATOM 4079 HA LEU A 296 39.988 101.876 9.526 1.00 33.19 H +ATOM 4080 HB3 LEU A 296 40.840 99.074 8.720 1.00 32.54 H +ATOM 4081 HB2 LEU A 296 39.390 99.860 8.283 1.00 32.54 H +ATOM 4082 HG LEU A 296 40.138 98.972 11.097 1.00 32.62 H +ATOM 4083 HD11 LEU A 296 37.850 99.648 11.719 1.00 31.79 H +ATOM 4084 HD12 LEU A 296 38.809 101.039 11.160 1.00 31.79 H +ATOM 4085 HD13 LEU A 296 37.600 100.301 10.082 1.00 31.79 H +ATOM 4086 HD21 LEU A 296 38.272 97.385 10.772 1.00 32.93 H +ATOM 4087 HD22 LEU A 296 38.045 97.999 9.118 1.00 32.93 H +ATOM 4088 HD23 LEU A 296 39.549 97.154 9.555 1.00 32.93 H +ATOM 4089 N ASN A 297 42.853 100.482 10.401 1.00 36.35 N +ATOM 4090 CA ASN A 297 43.794 100.361 11.511 1.00 38.46 C +ATOM 4091 C ASN A 297 44.304 101.716 11.971 1.00 39.08 C +ATOM 4092 O ASN A 297 44.383 101.984 13.169 1.00 38.68 O +ATOM 4093 CB ASN A 297 44.982 99.484 11.124 1.00 39.72 C +ATOM 4094 CG ASN A 297 44.585 98.053 10.881 1.00 41.40 C +ATOM 4095 OD1 ASN A 297 43.840 97.462 11.667 1.00 43.20 O +ATOM 4096 ND2 ASN A 297 45.084 97.477 9.794 1.00 42.42 N +ATOM 4097 H ASN A 297 43.115 100.118 9.497 1.00 36.35 H +ATOM 4098 HA ASN A 297 43.278 99.889 12.347 1.00 38.46 H +ATOM 4099 HB3 ASN A 297 45.733 99.522 11.913 1.00 39.72 H +ATOM 4100 HB2 ASN A 297 45.453 99.887 10.228 1.00 39.72 H +ATOM 4101 HD22 ASN A 297 44.852 96.517 9.580 1.00 42.42 H +ATOM 4102 HD21 ASN A 297 45.696 97.998 9.182 1.00 42.42 H +ATOM 4103 N GLN A 298 44.653 102.571 11.020 1.00 40.28 N +ATOM 4104 CA GLN A 298 45.149 103.887 11.371 1.00 42.29 C +ATOM 4105 C GLN A 298 44.086 104.715 12.085 1.00 42.95 C +ATOM 4106 O GLN A 298 44.403 105.516 12.960 1.00 43.74 O +ATOM 4107 CB GLN A 298 45.666 104.607 10.122 1.00 43.41 C +ATOM 4108 CG GLN A 298 46.944 103.974 9.578 1.00 45.55 C +ATOM 4109 CD GLN A 298 47.595 104.785 8.475 1.00 46.69 C +ATOM 4110 OE1 GLN A 298 47.766 106.001 8.597 1.00 47.58 O +ATOM 4111 NE2 GLN A 298 47.982 104.110 7.395 1.00 47.09 N +ATOM 4112 H GLN A 298 44.574 102.306 10.049 1.00 40.28 H +ATOM 4113 HA GLN A 298 45.988 103.758 12.054 1.00 42.29 H +ATOM 4114 HB3 GLN A 298 45.852 105.655 10.359 1.00 43.41 H +ATOM 4115 HB2 GLN A 298 44.897 104.591 9.350 1.00 43.41 H +ATOM 4116 HG3 GLN A 298 46.723 102.973 9.208 1.00 45.55 H +ATOM 4117 HG2 GLN A 298 47.655 103.836 10.393 1.00 45.55 H +ATOM 4118 HE22 GLN A 298 48.422 104.596 6.626 1.00 47.09 H +ATOM 4119 HE21 GLN A 298 47.836 103.112 7.343 1.00 47.09 H +ATOM 4120 N LEU A 299 42.823 104.520 11.725 1.00 43.44 N +ATOM 4121 CA LEU A 299 41.746 105.257 12.376 1.00 43.88 C +ATOM 4122 C LEU A 299 41.507 104.660 13.755 1.00 44.90 C +ATOM 4123 O LEU A 299 41.204 105.371 14.711 1.00 44.73 O +ATOM 4124 CB LEU A 299 40.459 105.181 11.549 1.00 42.84 C +ATOM 4125 CG LEU A 299 40.486 105.924 10.214 1.00 42.16 C +ATOM 4126 CD1 LEU A 299 39.135 105.818 9.526 1.00 41.08 C +ATOM 4127 CD2 LEU A 299 40.848 107.377 10.465 1.00 41.90 C +ATOM 4128 H LEU A 299 42.602 103.856 10.996 1.00 43.44 H +ATOM 4129 HA LEU A 299 42.041 106.301 12.484 1.00 43.88 H +ATOM 4130 HB3 LEU A 299 39.625 105.547 12.147 1.00 42.84 H +ATOM 4131 HB2 LEU A 299 40.205 104.136 11.374 1.00 42.84 H +ATOM 4132 HG LEU A 299 41.246 105.475 9.574 1.00 42.16 H +ATOM 4133 HD11 LEU A 299 39.168 106.352 8.576 1.00 41.08 H +ATOM 4134 HD12 LEU A 299 38.900 104.770 9.345 1.00 41.08 H +ATOM 4135 HD13 LEU A 299 38.367 106.258 10.163 1.00 41.08 H +ATOM 4136 HD21 LEU A 299 40.870 107.916 9.518 1.00 41.90 H +ATOM 4137 HD22 LEU A 299 40.105 107.829 11.123 1.00 41.90 H +ATOM 4138 HD23 LEU A 299 41.830 107.432 10.936 1.00 41.90 H +ATOM 4139 N LEU A 300 41.654 103.343 13.845 1.00 46.37 N +ATOM 4140 CA LEU A 300 41.465 102.629 15.098 1.00 48.29 C +ATOM 4141 C LEU A 300 42.505 103.043 16.141 1.00 50.05 C +ATOM 4142 O LEU A 300 42.212 103.074 17.335 1.00 50.24 O +ATOM 4143 CB LEU A 300 41.544 101.123 14.843 1.00 47.95 C +ATOM 4144 CG LEU A 300 40.279 100.282 15.037 1.00 48.05 C +ATOM 4145 CD1 LEU A 300 39.058 101.029 14.541 1.00 48.36 C +ATOM 4146 CD2 LEU A 300 40.441 98.962 14.301 1.00 47.77 C +ATOM 4147 H LEU A 300 41.905 102.805 13.028 1.00 46.37 H +ATOM 4148 HA LEU A 300 40.473 102.864 15.485 1.00 48.29 H +ATOM 4149 HB3 LEU A 300 42.349 100.701 15.445 1.00 47.95 H +ATOM 4150 HB2 LEU A 300 41.935 100.951 13.840 1.00 47.95 H +ATOM 4151 HG LEU A 300 40.155 100.077 16.101 1.00 48.05 H +ATOM 4152 HD11 LEU A 300 38.170 100.415 14.688 1.00 48.36 H +ATOM 4153 HD12 LEU A 300 38.951 101.961 15.096 1.00 48.36 H +ATOM 4154 HD13 LEU A 300 39.174 101.251 13.480 1.00 48.36 H +ATOM 4155 HD21 LEU A 300 39.544 98.358 14.435 1.00 47.77 H +ATOM 4156 HD22 LEU A 300 40.593 99.155 13.239 1.00 47.77 H +ATOM 4157 HD23 LEU A 300 41.302 98.426 14.700 1.00 47.77 H +ATOM 4158 N ASP A 301 43.717 103.366 15.696 1.00 52.04 N +ATOM 4159 CA ASP A 301 44.759 103.776 16.633 1.00 54.20 C +ATOM 4160 C ASP A 301 44.457 105.159 17.198 1.00 55.47 C +ATOM 4161 O ASP A 301 44.751 105.443 18.359 1.00 55.98 O +ATOM 4162 CB ASP A 301 46.141 103.789 15.960 1.00 54.64 C +ATOM 4163 CG ASP A 301 46.632 102.394 15.590 1.00 55.02 C +ATOM 4164 OD1 ASP A 301 46.342 101.440 16.341 1.00 55.30 O +ATOM 4165 OD2 ASP A 301 47.321 102.253 14.556 1.00 55.30 O1- +ATOM 4166 H ASP A 301 43.919 103.327 14.708 1.00 52.04 H +ATOM 4167 HA ASP A 301 44.783 103.064 17.458 1.00 54.20 H +ATOM 4168 HB3 ASP A 301 46.863 104.263 16.625 1.00 54.64 H +ATOM 4169 HB2 ASP A 301 46.102 104.408 15.064 1.00 54.64 H +ATOM 4170 N LEU A 302 43.866 106.016 16.373 1.00 56.68 N +ATOM 4171 CA LEU A 302 43.527 107.369 16.795 1.00 57.93 C +ATOM 4172 C LEU A 302 42.279 107.371 17.666 1.00 58.80 C +ATOM 4173 O LEU A 302 41.997 108.349 18.356 1.00 58.91 O +ATOM 4174 CB LEU A 302 43.291 108.249 15.573 1.00 57.99 C +ATOM 4175 CG LEU A 302 44.440 108.255 14.567 1.00 58.62 C +ATOM 4176 CD1 LEU A 302 44.067 109.119 13.371 1.00 58.67 C +ATOM 4177 CD2 LEU A 302 45.705 108.774 15.240 1.00 58.77 C +ATOM 4178 H LEU A 302 43.642 105.736 15.429 1.00 56.68 H +ATOM 4179 HA LEU A 302 44.358 107.778 17.369 1.00 57.93 H +ATOM 4180 HB3 LEU A 302 43.089 109.270 15.896 1.00 57.99 H +ATOM 4181 HB2 LEU A 302 42.375 107.935 15.072 1.00 57.99 H +ATOM 4182 HG LEU A 302 44.615 107.235 14.224 1.00 58.62 H +ATOM 4183 HD11 LEU A 302 44.888 109.122 12.654 1.00 58.67 H +ATOM 4184 HD12 LEU A 302 43.172 108.716 12.896 1.00 58.67 H +ATOM 4185 HD13 LEU A 302 43.873 110.139 13.704 1.00 58.67 H +ATOM 4186 HD21 LEU A 302 46.524 108.778 14.521 1.00 58.77 H +ATOM 4187 HD22 LEU A 302 45.535 109.788 15.602 1.00 58.77 H +ATOM 4188 HD23 LEU A 302 45.962 108.128 16.079 1.00 58.77 H +ATOM 4189 N GLN A 303 41.542 106.264 17.625 1.00 59.93 N +ATOM 4190 CA GLN A 303 40.307 106.105 18.385 1.00 61.14 C +ATOM 4191 C GLN A 303 40.336 106.755 19.771 1.00 61.94 C +ATOM 4192 O GLN A 303 39.594 107.699 20.033 1.00 62.09 O +ATOM 4193 CB GLN A 303 39.971 104.615 18.520 1.00 61.66 C +ATOM 4194 CG GLN A 303 38.677 104.174 17.861 1.00 62.36 C +ATOM 4195 CD GLN A 303 37.443 104.719 18.551 1.00 63.12 C +ATOM 4196 OE1 GLN A 303 36.326 104.266 18.292 1.00 63.61 O +ATOM 4197 NE2 GLN A 303 37.633 105.700 19.430 1.00 63.45 N +ATOM 4198 H GLN A 303 41.830 105.487 17.048 1.00 59.93 H +ATOM 4199 HA GLN A 303 39.505 106.575 17.816 1.00 61.14 H +ATOM 4200 HB3 GLN A 303 39.947 104.346 19.576 1.00 61.66 H +ATOM 4201 HB2 GLN A 303 40.797 104.023 18.126 1.00 61.66 H +ATOM 4202 HG3 GLN A 303 38.632 103.085 17.845 1.00 62.36 H +ATOM 4203 HG2 GLN A 303 38.677 104.488 16.817 1.00 62.36 H +ATOM 4204 HE22 GLN A 303 36.845 106.100 19.919 1.00 63.45 H +ATOM 4205 HE21 GLN A 303 38.565 106.045 19.609 1.00 63.45 H +ATOM 4206 N PRO A 304 41.200 106.265 20.677 1.00 62.54 N +ATOM 4207 CA PRO A 304 41.256 106.854 22.019 1.00 62.82 C +ATOM 4208 C PRO A 304 41.789 108.284 22.056 1.00 62.99 C +ATOM 4209 O PRO A 304 41.143 109.184 22.590 1.00 63.39 O +ATOM 4210 CB PRO A 304 42.170 105.894 22.782 1.00 62.91 C +ATOM 4211 CG PRO A 304 42.047 104.598 22.016 1.00 62.94 C +ATOM 4212 CD PRO A 304 42.076 105.083 20.598 1.00 62.61 C +ATOM 4213 HA PRO A 304 40.261 106.830 22.463 1.00 62.82 H +ATOM 4214 HB3 PRO A 304 41.783 105.754 23.791 1.00 62.91 H +ATOM 4215 HB2 PRO A 304 43.198 106.251 22.722 1.00 62.91 H +ATOM 4216 HG3 PRO A 304 41.074 104.152 22.222 1.00 62.94 H +ATOM 4217 HG2 PRO A 304 42.930 103.987 22.203 1.00 62.94 H +ATOM 4218 HD2 PRO A 304 43.088 105.405 20.350 1.00 62.61 H +ATOM 4219 HD3 PRO A 304 41.612 104.336 19.954 1.00 62.61 H +ATOM 4220 N SER A 305 42.969 108.478 21.480 1.00 63.05 N +ATOM 4221 CA SER A 305 43.630 109.780 21.467 1.00 63.04 C +ATOM 4222 C SER A 305 43.319 110.669 20.265 1.00 62.78 C +ATOM 4223 O SER A 305 44.232 111.274 19.697 1.00 63.02 O +ATOM 4224 CB SER A 305 45.142 109.574 21.529 1.00 63.64 C +ATOM 4225 OG SER A 305 45.592 108.869 20.380 1.00 64.17 O +ATOM 4226 H SER A 305 43.443 107.709 21.029 1.00 63.05 H +ATOM 4227 HA SER A 305 43.329 110.317 22.366 1.00 63.04 H +ATOM 4228 HB3 SER A 305 45.395 109.007 22.425 1.00 63.64 H +ATOM 4229 HB2 SER A 305 45.639 110.543 21.578 1.00 63.64 H +ATOM 4230 HG SER A 305 45.377 109.372 19.591 1.00 64.17 H +ATOM 4231 N HIS A 306 42.049 110.765 19.880 1.00 61.78 N +ATOM 4232 CA HIS A 306 41.672 111.598 18.737 1.00 60.39 C +ATOM 4233 C HIS A 306 40.209 111.421 18.364 1.00 58.68 C +ATOM 4234 O HIS A 306 39.728 112.032 17.408 1.00 58.78 O +ATOM 4235 CB HIS A 306 42.538 111.253 17.522 1.00 61.47 C +ATOM 4236 CG HIS A 306 43.385 112.390 17.039 1.00 62.70 C +ATOM 4237 ND1 HIS A 306 44.317 113.016 17.840 1.00 63.20 N +ATOM 4238 CD2 HIS A 306 43.456 112.999 15.832 1.00 63.23 C +ATOM 4239 CE1 HIS A 306 44.926 113.961 17.146 1.00 63.61 C +ATOM 4240 NE2 HIS A 306 44.423 113.972 15.924 1.00 63.58 N +ATOM 4241 H HIS A 306 41.331 110.259 20.378 1.00 61.78 H +ATOM 4242 HA HIS A 306 41.840 112.642 18.999 1.00 60.39 H +ATOM 4243 HB3 HIS A 306 41.899 110.908 16.709 1.00 61.47 H +ATOM 4244 HB2 HIS A 306 43.176 110.403 17.762 1.00 61.47 H +ATOM 4245 HD1 HIS A 306 44.439 112.721 18.798 1.00 63.20 H +ATOM 4246 HD2 HIS A 306 42.811 112.679 15.027 1.00 63.23 H +ATOM 4247 HE1 HIS A 306 45.694 114.562 17.610 1.00 63.61 H +ATOM 4248 N SER A 307 39.509 110.582 19.119 1.00 56.23 N +ATOM 4249 CA SER A 307 38.103 110.313 18.861 1.00 53.78 C +ATOM 4250 C SER A 307 37.286 111.562 18.568 1.00 52.00 C +ATOM 4251 O SER A 307 37.728 112.695 18.798 1.00 52.73 O +ATOM 4252 CB SER A 307 37.477 109.580 20.046 1.00 54.07 C +ATOM 4253 OG SER A 307 36.095 109.363 19.825 1.00 54.37 O +ATOM 4254 H SER A 307 39.952 110.112 19.896 1.00 56.23 H +ATOM 4255 HA SER A 307 38.040 109.659 17.991 1.00 53.78 H +ATOM 4256 HB3 SER A 307 37.611 110.172 20.951 1.00 54.07 H +ATOM 4257 HB2 SER A 307 37.977 108.622 20.186 1.00 54.07 H +ATOM 4258 HG SER A 307 35.600 110.135 20.108 1.00 54.37 H +ATOM 4259 N SER A 308 36.082 111.333 18.058 1.00 48.77 N +ATOM 4260 CA SER A 308 35.144 112.391 17.716 1.00 45.06 C +ATOM 4261 C SER A 308 34.019 111.705 16.964 1.00 42.66 C +ATOM 4262 O SER A 308 34.195 110.601 16.448 1.00 42.50 O +ATOM 4263 CB SER A 308 35.801 113.431 16.809 1.00 44.69 C +ATOM 4264 OG SER A 308 36.098 112.880 15.542 1.00 44.13 O +ATOM 4265 H SER A 308 35.777 110.385 17.890 1.00 48.77 H +ATOM 4266 HA SER A 308 34.761 112.864 18.620 1.00 45.06 H +ATOM 4267 HB3 SER A 308 36.720 113.789 17.274 1.00 44.69 H +ATOM 4268 HB2 SER A 308 35.130 114.281 16.688 1.00 44.69 H +ATOM 4269 HG SER A 308 36.863 113.326 15.170 1.00 44.13 H +ATOM 4270 N PRO A 309 32.842 112.338 16.898 1.00 40.12 N +ATOM 4271 CA PRO A 309 31.765 111.670 16.168 1.00 37.64 C +ATOM 4272 C PRO A 309 32.161 111.396 14.716 1.00 35.39 C +ATOM 4273 O PRO A 309 31.679 110.441 14.114 1.00 34.26 O +ATOM 4274 CB PRO A 309 30.595 112.648 16.303 1.00 37.90 C +ATOM 4275 CG PRO A 309 31.272 113.982 16.463 1.00 38.65 C +ATOM 4276 CD PRO A 309 32.415 113.658 17.390 1.00 39.49 C +ATOM 4277 HA PRO A 309 31.515 110.731 16.663 1.00 37.64 H +ATOM 4278 HB3 PRO A 309 30.036 112.417 17.210 1.00 37.90 H +ATOM 4279 HB2 PRO A 309 30.016 112.647 15.380 1.00 37.90 H +ATOM 4280 HG3 PRO A 309 30.591 114.673 16.960 1.00 38.65 H +ATOM 4281 HG2 PRO A 309 31.670 114.300 15.499 1.00 38.65 H +ATOM 4282 HD2 PRO A 309 33.219 114.377 17.232 1.00 39.49 H +ATOM 4283 HD3 PRO A 309 32.034 113.556 18.406 1.00 39.49 H +ATOM 4284 N TYR A 310 33.055 112.217 14.169 1.00 33.31 N +ATOM 4285 CA TYR A 310 33.496 112.043 12.786 1.00 32.27 C +ATOM 4286 C TYR A 310 34.286 110.749 12.600 1.00 30.94 C +ATOM 4287 O TYR A 310 34.086 110.027 11.628 1.00 30.55 O +ATOM 4288 CB TYR A 310 34.348 113.235 12.337 1.00 33.05 C +ATOM 4289 CG TYR A 310 33.736 114.571 12.679 1.00 34.02 C +ATOM 4290 CD1 TYR A 310 34.295 115.376 13.665 1.00 34.24 C +ATOM 4291 CD2 TYR A 310 32.552 114.993 12.075 1.00 34.57 C +ATOM 4292 CE1 TYR A 310 33.692 116.559 14.052 1.00 35.31 C +ATOM 4293 CE2 TYR A 310 31.934 116.183 12.458 1.00 35.49 C +ATOM 4294 CZ TYR A 310 32.512 116.959 13.451 1.00 35.81 C +ATOM 4295 OH TYR A 310 31.908 118.123 13.867 1.00 36.63 O +ATOM 4296 H TYR A 310 33.441 112.977 14.710 1.00 33.31 H +ATOM 4297 HA TYR A 310 32.612 111.996 12.149 1.00 32.27 H +ATOM 4298 HB3 TYR A 310 34.512 113.178 11.260 1.00 33.05 H +ATOM 4299 HB2 TYR A 310 35.337 113.164 12.789 1.00 33.05 H +ATOM 4300 HD1 TYR A 310 35.217 115.081 14.145 1.00 34.24 H +ATOM 4301 HD2 TYR A 310 32.100 114.395 11.297 1.00 34.57 H +ATOM 4302 HE1 TYR A 310 34.142 117.168 14.822 1.00 35.31 H +ATOM 4303 HE2 TYR A 310 31.015 116.492 11.982 1.00 35.49 H +ATOM 4304 HH TYR A 310 32.429 118.522 14.567 1.00 36.63 H +ATOM 4305 N LEU A 311 35.182 110.459 13.536 1.00 29.91 N +ATOM 4306 CA LEU A 311 35.992 109.246 13.465 1.00 29.25 C +ATOM 4307 C LEU A 311 35.119 108.008 13.662 1.00 27.97 C +ATOM 4308 O LEU A 311 35.215 107.038 12.904 1.00 27.08 O +ATOM 4309 CB LEU A 311 37.092 109.291 14.529 1.00 29.94 C +ATOM 4310 CG LEU A 311 37.987 108.063 14.713 1.00 31.28 C +ATOM 4311 CD1 LEU A 311 38.522 107.603 13.382 1.00 32.16 C +ATOM 4312 CD2 LEU A 311 39.143 108.418 15.639 1.00 32.74 C +ATOM 4313 H LEU A 311 35.315 111.084 14.319 1.00 29.91 H +ATOM 4314 HA LEU A 311 36.458 109.194 12.481 1.00 29.25 H +ATOM 4315 HB3 LEU A 311 36.648 109.555 15.489 1.00 29.94 H +ATOM 4316 HB2 LEU A 311 37.719 110.166 14.357 1.00 29.94 H +ATOM 4317 HG LEU A 311 37.403 107.258 15.161 1.00 31.28 H +ATOM 4318 HD11 LEU A 311 39.157 106.729 13.527 1.00 32.16 H +ATOM 4319 HD12 LEU A 311 37.691 107.344 12.726 1.00 32.16 H +ATOM 4320 HD13 LEU A 311 39.106 108.404 12.929 1.00 32.16 H +ATOM 4321 HD21 LEU A 311 39.783 107.545 15.773 1.00 32.74 H +ATOM 4322 HD22 LEU A 311 39.723 109.230 15.202 1.00 32.74 H +ATOM 4323 HD23 LEU A 311 38.751 108.731 16.607 1.00 32.74 H +ATOM 4324 N ILE A 312 34.265 108.057 14.680 1.00 26.89 N +ATOM 4325 CA ILE A 312 33.366 106.948 14.991 1.00 26.15 C +ATOM 4326 C ILE A 312 32.424 106.680 13.823 1.00 24.68 C +ATOM 4327 O ILE A 312 32.160 105.525 13.477 1.00 23.64 O +ATOM 4328 CB ILE A 312 32.512 107.247 16.249 1.00 26.35 C +ATOM 4329 CG1 ILE A 312 33.422 107.527 17.441 1.00 27.58 C +ATOM 4330 CG2 ILE A 312 31.603 106.056 16.565 1.00 25.78 C +ATOM 4331 CD1 ILE A 312 34.334 106.362 17.800 1.00 28.56 C +ATOM 4332 H ILE A 312 34.224 108.878 15.265 1.00 26.89 H +ATOM 4333 HA ILE A 312 33.961 106.054 15.175 1.00 26.15 H +ATOM 4334 HB ILE A 312 31.895 108.125 16.058 1.00 26.35 H +ATOM 4335 HG13 ILE A 312 32.813 107.790 18.306 1.00 27.58 H +ATOM 4336 HG12 ILE A 312 34.027 108.410 17.235 1.00 27.58 H +ATOM 4337 HG21 ILE A 312 31.008 106.278 17.450 1.00 25.78 H +ATOM 4338 HG22 ILE A 312 30.940 105.870 15.720 1.00 25.78 H +ATOM 4339 HG23 ILE A 312 32.213 105.172 16.750 1.00 25.78 H +ATOM 4340 HD11 ILE A 312 34.951 106.633 18.657 1.00 28.56 H +ATOM 4341 HD12 ILE A 312 33.729 105.490 18.051 1.00 28.56 H +ATOM 4342 HD13 ILE A 312 34.975 106.126 16.951 1.00 28.56 H +ATOM 4343 N ALA A 313 31.916 107.753 13.223 1.00 24.06 N +ATOM 4344 CA ALA A 313 31.002 107.634 12.091 1.00 23.14 C +ATOM 4345 C ALA A 313 31.736 107.027 10.897 1.00 23.10 C +ATOM 4346 O ALA A 313 31.185 106.200 10.168 1.00 22.37 O +ATOM 4347 CB ALA A 313 30.441 109.004 11.728 1.00 22.95 C +ATOM 4348 H ALA A 313 32.161 108.677 13.549 1.00 24.06 H +ATOM 4349 HA ALA A 313 30.178 106.977 12.370 1.00 23.14 H +ATOM 4350 HB1 ALA A 313 29.760 108.905 10.882 1.00 22.95 H +ATOM 4351 HB2 ALA A 313 29.902 109.414 12.582 1.00 22.95 H +ATOM 4352 HB3 ALA A 313 31.259 109.672 11.459 1.00 22.95 H +ATOM 4353 N PHE A 314 32.986 107.436 10.695 1.00 22.80 N +ATOM 4354 CA PHE A 314 33.757 106.903 9.581 1.00 22.86 C +ATOM 4355 C PHE A 314 33.953 105.397 9.792 1.00 22.73 C +ATOM 4356 O PHE A 314 33.887 104.617 8.844 1.00 23.10 O +ATOM 4357 CB PHE A 314 35.113 107.600 9.481 1.00 22.74 C +ATOM 4358 CG PHE A 314 35.749 107.492 8.121 1.00 23.04 C +ATOM 4359 CD1 PHE A 314 35.718 108.565 7.238 1.00 23.15 C +ATOM 4360 CD2 PHE A 314 36.366 106.314 7.717 1.00 23.36 C +ATOM 4361 CE1 PHE A 314 36.293 108.469 5.972 1.00 23.64 C +ATOM 4362 CE2 PHE A 314 36.944 106.205 6.451 1.00 23.64 C +ATOM 4363 CZ PHE A 314 36.907 107.287 5.577 1.00 23.89 C +ATOM 4364 H PHE A 314 33.401 108.116 11.316 1.00 22.80 H +ATOM 4365 HA PHE A 314 33.204 107.065 8.655 1.00 22.86 H +ATOM 4366 HB3 PHE A 314 35.788 107.187 10.230 1.00 22.74 H +ATOM 4367 HB2 PHE A 314 34.999 108.652 9.745 1.00 22.74 H +ATOM 4368 HD1 PHE A 314 35.243 109.491 7.529 1.00 23.15 H +ATOM 4369 HD2 PHE A 314 36.403 105.467 8.387 1.00 23.36 H +ATOM 4370 HE1 PHE A 314 36.261 109.313 5.299 1.00 23.64 H +ATOM 4371 HE2 PHE A 314 37.418 105.283 6.151 1.00 23.64 H +ATOM 4372 HZ PHE A 314 37.353 107.212 4.597 1.00 23.89 H +ATOM 4373 N LEU A 315 34.181 104.989 11.038 1.00 22.38 N +ATOM 4374 CA LEU A 315 34.366 103.569 11.346 1.00 22.63 C +ATOM 4375 C LEU A 315 33.118 102.772 10.967 1.00 22.52 C +ATOM 4376 O LEU A 315 33.212 101.662 10.437 1.00 22.47 O +ATOM 4377 CB LEU A 315 34.668 103.367 12.838 1.00 22.54 C +ATOM 4378 CG LEU A 315 36.042 103.820 13.349 1.00 23.71 C +ATOM 4379 CD1 LEU A 315 36.164 103.552 14.848 1.00 23.24 C +ATOM 4380 CD2 LEU A 315 37.137 103.076 12.595 1.00 23.63 C +ATOM 4381 H LEU A 315 34.229 105.662 11.789 1.00 22.38 H +ATOM 4382 HA LEU A 315 35.209 103.194 10.766 1.00 22.63 H +ATOM 4383 HB3 LEU A 315 34.519 102.318 13.094 1.00 22.54 H +ATOM 4384 HB2 LEU A 315 33.890 103.849 13.430 1.00 22.54 H +ATOM 4385 HG LEU A 315 36.152 104.890 13.170 1.00 23.71 H +ATOM 4386 HD11 LEU A 315 37.143 103.878 15.198 1.00 23.24 H +ATOM 4387 HD12 LEU A 315 35.387 104.101 15.381 1.00 23.24 H +ATOM 4388 HD13 LEU A 315 36.048 102.484 15.037 1.00 23.24 H +ATOM 4389 HD21 LEU A 315 38.113 103.399 12.958 1.00 23.63 H +ATOM 4390 HD22 LEU A 315 37.026 102.004 12.756 1.00 23.63 H +ATOM 4391 HD23 LEU A 315 37.057 103.293 11.529 1.00 23.63 H +ATOM 4392 N VAL A 316 31.945 103.333 11.243 1.00 21.96 N +ATOM 4393 CA VAL A 316 30.709 102.645 10.904 1.00 22.25 C +ATOM 4394 C VAL A 316 30.608 102.521 9.384 1.00 22.79 C +ATOM 4395 O VAL A 316 30.212 101.474 8.872 1.00 22.36 O +ATOM 4396 CB VAL A 316 29.473 103.391 11.456 1.00 21.70 C +ATOM 4397 CG1 VAL A 316 28.188 102.719 10.974 1.00 20.86 C +ATOM 4398 CG2 VAL A 316 29.515 103.390 12.979 1.00 22.20 C +ATOM 4399 H VAL A 316 31.911 104.239 11.690 1.00 21.96 H +ATOM 4400 HA VAL A 316 30.736 101.644 11.336 1.00 22.25 H +ATOM 4401 HB VAL A 316 29.491 104.421 11.101 1.00 21.70 H +ATOM 4402 HG11 VAL A 316 27.326 103.255 11.371 1.00 20.86 H +ATOM 4403 HG12 VAL A 316 28.156 102.735 9.885 1.00 20.86 H +ATOM 4404 HG13 VAL A 316 28.165 101.686 11.323 1.00 20.86 H +ATOM 4405 HG21 VAL A 316 28.643 103.916 13.368 1.00 22.20 H +ATOM 4406 HG22 VAL A 316 29.510 102.362 13.343 1.00 22.20 H +ATOM 4407 HG23 VAL A 316 30.422 103.890 13.319 1.00 22.20 H +ATOM 4408 N ASP A 317 30.976 103.585 8.669 1.00 23.60 N +ATOM 4409 CA ASP A 317 30.936 103.565 7.209 1.00 24.87 C +ATOM 4410 C ASP A 317 31.830 102.440 6.686 1.00 24.69 C +ATOM 4411 O ASP A 317 31.478 101.751 5.728 1.00 24.49 O +ATOM 4412 CB ASP A 317 31.414 104.896 6.623 1.00 27.16 C +ATOM 4413 CG ASP A 317 30.592 106.080 7.092 1.00 30.07 C +ATOM 4414 OD1 ASP A 317 29.348 105.972 7.146 1.00 31.68 O +ATOM 4415 OD2 ASP A 317 31.195 107.134 7.393 1.00 32.43 O1- +ATOM 4416 H ASP A 317 31.290 104.423 9.136 1.00 23.60 H +ATOM 4417 HA ASP A 317 29.911 103.383 6.885 1.00 24.87 H +ATOM 4418 HB3 ASP A 317 31.385 104.844 5.535 1.00 27.16 H +ATOM 4419 HB2 ASP A 317 32.459 105.054 6.888 1.00 27.16 H +ATOM 4420 N ILE A 318 32.991 102.260 7.312 1.00 24.55 N +ATOM 4421 CA ILE A 318 33.909 101.199 6.905 1.00 25.16 C +ATOM 4422 C ILE A 318 33.255 99.840 7.165 1.00 25.73 C +ATOM 4423 O ILE A 318 33.230 98.969 6.296 1.00 25.55 O +ATOM 4424 CB ILE A 318 35.257 101.273 7.683 1.00 24.94 C +ATOM 4425 CG1 ILE A 318 36.017 102.545 7.298 1.00 24.69 C +ATOM 4426 CG2 ILE A 318 36.118 100.053 7.372 1.00 24.57 C +ATOM 4427 CD1 ILE A 318 37.339 102.741 8.040 1.00 24.11 C +ATOM 4428 H ILE A 318 33.249 102.863 8.080 1.00 24.55 H +ATOM 4429 HA ILE A 318 34.111 101.296 5.838 1.00 25.16 H +ATOM 4430 HB ILE A 318 35.048 101.295 8.753 1.00 24.94 H +ATOM 4431 HG13 ILE A 318 35.378 103.412 7.465 1.00 24.69 H +ATOM 4432 HG12 ILE A 318 36.202 102.544 6.224 1.00 24.69 H +ATOM 4433 HG21 ILE A 318 37.056 100.119 7.923 1.00 24.57 H +ATOM 4434 HG22 ILE A 318 35.587 99.148 7.666 1.00 24.57 H +ATOM 4435 HG23 ILE A 318 36.327 100.019 6.303 1.00 24.57 H +ATOM 4436 HD11 ILE A 318 37.810 103.665 7.706 1.00 24.11 H +ATOM 4437 HD12 ILE A 318 37.150 102.797 9.112 1.00 24.11 H +ATOM 4438 HD13 ILE A 318 38.001 101.901 7.832 1.00 24.11 H +ATOM 4439 N TYR A 319 32.719 99.662 8.366 1.00 26.43 N +ATOM 4440 CA TYR A 319 32.074 98.403 8.711 1.00 27.20 C +ATOM 4441 C TYR A 319 30.913 98.090 7.773 1.00 27.94 C +ATOM 4442 O TYR A 319 30.702 96.932 7.411 1.00 27.44 O +ATOM 4443 CB TYR A 319 31.608 98.447 10.166 1.00 27.39 C +ATOM 4444 CG TYR A 319 32.763 98.416 11.148 1.00 28.33 C +ATOM 4445 CD1 TYR A 319 32.676 99.064 12.380 1.00 28.69 C +ATOM 4446 CD2 TYR A 319 33.949 97.749 10.837 1.00 28.42 C +ATOM 4447 CE1 TYR A 319 33.746 99.054 13.277 1.00 29.64 C +ATOM 4448 CE2 TYR A 319 35.025 97.732 11.727 1.00 29.36 C +ATOM 4449 CZ TYR A 319 34.916 98.388 12.940 1.00 29.85 C +ATOM 4450 OH TYR A 319 35.982 98.396 13.811 1.00 31.21 O +ATOM 4451 H TYR A 319 32.756 100.404 9.050 1.00 26.43 H +ATOM 4452 HA TYR A 319 32.812 97.606 8.616 1.00 27.20 H +ATOM 4453 HB3 TYR A 319 30.945 97.604 10.360 1.00 27.39 H +ATOM 4454 HB2 TYR A 319 31.017 99.348 10.330 1.00 27.39 H +ATOM 4455 HD1 TYR A 319 31.770 99.585 12.653 1.00 28.69 H +ATOM 4456 HD2 TYR A 319 34.047 97.233 9.893 1.00 28.42 H +ATOM 4457 HE1 TYR A 319 33.660 99.563 14.226 1.00 29.64 H +ATOM 4458 HE2 TYR A 319 35.933 97.209 11.466 1.00 29.36 H +ATOM 4459 HH TYR A 319 35.752 98.901 14.595 1.00 31.21 H +ATOM 4460 N GLU A 320 30.170 99.121 7.376 1.00 28.47 N +ATOM 4461 CA GLU A 320 29.042 98.952 6.460 1.00 29.43 C +ATOM 4462 C GLU A 320 29.511 98.350 5.144 1.00 28.72 C +ATOM 4463 O GLU A 320 28.929 97.382 4.645 1.00 28.36 O +ATOM 4464 CB GLU A 320 28.394 100.295 6.135 1.00 30.84 C +ATOM 4465 CG GLU A 320 27.491 100.872 7.197 1.00 34.78 C +ATOM 4466 CD GLU A 320 27.040 102.279 6.838 1.00 36.51 C +ATOM 4467 OE1 GLU A 320 27.016 102.602 5.629 1.00 37.22 O +ATOM 4468 OE2 GLU A 320 26.703 103.056 7.758 1.00 37.83 O1- +ATOM 4469 H GLU A 320 30.379 100.052 7.708 1.00 28.47 H +ATOM 4470 HA GLU A 320 28.302 98.294 6.915 1.00 29.43 H +ATOM 4471 HB3 GLU A 320 27.841 100.210 5.200 1.00 30.84 H +ATOM 4472 HB2 GLU A 320 29.171 101.020 5.892 1.00 30.84 H +ATOM 4473 HG3 GLU A 320 28.019 100.892 8.150 1.00 34.78 H +ATOM 4474 HG2 GLU A 320 26.618 100.231 7.318 1.00 34.78 H +ATOM 4475 N ASP A 321 30.553 98.950 4.578 1.00 28.17 N +ATOM 4476 CA ASP A 321 31.094 98.489 3.310 1.00 28.39 C +ATOM 4477 C ASP A 321 31.684 97.090 3.441 1.00 27.94 C +ATOM 4478 O ASP A 321 31.525 96.265 2.544 1.00 27.19 O +ATOM 4479 CB ASP A 321 32.155 99.461 2.790 1.00 28.66 C +ATOM 4480 CG ASP A 321 32.477 99.226 1.329 1.00 29.27 C +ATOM 4481 OD1 ASP A 321 31.540 99.312 0.510 1.00 29.39 O +ATOM 4482 OD2 ASP A 321 33.652 98.956 0.996 1.00 29.85 O1- +ATOM 4483 H ASP A 321 30.985 99.744 5.029 1.00 28.17 H +ATOM 4484 HA ASP A 321 30.281 98.451 2.585 1.00 28.39 H +ATOM 4485 HB3 ASP A 321 33.064 99.356 3.383 1.00 28.66 H +ATOM 4486 HB2 ASP A 321 31.806 100.484 2.925 1.00 28.66 H +ATOM 4487 N MET A 322 32.354 96.825 4.560 1.00 28.44 N +ATOM 4488 CA MET A 322 32.945 95.514 4.802 1.00 29.62 C +ATOM 4489 C MET A 322 31.877 94.429 4.755 1.00 29.99 C +ATOM 4490 O MET A 322 32.045 93.419 4.077 1.00 29.50 O +ATOM 4491 CB MET A 322 33.643 95.470 6.167 1.00 30.13 C +ATOM 4492 CG MET A 322 34.995 96.178 6.211 1.00 32.05 C +ATOM 4493 SD MET A 322 35.816 96.031 7.814 1.00 32.51 S +ATOM 4494 CE MET A 322 35.935 94.252 7.942 1.00 32.42 C +ATOM 4495 H MET A 322 32.462 97.541 5.265 1.00 28.44 H +ATOM 4496 HA MET A 322 33.683 95.313 4.025 1.00 29.62 H +ATOM 4497 HB3 MET A 322 33.769 94.432 6.475 1.00 30.13 H +ATOM 4498 HB2 MET A 322 32.986 95.901 6.923 1.00 30.13 H +ATOM 4499 HG3 MET A 322 34.860 97.232 5.969 1.00 32.05 H +ATOM 4500 HG2 MET A 322 35.642 95.771 5.434 1.00 32.05 H +ATOM 4501 HE1 MET A 322 36.421 93.986 8.880 1.00 32.42 H +ATOM 4502 HE2 MET A 322 34.936 93.817 7.915 1.00 32.42 H +ATOM 4503 HE3 MET A 322 36.521 93.865 7.107 1.00 32.42 H +ATOM 4504 N LEU A 323 30.784 94.645 5.479 1.00 30.59 N +ATOM 4505 CA LEU A 323 29.687 93.685 5.530 1.00 32.59 C +ATOM 4506 C LEU A 323 29.032 93.498 4.170 1.00 34.41 C +ATOM 4507 O LEU A 323 28.492 92.439 3.868 1.00 34.04 O +ATOM 4508 CB LEU A 323 28.632 94.147 6.538 1.00 31.15 C +ATOM 4509 CG LEU A 323 29.073 94.161 8.000 1.00 30.37 C +ATOM 4510 CD1 LEU A 323 28.077 94.954 8.831 1.00 29.67 C +ATOM 4511 CD2 LEU A 323 29.198 92.731 8.501 1.00 29.77 C +ATOM 4512 H LEU A 323 30.694 95.496 6.016 1.00 30.59 H +ATOM 4513 HA LEU A 323 30.083 92.725 5.859 1.00 32.59 H +ATOM 4514 HB3 LEU A 323 27.741 93.527 6.436 1.00 31.15 H +ATOM 4515 HB2 LEU A 323 28.279 95.140 6.259 1.00 31.15 H +ATOM 4516 HG LEU A 323 30.048 94.643 8.067 1.00 30.37 H +ATOM 4517 HD11 LEU A 323 28.396 94.960 9.873 1.00 29.67 H +ATOM 4518 HD12 LEU A 323 28.027 95.978 8.460 1.00 29.67 H +ATOM 4519 HD13 LEU A 323 27.092 94.493 8.756 1.00 29.67 H +ATOM 4520 HD21 LEU A 323 29.513 92.738 9.545 1.00 29.77 H +ATOM 4521 HD22 LEU A 323 28.234 92.230 8.416 1.00 29.77 H +ATOM 4522 HD23 LEU A 323 29.937 92.199 7.902 1.00 29.77 H +ATOM 4523 N GLU A 324 29.084 94.544 3.358 1.00 37.20 N +ATOM 4524 CA GLU A 324 28.495 94.527 2.030 1.00 40.02 C +ATOM 4525 C GLU A 324 29.364 93.729 1.065 1.00 41.38 C +ATOM 4526 O GLU A 324 28.928 93.371 -0.026 1.00 41.20 O +ATOM 4527 CB GLU A 324 28.362 95.960 1.521 1.00 41.40 C +ATOM 4528 CG GLU A 324 27.282 96.156 0.491 1.00 44.23 C +ATOM 4529 CD GLU A 324 25.902 95.994 1.087 1.00 45.47 C +ATOM 4530 OE1 GLU A 324 25.602 96.700 2.072 1.00 46.94 O +ATOM 4531 OE2 GLU A 324 25.120 95.167 0.573 1.00 46.67 O1- +ATOM 4532 H GLU A 324 29.545 95.392 3.656 1.00 37.20 H +ATOM 4533 HA GLU A 324 27.506 94.072 2.082 1.00 40.02 H +ATOM 4534 HB3 GLU A 324 29.317 96.287 1.110 1.00 41.40 H +ATOM 4535 HB2 GLU A 324 28.183 96.628 2.364 1.00 41.40 H +ATOM 4536 HG3 GLU A 324 27.416 95.436 -0.316 1.00 44.23 H +ATOM 4537 HG2 GLU A 324 27.374 97.151 0.054 1.00 44.23 H +ATOM 4538 N ASN A 325 30.599 93.453 1.473 1.00 43.39 N +ATOM 4539 CA ASN A 325 31.535 92.719 0.630 1.00 45.55 C +ATOM 4540 C ASN A 325 31.968 91.364 1.161 1.00 47.09 C +ATOM 4541 O ASN A 325 33.102 90.939 0.937 1.00 47.80 O +ATOM 4542 CB ASN A 325 32.768 93.580 0.366 1.00 45.55 C +ATOM 4543 CG ASN A 325 32.499 94.666 -0.646 1.00 46.06 C +ATOM 4544 OD1 ASN A 325 32.325 94.385 -1.832 1.00 46.64 O +ATOM 4545 ND2 ASN A 325 32.445 95.913 -0.187 1.00 45.93 N +ATOM 4546 H ASN A 325 30.908 93.754 2.387 1.00 43.39 H +ATOM 4547 HA ASN A 325 31.045 92.551 -0.329 1.00 45.55 H +ATOM 4548 HB3 ASN A 325 33.582 92.948 0.012 1.00 45.55 H +ATOM 4549 HB2 ASN A 325 33.102 94.031 1.301 1.00 45.55 H +ATOM 4550 HD22 ASN A 325 32.268 96.677 -0.823 1.00 45.93 H +ATOM 4551 HD21 ASN A 325 32.581 96.095 0.797 1.00 45.93 H +ATOM 4552 N GLN A 326 31.067 90.687 1.862 1.00 48.58 N +ATOM 4553 CA GLN A 326 31.357 89.364 2.400 1.00 50.39 C +ATOM 4554 C GLN A 326 32.690 89.319 3.134 1.00 50.62 C +ATOM 4555 O GLN A 326 33.572 88.536 2.790 1.00 50.62 O +ATOM 4556 CB GLN A 326 31.368 88.336 1.267 1.00 51.59 C +ATOM 4557 CG GLN A 326 30.161 88.418 0.340 1.00 53.43 C +ATOM 4558 CD GLN A 326 28.860 88.633 1.092 1.00 54.38 C +ATOM 4559 OE1 GLN A 326 28.554 89.750 1.529 1.00 54.62 O +ATOM 4560 NE2 GLN A 326 28.088 87.561 1.259 1.00 55.05 N +ATOM 4561 H GLN A 326 30.155 91.087 2.033 1.00 48.58 H +ATOM 4562 HA GLN A 326 30.567 89.096 3.102 1.00 50.39 H +ATOM 4563 HB3 GLN A 326 31.431 87.333 1.690 1.00 51.59 H +ATOM 4564 HB2 GLN A 326 32.281 88.452 0.683 1.00 51.59 H +ATOM 4565 HG3 GLN A 326 30.093 87.503 -0.248 1.00 53.43 H +ATOM 4566 HG2 GLN A 326 30.306 89.230 -0.372 1.00 53.43 H +ATOM 4567 HE22 GLN A 326 27.210 87.643 1.752 1.00 55.05 H +ATOM 4568 HE21 GLN A 326 28.380 86.666 0.893 1.00 55.05 H +ATOM 4569 N CYS A 327 32.832 90.159 4.151 1.00 51.12 N +ATOM 4570 CA CYS A 327 34.065 90.204 4.921 1.00 51.31 C +ATOM 4571 C CYS A 327 34.164 88.994 5.837 1.00 51.51 C +ATOM 4572 O CYS A 327 33.189 88.263 6.036 1.00 51.14 O +ATOM 4573 CB CYS A 327 34.114 91.476 5.767 1.00 51.41 C +ATOM 4574 SG CYS A 327 32.881 91.514 7.091 1.00 50.74 S +ATOM 4575 H CYS A 327 32.077 90.781 4.401 1.00 51.12 H +ATOM 4576 HA CYS A 327 34.912 90.201 4.235 1.00 51.31 H +ATOM 4577 HB3 CYS A 327 33.980 92.344 5.123 1.00 51.41 H +ATOM 4578 HB2 CYS A 327 35.110 91.586 6.197 1.00 51.41 H +ATOM 4579 HG CYS A 327 33.078 90.480 7.914 1.00 50.74 H +ATOM 4580 N ASP A 328 35.355 88.788 6.391 1.00 51.62 N +ATOM 4581 CA ASP A 328 35.591 87.687 7.310 1.00 51.46 C +ATOM 4582 C ASP A 328 35.112 88.162 8.680 1.00 50.51 C +ATOM 4583 O ASP A 328 35.114 89.364 8.957 1.00 50.43 O +ATOM 4584 CB ASP A 328 37.083 87.362 7.367 1.00 52.99 C +ATOM 4585 CG ASP A 328 37.362 85.883 7.216 1.00 54.50 C +ATOM 4586 OD1 ASP A 328 36.788 85.085 7.991 1.00 55.43 O +ATOM 4587 OD2 ASP A 328 38.158 85.518 6.321 1.00 55.25 O1- +ATOM 4588 H ASP A 328 36.125 89.406 6.177 1.00 51.62 H +ATOM 4589 HA ASP A 328 35.026 86.809 6.998 1.00 51.46 H +ATOM 4590 HB3 ASP A 328 37.494 87.713 8.314 1.00 52.99 H +ATOM 4591 HB2 ASP A 328 37.604 87.911 6.583 1.00 52.99 H +ATOM 4592 N ASN A 329 34.697 87.228 9.530 1.00 49.09 N +ATOM 4593 CA ASN A 329 34.221 87.583 10.863 1.00 47.73 C +ATOM 4594 C ASN A 329 33.021 88.520 10.783 1.00 45.87 C +ATOM 4595 O ASN A 329 32.964 89.533 11.477 1.00 45.03 O +ATOM 4596 CB ASN A 329 35.341 88.254 11.663 1.00 49.00 C +ATOM 4597 CG ASN A 329 36.566 87.371 11.799 1.00 50.51 C +ATOM 4598 OD1 ASN A 329 36.481 86.236 12.283 1.00 51.28 O +ATOM 4599 ND2 ASN A 329 37.717 87.886 11.375 1.00 50.75 N +ATOM 4600 H ASN A 329 34.708 86.256 9.257 1.00 49.09 H +ATOM 4601 HA ASN A 329 33.920 86.672 11.380 1.00 47.73 H +ATOM 4602 HB3 ASN A 329 34.971 88.516 12.654 1.00 49.00 H +ATOM 4603 HB2 ASN A 329 35.621 89.189 11.179 1.00 49.00 H +ATOM 4604 HD22 ASN A 329 38.567 87.345 11.440 1.00 50.75 H +ATOM 4605 HD21 ASN A 329 37.740 88.819 10.987 1.00 50.75 H +ATOM 4606 N LYS A 330 32.070 88.162 9.927 1.00 44.22 N +ATOM 4607 CA LYS A 330 30.853 88.939 9.714 1.00 42.77 C +ATOM 4608 C LYS A 330 30.170 89.297 11.032 1.00 41.37 C +ATOM 4609 O LYS A 330 29.872 90.463 11.290 1.00 40.35 O +ATOM 4610 CB LYS A 330 29.880 88.137 8.849 1.00 43.58 C +ATOM 4611 CG LYS A 330 29.007 88.962 7.923 1.00 45.12 C +ATOM 4612 CD LYS A 330 29.845 89.618 6.823 1.00 46.79 C +ATOM 4613 CE LYS A 330 29.128 89.597 5.470 1.00 47.19 C +ATOM 4614 NZ LYS A 330 27.762 90.192 5.524 1.00 48.26 N1+ +ATOM 4615 H LYS A 330 32.171 87.315 9.385 1.00 44.22 H +ATOM 4616 HA LYS A 330 31.111 89.859 9.191 1.00 42.77 H +ATOM 4617 HB3 LYS A 330 29.247 87.525 9.491 1.00 43.58 H +ATOM 4618 HB2 LYS A 330 30.437 87.406 8.262 1.00 43.58 H +ATOM 4619 HG3 LYS A 330 28.495 89.733 8.498 1.00 45.12 H +ATOM 4620 HG2 LYS A 330 28.251 88.320 7.469 1.00 45.12 H +ATOM 4621 HD3 LYS A 330 30.799 89.098 6.736 1.00 46.79 H +ATOM 4622 HD2 LYS A 330 30.065 90.648 7.101 1.00 46.79 H +ATOM 4623 HE3 LYS A 330 29.062 88.570 5.111 1.00 47.19 H +ATOM 4624 HE2 LYS A 330 29.728 90.133 4.735 1.00 47.19 H +ATOM 4625 HZ1 LYS A 330 27.825 91.155 5.822 1.00 48.26 H +ATOM 4626 HZ2 LYS A 330 27.340 90.151 4.607 1.00 48.26 H +ATOM 4627 HZ3 LYS A 330 27.194 89.674 6.178 1.00 48.26 H +ATOM 4628 N GLU A 331 29.919 88.287 11.861 1.00 39.93 N +ATOM 4629 CA GLU A 331 29.258 88.504 13.141 1.00 39.12 C +ATOM 4630 C GLU A 331 29.984 89.529 14.002 1.00 37.73 C +ATOM 4631 O GLU A 331 29.353 90.383 14.623 1.00 37.23 O +ATOM 4632 CB GLU A 331 29.139 87.190 13.921 1.00 40.27 C +ATOM 4633 CG GLU A 331 28.228 86.149 13.292 1.00 42.25 C +ATOM 4634 CD GLU A 331 26.836 86.685 12.980 1.00 43.96 C +ATOM 4635 OE1 GLU A 331 26.298 87.486 13.776 1.00 44.79 O +ATOM 4636 OE2 GLU A 331 26.272 86.291 11.937 1.00 44.88 O1- +ATOM 4637 H GLU A 331 30.188 87.347 11.608 1.00 39.93 H +ATOM 4638 HA GLU A 331 28.252 88.876 12.946 1.00 39.12 H +ATOM 4639 HB3 GLU A 331 28.799 87.401 14.934 1.00 40.27 H +ATOM 4640 HB2 GLU A 331 30.132 86.762 14.060 1.00 40.27 H +ATOM 4641 HG3 GLU A 331 28.145 85.291 13.958 1.00 42.25 H +ATOM 4642 HG2 GLU A 331 28.685 85.774 12.376 1.00 42.25 H +ATOM 4643 N ASP A 332 31.310 89.440 14.042 1.00 36.24 N +ATOM 4644 CA ASP A 332 32.105 90.361 14.842 1.00 35.09 C +ATOM 4645 C ASP A 332 32.019 91.784 14.308 1.00 33.44 C +ATOM 4646 O ASP A 332 31.903 92.735 15.078 1.00 32.40 O +ATOM 4647 CB ASP A 332 33.571 89.920 14.877 1.00 36.85 C +ATOM 4648 CG ASP A 332 34.432 90.827 15.745 1.00 38.83 C +ATOM 4649 OD1 ASP A 332 34.129 90.964 16.950 1.00 40.24 O +ATOM 4650 OD2 ASP A 332 35.412 91.407 15.225 1.00 40.16 O1- +ATOM 4651 H ASP A 332 31.784 88.724 13.511 1.00 36.24 H +ATOM 4652 HA ASP A 332 31.719 90.352 15.862 1.00 35.09 H +ATOM 4653 HB3 ASP A 332 33.969 89.905 13.862 1.00 36.85 H +ATOM 4654 HB2 ASP A 332 33.633 88.897 15.248 1.00 36.85 H +ATOM 4655 N ILE A 333 32.079 91.926 12.987 1.00 31.46 N +ATOM 4656 CA ILE A 333 32.008 93.240 12.372 1.00 29.13 C +ATOM 4657 C ILE A 333 30.634 93.852 12.613 1.00 28.26 C +ATOM 4658 O ILE A 333 30.518 95.042 12.907 1.00 27.09 O +ATOM 4659 CB ILE A 333 32.282 93.159 10.857 1.00 29.00 C +ATOM 4660 CG1 ILE A 333 33.723 92.689 10.617 1.00 28.82 C +ATOM 4661 CG2 ILE A 333 32.028 94.517 10.202 1.00 27.69 C +ATOM 4662 CD1 ILE A 333 34.791 93.585 11.243 1.00 28.41 C +ATOM 4663 H ILE A 333 32.175 91.113 12.396 1.00 31.46 H +ATOM 4664 HA ILE A 333 32.762 93.881 12.829 1.00 29.13 H +ATOM 4665 HB ILE A 333 31.601 92.429 10.419 1.00 29.00 H +ATOM 4666 HG13 ILE A 333 33.903 92.608 9.545 1.00 28.82 H +ATOM 4667 HG12 ILE A 333 33.839 91.673 10.993 1.00 28.82 H +ATOM 4668 HG21 ILE A 333 32.225 94.448 9.132 1.00 27.69 H +ATOM 4669 HG22 ILE A 333 30.990 94.810 10.362 1.00 27.69 H +ATOM 4670 HG23 ILE A 333 32.688 95.263 10.645 1.00 27.69 H +ATOM 4671 HD11 ILE A 333 35.779 93.180 11.025 1.00 28.41 H +ATOM 4672 HD12 ILE A 333 34.711 94.590 10.829 1.00 28.41 H +ATOM 4673 HD13 ILE A 333 34.645 93.625 12.323 1.00 28.41 H +ATOM 4674 N LEU A 334 29.595 93.031 12.499 1.00 27.56 N +ATOM 4675 CA LEU A 334 28.235 93.500 12.709 1.00 26.99 C +ATOM 4676 C LEU A 334 28.056 94.026 14.137 1.00 27.25 C +ATOM 4677 O LEU A 334 27.498 95.104 14.343 1.00 25.95 O +ATOM 4678 CB LEU A 334 27.239 92.368 12.442 1.00 26.58 C +ATOM 4679 CG LEU A 334 25.755 92.722 12.621 1.00 26.73 C +ATOM 4680 CD1 LEU A 334 25.406 93.932 11.755 1.00 25.75 C +ATOM 4681 CD2 LEU A 334 24.890 91.518 12.251 1.00 26.01 C +ATOM 4682 H LEU A 334 29.742 92.061 12.261 1.00 27.56 H +ATOM 4683 HA LEU A 334 28.034 94.312 12.011 1.00 26.99 H +ATOM 4684 HB3 LEU A 334 27.484 91.516 13.076 1.00 26.58 H +ATOM 4685 HB2 LEU A 334 27.397 91.980 11.436 1.00 26.58 H +ATOM 4686 HG LEU A 334 25.577 92.976 13.666 1.00 26.73 H +ATOM 4687 HD11 LEU A 334 24.353 94.180 11.884 1.00 25.75 H +ATOM 4688 HD12 LEU A 334 26.019 94.782 12.054 1.00 25.75 H +ATOM 4689 HD13 LEU A 334 25.597 93.697 10.708 1.00 25.75 H +ATOM 4690 HD21 LEU A 334 23.838 91.773 12.379 1.00 26.01 H +ATOM 4691 HD22 LEU A 334 25.073 91.244 11.212 1.00 26.01 H +ATOM 4692 HD23 LEU A 334 25.141 90.677 12.898 1.00 26.01 H +ATOM 4693 N ASN A 335 28.534 93.264 15.119 1.00 27.53 N +ATOM 4694 CA ASN A 335 28.414 93.671 16.512 1.00 28.66 C +ATOM 4695 C ASN A 335 29.147 94.985 16.772 1.00 27.96 C +ATOM 4696 O ASN A 335 28.649 95.843 17.506 1.00 27.29 O +ATOM 4697 CB ASN A 335 28.962 92.589 17.452 1.00 31.44 C +ATOM 4698 CG ASN A 335 28.103 91.336 17.473 1.00 34.79 C +ATOM 4699 OD1 ASN A 335 28.750 90.172 17.553 1.00 37.79 O +ATOM 4700 ND2 ASN A 335 26.873 91.409 17.439 1.00 37.11 N +ATOM 4701 H ASN A 335 28.988 92.388 14.902 1.00 27.53 H +ATOM 4702 HA ASN A 335 27.358 93.818 16.737 1.00 28.66 H +ATOM 4703 HB3 ASN A 335 29.040 92.992 18.462 1.00 31.44 H +ATOM 4704 HB2 ASN A 335 29.976 92.328 17.151 1.00 31.44 H +ATOM 4705 HD22 ASN A 335 26.317 90.567 17.454 1.00 37.11 H +ATOM 4706 HD21 ASN A 335 26.422 92.312 17.397 1.00 37.11 H +ATOM 4707 N LYS A 336 30.331 95.137 16.180 1.00 27.22 N +ATOM 4708 CA LYS A 336 31.110 96.361 16.351 1.00 27.82 C +ATOM 4709 C LYS A 336 30.300 97.535 15.805 1.00 27.04 C +ATOM 4710 O LYS A 336 30.103 98.544 16.485 1.00 27.18 O +ATOM 4711 CB LYS A 336 32.432 96.284 15.581 1.00 29.34 C +ATOM 4712 CG LYS A 336 33.349 95.127 15.942 1.00 32.20 C +ATOM 4713 CD LYS A 336 34.116 95.367 17.225 1.00 34.05 C +ATOM 4714 CE LYS A 336 35.219 94.323 17.388 1.00 34.90 C +ATOM 4715 NZ LYS A 336 36.113 94.282 16.189 1.00 35.72 N1+ +ATOM 4716 H LYS A 336 30.705 94.399 15.600 1.00 27.22 H +ATOM 4717 HA LYS A 336 31.313 96.519 17.411 1.00 27.82 H +ATOM 4718 HB3 LYS A 336 32.973 97.223 15.702 1.00 29.34 H +ATOM 4719 HB2 LYS A 336 32.224 96.259 14.512 1.00 29.34 H +ATOM 4720 HG3 LYS A 336 34.052 94.954 15.127 1.00 32.20 H +ATOM 4721 HG2 LYS A 336 32.760 94.214 16.037 1.00 32.20 H +ATOM 4722 HD3 LYS A 336 33.433 95.309 18.073 1.00 34.05 H +ATOM 4723 HD2 LYS A 336 34.559 96.363 17.203 1.00 34.05 H +ATOM 4724 HE3 LYS A 336 34.770 93.342 17.540 1.00 34.90 H +ATOM 4725 HE2 LYS A 336 35.810 94.556 18.274 1.00 34.90 H +ATOM 4726 HZ1 LYS A 336 36.544 95.186 16.059 1.00 35.72 H +ATOM 4727 HZ2 LYS A 336 36.830 93.584 16.327 1.00 35.72 H +ATOM 4728 HZ3 LYS A 336 35.569 94.048 15.371 1.00 35.72 H +ATOM 4729 N ALA A 337 29.831 97.384 14.570 1.00 26.12 N +ATOM 4730 CA ALA A 337 29.051 98.422 13.909 1.00 25.59 C +ATOM 4731 C ALA A 337 27.812 98.797 14.709 1.00 24.92 C +ATOM 4732 O ALA A 337 27.517 99.978 14.883 1.00 24.62 O +ATOM 4733 CB ALA A 337 28.653 97.967 12.518 1.00 24.83 C +ATOM 4734 H ALA A 337 30.012 96.531 14.062 1.00 26.12 H +ATOM 4735 HA ALA A 337 29.676 99.309 13.813 1.00 25.59 H +ATOM 4736 HB1 ALA A 337 28.070 98.750 12.032 1.00 24.83 H +ATOM 4737 HB2 ALA A 337 29.549 97.765 11.931 1.00 24.83 H +ATOM 4738 HB3 ALA A 337 28.053 97.060 12.589 1.00 24.83 H +ATOM 4739 N LEU A 338 27.089 97.794 15.199 1.00 24.67 N +ATOM 4740 CA LEU A 338 25.880 98.058 15.974 1.00 24.77 C +ATOM 4741 C LEU A 338 26.214 98.792 17.272 1.00 25.12 C +ATOM 4742 O LEU A 338 25.481 99.686 17.692 1.00 23.90 O +ATOM 4743 CB LEU A 338 25.134 96.749 16.264 1.00 23.96 C +ATOM 4744 CG LEU A 338 24.477 96.106 15.030 1.00 24.21 C +ATOM 4745 CD1 LEU A 338 23.836 94.766 15.399 1.00 24.03 C +ATOM 4746 CD2 LEU A 338 23.417 97.052 14.474 1.00 23.21 C +ATOM 4747 H LEU A 338 27.375 96.839 15.037 1.00 24.67 H +ATOM 4748 HA LEU A 338 25.227 98.697 15.379 1.00 24.77 H +ATOM 4749 HB3 LEU A 338 24.375 96.927 17.025 1.00 23.96 H +ATOM 4750 HB2 LEU A 338 25.820 96.036 16.721 1.00 23.96 H +ATOM 4751 HG LEU A 338 25.239 95.938 14.268 1.00 24.21 H +ATOM 4752 HD11 LEU A 338 23.377 94.326 14.514 1.00 24.03 H +ATOM 4753 HD12 LEU A 338 24.600 94.091 15.785 1.00 24.03 H +ATOM 4754 HD13 LEU A 338 23.074 94.926 16.162 1.00 24.03 H +ATOM 4755 HD21 LEU A 338 22.949 96.601 13.599 1.00 23.21 H +ATOM 4756 HD22 LEU A 338 22.660 97.238 15.235 1.00 23.21 H +ATOM 4757 HD23 LEU A 338 23.884 97.995 14.189 1.00 23.21 H +ATOM 4758 N GLU A 339 27.326 98.418 17.896 1.00 26.19 N +ATOM 4759 CA GLU A 339 27.762 99.063 19.132 1.00 27.38 C +ATOM 4760 C GLU A 339 28.042 100.543 18.880 1.00 26.32 C +ATOM 4761 O GLU A 339 27.672 101.395 19.685 1.00 26.47 O +ATOM 4762 CB GLU A 339 29.042 98.411 19.660 1.00 30.06 C +ATOM 4763 CG GLU A 339 28.881 97.015 20.226 1.00 35.18 C +ATOM 4764 CD GLU A 339 30.228 96.376 20.536 1.00 38.24 C +ATOM 4765 OE1 GLU A 339 31.109 97.086 21.074 1.00 40.01 O +ATOM 4766 OE2 GLU A 339 30.408 95.171 20.248 1.00 40.65 O1- +ATOM 4767 H GLU A 339 27.891 97.671 17.518 1.00 26.19 H +ATOM 4768 HA GLU A 339 26.976 98.969 19.881 1.00 27.38 H +ATOM 4769 HB3 GLU A 339 29.489 99.056 20.416 1.00 30.06 H +ATOM 4770 HB2 GLU A 339 29.791 98.394 18.869 1.00 30.06 H +ATOM 4771 HG3 GLU A 339 28.341 96.394 19.511 1.00 35.18 H +ATOM 4772 HG2 GLU A 339 28.282 97.059 21.135 1.00 35.18 H +ATOM 4773 N LEU A 340 28.709 100.840 17.767 1.00 24.96 N +ATOM 4774 CA LEU A 340 29.042 102.221 17.433 1.00 24.82 C +ATOM 4775 C LEU A 340 27.803 103.045 17.091 1.00 24.53 C +ATOM 4776 O LEU A 340 27.725 104.215 17.448 1.00 24.31 O +ATOM 4777 CB LEU A 340 30.047 102.274 16.277 1.00 24.10 C +ATOM 4778 CG LEU A 340 31.415 101.629 16.535 1.00 23.89 C +ATOM 4779 CD1 LEU A 340 32.337 101.903 15.354 1.00 24.13 C +ATOM 4780 CD2 LEU A 340 32.024 102.185 17.817 1.00 23.43 C +ATOM 4781 H LEU A 340 28.994 100.103 17.137 1.00 24.96 H +ATOM 4782 HA LEU A 340 29.513 102.672 18.306 1.00 24.82 H +ATOM 4783 HB3 LEU A 340 30.190 103.311 15.973 1.00 24.10 H +ATOM 4784 HB2 LEU A 340 29.599 101.825 15.391 1.00 24.10 H +ATOM 4785 HG LEU A 340 31.285 100.552 16.642 1.00 23.89 H +ATOM 4786 HD11 LEU A 340 33.309 101.445 15.537 1.00 24.13 H +ATOM 4787 HD12 LEU A 340 31.902 101.482 14.448 1.00 24.13 H +ATOM 4788 HD13 LEU A 340 32.461 102.979 15.230 1.00 24.13 H +ATOM 4789 HD21 LEU A 340 32.995 101.720 17.989 1.00 23.43 H +ATOM 4790 HD22 LEU A 340 32.150 103.263 17.722 1.00 23.43 H +ATOM 4791 HD23 LEU A 340 31.364 101.969 18.657 1.00 23.43 H +ATOM 4792 N CYS A 341 26.842 102.438 16.401 1.00 24.47 N +ATOM 4793 CA CYS A 341 25.603 103.132 16.060 1.00 25.28 C +ATOM 4794 C CYS A 341 24.882 103.545 17.340 1.00 25.71 C +ATOM 4795 O CYS A 341 24.318 104.636 17.424 1.00 25.75 O +ATOM 4796 CB CYS A 341 24.682 102.232 15.231 1.00 24.78 C +ATOM 4797 SG CYS A 341 25.179 102.036 13.516 1.00 26.45 S +ATOM 4798 H CYS A 341 26.961 101.480 16.104 1.00 24.47 H +ATOM 4799 HA CYS A 341 25.843 104.025 15.482 1.00 25.28 H +ATOM 4800 HB3 CYS A 341 23.665 102.623 15.269 1.00 24.78 H +ATOM 4801 HB2 CYS A 341 24.616 101.251 15.701 1.00 24.78 H +ATOM 4802 HG CYS A 341 26.220 101.202 13.446 1.00 26.45 H +ATOM 4803 N GLU A 342 24.906 102.660 18.334 1.00 26.27 N +ATOM 4804 CA GLU A 342 24.267 102.919 19.619 1.00 27.49 C +ATOM 4805 C GLU A 342 24.980 104.063 20.334 1.00 26.99 C +ATOM 4806 O GLU A 342 24.341 104.961 20.885 1.00 26.55 O +ATOM 4807 CB GLU A 342 24.317 101.663 20.487 1.00 29.86 C +ATOM 4808 CG GLU A 342 22.971 101.243 21.061 1.00 34.28 C +ATOM 4809 CD GLU A 342 22.405 102.251 22.042 1.00 36.30 C +ATOM 4810 OE1 GLU A 342 23.055 102.499 23.081 1.00 39.12 O +ATOM 4811 OE2 GLU A 342 21.309 102.794 21.780 1.00 36.61 O1- +ATOM 4812 H GLU A 342 25.378 101.776 18.211 1.00 26.27 H +ATOM 4813 HA GLU A 342 23.226 103.197 19.451 1.00 27.49 H +ATOM 4814 HB3 GLU A 342 25.025 101.815 21.302 1.00 29.86 H +ATOM 4815 HB2 GLU A 342 24.736 100.840 19.908 1.00 29.86 H +ATOM 4816 HG3 GLU A 342 23.073 100.276 21.553 1.00 34.28 H +ATOM 4817 HG2 GLU A 342 22.262 101.092 20.247 1.00 34.28 H +ATOM 4818 N ILE A 343 26.309 104.021 20.323 1.00 26.31 N +ATOM 4819 CA ILE A 343 27.114 105.055 20.961 1.00 26.39 C +ATOM 4820 C ILE A 343 26.861 106.415 20.316 1.00 25.64 C +ATOM 4821 O ILE A 343 26.733 107.431 21.005 1.00 24.94 O +ATOM 4822 CB ILE A 343 28.623 104.718 20.866 1.00 27.09 C +ATOM 4823 CG1 ILE A 343 28.942 103.554 21.817 1.00 27.93 C +ATOM 4824 CG2 ILE A 343 29.463 105.950 21.188 1.00 26.70 C +ATOM 4825 CD1 ILE A 343 30.393 103.103 21.783 1.00 28.97 C +ATOM 4826 H ILE A 343 26.786 103.259 19.864 1.00 26.31 H +ATOM 4827 HA ILE A 343 26.836 105.112 22.013 1.00 26.39 H +ATOM 4828 HB ILE A 343 28.845 104.403 19.846 1.00 27.09 H +ATOM 4829 HG13 ILE A 343 28.295 102.708 21.583 1.00 27.93 H +ATOM 4830 HG12 ILE A 343 28.676 103.836 22.836 1.00 27.93 H +ATOM 4831 HG21 ILE A 343 30.521 105.698 21.117 1.00 26.70 H +ATOM 4832 HG22 ILE A 343 29.231 106.744 20.478 1.00 26.70 H +ATOM 4833 HG23 ILE A 343 29.238 106.290 22.199 1.00 26.70 H +ATOM 4834 HD11 ILE A 343 30.535 102.278 22.482 1.00 28.97 H +ATOM 4835 HD12 ILE A 343 30.647 102.772 20.776 1.00 28.97 H +ATOM 4836 HD13 ILE A 343 31.039 103.934 22.066 1.00 28.97 H +ATOM 4837 N LEU A 344 26.788 106.430 18.991 1.00 24.53 N +ATOM 4838 CA LEU A 344 26.540 107.670 18.276 1.00 24.83 C +ATOM 4839 C LEU A 344 25.138 108.176 18.586 1.00 24.61 C +ATOM 4840 O LEU A 344 24.936 109.361 18.835 1.00 24.42 O +ATOM 4841 CB LEU A 344 26.703 107.448 16.768 1.00 24.11 C +ATOM 4842 CG LEU A 344 28.158 107.263 16.330 1.00 23.56 C +ATOM 4843 CD1 LEU A 344 28.227 106.538 15.002 1.00 23.47 C +ATOM 4844 CD2 LEU A 344 28.832 108.626 16.244 1.00 22.77 C +ATOM 4845 H LEU A 344 26.905 105.573 18.470 1.00 24.53 H +ATOM 4846 HA LEU A 344 27.264 108.416 18.603 1.00 24.83 H +ATOM 4847 HB3 LEU A 344 26.267 108.289 16.229 1.00 24.11 H +ATOM 4848 HB2 LEU A 344 26.121 106.577 16.466 1.00 24.11 H +ATOM 4849 HG LEU A 344 28.675 106.665 17.080 1.00 23.56 H +ATOM 4850 HD11 LEU A 344 29.269 106.417 14.708 1.00 23.47 H +ATOM 4851 HD12 LEU A 344 27.761 105.557 15.099 1.00 23.47 H +ATOM 4852 HD13 LEU A 344 27.701 107.117 14.243 1.00 23.47 H +ATOM 4853 HD21 LEU A 344 29.869 108.500 15.932 1.00 22.77 H +ATOM 4854 HD22 LEU A 344 28.307 109.247 15.518 1.00 22.77 H +ATOM 4855 HD23 LEU A 344 28.803 109.108 17.221 1.00 22.77 H +ATOM 4856 N ALA A 345 24.175 107.266 18.586 1.00 24.96 N +ATOM 4857 CA ALA A 345 22.785 107.620 18.843 1.00 26.16 C +ATOM 4858 C ALA A 345 22.526 108.136 20.250 1.00 27.17 C +ATOM 4859 O ALA A 345 21.797 109.110 20.437 1.00 27.36 O +ATOM 4860 CB ALA A 345 21.883 106.410 18.577 1.00 24.93 C +ATOM 4861 H ALA A 345 24.396 106.298 18.403 1.00 24.96 H +ATOM 4862 HA ALA A 345 22.505 108.406 18.142 1.00 26.16 H +ATOM 4863 HB1 ALA A 345 20.845 106.681 18.772 1.00 24.93 H +ATOM 4864 HB2 ALA A 345 21.988 106.099 17.538 1.00 24.93 H +ATOM 4865 HB3 ALA A 345 22.173 105.589 19.233 1.00 24.93 H +ATOM 4866 N LYS A 346 23.138 107.487 21.231 1.00 28.01 N +ATOM 4867 CA LYS A 346 22.933 107.821 22.635 1.00 29.82 C +ATOM 4868 C LYS A 346 23.866 108.858 23.252 1.00 29.54 C +ATOM 4869 O LYS A 346 23.468 109.581 24.165 1.00 28.62 O +ATOM 4870 CB LYS A 346 23.008 106.529 23.458 1.00 32.05 C +ATOM 4871 CG LYS A 346 22.707 106.678 24.945 1.00 35.53 C +ATOM 4872 CD LYS A 346 21.228 106.987 25.208 1.00 38.45 C +ATOM 4873 CE LYS A 346 20.309 105.913 24.622 1.00 40.47 C +ATOM 4874 NZ LYS A 346 20.628 104.541 25.136 1.00 42.07 N1+ +ATOM 4875 H LYS A 346 23.773 106.731 21.018 1.00 28.01 H +ATOM 4876 HA LYS A 346 21.917 108.205 22.730 1.00 29.82 H +ATOM 4877 HB3 LYS A 346 23.993 106.080 23.334 1.00 32.05 H +ATOM 4878 HB2 LYS A 346 22.335 105.788 23.027 1.00 32.05 H +ATOM 4879 HG3 LYS A 346 23.323 107.474 25.362 1.00 35.53 H +ATOM 4880 HG2 LYS A 346 22.983 105.760 25.464 1.00 35.53 H +ATOM 4881 HD3 LYS A 346 20.977 107.955 24.774 1.00 38.45 H +ATOM 4882 HD2 LYS A 346 21.059 107.063 26.282 1.00 38.45 H +ATOM 4883 HE3 LYS A 346 20.390 105.921 23.535 1.00 40.47 H +ATOM 4884 HE2 LYS A 346 19.273 106.156 24.856 1.00 40.47 H +ATOM 4885 HZ1 LYS A 346 20.524 104.525 26.141 1.00 42.07 H +ATOM 4886 HZ2 LYS A 346 19.997 103.870 24.722 1.00 42.07 H +ATOM 4887 HZ3 LYS A 346 21.579 104.302 24.893 1.00 42.07 H +ATOM 4888 N GLU A 347 25.095 108.958 22.758 1.00 29.42 N +ATOM 4889 CA GLU A 347 26.028 109.890 23.373 1.00 29.99 C +ATOM 4890 C GLU A 347 26.837 110.841 22.500 1.00 28.97 C +ATOM 4891 O GLU A 347 26.841 112.053 22.735 1.00 28.09 O +ATOM 4892 CB GLU A 347 27.005 109.105 24.252 1.00 32.06 C +ATOM 4893 CG GLU A 347 28.134 109.955 24.819 1.00 36.37 C +ATOM 4894 CD GLU A 347 29.282 109.121 25.364 1.00 38.94 C +ATOM 4895 OE1 GLU A 347 30.295 109.721 25.795 1.00 40.19 O +ATOM 4896 OE2 GLU A 347 29.173 107.870 25.358 1.00 40.60 O1- +ATOM 4897 H GLU A 347 25.369 108.391 21.968 1.00 29.42 H +ATOM 4898 HA GLU A 347 25.441 110.514 24.047 1.00 29.99 H +ATOM 4899 HB3 GLU A 347 27.427 108.281 23.676 1.00 32.06 H +ATOM 4900 HB2 GLU A 347 26.459 108.636 25.070 1.00 32.06 H +ATOM 4901 HG3 GLU A 347 27.743 110.594 25.610 1.00 36.37 H +ATOM 4902 HG2 GLU A 347 28.508 110.624 24.044 1.00 36.37 H +ATOM 4903 N LYS A 348 27.528 110.292 21.506 1.00 28.03 N +ATOM 4904 CA LYS A 348 28.402 111.091 20.657 1.00 27.79 C +ATOM 4905 C LYS A 348 27.811 111.870 19.488 1.00 26.35 C +ATOM 4906 O LYS A 348 28.430 112.813 19.001 1.00 25.97 O +ATOM 4907 CB LYS A 348 29.545 110.204 20.151 1.00 29.86 C +ATOM 4908 CG LYS A 348 30.424 109.668 21.277 1.00 31.97 C +ATOM 4909 CD LYS A 348 31.670 108.989 20.738 1.00 34.68 C +ATOM 4910 CE LYS A 348 32.661 108.682 21.856 1.00 35.93 C +ATOM 4911 NZ LYS A 348 33.107 109.931 22.544 1.00 37.43 N1+ +ATOM 4912 H LYS A 348 27.454 109.301 21.327 1.00 28.03 H +ATOM 4913 HA LYS A 348 28.863 111.831 21.310 1.00 27.79 H +ATOM 4914 HB3 LYS A 348 30.159 110.770 19.450 1.00 29.86 H +ATOM 4915 HB2 LYS A 348 29.132 109.369 19.585 1.00 29.86 H +ATOM 4916 HG3 LYS A 348 29.854 108.958 21.876 1.00 31.97 H +ATOM 4917 HG2 LYS A 348 30.714 110.489 21.933 1.00 31.97 H +ATOM 4918 HD3 LYS A 348 32.145 109.635 19.999 1.00 34.68 H +ATOM 4919 HD2 LYS A 348 31.390 108.062 20.237 1.00 34.68 H +ATOM 4920 HE3 LYS A 348 33.528 108.167 21.442 1.00 35.93 H +ATOM 4921 HE2 LYS A 348 32.195 108.015 22.581 1.00 35.93 H +ATOM 4922 HZ1 LYS A 348 33.643 110.497 21.901 1.00 37.43 H +ATOM 4923 HZ2 LYS A 348 32.299 110.451 22.856 1.00 37.43 H +ATOM 4924 HZ3 LYS A 348 33.680 109.692 23.340 1.00 37.43 H +ATOM 4925 N ASP A 349 26.627 111.498 19.026 1.00 24.46 N +ATOM 4926 CA ASP A 349 26.043 112.218 17.904 1.00 23.02 C +ATOM 4927 C ASP A 349 24.520 112.156 17.994 1.00 22.04 C +ATOM 4928 O ASP A 349 23.832 111.843 17.018 1.00 21.78 O +ATOM 4929 CB ASP A 349 26.563 111.596 16.601 1.00 23.00 C +ATOM 4930 CG ASP A 349 26.415 112.518 15.413 1.00 23.68 C +ATOM 4931 OD1 ASP A 349 26.487 113.749 15.603 1.00 23.79 O +ATOM 4932 OD2 ASP A 349 26.244 112.009 14.285 1.00 23.60 O1- +ATOM 4933 H ASP A 349 26.140 110.723 19.453 1.00 24.46 H +ATOM 4934 HA ASP A 349 26.358 113.260 17.949 1.00 23.02 H +ATOM 4935 HB3 ASP A 349 26.030 110.666 16.406 1.00 23.00 H +ATOM 4936 HB2 ASP A 349 27.612 111.327 16.722 1.00 23.00 H +ATOM 4937 N THR A 350 24.010 112.490 19.176 1.00 21.34 N +ATOM 4938 CA THR A 350 22.581 112.445 19.466 1.00 20.66 C +ATOM 4939 C THR A 350 21.695 113.256 18.533 1.00 20.74 C +ATOM 4940 O THR A 350 20.535 112.905 18.329 1.00 21.16 O +ATOM 4941 CB THR A 350 22.287 112.884 20.928 1.00 20.86 C +ATOM 4942 OG1 THR A 350 22.673 114.254 21.112 1.00 21.60 O +ATOM 4943 CG2 THR A 350 23.058 112.008 21.916 1.00 20.60 C +ATOM 4944 H THR A 350 24.620 112.791 19.922 1.00 21.34 H +ATOM 4945 HA THR A 350 22.270 111.404 19.377 1.00 20.66 H +ATOM 4946 HB THR A 350 21.219 112.785 21.122 1.00 20.86 H +ATOM 4947 HG1 THR A 350 22.744 114.444 22.050 1.00 21.60 H +ATOM 4948 HG21 THR A 350 22.840 112.329 22.934 1.00 20.60 H +ATOM 4949 HG22 THR A 350 22.757 110.968 21.791 1.00 20.60 H +ATOM 4950 HG23 THR A 350 24.127 112.101 21.727 1.00 20.60 H +ATOM 4951 N ILE A 351 22.218 114.336 17.961 1.00 20.16 N +ATOM 4952 CA ILE A 351 21.398 115.131 17.059 1.00 20.01 C +ATOM 4953 C ILE A 351 20.969 114.251 15.885 1.00 20.51 C +ATOM 4954 O ILE A 351 19.949 114.503 15.240 1.00 20.29 O +ATOM 4955 CB ILE A 351 22.158 116.364 16.521 1.00 19.81 C +ATOM 4956 CG1 ILE A 351 21.176 117.317 15.832 1.00 19.26 C +ATOM 4957 CG2 ILE A 351 23.258 115.936 15.555 1.00 18.98 C +ATOM 4958 CD1 ILE A 351 20.254 118.045 16.793 1.00 18.37 C +ATOM 4959 H ILE A 351 23.174 114.597 18.155 1.00 20.16 H +ATOM 4960 HA ILE A 351 20.509 115.468 17.592 1.00 20.01 H +ATOM 4961 HB ILE A 351 22.616 116.885 17.362 1.00 19.81 H +ATOM 4962 HG13 ILE A 351 20.579 116.760 15.110 1.00 19.26 H +ATOM 4963 HG12 ILE A 351 21.732 118.045 15.243 1.00 19.26 H +ATOM 4964 HG21 ILE A 351 23.782 116.818 15.187 1.00 18.98 H +ATOM 4965 HG22 ILE A 351 23.963 115.284 16.071 1.00 18.98 H +ATOM 4966 HG23 ILE A 351 22.816 115.400 14.715 1.00 18.98 H +ATOM 4967 HD11 ILE A 351 19.588 118.700 16.231 1.00 18.37 H +ATOM 4968 HD12 ILE A 351 19.663 117.318 17.351 1.00 18.37 H +ATOM 4969 HD13 ILE A 351 20.848 118.639 17.487 1.00 18.37 H +ATOM 4970 N ARG A 352 21.748 113.203 15.625 1.00 20.68 N +ATOM 4971 CA ARG A 352 21.458 112.291 14.529 1.00 21.46 C +ATOM 4972 C ARG A 352 20.983 110.920 15.008 1.00 21.38 C +ATOM 4973 O ARG A 352 21.150 109.917 14.313 1.00 21.55 O +ATOM 4974 CB ARG A 352 22.696 112.154 13.629 1.00 21.94 C +ATOM 4975 CG ARG A 352 22.804 113.269 12.587 1.00 23.63 C +ATOM 4976 CD ARG A 352 24.171 113.334 11.942 1.00 24.14 C +ATOM 4977 NE ARG A 352 25.136 114.029 12.796 1.00 25.64 N +ATOM 4978 CZ ARG A 352 25.214 115.352 12.947 1.00 24.70 C +ATOM 4979 NH1 ARG A 352 24.381 116.172 12.301 1.00 23.40 N +ATOM 4980 NH2 ARG A 352 26.134 115.860 13.755 1.00 23.54 N1+ +ATOM 4981 H ARG A 352 22.563 113.027 16.194 1.00 20.68 H +ATOM 4982 HA ARG A 352 20.659 112.731 13.933 1.00 21.46 H +ATOM 4983 HB3 ARG A 352 22.671 111.189 13.124 1.00 21.94 H +ATOM 4984 HB2 ARG A 352 23.594 112.148 14.246 1.00 21.94 H +ATOM 4985 HG3 ARG A 352 22.580 114.227 13.058 1.00 23.63 H +ATOM 4986 HG2 ARG A 352 22.047 113.121 11.818 1.00 23.63 H +ATOM 4987 HD3 ARG A 352 24.096 113.849 10.985 1.00 24.14 H +ATOM 4988 HD2 ARG A 352 24.526 112.323 11.742 1.00 24.14 H +ATOM 4989 HE ARG A 352 25.776 113.425 13.292 1.00 25.64 H +ATOM 4990 HH12 ARG A 352 24.456 117.171 12.428 1.00 23.40 H +ATOM 4991 HH11 ARG A 352 23.677 115.793 11.684 1.00 23.40 H +ATOM 4992 HH22 ARG A 352 26.202 116.860 13.877 1.00 23.54 H +ATOM 4993 HH21 ARG A 352 26.767 115.246 14.248 1.00 23.54 H +ATOM 4994 N LYS A 353 20.369 110.889 16.187 1.00 22.06 N +ATOM 4995 CA LYS A 353 19.863 109.647 16.763 1.00 23.31 C +ATOM 4996 C LYS A 353 18.969 108.850 15.810 1.00 22.84 C +ATOM 4997 O LYS A 353 19.102 107.632 15.717 1.00 22.33 O +ATOM 4998 CB LYS A 353 19.081 109.927 18.053 1.00 24.67 C +ATOM 4999 CG LYS A 353 17.914 110.913 17.883 1.00 28.55 C +ATOM 5000 CD LYS A 353 16.907 110.821 19.037 1.00 31.03 C +ATOM 5001 CE LYS A 353 15.981 112.037 19.097 1.00 31.39 C +ATOM 5002 NZ LYS A 353 15.314 112.328 17.786 1.00 33.67 N1+ +ATOM 5003 H LYS A 353 20.241 111.742 16.712 1.00 22.06 H +ATOM 5004 HA LYS A 353 20.719 109.023 17.019 1.00 23.31 H +ATOM 5005 HB3 LYS A 353 19.764 110.303 18.815 1.00 24.67 H +ATOM 5006 HB2 LYS A 353 18.704 108.988 18.458 1.00 24.67 H +ATOM 5007 HG3 LYS A 353 17.404 110.712 16.940 1.00 28.55 H +ATOM 5008 HG2 LYS A 353 18.304 111.929 17.822 1.00 28.55 H +ATOM 5009 HD3 LYS A 353 17.445 110.728 19.981 1.00 31.03 H +ATOM 5010 HD2 LYS A 353 16.310 109.916 18.926 1.00 31.03 H +ATOM 5011 HE3 LYS A 353 16.550 112.910 19.415 1.00 31.39 H +ATOM 5012 HE2 LYS A 353 15.222 111.876 19.862 1.00 31.39 H +ATOM 5013 HZ1 LYS A 353 14.459 111.794 17.718 1.00 33.67 H +ATOM 5014 HZ2 LYS A 353 15.101 113.313 17.728 1.00 33.67 H +ATOM 5015 HZ3 LYS A 353 15.932 112.072 17.030 1.00 33.67 H +ATOM 5016 N GLU A 354 18.056 109.523 15.113 1.00 22.27 N +ATOM 5017 CA GLU A 354 17.160 108.819 14.199 1.00 22.75 C +ATOM 5018 C GLU A 354 17.917 108.201 13.038 1.00 22.55 C +ATOM 5019 O GLU A 354 17.595 107.101 12.589 1.00 22.68 O +ATOM 5020 CB GLU A 354 16.076 109.757 13.663 1.00 23.59 C +ATOM 5021 CG GLU A 354 14.943 110.006 14.636 1.00 25.13 C +ATOM 5022 CD GLU A 354 14.278 108.720 15.111 1.00 26.23 C +ATOM 5023 OE1 GLU A 354 13.995 107.836 14.276 1.00 26.38 O +ATOM 5024 OE2 GLU A 354 14.021 108.596 16.324 1.00 27.55 O1- +ATOM 5025 H GLU A 354 17.981 110.525 15.216 1.00 22.27 H +ATOM 5026 HA GLU A 354 16.672 108.017 14.752 1.00 22.75 H +ATOM 5027 HB3 GLU A 354 15.673 109.350 12.735 1.00 23.59 H +ATOM 5028 HB2 GLU A 354 16.528 110.708 13.382 1.00 23.59 H +ATOM 5029 HG3 GLU A 354 14.197 110.648 14.166 1.00 25.13 H +ATOM 5030 HG2 GLU A 354 15.320 110.559 15.497 1.00 25.13 H +ATOM 5031 N TYR A 355 18.924 108.910 12.545 1.00 22.23 N +ATOM 5032 CA TYR A 355 19.719 108.399 11.444 1.00 22.21 C +ATOM 5033 C TYR A 355 20.495 107.152 11.883 1.00 22.42 C +ATOM 5034 O TYR A 355 20.501 106.136 11.190 1.00 21.99 O +ATOM 5035 CB TYR A 355 20.703 109.465 10.965 1.00 21.80 C +ATOM 5036 CG TYR A 355 21.702 108.946 9.962 1.00 22.10 C +ATOM 5037 CD1 TYR A 355 21.329 108.693 8.648 1.00 21.64 C +ATOM 5038 CD2 TYR A 355 23.018 108.681 10.337 1.00 22.45 C +ATOM 5039 CE1 TYR A 355 22.240 108.190 7.727 1.00 22.10 C +ATOM 5040 CE2 TYR A 355 23.940 108.174 9.426 1.00 22.69 C +ATOM 5041 CZ TYR A 355 23.543 107.931 8.119 1.00 22.58 C +ATOM 5042 OH TYR A 355 24.450 107.432 7.207 1.00 21.71 O +ATOM 5043 H TYR A 355 19.143 109.815 12.936 1.00 22.23 H +ATOM 5044 HA TYR A 355 19.056 108.133 10.621 1.00 22.21 H +ATOM 5045 HB3 TYR A 355 21.233 109.879 11.823 1.00 21.80 H +ATOM 5046 HB2 TYR A 355 20.151 110.297 10.529 1.00 21.80 H +ATOM 5047 HD1 TYR A 355 20.316 108.886 8.327 1.00 21.64 H +ATOM 5048 HD2 TYR A 355 23.339 108.869 11.351 1.00 22.45 H +ATOM 5049 HE1 TYR A 355 21.931 108.002 6.709 1.00 22.10 H +ATOM 5050 HE2 TYR A 355 24.954 107.974 9.738 1.00 22.69 H +ATOM 5051 HH TYR A 355 25.300 107.310 7.636 1.00 21.71 H +ATOM 5052 N TRP A 356 21.155 107.233 13.034 1.00 22.82 N +ATOM 5053 CA TRP A 356 21.942 106.106 13.522 1.00 23.35 C +ATOM 5054 C TRP A 356 21.097 104.881 13.864 1.00 23.53 C +ATOM 5055 O TRP A 356 21.535 103.753 13.644 1.00 23.86 O +ATOM 5056 CB TRP A 356 22.810 106.551 14.704 1.00 22.86 C +ATOM 5057 CG TRP A 356 23.934 107.467 14.250 1.00 22.64 C +ATOM 5058 CD1 TRP A 356 24.160 108.758 14.649 1.00 22.47 C +ATOM 5059 CD2 TRP A 356 24.931 107.176 13.254 1.00 22.30 C +ATOM 5060 NE1 TRP A 356 25.228 109.288 13.956 1.00 23.18 N +ATOM 5061 CE2 TRP A 356 25.719 108.340 13.095 1.00 22.65 C +ATOM 5062 CE3 TRP A 356 25.232 106.043 12.478 1.00 21.85 C +ATOM 5063 CZ2 TRP A 356 26.791 108.406 12.191 1.00 22.49 C +ATOM 5064 CZ3 TRP A 356 26.300 106.107 11.576 1.00 22.02 C +ATOM 5065 CH2 TRP A 356 27.065 107.283 11.442 1.00 21.96 C +ATOM 5066 H TRP A 356 21.115 108.081 13.580 1.00 22.82 H +ATOM 5067 HA TRP A 356 22.619 105.816 12.718 1.00 23.35 H +ATOM 5068 HB3 TRP A 356 23.233 105.673 15.194 1.00 22.86 H +ATOM 5069 HB2 TRP A 356 22.190 107.071 15.434 1.00 22.86 H +ATOM 5070 HD1 TRP A 356 23.534 109.206 15.406 1.00 22.47 H +ATOM 5071 HE1 TRP A 356 25.522 110.238 14.132 1.00 23.18 H +ATOM 5072 HE3 TRP A 356 24.643 105.144 12.584 1.00 21.85 H +ATOM 5073 HZ2 TRP A 356 27.367 109.315 12.102 1.00 22.49 H +ATOM 5074 HZ3 TRP A 356 26.547 105.248 10.970 1.00 22.02 H +ATOM 5075 HH2 TRP A 356 27.881 107.292 10.735 1.00 21.96 H +ATOM 5076 N ARG A 357 19.887 105.094 14.382 1.00 23.84 N +ATOM 5077 CA ARG A 357 18.996 103.976 14.696 1.00 24.13 C +ATOM 5078 C ARG A 357 18.631 103.319 13.373 1.00 22.96 C +ATOM 5079 O ARG A 357 18.554 102.098 13.273 1.00 22.80 O +ATOM 5080 CB ARG A 357 17.706 104.448 15.372 1.00 25.70 C +ATOM 5081 CG ARG A 357 17.887 104.997 16.760 1.00 28.89 C +ATOM 5082 CD ARG A 357 18.553 103.982 17.652 1.00 31.66 C +ATOM 5083 NE ARG A 357 18.629 104.451 19.028 1.00 34.44 N +ATOM 5084 CZ ARG A 357 19.444 103.934 19.938 1.00 35.74 C +ATOM 5085 NH1 ARG A 357 20.253 102.931 19.606 1.00 36.73 N +ATOM 5086 NH2 ARG A 357 19.449 104.418 21.173 1.00 36.94 N1+ +ATOM 5087 H ARG A 357 19.574 106.037 14.562 1.00 23.84 H +ATOM 5088 HA ARG A 357 19.511 103.259 15.336 1.00 24.13 H +ATOM 5089 HB3 ARG A 357 16.991 103.626 15.400 1.00 25.70 H +ATOM 5090 HB2 ARG A 357 17.225 105.201 14.747 1.00 25.70 H +ATOM 5091 HG3 ARG A 357 16.915 105.262 17.175 1.00 28.89 H +ATOM 5092 HG2 ARG A 357 18.498 105.898 16.717 1.00 28.89 H +ATOM 5093 HD3 ARG A 357 19.558 103.778 17.282 1.00 31.66 H +ATOM 5094 HD2 ARG A 357 17.994 103.046 17.618 1.00 31.66 H +ATOM 5095 HE ARG A 357 18.015 105.214 19.276 1.00 34.44 H +ATOM 5096 HH12 ARG A 357 20.875 102.535 20.296 1.00 36.73 H +ATOM 5097 HH11 ARG A 357 20.245 102.567 18.664 1.00 36.73 H +ATOM 5098 HH22 ARG A 357 20.069 104.025 21.867 1.00 36.94 H +ATOM 5099 HH21 ARG A 357 18.833 105.179 21.420 1.00 36.94 H +ATOM 5100 N TYR A 358 18.392 104.150 12.365 1.00 21.28 N +ATOM 5101 CA TYR A 358 18.051 103.653 11.039 1.00 20.40 C +ATOM 5102 C TYR A 358 19.197 102.788 10.514 1.00 20.20 C +ATOM 5103 O TYR A 358 18.972 101.680 10.019 1.00 20.07 O +ATOM 5104 CB TYR A 358 17.800 104.818 10.078 1.00 19.72 C +ATOM 5105 CG TYR A 358 17.787 104.399 8.624 1.00 20.51 C +ATOM 5106 CD1 TYR A 358 16.738 103.635 8.101 1.00 19.70 C +ATOM 5107 CD2 TYR A 358 18.843 104.738 7.780 1.00 19.82 C +ATOM 5108 CE1 TYR A 358 16.747 103.220 6.767 1.00 21.15 C +ATOM 5109 CE2 TYR A 358 18.864 104.331 6.451 1.00 20.73 C +ATOM 5110 CZ TYR A 358 17.817 103.575 5.949 1.00 21.45 C +ATOM 5111 OH TYR A 358 17.841 103.192 4.631 1.00 21.99 O +ATOM 5112 H TYR A 358 18.445 105.148 12.509 1.00 21.28 H +ATOM 5113 HA TYR A 358 17.148 103.046 11.107 1.00 20.40 H +ATOM 5114 HB3 TYR A 358 18.563 105.582 10.228 1.00 19.72 H +ATOM 5115 HB2 TYR A 358 16.851 105.294 10.326 1.00 19.72 H +ATOM 5116 HD1 TYR A 358 15.906 103.358 8.731 1.00 19.70 H +ATOM 5117 HD2 TYR A 358 19.667 105.327 8.155 1.00 19.82 H +ATOM 5118 HE1 TYR A 358 15.930 102.630 6.379 1.00 21.15 H +ATOM 5119 HE2 TYR A 358 19.693 104.605 5.816 1.00 20.73 H +ATOM 5120 HH TYR A 358 17.048 102.691 4.428 1.00 21.99 H +ATOM 5121 N ILE A 359 20.422 103.299 10.616 1.00 19.73 N +ATOM 5122 CA ILE A 359 21.595 102.560 10.162 1.00 19.83 C +ATOM 5123 C ILE A 359 21.702 101.231 10.915 1.00 20.40 C +ATOM 5124 O ILE A 359 22.032 100.197 10.324 1.00 21.00 O +ATOM 5125 CB ILE A 359 22.895 103.379 10.369 1.00 19.29 C +ATOM 5126 CG1 ILE A 359 22.893 104.601 9.441 1.00 18.84 C +ATOM 5127 CG2 ILE A 359 24.119 102.508 10.087 1.00 18.61 C +ATOM 5128 CD1 ILE A 359 22.833 104.258 7.943 1.00 18.04 C +ATOM 5129 H ILE A 359 20.554 104.218 11.016 1.00 19.73 H +ATOM 5130 HA ILE A 359 21.483 102.349 9.099 1.00 19.83 H +ATOM 5131 HB ILE A 359 22.936 103.721 11.404 1.00 19.29 H +ATOM 5132 HG13 ILE A 359 23.778 105.206 9.638 1.00 18.84 H +ATOM 5133 HG12 ILE A 359 22.054 105.248 9.697 1.00 18.84 H +ATOM 5134 HG21 ILE A 359 25.025 103.095 10.236 1.00 18.61 H +ATOM 5135 HG22 ILE A 359 24.123 101.655 10.766 1.00 18.61 H +ATOM 5136 HG23 ILE A 359 24.083 102.152 9.058 1.00 18.61 H +ATOM 5137 HD11 ILE A 359 22.835 105.178 7.358 1.00 18.04 H +ATOM 5138 HD12 ILE A 359 23.700 103.654 7.673 1.00 18.04 H +ATOM 5139 HD13 ILE A 359 21.921 103.698 7.734 1.00 18.04 H +ATOM 5140 N GLY A 360 21.416 101.258 12.214 1.00 20.10 N +ATOM 5141 CA GLY A 360 21.478 100.039 13.000 1.00 20.57 C +ATOM 5142 C GLY A 360 20.502 99.010 12.451 1.00 21.33 C +ATOM 5143 O GLY A 360 20.870 97.852 12.233 1.00 21.98 O +ATOM 5144 H GLY A 360 21.155 102.128 12.655 1.00 20.10 H +ATOM 5145 HA3 GLY A 360 21.225 100.262 14.036 1.00 20.57 H +ATOM 5146 HA2 GLY A 360 22.490 99.635 12.964 1.00 20.57 H +ATOM 5147 N ARG A 361 19.259 99.432 12.220 1.00 20.69 N +ATOM 5148 CA ARG A 361 18.242 98.543 11.683 1.00 21.25 C +ATOM 5149 C ARG A 361 18.583 98.067 10.259 1.00 21.71 C +ATOM 5150 O ARG A 361 18.322 96.911 9.924 1.00 21.08 O +ATOM 5151 CB ARG A 361 16.859 99.224 11.705 1.00 21.00 C +ATOM 5152 CG ARG A 361 16.372 99.622 13.106 1.00 20.99 C +ATOM 5153 CD ARG A 361 14.875 99.948 13.115 1.00 21.13 C +ATOM 5154 NE ARG A 361 14.539 101.059 12.225 1.00 21.42 N +ATOM 5155 CZ ARG A 361 14.697 102.346 12.536 1.00 21.33 C +ATOM 5156 NH1 ARG A 361 15.177 102.688 13.723 1.00 20.34 N +ATOM 5157 NH2 ARG A 361 14.385 103.293 11.657 1.00 20.33 N1+ +ATOM 5158 H ARG A 361 19.005 100.389 12.419 1.00 20.69 H +ATOM 5159 HA ARG A 361 18.192 97.664 12.326 1.00 21.25 H +ATOM 5160 HB3 ARG A 361 16.125 98.565 11.241 1.00 21.00 H +ATOM 5161 HB2 ARG A 361 16.881 100.106 11.065 1.00 21.00 H +ATOM 5162 HG3 ARG A 361 16.934 100.489 13.452 1.00 20.99 H +ATOM 5163 HG2 ARG A 361 16.570 98.808 13.804 1.00 20.99 H +ATOM 5164 HD3 ARG A 361 14.563 100.190 14.131 1.00 21.13 H +ATOM 5165 HD2 ARG A 361 14.310 99.064 12.820 1.00 21.13 H +ATOM 5166 HE ARG A 361 14.165 100.800 11.323 1.00 21.42 H +ATOM 5167 HH12 ARG A 361 15.296 103.663 13.958 1.00 20.34 H +ATOM 5168 HH11 ARG A 361 15.424 101.973 14.393 1.00 20.34 H +ATOM 5169 HH22 ARG A 361 14.507 104.266 11.899 1.00 20.33 H +ATOM 5170 HH21 ARG A 361 14.026 103.039 10.748 1.00 20.33 H +ATOM 5171 N SER A 362 19.174 98.939 9.432 1.00 21.81 N +ATOM 5172 CA SER A 362 19.548 98.554 8.061 1.00 22.48 C +ATOM 5173 C SER A 362 20.591 97.447 8.112 1.00 22.28 C +ATOM 5174 O SER A 362 20.473 96.434 7.418 1.00 21.84 O +ATOM 5175 CB SER A 362 20.151 99.725 7.281 1.00 23.17 C +ATOM 5176 OG SER A 362 19.305 100.852 7.294 1.00 27.08 O +ATOM 5177 H SER A 362 19.370 99.879 9.745 1.00 21.81 H +ATOM 5178 HA SER A 362 18.664 98.190 7.537 1.00 22.48 H +ATOM 5179 HB3 SER A 362 20.332 99.419 6.251 1.00 23.17 H +ATOM 5180 HB2 SER A 362 21.116 99.991 7.714 1.00 23.17 H +ATOM 5181 HG SER A 362 19.179 101.148 8.198 1.00 27.08 H +ATOM 5182 N LEU A 363 21.618 97.661 8.930 1.00 21.92 N +ATOM 5183 CA LEU A 363 22.695 96.689 9.090 1.00 22.84 C +ATOM 5184 C LEU A 363 22.131 95.317 9.449 1.00 23.21 C +ATOM 5185 O LEU A 363 22.572 94.298 8.916 1.00 23.17 O +ATOM 5186 CB LEU A 363 23.664 97.148 10.184 1.00 22.77 C +ATOM 5187 CG LEU A 363 24.565 98.336 9.838 1.00 23.59 C +ATOM 5188 CD1 LEU A 363 25.253 98.847 11.093 1.00 23.79 C +ATOM 5189 CD2 LEU A 363 25.591 97.910 8.793 1.00 24.21 C +ATOM 5190 H LEU A 363 21.669 98.517 9.464 1.00 21.92 H +ATOM 5191 HA LEU A 363 23.239 96.610 8.149 1.00 22.84 H +ATOM 5192 HB3 LEU A 363 24.283 96.305 10.492 1.00 22.77 H +ATOM 5193 HB2 LEU A 363 23.102 97.375 11.089 1.00 22.77 H +ATOM 5194 HG LEU A 363 23.951 99.135 9.423 1.00 23.59 H +ATOM 5195 HD11 LEU A 363 25.892 99.692 10.838 1.00 23.79 H +ATOM 5196 HD12 LEU A 363 24.502 99.165 11.816 1.00 23.79 H +ATOM 5197 HD13 LEU A 363 25.859 98.051 11.526 1.00 23.79 H +ATOM 5198 HD21 LEU A 363 26.233 98.756 8.547 1.00 24.21 H +ATOM 5199 HD22 LEU A 363 26.199 97.096 9.190 1.00 24.21 H +ATOM 5200 HD23 LEU A 363 25.076 97.572 7.894 1.00 24.21 H +ATOM 5201 N GLN A 364 21.157 95.299 10.355 1.00 23.68 N +ATOM 5202 CA GLN A 364 20.527 94.057 10.783 1.00 24.52 C +ATOM 5203 C GLN A 364 19.673 93.398 9.698 1.00 25.15 C +ATOM 5204 O GLN A 364 19.624 92.173 9.603 1.00 24.94 O +ATOM 5205 CB GLN A 364 19.663 94.304 12.017 1.00 24.74 C +ATOM 5206 CG GLN A 364 20.443 94.359 13.318 1.00 26.89 C +ATOM 5207 CD GLN A 364 19.581 94.781 14.488 1.00 27.94 C +ATOM 5208 OE1 GLN A 364 19.053 93.805 15.219 1.00 29.46 O +ATOM 5209 NE2 GLN A 364 19.375 95.974 14.722 1.00 27.89 N +ATOM 5210 H GLN A 364 20.835 96.163 10.768 1.00 23.68 H +ATOM 5211 HA GLN A 364 21.316 93.358 11.060 1.00 24.52 H +ATOM 5212 HB3 GLN A 364 18.900 93.528 12.086 1.00 24.74 H +ATOM 5213 HB2 GLN A 364 19.107 95.233 11.890 1.00 24.74 H +ATOM 5214 HG3 GLN A 364 21.276 95.054 13.212 1.00 26.89 H +ATOM 5215 HG2 GLN A 364 20.877 93.380 13.523 1.00 26.89 H +ATOM 5216 HE22 GLN A 364 18.798 96.242 15.506 1.00 27.89 H +ATOM 5217 HE21 GLN A 364 19.784 96.682 14.129 1.00 27.89 H +ATOM 5218 N SER A 365 18.998 94.200 8.883 1.00 25.58 N +ATOM 5219 CA SER A 365 18.147 93.637 7.839 1.00 27.28 C +ATOM 5220 C SER A 365 18.969 93.082 6.678 1.00 27.85 C +ATOM 5221 O SER A 365 18.489 92.243 5.912 1.00 27.59 O +ATOM 5222 CB SER A 365 17.175 94.696 7.314 1.00 27.06 C +ATOM 5223 OG SER A 365 17.871 95.706 6.607 1.00 28.76 O +ATOM 5224 H SER A 365 19.073 95.202 8.984 1.00 25.58 H +ATOM 5225 HA SER A 365 17.567 92.821 8.271 1.00 27.28 H +ATOM 5226 HB3 SER A 365 16.638 95.143 8.151 1.00 27.06 H +ATOM 5227 HB2 SER A 365 16.448 94.225 6.652 1.00 27.06 H +ATOM 5228 HG SER A 365 18.504 96.129 7.192 1.00 28.76 H +ATOM 5229 N LYS A 366 20.211 93.544 6.564 1.00 28.74 N +ATOM 5230 CA LYS A 366 21.100 93.110 5.493 1.00 29.87 C +ATOM 5231 C LYS A 366 22.099 92.026 5.884 1.00 30.51 C +ATOM 5232 O LYS A 366 22.507 91.232 5.037 1.00 30.43 O +ATOM 5233 CB LYS A 366 21.885 94.304 4.939 1.00 30.62 C +ATOM 5234 CG LYS A 366 21.048 95.372 4.264 1.00 30.68 C +ATOM 5235 CD LYS A 366 21.930 96.539 3.860 1.00 31.93 C +ATOM 5236 CE LYS A 366 21.109 97.671 3.277 1.00 32.15 C +ATOM 5237 NZ LYS A 366 21.974 98.842 2.957 1.00 34.08 N1+ +ATOM 5238 H LYS A 366 20.563 94.216 7.232 1.00 28.74 H +ATOM 5239 HA LYS A 366 20.481 92.717 4.686 1.00 29.87 H +ATOM 5240 HB3 LYS A 366 22.642 93.945 4.242 1.00 30.62 H +ATOM 5241 HB2 LYS A 366 22.467 94.756 5.743 1.00 30.62 H +ATOM 5242 HG3 LYS A 366 20.279 95.720 4.954 1.00 30.68 H +ATOM 5243 HG2 LYS A 366 20.571 94.954 3.378 1.00 30.68 H +ATOM 5244 HD3 LYS A 366 22.660 96.203 3.124 1.00 31.93 H +ATOM 5245 HD2 LYS A 366 22.477 96.899 4.731 1.00 31.93 H +ATOM 5246 HE3 LYS A 366 20.344 97.970 3.993 1.00 32.15 H +ATOM 5247 HE2 LYS A 366 20.611 97.329 2.370 1.00 32.15 H +ATOM 5248 HZ1 LYS A 366 22.901 98.520 2.716 1.00 34.08 H +ATOM 5249 HZ2 LYS A 366 21.581 99.348 2.177 1.00 34.08 H +ATOM 5250 HZ3 LYS A 366 22.028 99.451 3.761 1.00 34.08 H +ATOM 5251 N HIS A 367 22.496 91.975 7.152 1.00 31.33 N +ATOM 5252 CA HIS A 367 23.488 90.981 7.554 1.00 32.30 C +ATOM 5253 C HIS A 367 23.190 90.182 8.823 1.00 33.04 C +ATOM 5254 O HIS A 367 24.141 89.534 9.317 1.00 33.14 O +ATOM 5255 CB HIS A 367 24.854 91.666 7.697 1.00 31.80 C +ATOM 5256 CG HIS A 367 25.189 92.592 6.566 1.00 31.79 C +ATOM 5257 ND1 HIS A 367 25.021 93.959 6.647 1.00 31.61 N +ATOM 5258 CD2 HIS A 367 25.644 92.345 5.314 1.00 31.57 C +ATOM 5259 CE1 HIS A 367 25.356 94.512 5.494 1.00 31.06 C +ATOM 5260 NE2 HIS A 367 25.737 93.555 4.668 1.00 31.13 N +ATOM 5261 H HIS A 367 22.112 92.620 7.827 1.00 31.33 H +ATOM 5262 HA HIS A 367 23.573 90.265 6.737 1.00 32.30 H +ATOM 5263 HB3 HIS A 367 25.631 90.906 7.785 1.00 31.80 H +ATOM 5264 HB2 HIS A 367 24.886 92.216 8.637 1.00 31.80 H +ATOM 5265 HD1 HIS A 367 24.687 94.378 7.503 1.00 31.61 H +ATOM 5266 HD2 HIS A 367 25.857 91.332 5.008 1.00 31.57 H +ATOM 5267 HE1 HIS A 367 25.287 95.583 5.369 1.00 31.06 H +ATOM 5268 N NME A 367A 21.947 90.150 9.423 1.00 0.00 N +ATOM 5269 CA NME A 367A 21.742 89.363 10.630 1.00 0.00 C +ATOM 5270 H NME A 367A 21.181 90.672 9.024 1.00 0.00 H +ATOM 5271 1HA NME A 367A 22.701 88.868 10.903 1.00 0.00 H +ATOM 5272 2HA NME A 367A 21.411 90.026 11.460 1.00 0.00 H +ATOM 5273 3HA NME A 367A 20.959 88.592 10.448 1.00 0.00 H +TER 5274 NME A 367A +ATOM 5275 CH3 ACE B 516 5.363 115.601 34.565 1.00 0.00 C +ATOM 5276 C ACE B 516 4.206 116.587 34.404 1.00 0.00 C +ATOM 5277 O ACE B 516 3.234 116.279 33.718 1.00 0.00 O +ATOM 5278 1H ACE B 516 5.141 114.672 33.993 1.00 0.00 H +ATOM 5279 2H ACE B 516 6.301 116.060 34.182 1.00 0.00 H +ATOM 5280 3H ACE B 516 5.494 115.353 35.642 1.00 0.00 H +ATOM 5281 N PRO B 517 4.250 117.818 35.025 1.00 28.05 N +ATOM 5282 CA PRO B 517 3.269 118.930 35.022 1.00 27.06 C +ATOM 5283 C PRO B 517 3.063 119.411 33.588 1.00 26.98 C +ATOM 5284 O PRO B 517 4.031 119.571 32.845 1.00 26.20 O +ATOM 5285 CB PRO B 517 3.856 120.040 35.880 1.00 27.86 C +ATOM 5286 CG PRO B 517 4.844 119.272 36.759 1.00 27.95 C +ATOM 5287 CD PRO B 517 5.416 118.187 35.848 1.00 27.77 C +ATOM 5288 HA PRO B 517 2.322 118.594 35.443 1.00 27.06 H +ATOM 5289 HB3 PRO B 517 3.071 120.461 36.507 1.00 27.86 H +ATOM 5290 HB2 PRO B 517 4.406 120.732 35.243 1.00 27.86 H +ATOM 5291 HG3 PRO B 517 4.306 118.804 37.583 1.00 27.95 H +ATOM 5292 HG2 PRO B 517 5.646 119.941 37.071 1.00 27.95 H +ATOM 5293 HD2 PRO B 517 6.183 118.623 35.208 1.00 27.77 H +ATOM 5294 HD3 PRO B 517 5.714 117.330 36.453 1.00 27.77 H +ATOM 5295 N VAL B 518 1.810 119.642 33.202 1.00 26.31 N +ATOM 5296 CA VAL B 518 1.509 120.100 31.847 1.00 26.45 C +ATOM 5297 C VAL B 518 2.040 121.497 31.556 1.00 26.89 C +ATOM 5298 O VAL B 518 2.137 121.895 30.397 1.00 27.39 O +ATOM 5299 CB VAL B 518 -0.013 120.105 31.565 1.00 26.21 C +ATOM 5300 CG1 VAL B 518 -0.562 118.692 31.633 1.00 26.27 C +ATOM 5301 CG2 VAL B 518 -0.728 121.016 32.561 1.00 25.65 C +ATOM 5302 H VAL B 518 1.048 119.501 33.850 1.00 26.31 H +ATOM 5303 HA VAL B 518 1.978 119.409 31.146 1.00 26.45 H +ATOM 5304 HB VAL B 518 -0.178 120.493 30.560 1.00 26.21 H +ATOM 5305 HG11 VAL B 518 -1.633 118.707 31.433 1.00 26.27 H +ATOM 5306 HG12 VAL B 518 -0.063 118.071 30.889 1.00 26.27 H +ATOM 5307 HG13 VAL B 518 -0.384 118.280 32.627 1.00 26.27 H +ATOM 5308 HG21 VAL B 518 -1.798 121.013 32.354 1.00 25.65 H +ATOM 5309 HG22 VAL B 518 -0.554 120.655 33.574 1.00 25.65 H +ATOM 5310 HG23 VAL B 518 -0.343 122.032 32.466 1.00 25.65 H +ATOM 5311 N TRP B 519 2.389 122.240 32.604 1.00 27.04 N +ATOM 5312 CA TRP B 519 2.890 123.600 32.428 1.00 27.04 C +ATOM 5313 C TRP B 519 4.410 123.705 32.360 1.00 27.54 C +ATOM 5314 O TRP B 519 4.967 124.800 32.435 1.00 28.18 O +ATOM 5315 CB TRP B 519 2.362 124.508 33.541 1.00 27.37 C +ATOM 5316 CG TRP B 519 2.394 123.889 34.909 1.00 27.40 C +ATOM 5317 CD1 TRP B 519 1.344 123.330 35.582 1.00 28.28 C +ATOM 5318 CD2 TRP B 519 3.535 123.760 35.766 1.00 27.73 C +ATOM 5319 NE1 TRP B 519 1.760 122.862 36.810 1.00 28.89 N +ATOM 5320 CE2 TRP B 519 3.101 123.112 36.948 1.00 28.01 C +ATOM 5321 CE3 TRP B 519 4.883 124.126 35.651 1.00 27.22 C +ATOM 5322 CZ2 TRP B 519 3.968 122.826 38.008 1.00 28.15 C +ATOM 5323 CZ3 TRP B 519 5.745 123.841 36.706 1.00 27.30 C +ATOM 5324 CH2 TRP B 519 5.282 123.197 37.870 1.00 27.56 C +ATOM 5325 H TRP B 519 2.309 121.865 33.538 1.00 27.04 H +ATOM 5326 HA TRP B 519 2.494 123.976 31.485 1.00 27.04 H +ATOM 5327 HB3 TRP B 519 1.342 124.812 33.306 1.00 27.37 H +ATOM 5328 HB2 TRP B 519 2.933 125.437 33.552 1.00 27.37 H +ATOM 5329 HD1 TRP B 519 0.363 123.308 35.131 1.00 28.28 H +ATOM 5330 HE1 TRP B 519 1.099 122.420 37.432 1.00 28.89 H +ATOM 5331 HE3 TRP B 519 5.234 124.618 34.756 1.00 27.22 H +ATOM 5332 HZ2 TRP B 519 3.595 122.331 38.892 1.00 28.15 H +ATOM 5333 HZ3 TRP B 519 6.788 124.114 36.640 1.00 27.30 H +ATOM 5334 HH2 TRP B 519 5.986 122.996 38.663 1.00 27.56 H +ATOM 5335 N SER B 520 5.085 122.570 32.231 1.00 27.57 N +ATOM 5336 CA SER B 520 6.535 122.572 32.126 1.00 27.77 C +ATOM 5337 C SER B 520 6.920 121.477 31.149 1.00 27.55 C +ATOM 5338 O SER B 520 6.457 120.347 31.259 1.00 27.93 O +ATOM 5339 CB SER B 520 7.185 122.320 33.489 1.00 28.23 C +ATOM 5340 OG SER B 520 8.584 122.557 33.433 1.00 29.23 O +ATOM 5341 H SER B 520 4.591 121.689 32.205 1.00 27.57 H +ATOM 5342 HA SER B 520 6.868 123.535 31.739 1.00 27.77 H +ATOM 5343 HB3 SER B 520 7.003 121.289 33.793 1.00 28.23 H +ATOM 5344 HB2 SER B 520 6.735 122.978 34.233 1.00 28.23 H +ATOM 5345 HG SER B 520 9.038 121.934 34.005 1.00 29.23 H +ATOM 5346 N GLU B 521 7.755 121.814 30.179 1.00 27.35 N +ATOM 5347 CA GLU B 521 8.171 120.830 29.190 1.00 27.19 C +ATOM 5348 C GLU B 521 9.675 120.886 28.960 1.00 26.77 C +ATOM 5349 O GLU B 521 10.196 121.855 28.408 1.00 26.57 O +ATOM 5350 CB GLU B 521 7.421 121.065 27.877 1.00 27.05 C +ATOM 5351 CG GLU B 521 7.866 120.186 26.725 1.00 27.34 C +ATOM 5352 CD GLU B 521 6.891 120.234 25.559 1.00 27.90 C +ATOM 5353 OE1 GLU B 521 6.615 121.340 25.044 1.00 26.77 O +ATOM 5354 OE2 GLU B 521 6.397 119.160 25.160 1.00 29.24 O1- +ATOM 5355 H GLU B 521 8.108 122.759 30.122 1.00 27.35 H +ATOM 5356 HA GLU B 521 7.915 119.838 29.561 1.00 27.19 H +ATOM 5357 HB3 GLU B 521 7.516 122.112 27.589 1.00 27.05 H +ATOM 5358 HB2 GLU B 521 6.352 120.929 28.042 1.00 27.05 H +ATOM 5359 HG3 GLU B 521 7.966 119.157 27.071 1.00 27.34 H +ATOM 5360 HG2 GLU B 521 8.852 120.503 26.386 1.00 27.34 H +ATOM 5361 N PRO B 522 10.393 119.848 29.411 1.00 26.46 N +ATOM 5362 CA PRO B 522 11.847 119.738 29.271 1.00 26.25 C +ATOM 5363 C PRO B 522 12.258 119.880 27.807 1.00 25.91 C +ATOM 5364 O PRO B 522 11.597 119.341 26.919 1.00 25.72 O +ATOM 5365 CB PRO B 522 12.134 118.344 29.819 1.00 26.87 C +ATOM 5366 CG PRO B 522 11.081 118.197 30.897 1.00 27.42 C +ATOM 5367 CD PRO B 522 9.851 118.722 30.195 1.00 26.74 C +ATOM 5368 HA PRO B 522 12.344 120.494 29.879 1.00 26.25 H +ATOM 5369 HB3 PRO B 522 13.122 118.336 30.280 1.00 26.87 H +ATOM 5370 HB2 PRO B 522 11.953 117.606 29.037 1.00 26.87 H +ATOM 5371 HG3 PRO B 522 11.327 118.855 31.730 1.00 27.42 H +ATOM 5372 HG2 PRO B 522 10.942 117.139 31.119 1.00 27.42 H +ATOM 5373 HD2 PRO B 522 9.473 117.960 29.514 1.00 26.74 H +ATOM 5374 HD3 PRO B 522 9.151 119.106 30.937 1.00 26.74 H +ATOM 5375 N LEU B 523 13.346 120.602 27.559 1.00 24.56 N +ATOM 5376 CA LEU B 523 13.817 120.809 26.195 1.00 23.65 C +ATOM 5377 C LEU B 523 15.194 120.205 25.944 1.00 23.44 C +ATOM 5378 O LEU B 523 16.089 120.277 26.785 1.00 23.40 O +ATOM 5379 CB LEU B 523 13.847 122.307 25.868 1.00 23.01 C +ATOM 5380 CG LEU B 523 12.498 123.039 25.895 1.00 22.66 C +ATOM 5381 CD1 LEU B 523 12.706 124.523 25.632 1.00 21.95 C +ATOM 5382 CD2 LEU B 523 11.555 122.421 24.855 1.00 22.52 C +ATOM 5383 H LEU B 523 13.860 121.019 28.322 1.00 24.56 H +ATOM 5384 HA LEU B 523 13.110 120.330 25.518 1.00 23.65 H +ATOM 5385 HB3 LEU B 523 14.316 122.453 24.895 1.00 23.01 H +ATOM 5386 HB2 LEU B 523 14.541 122.808 26.544 1.00 23.01 H +ATOM 5387 HG LEU B 523 12.055 122.918 26.883 1.00 22.66 H +ATOM 5388 HD11 LEU B 523 11.744 125.034 25.653 1.00 21.95 H +ATOM 5389 HD12 LEU B 523 13.356 124.941 26.401 1.00 21.95 H +ATOM 5390 HD13 LEU B 523 13.168 124.658 24.654 1.00 21.95 H +ATOM 5391 HD21 LEU B 523 10.598 122.942 24.876 1.00 22.52 H +ATOM 5392 HD22 LEU B 523 11.997 122.513 23.863 1.00 22.52 H +ATOM 5393 HD23 LEU B 523 11.399 121.367 25.087 1.00 22.52 H +ATOM 5394 N TYR B 524 15.350 119.610 24.767 1.00 23.54 N +ATOM 5395 CA TYR B 524 16.605 118.990 24.353 1.00 23.94 C +ATOM 5396 C TYR B 524 17.779 119.968 24.468 1.00 24.63 C +ATOM 5397 O TYR B 524 18.832 119.646 25.020 1.00 24.47 O +ATOM 5398 CB TYR B 524 16.471 118.529 22.899 1.00 23.00 C +ATOM 5399 CG TYR B 524 17.711 117.914 22.295 1.00 22.94 C +ATOM 5400 CD1 TYR B 524 18.119 116.625 22.641 1.00 22.38 C +ATOM 5401 CD2 TYR B 524 18.443 118.599 21.323 1.00 22.31 C +ATOM 5402 CE1 TYR B 524 19.220 116.028 22.024 1.00 22.86 C +ATOM 5403 CE2 TYR B 524 19.551 118.014 20.702 1.00 22.18 C +ATOM 5404 CZ TYR B 524 19.928 116.729 21.053 1.00 22.58 C +ATOM 5405 OH TYR B 524 20.998 116.138 20.421 1.00 22.27 O +ATOM 5406 H TYR B 524 14.580 119.572 24.114 1.00 23.54 H +ATOM 5407 HA TYR B 524 16.800 118.124 24.985 1.00 23.94 H +ATOM 5408 HB3 TYR B 524 16.148 119.368 22.283 1.00 23.00 H +ATOM 5409 HB2 TYR B 524 15.644 117.823 22.820 1.00 23.00 H +ATOM 5410 HD1 TYR B 524 17.580 116.073 23.397 1.00 22.38 H +ATOM 5411 HD2 TYR B 524 18.157 119.601 21.038 1.00 22.31 H +ATOM 5412 HE1 TYR B 524 19.518 115.027 22.301 1.00 22.86 H +ATOM 5413 HE2 TYR B 524 20.104 118.563 19.955 1.00 22.18 H +ATOM 5414 HH TYR B 524 21.633 116.812 20.169 1.00 22.27 H +ATOM 5415 N SER B 525 17.580 121.171 23.945 1.00 24.82 N +ATOM 5416 CA SER B 525 18.616 122.190 23.952 1.00 25.99 C +ATOM 5417 C SER B 525 18.998 122.681 25.339 1.00 26.35 C +ATOM 5418 O SER B 525 20.053 123.283 25.507 1.00 25.63 O +ATOM 5419 CB SER B 525 18.171 123.381 23.099 1.00 25.85 C +ATOM 5420 OG SER B 525 17.782 122.953 21.812 1.00 26.25 O +ATOM 5421 H SER B 525 16.689 121.399 23.527 1.00 24.82 H +ATOM 5422 HA SER B 525 19.507 121.764 23.491 1.00 25.99 H +ATOM 5423 HB3 SER B 525 18.992 124.092 23.013 1.00 25.85 H +ATOM 5424 HB2 SER B 525 17.333 123.881 23.584 1.00 25.85 H +ATOM 5425 HG SER B 525 16.917 122.540 21.859 1.00 26.25 H +ATOM 5426 N LEU B 526 18.148 122.426 26.328 1.00 27.64 N +ATOM 5427 CA LEU B 526 18.422 122.876 27.687 1.00 29.34 C +ATOM 5428 C LEU B 526 18.976 121.793 28.612 1.00 30.37 C +ATOM 5429 O LEU B 526 19.203 122.053 29.790 1.00 30.82 O +ATOM 5430 CB LEU B 526 17.158 123.475 28.312 1.00 29.89 C +ATOM 5431 CG LEU B 526 16.412 124.568 27.540 1.00 30.13 C +ATOM 5432 CD1 LEU B 526 15.392 125.222 28.461 1.00 30.57 C +ATOM 5433 CD2 LEU B 526 17.382 125.604 27.022 1.00 30.57 C +ATOM 5434 H LEU B 526 17.297 121.914 26.144 1.00 27.64 H +ATOM 5435 HA LEU B 526 19.167 123.669 27.627 1.00 29.34 H +ATOM 5436 HB3 LEU B 526 17.394 123.842 29.311 1.00 29.89 H +ATOM 5437 HB2 LEU B 526 16.463 122.671 28.552 1.00 29.89 H +ATOM 5438 HG LEU B 526 15.891 124.116 26.697 1.00 30.13 H +ATOM 5439 HD11 LEU B 526 14.858 126.001 27.917 1.00 30.57 H +ATOM 5440 HD12 LEU B 526 14.683 124.472 28.809 1.00 30.57 H +ATOM 5441 HD13 LEU B 526 15.904 125.663 29.316 1.00 30.57 H +ATOM 5442 HD21 LEU B 526 16.836 126.373 26.476 1.00 30.57 H +ATOM 5443 HD22 LEU B 526 17.910 126.059 27.860 1.00 30.57 H +ATOM 5444 HD23 LEU B 526 18.101 125.128 26.356 1.00 30.57 H +ATOM 5445 N ARG B 527 19.184 120.586 28.094 1.00 31.46 N +ATOM 5446 CA ARG B 527 19.739 119.503 28.908 1.00 32.70 C +ATOM 5447 C ARG B 527 21.166 119.889 29.281 1.00 32.79 C +ATOM 5448 O ARG B 527 21.834 120.604 28.535 1.00 32.38 O +ATOM 5449 CB ARG B 527 19.774 118.186 28.127 1.00 34.50 C +ATOM 5450 CG ARG B 527 18.418 117.652 27.706 1.00 37.45 C +ATOM 5451 CD ARG B 527 18.556 116.339 26.945 1.00 40.17 C +ATOM 5452 NE ARG B 527 17.260 115.807 26.523 1.00 42.98 N +ATOM 5453 CZ ARG B 527 17.102 114.721 25.769 1.00 44.23 C +ATOM 5454 NH1 ARG B 527 18.163 114.040 25.351 1.00 44.43 N +ATOM 5455 NH2 ARG B 527 15.882 114.318 25.422 1.00 44.23 N1+ +ATOM 5456 H ARG B 527 18.958 120.406 27.126 1.00 31.46 H +ATOM 5457 HA ARG B 527 19.143 119.379 29.812 1.00 32.70 H +ATOM 5458 HB3 ARG B 527 20.292 117.430 28.717 1.00 34.50 H +ATOM 5459 HB2 ARG B 527 20.403 118.307 27.245 1.00 34.50 H +ATOM 5460 HG3 ARG B 527 17.918 118.386 27.075 1.00 37.45 H +ATOM 5461 HG2 ARG B 527 17.800 117.495 28.590 1.00 37.45 H +ATOM 5462 HD3 ARG B 527 19.060 115.606 27.575 1.00 40.17 H +ATOM 5463 HD2 ARG B 527 19.188 116.492 26.070 1.00 40.17 H +ATOM 5464 HE ARG B 527 16.452 116.323 26.842 1.00 42.98 H +ATOM 5465 HH12 ARG B 527 18.041 113.216 24.779 1.00 44.43 H +ATOM 5466 HH11 ARG B 527 19.091 114.347 25.604 1.00 44.43 H +ATOM 5467 HH22 ARG B 527 15.766 113.494 24.851 1.00 44.23 H +ATOM 5468 HH21 ARG B 527 15.072 114.837 25.731 1.00 44.23 H +ATOM 5469 N PRO B 528 21.658 119.419 30.439 1.00 32.93 N +ATOM 5470 CA PRO B 528 23.024 119.759 30.847 1.00 32.44 C +ATOM 5471 C PRO B 528 24.093 119.199 29.911 1.00 31.66 C +ATOM 5472 O PRO B 528 25.131 119.826 29.707 1.00 31.67 O +ATOM 5473 CB PRO B 528 23.113 119.187 32.264 1.00 32.58 C +ATOM 5474 CG PRO B 528 22.202 118.006 32.202 1.00 32.92 C +ATOM 5475 CD PRO B 528 21.010 118.563 31.448 1.00 32.83 C +ATOM 5476 HA PRO B 528 23.123 120.843 30.893 1.00 32.44 H +ATOM 5477 HB3 PRO B 528 22.712 119.914 32.970 1.00 32.58 H +ATOM 5478 HB2 PRO B 528 24.131 118.846 32.450 1.00 32.58 H +ATOM 5479 HG3 PRO B 528 21.894 117.738 33.212 1.00 32.92 H +ATOM 5480 HG2 PRO B 528 22.670 117.223 31.605 1.00 32.92 H +ATOM 5481 HD2 PRO B 528 20.490 117.748 30.946 1.00 32.83 H +ATOM 5482 HD3 PRO B 528 20.420 119.186 32.121 1.00 32.83 H +ATOM 5483 N GLU B 529 23.840 118.029 29.331 1.00 31.52 N +ATOM 5484 CA GLU B 529 24.808 117.424 28.417 1.00 31.19 C +ATOM 5485 C GLU B 529 24.907 118.223 27.127 1.00 29.66 C +ATOM 5486 O GLU B 529 25.867 118.079 26.378 1.00 29.30 O +ATOM 5487 CB GLU B 529 24.414 115.997 28.025 1.00 33.28 C +ATOM 5488 CG GLU B 529 23.704 115.183 29.071 1.00 37.45 C +ATOM 5489 CD GLU B 529 22.214 115.446 29.088 1.00 38.87 C +ATOM 5490 OE1 GLU B 529 21.791 116.419 29.745 1.00 40.03 O +ATOM 5491 OE2 GLU B 529 21.467 114.681 28.432 1.00 40.64 O1- +ATOM 5492 H GLU B 529 22.972 117.549 29.520 1.00 31.52 H +ATOM 5493 HA GLU B 529 25.786 117.404 28.898 1.00 31.19 H +ATOM 5494 HB3 GLU B 529 25.301 115.458 27.692 1.00 33.28 H +ATOM 5495 HB2 GLU B 529 23.806 116.028 27.121 1.00 33.28 H +ATOM 5496 HG3 GLU B 529 24.123 115.408 30.051 1.00 37.45 H +ATOM 5497 HG2 GLU B 529 23.883 114.123 28.888 1.00 37.45 H +ATOM 5498 N HIS B 530 23.910 119.053 26.853 1.00 27.87 N +ATOM 5499 CA HIS B 530 23.922 119.811 25.615 1.00 26.91 C +ATOM 5500 C HIS B 530 25.126 120.742 25.497 1.00 26.64 C +ATOM 5501 O HIS B 530 25.585 121.031 24.388 1.00 25.56 O +ATOM 5502 CB HIS B 530 22.616 120.589 25.455 1.00 26.09 C +ATOM 5503 CG HIS B 530 22.368 121.047 24.055 1.00 25.74 C +ATOM 5504 ND1 HIS B 530 21.978 120.364 22.952 1.00 25.90 N +ATOM 5505 CD2 HIS B 530 22.573 122.348 23.647 1.00 25.26 C +ATOM 5506 CE1 HIS B 530 21.957 121.257 21.910 1.00 24.88 C +ATOM 5507 NE2 HIS B 530 22.319 122.446 22.355 1.00 25.53 N +ATOM 5508 H HIS B 530 23.145 119.156 27.504 1.00 27.87 H +ATOM 5509 HA HIS B 530 23.980 119.097 24.794 1.00 26.91 H +ATOM 5510 HB3 HIS B 530 22.625 121.452 26.122 1.00 26.09 H +ATOM 5511 HB2 HIS B 530 21.783 119.969 25.786 1.00 26.09 H +ATOM 5512 HD2 HIS B 530 22.872 123.044 24.315 1.00 25.26 H +ATOM 5513 HE1 HIS B 530 21.691 120.948 20.985 1.00 24.88 H +ATOM 5514 HE2 HIS B 530 22.425 123.398 21.855 1.00 25.53 H +ATOM 5515 N ALA B 531 25.650 121.195 26.635 1.00 26.50 N +ATOM 5516 CA ALA B 531 26.814 122.077 26.634 1.00 26.79 C +ATOM 5517 C ALA B 531 27.993 121.383 25.959 1.00 27.34 C +ATOM 5518 O ALA B 531 28.899 122.039 25.442 1.00 26.72 O +ATOM 5519 CB ALA B 531 27.186 122.468 28.058 1.00 26.48 C +ATOM 5520 H ALA B 531 25.242 120.928 27.519 1.00 26.50 H +ATOM 5521 HA ALA B 531 26.570 122.979 26.074 1.00 26.79 H +ATOM 5522 HB1 ALA B 531 28.055 123.125 28.040 1.00 26.48 H +ATOM 5523 HB2 ALA B 531 26.348 122.987 28.523 1.00 26.48 H +ATOM 5524 HB3 ALA B 531 27.421 121.572 28.632 1.00 26.48 H +ATOM 5525 N ARG B 532 27.979 120.054 25.956 1.00 28.34 N +ATOM 5526 CA ARG B 532 29.060 119.304 25.329 1.00 30.17 C +ATOM 5527 C ARG B 532 29.041 119.424 23.814 1.00 29.68 C +ATOM 5528 O ARG B 532 30.032 119.117 23.155 1.00 29.67 O +ATOM 5529 CB ARG B 532 28.991 117.826 25.707 1.00 32.99 C +ATOM 5530 CG ARG B 532 30.003 117.427 26.757 1.00 37.90 C +ATOM 5531 CD ARG B 532 29.359 117.269 28.120 1.00 41.37 C +ATOM 5532 NE ARG B 532 28.651 115.998 28.236 1.00 44.33 N +ATOM 5533 CZ ARG B 532 28.037 115.584 29.341 1.00 46.02 C +ATOM 5534 NH1 ARG B 532 28.039 116.344 30.433 1.00 46.36 N +ATOM 5535 NH2 ARG B 532 27.428 114.403 29.357 1.00 46.67 N1+ +ATOM 5536 H ARG B 532 27.215 119.556 26.389 1.00 28.34 H +ATOM 5537 HA ARG B 532 30.007 119.705 25.691 1.00 30.17 H +ATOM 5538 HB3 ARG B 532 29.137 117.217 24.814 1.00 32.99 H +ATOM 5539 HB2 ARG B 532 27.988 117.589 26.063 1.00 32.99 H +ATOM 5540 HG3 ARG B 532 30.786 118.183 26.812 1.00 37.90 H +ATOM 5541 HG2 ARG B 532 30.475 116.487 26.468 1.00 37.90 H +ATOM 5542 HD3 ARG B 532 28.662 118.089 28.288 1.00 41.37 H +ATOM 5543 HD2 ARG B 532 30.125 117.329 28.892 1.00 41.37 H +ATOM 5544 HE ARG B 532 28.645 115.419 27.408 1.00 44.33 H +ATOM 5545 HH12 ARG B 532 27.572 116.027 31.271 1.00 46.36 H +ATOM 5546 HH11 ARG B 532 28.508 117.239 30.425 1.00 46.36 H +ATOM 5547 HH22 ARG B 532 26.961 114.087 30.195 1.00 46.67 H +ATOM 5548 HH21 ARG B 532 27.432 113.822 28.532 1.00 46.67 H +ATOM 5549 N GLU B 533 27.916 119.871 23.265 1.00 28.87 N +ATOM 5550 CA GLU B 533 27.783 120.009 21.817 1.00 28.76 C +ATOM 5551 C GLU B 533 28.404 121.298 21.273 1.00 28.02 C +ATOM 5552 O GLU B 533 28.368 121.558 20.063 1.00 27.46 O +ATOM 5553 CB GLU B 533 26.307 119.924 21.419 1.00 28.75 C +ATOM 5554 CG GLU B 533 25.628 118.636 21.862 1.00 30.23 C +ATOM 5555 CD GLU B 533 26.371 117.397 21.393 1.00 31.88 C +ATOM 5556 OE1 GLU B 533 26.790 117.361 20.221 1.00 33.35 O +ATOM 5557 OE2 GLU B 533 26.533 116.452 22.190 1.00 33.24 O1- +ATOM 5558 H GLU B 533 27.133 120.123 23.851 1.00 28.87 H +ATOM 5559 HA GLU B 533 28.301 119.169 21.354 1.00 28.76 H +ATOM 5560 HB3 GLU B 533 26.218 120.027 20.337 1.00 28.75 H +ATOM 5561 HB2 GLU B 533 25.771 120.777 21.835 1.00 28.75 H +ATOM 5562 HG3 GLU B 533 24.608 118.613 21.479 1.00 30.23 H +ATOM 5563 HG2 GLU B 533 25.551 118.622 22.949 1.00 30.23 H +ATOM 5564 N ARG B 534 28.976 122.102 22.168 1.00 27.39 N +ATOM 5565 CA ARG B 534 29.616 123.347 21.762 1.00 26.62 C +ATOM 5566 C ARG B 534 30.820 123.016 20.895 1.00 26.16 C +ATOM 5567 O ARG B 534 31.463 121.979 21.073 1.00 25.12 O +ATOM 5568 CB ARG B 534 30.069 124.153 22.988 1.00 27.47 C +ATOM 5569 CG ARG B 534 28.930 124.829 23.752 1.00 29.16 C +ATOM 5570 CD ARG B 534 28.204 125.850 22.882 1.00 30.16 C +ATOM 5571 NE ARG B 534 28.960 127.089 22.697 1.00 31.52 N +ATOM 5572 CZ ARG B 534 28.960 128.104 23.560 1.00 32.33 C +ATOM 5573 NH1 ARG B 534 28.243 128.038 24.679 1.00 32.14 N +ATOM 5574 NH2 ARG B 534 29.664 129.199 23.297 1.00 32.39 N1+ +ATOM 5575 H ARG B 534 28.971 121.853 23.147 1.00 27.39 H +ATOM 5576 HA ARG B 534 28.909 123.941 21.183 1.00 26.62 H +ATOM 5577 HB3 ARG B 534 30.792 124.907 22.677 1.00 27.47 H +ATOM 5578 HB2 ARG B 534 30.622 123.501 23.665 1.00 27.47 H +ATOM 5579 HG3 ARG B 534 29.331 125.325 24.636 1.00 29.16 H +ATOM 5580 HG2 ARG B 534 28.222 124.072 24.091 1.00 29.16 H +ATOM 5581 HD3 ARG B 534 27.235 126.080 23.326 1.00 30.16 H +ATOM 5582 HD2 ARG B 534 27.989 125.408 21.909 1.00 30.16 H +ATOM 5583 HE ARG B 534 29.507 127.146 21.850 1.00 31.52 H +ATOM 5584 HH12 ARG B 534 28.247 128.811 25.328 1.00 32.14 H +ATOM 5585 HH11 ARG B 534 27.694 127.213 24.878 1.00 32.14 H +ATOM 5586 HH22 ARG B 534 29.664 129.969 23.951 1.00 32.39 H +ATOM 5587 HH21 ARG B 534 30.199 129.262 22.443 1.00 32.39 H +ATOM 5588 N LEU B 535 31.116 123.908 19.961 1.00 25.63 N +ATOM 5589 CA LEU B 535 32.232 123.739 19.042 1.00 26.28 C +ATOM 5590 C LEU B 535 33.572 123.427 19.717 1.00 26.25 C +ATOM 5591 O LEU B 535 33.906 123.978 20.765 1.00 26.01 O +ATOM 5592 CB LEU B 535 32.389 125.009 18.193 1.00 26.62 C +ATOM 5593 CG LEU B 535 33.567 125.056 17.215 1.00 26.68 C +ATOM 5594 CD1 LEU B 535 33.387 123.971 16.166 1.00 26.77 C +ATOM 5595 CD2 LEU B 535 33.650 126.432 16.555 1.00 26.13 C +ATOM 5596 H LEU B 535 30.558 124.744 19.866 1.00 25.63 H +ATOM 5597 HA LEU B 535 31.993 122.914 18.371 1.00 26.28 H +ATOM 5598 HB3 LEU B 535 32.435 125.877 18.851 1.00 26.62 H +ATOM 5599 HB2 LEU B 535 31.463 125.192 17.647 1.00 26.62 H +ATOM 5600 HG LEU B 535 34.490 124.869 17.763 1.00 26.68 H +ATOM 5601 HD11 LEU B 535 34.222 123.999 15.466 1.00 26.77 H +ATOM 5602 HD12 LEU B 535 33.354 122.996 16.653 1.00 26.77 H +ATOM 5603 HD13 LEU B 535 32.455 124.138 15.625 1.00 26.77 H +ATOM 5604 HD21 LEU B 535 34.491 126.454 15.862 1.00 26.13 H +ATOM 5605 HD22 LEU B 535 32.727 126.632 16.011 1.00 26.13 H +ATOM 5606 HD23 LEU B 535 33.792 127.195 17.321 1.00 26.13 H +ATOM 5607 N GLN B 536 34.322 122.518 19.110 1.00 26.15 N +ATOM 5608 CA GLN B 536 35.652 122.159 19.587 1.00 26.61 C +ATOM 5609 C GLN B 536 36.554 122.610 18.445 1.00 26.56 C +ATOM 5610 O GLN B 536 36.637 121.938 17.420 1.00 26.76 O +ATOM 5611 CB GLN B 536 35.764 120.644 19.805 1.00 26.75 C +ATOM 5612 CG GLN B 536 35.275 120.192 21.184 1.00 27.09 C +ATOM 5613 CD GLN B 536 35.218 118.684 21.334 1.00 27.85 C +ATOM 5614 OE1 GLN B 536 36.329 118.092 21.749 1.00 28.39 O +ATOM 5615 NE2 GLN B 536 34.187 118.056 21.071 1.00 27.26 N +ATOM 5616 H GLN B 536 33.977 122.046 18.287 1.00 26.15 H +ATOM 5617 HA GLN B 536 35.891 122.699 20.503 1.00 26.61 H +ATOM 5618 HB3 GLN B 536 36.800 120.334 19.669 1.00 26.75 H +ATOM 5619 HB2 GLN B 536 35.198 120.124 19.032 1.00 26.75 H +ATOM 5620 HG3 GLN B 536 34.287 120.612 21.373 1.00 27.09 H +ATOM 5621 HG2 GLN B 536 35.926 120.608 21.953 1.00 27.09 H +ATOM 5622 HE22 GLN B 536 34.167 117.052 21.177 1.00 27.26 H +ATOM 5623 HE21 GLN B 536 33.365 118.547 20.750 1.00 27.26 H +ATOM 5624 N ASP B 537 37.207 123.759 18.605 1.00 26.54 N +ATOM 5625 CA ASP B 537 38.062 124.274 17.541 1.00 27.22 C +ATOM 5626 C ASP B 537 39.487 123.737 17.523 1.00 26.96 C +ATOM 5627 O ASP B 537 40.316 124.219 16.753 1.00 26.75 O +ATOM 5628 CB ASP B 537 38.098 125.805 17.561 1.00 27.84 C +ATOM 5629 CG ASP B 537 38.809 126.371 18.782 1.00 29.02 C +ATOM 5630 OD1 ASP B 537 39.382 125.591 19.573 1.00 29.27 O +ATOM 5631 OD2 ASP B 537 38.796 127.610 18.941 1.00 29.71 O1- +ATOM 5632 H ASP B 537 37.112 124.279 19.466 1.00 26.54 H +ATOM 5633 HA ASP B 537 37.602 123.982 16.598 1.00 27.22 H +ATOM 5634 HB3 ASP B 537 37.080 126.192 17.524 1.00 27.84 H +ATOM 5635 HB2 ASP B 537 38.588 126.168 16.657 1.00 27.84 H +ATOM 5636 N ASP B 538 39.762 122.737 18.356 1.00 26.99 N +ATOM 5637 CA ASP B 538 41.091 122.123 18.424 1.00 27.45 C +ATOM 5638 C ASP B 538 42.216 123.144 18.627 1.00 28.10 C +ATOM 5639 O ASP B 538 43.362 122.891 18.264 1.00 28.25 O +ATOM 5640 CB ASP B 538 41.356 121.319 17.143 1.00 26.60 C +ATOM 5641 CG ASP B 538 40.237 120.324 16.836 1.00 26.94 C +ATOM 5642 OD1 ASP B 538 39.901 119.510 17.725 1.00 25.71 O +ATOM 5643 OD2 ASP B 538 39.696 120.356 15.708 1.00 26.14 O1- +ATOM 5644 H ASP B 538 39.043 122.378 18.968 1.00 26.99 H +ATOM 5645 HA ASP B 538 41.103 121.433 19.267 1.00 27.45 H +ATOM 5646 HB3 ASP B 538 42.300 120.784 17.241 1.00 26.60 H +ATOM 5647 HB2 ASP B 538 41.473 122.003 16.303 1.00 26.60 H +ATOM 5648 N SER B 539 41.886 124.293 19.206 1.00 28.84 N +ATOM 5649 CA SER B 539 42.871 125.344 19.443 1.00 29.75 C +ATOM 5650 C SER B 539 43.466 125.871 18.142 1.00 30.09 C +ATOM 5651 O SER B 539 44.576 126.396 18.127 1.00 30.70 O +ATOM 5652 CB SER B 539 43.999 124.834 20.345 1.00 30.14 C +ATOM 5653 OG SER B 539 43.515 124.535 21.643 1.00 31.27 O +ATOM 5654 H SER B 539 40.932 124.457 19.496 1.00 28.84 H +ATOM 5655 HA SER B 539 42.374 126.171 19.952 1.00 29.75 H +ATOM 5656 HB3 SER B 539 44.779 125.592 20.414 1.00 30.14 H +ATOM 5657 HB2 SER B 539 44.438 123.938 19.905 1.00 30.14 H +ATOM 5658 HG SER B 539 43.573 125.318 22.196 1.00 31.27 H +ATOM 5659 N VAL B 540 42.732 125.717 17.046 1.00 29.92 N +ATOM 5660 CA VAL B 540 43.192 126.206 15.752 1.00 29.45 C +ATOM 5661 C VAL B 540 42.078 127.084 15.204 1.00 29.43 C +ATOM 5662 O VAL B 540 41.079 126.590 14.687 1.00 29.28 O +ATOM 5663 CB VAL B 540 43.480 125.048 14.771 1.00 29.10 C +ATOM 5664 CG1 VAL B 540 43.990 125.598 13.445 1.00 28.46 C +ATOM 5665 CG2 VAL B 540 44.506 124.112 15.370 1.00 28.77 C +ATOM 5666 H VAL B 540 41.836 125.254 17.099 1.00 29.92 H +ATOM 5667 HA VAL B 540 44.094 126.802 15.887 1.00 29.45 H +ATOM 5668 HB VAL B 540 42.557 124.495 14.594 1.00 29.10 H +ATOM 5669 HG11 VAL B 540 44.190 124.773 12.761 1.00 28.46 H +ATOM 5670 HG12 VAL B 540 43.237 126.256 13.010 1.00 28.46 H +ATOM 5671 HG13 VAL B 540 44.909 126.160 13.614 1.00 28.46 H +ATOM 5672 HG21 VAL B 540 44.705 123.297 14.674 1.00 28.77 H +ATOM 5673 HG22 VAL B 540 45.429 124.659 15.562 1.00 28.77 H +ATOM 5674 HG23 VAL B 540 44.124 123.705 16.306 1.00 28.77 H +ATOM 5675 N GLU B 541 42.258 128.392 15.332 1.00 29.41 N +ATOM 5676 CA GLU B 541 41.254 129.342 14.885 1.00 30.07 C +ATOM 5677 C GLU B 541 41.396 129.803 13.443 1.00 29.01 C +ATOM 5678 O GLU B 541 42.493 130.094 12.970 1.00 29.18 O +ATOM 5679 CB GLU B 541 41.258 130.577 15.790 1.00 31.87 C +ATOM 5680 CG GLU B 541 41.225 130.279 17.275 1.00 35.12 C +ATOM 5681 CD GLU B 541 40.982 131.530 18.109 1.00 37.47 C +ATOM 5682 OE1 GLU B 541 41.643 132.561 17.850 1.00 38.23 O +ATOM 5683 OE2 GLU B 541 40.132 131.483 19.025 1.00 39.15 O1- +ATOM 5684 H GLU B 541 43.107 128.747 15.749 1.00 29.41 H +ATOM 5685 HA GLU B 541 40.280 128.863 14.984 1.00 30.07 H +ATOM 5686 HB3 GLU B 541 40.414 131.216 15.532 1.00 31.87 H +ATOM 5687 HB2 GLU B 541 42.132 131.187 15.564 1.00 31.87 H +ATOM 5688 HG3 GLU B 541 42.168 129.822 17.575 1.00 35.12 H +ATOM 5689 HG2 GLU B 541 40.443 129.549 17.482 1.00 35.12 H +ATOM 5690 N THR B 542 40.263 129.860 12.753 1.00 27.66 N +ATOM 5691 CA THR B 542 40.201 130.333 11.376 1.00 26.36 C +ATOM 5692 C THR B 542 38.893 131.103 11.330 1.00 25.55 C +ATOM 5693 O THR B 542 38.080 130.989 12.247 1.00 25.00 O +ATOM 5694 CB THR B 542 40.148 129.179 10.352 1.00 25.94 C +ATOM 5695 OG1 THR B 542 38.971 128.395 10.570 1.00 26.52 O +ATOM 5696 CG2 THR B 542 41.381 128.297 10.476 1.00 25.63 C +ATOM 5697 H THR B 542 39.396 129.567 13.181 1.00 27.66 H +ATOM 5698 HA THR B 542 41.041 130.995 11.163 1.00 26.36 H +ATOM 5699 HB THR B 542 40.113 129.599 9.346 1.00 25.94 H +ATOM 5700 HG1 THR B 542 38.688 128.004 9.741 1.00 26.52 H +ATOM 5701 HG21 THR B 542 41.326 127.490 9.747 1.00 25.63 H +ATOM 5702 HG22 THR B 542 42.275 128.893 10.292 1.00 25.63 H +ATOM 5703 HG23 THR B 542 41.427 127.876 11.481 1.00 25.63 H +ATOM 5704 N VAL B 543 38.695 131.894 10.286 1.00 24.86 N +ATOM 5705 CA VAL B 543 37.470 132.669 10.157 1.00 25.10 C +ATOM 5706 C VAL B 543 36.244 131.788 10.389 1.00 24.71 C +ATOM 5707 O VAL B 543 35.279 132.214 11.018 1.00 24.35 O +ATOM 5708 CB VAL B 543 37.374 133.326 8.759 1.00 25.72 C +ATOM 5709 CG1 VAL B 543 36.009 133.986 8.572 1.00 26.54 C +ATOM 5710 CG2 VAL B 543 38.475 134.369 8.613 1.00 26.26 C +ATOM 5711 H VAL B 543 39.399 131.966 9.566 1.00 24.86 H +ATOM 5712 HA VAL B 543 37.478 133.457 10.910 1.00 25.10 H +ATOM 5713 HB VAL B 543 37.506 132.559 7.996 1.00 25.72 H +ATOM 5714 HG11 VAL B 543 35.959 134.443 7.583 1.00 26.54 H +ATOM 5715 HG12 VAL B 543 35.225 133.235 8.664 1.00 26.54 H +ATOM 5716 HG13 VAL B 543 35.868 134.753 9.334 1.00 26.54 H +ATOM 5717 HG21 VAL B 543 38.409 134.832 7.629 1.00 26.26 H +ATOM 5718 HG22 VAL B 543 38.358 135.132 9.383 1.00 26.26 H +ATOM 5719 HG23 VAL B 543 39.448 133.889 8.724 1.00 26.26 H +ATOM 5720 N THR B 544 36.294 130.555 9.896 1.00 24.45 N +ATOM 5721 CA THR B 544 35.176 129.639 10.053 1.00 24.10 C +ATOM 5722 C THR B 544 34.812 129.336 11.504 1.00 24.51 C +ATOM 5723 O THR B 544 33.652 129.501 11.898 1.00 23.84 O +ATOM 5724 CB THR B 544 35.434 128.304 9.327 1.00 23.93 C +ATOM 5725 OG1 THR B 544 35.532 128.538 7.915 1.00 24.00 O +ATOM 5726 CG2 THR B 544 34.290 127.322 9.593 1.00 22.71 C +ATOM 5727 H THR B 544 37.118 130.241 9.404 1.00 24.45 H +ATOM 5728 HA THR B 544 34.306 130.102 9.587 1.00 24.10 H +ATOM 5729 HB THR B 544 36.369 127.874 9.687 1.00 23.93 H +ATOM 5730 HG1 THR B 544 36.384 128.933 7.714 1.00 24.00 H +ATOM 5731 HG21 THR B 544 34.487 126.385 9.074 1.00 22.71 H +ATOM 5732 HG22 THR B 544 34.213 127.135 10.664 1.00 22.71 H +ATOM 5733 HG23 THR B 544 33.354 127.748 9.232 1.00 22.71 H +ATOM 5734 N SER B 545 35.785 128.896 12.302 1.00 24.46 N +ATOM 5735 CA SER B 545 35.496 128.572 13.696 1.00 25.06 C +ATOM 5736 C SER B 545 35.090 129.797 14.508 1.00 25.22 C +ATOM 5737 O SER B 545 34.221 129.713 15.377 1.00 25.66 O +ATOM 5738 CB SER B 545 36.691 127.863 14.361 1.00 24.62 C +ATOM 5739 OG SER B 545 37.870 128.650 14.345 1.00 23.76 O +ATOM 5740 H SER B 545 36.722 128.787 11.942 1.00 24.46 H +ATOM 5741 HA SER B 545 34.655 127.878 13.705 1.00 25.06 H +ATOM 5742 HB3 SER B 545 36.880 126.918 13.853 1.00 24.62 H +ATOM 5743 HB2 SER B 545 36.436 127.613 15.391 1.00 24.62 H +ATOM 5744 HG SER B 545 38.036 128.996 15.225 1.00 23.76 H +ATOM 5745 N ILE B 546 35.713 130.935 14.220 1.00 25.28 N +ATOM 5746 CA ILE B 546 35.403 132.171 14.928 1.00 25.31 C +ATOM 5747 C ILE B 546 33.941 132.566 14.716 1.00 25.77 C +ATOM 5748 O ILE B 546 33.242 132.932 15.667 1.00 25.06 O +ATOM 5749 CB ILE B 546 36.309 133.325 14.444 1.00 25.92 C +ATOM 5750 CG1 ILE B 546 37.762 133.032 14.823 1.00 26.03 C +ATOM 5751 CG2 ILE B 546 35.854 134.642 15.057 1.00 26.38 C +ATOM 5752 CD1 ILE B 546 38.741 134.040 14.290 1.00 27.46 C +ATOM 5753 H ILE B 546 36.418 130.956 13.497 1.00 25.28 H +ATOM 5754 HA ILE B 546 35.573 132.016 15.993 1.00 25.31 H +ATOM 5755 HB ILE B 546 36.236 133.399 13.359 1.00 25.92 H +ATOM 5756 HG13 ILE B 546 38.035 132.039 14.465 1.00 26.03 H +ATOM 5757 HG12 ILE B 546 37.850 132.981 15.908 1.00 26.03 H +ATOM 5758 HG21 ILE B 546 36.500 135.448 14.709 1.00 26.38 H +ATOM 5759 HG22 ILE B 546 34.826 134.846 14.758 1.00 26.38 H +ATOM 5760 HG23 ILE B 546 35.909 134.576 16.144 1.00 26.38 H +ATOM 5761 HD11 ILE B 546 39.750 133.766 14.598 1.00 27.46 H +ATOM 5762 HD12 ILE B 546 38.687 134.060 13.201 1.00 27.46 H +ATOM 5763 HD13 ILE B 546 38.497 135.027 14.683 1.00 27.46 H +ATOM 5764 N GLU B 547 33.480 132.494 13.470 1.00 25.40 N +ATOM 5765 CA GLU B 547 32.099 132.853 13.171 1.00 26.33 C +ATOM 5766 C GLU B 547 31.126 131.867 13.800 1.00 25.37 C +ATOM 5767 O GLU B 547 30.076 132.257 14.311 1.00 24.60 O +ATOM 5768 CB GLU B 547 31.878 132.912 11.658 1.00 27.87 C +ATOM 5769 CG GLU B 547 32.624 134.047 10.995 1.00 30.86 C +ATOM 5770 CD GLU B 547 32.322 135.380 11.659 1.00 33.37 C +ATOM 5771 OE1 GLU B 547 31.137 135.781 11.664 1.00 34.74 O +ATOM 5772 OE2 GLU B 547 33.262 136.018 12.189 1.00 34.83 O1- +ATOM 5773 H GLU B 547 34.088 132.190 12.723 1.00 25.40 H +ATOM 5774 HA GLU B 547 31.903 133.842 13.586 1.00 26.33 H +ATOM 5775 HB3 GLU B 547 30.812 133.009 11.451 1.00 27.87 H +ATOM 5776 HB2 GLU B 547 32.185 131.966 11.210 1.00 27.87 H +ATOM 5777 HG3 GLU B 547 32.348 134.096 9.941 1.00 30.86 H +ATOM 5778 HG2 GLU B 547 33.696 133.853 11.041 1.00 30.86 H +ATOM 5779 N GLN B 548 31.481 130.587 13.759 1.00 24.62 N +ATOM 5780 CA GLN B 548 30.638 129.550 14.337 1.00 24.80 C +ATOM 5781 C GLN B 548 30.531 129.766 15.844 1.00 24.81 C +ATOM 5782 O GLN B 548 29.447 129.677 16.412 1.00 25.27 O +ATOM 5783 CB GLN B 548 31.219 128.165 14.035 1.00 23.27 C +ATOM 5784 CG GLN B 548 30.415 126.998 14.596 1.00 22.81 C +ATOM 5785 CD GLN B 548 28.959 127.016 14.161 1.00 22.35 C +ATOM 5786 OE1 GLN B 548 28.628 127.488 13.071 1.00 22.74 O +ATOM 5787 NE2 GLN B 548 28.084 126.484 15.004 1.00 21.07 N +ATOM 5788 H GLN B 548 32.350 130.317 13.321 1.00 24.62 H +ATOM 5789 HA GLN B 548 29.642 129.619 13.899 1.00 24.80 H +ATOM 5790 HB3 GLN B 548 32.241 128.112 14.410 1.00 23.27 H +ATOM 5791 HB2 GLN B 548 31.324 128.045 12.956 1.00 23.27 H +ATOM 5792 HG3 GLN B 548 30.468 127.013 15.684 1.00 22.81 H +ATOM 5793 HG2 GLN B 548 30.874 126.060 14.286 1.00 22.81 H +ATOM 5794 HE22 GLN B 548 27.102 126.467 14.769 1.00 21.07 H +ATOM 5795 HE21 GLN B 548 28.400 126.096 15.881 1.00 21.07 H +ATOM 5796 N ALA B 549 31.656 130.064 16.488 1.00 25.50 N +ATOM 5797 CA ALA B 549 31.662 130.288 17.931 1.00 26.06 C +ATOM 5798 C ALA B 549 30.793 131.480 18.315 1.00 26.00 C +ATOM 5799 O ALA B 549 30.112 131.446 19.336 1.00 26.28 O +ATOM 5800 CB ALA B 549 33.092 130.496 18.432 1.00 25.66 C +ATOM 5801 H ALA B 549 32.525 130.140 15.978 1.00 25.50 H +ATOM 5802 HA ALA B 549 31.257 129.400 18.416 1.00 26.06 H +ATOM 5803 HB1 ALA B 549 33.080 130.662 19.510 1.00 25.66 H +ATOM 5804 HB2 ALA B 549 33.689 129.612 18.208 1.00 25.66 H +ATOM 5805 HB3 ALA B 549 33.528 131.364 17.937 1.00 25.66 H +ATOM 5806 N LYS B 550 30.812 132.532 17.503 1.00 26.31 N +ATOM 5807 CA LYS B 550 30.007 133.718 17.796 1.00 26.59 C +ATOM 5808 C LYS B 550 28.525 133.377 17.792 1.00 26.08 C +ATOM 5809 O LYS B 550 27.783 133.792 18.684 1.00 25.88 O +ATOM 5810 CB LYS B 550 30.260 134.823 16.770 1.00 27.81 C +ATOM 5811 CG LYS B 550 31.605 135.510 16.894 1.00 30.52 C +ATOM 5812 CD LYS B 550 31.731 136.581 15.820 1.00 33.14 C +ATOM 5813 CE LYS B 550 33.093 137.245 15.838 1.00 35.23 C +ATOM 5814 NZ LYS B 550 33.236 138.187 14.687 1.00 36.61 N1+ +ATOM 5815 H LYS B 550 31.387 132.519 16.673 1.00 26.31 H +ATOM 5816 HA LYS B 550 30.278 134.089 18.784 1.00 26.59 H +ATOM 5817 HB3 LYS B 550 29.467 135.567 16.839 1.00 27.81 H +ATOM 5818 HB2 LYS B 550 30.156 134.413 15.765 1.00 27.81 H +ATOM 5819 HG3 LYS B 550 32.401 134.775 16.770 1.00 30.52 H +ATOM 5820 HG2 LYS B 550 31.687 135.971 17.878 1.00 30.52 H +ATOM 5821 HD3 LYS B 550 30.958 137.335 15.968 1.00 33.14 H +ATOM 5822 HD2 LYS B 550 31.558 136.134 14.841 1.00 33.14 H +ATOM 5823 HE3 LYS B 550 33.869 136.482 15.781 1.00 35.23 H +ATOM 5824 HE2 LYS B 550 33.218 137.792 16.772 1.00 35.23 H +ATOM 5825 HZ1 LYS B 550 32.524 138.901 14.745 1.00 36.61 H +ATOM 5826 HZ2 LYS B 550 34.149 138.618 14.716 1.00 36.61 H +ATOM 5827 HZ3 LYS B 550 33.132 137.678 13.820 1.00 36.61 H +ATOM 5828 N VAL B 551 28.093 132.628 16.782 1.00 25.05 N +ATOM 5829 CA VAL B 551 26.696 132.245 16.688 1.00 24.48 C +ATOM 5830 C VAL B 551 26.310 131.399 17.897 1.00 24.88 C +ATOM 5831 O VAL B 551 25.276 131.631 18.524 1.00 24.38 O +ATOM 5832 CB VAL B 551 26.415 131.440 15.393 1.00 24.22 C +ATOM 5833 CG1 VAL B 551 24.996 130.881 15.423 1.00 23.84 C +ATOM 5834 CG2 VAL B 551 26.588 132.339 14.175 1.00 23.65 C +ATOM 5835 H VAL B 551 28.739 132.319 16.070 1.00 25.05 H +ATOM 5836 HA VAL B 551 26.084 133.147 16.680 1.00 24.48 H +ATOM 5837 HB VAL B 551 27.122 130.613 15.328 1.00 24.22 H +ATOM 5838 HG11 VAL B 551 24.808 130.318 14.509 1.00 23.84 H +ATOM 5839 HG12 VAL B 551 24.882 130.224 16.285 1.00 23.84 H +ATOM 5840 HG13 VAL B 551 24.283 131.702 15.496 1.00 23.84 H +ATOM 5841 HG21 VAL B 551 26.389 131.767 13.270 1.00 23.65 H +ATOM 5842 HG22 VAL B 551 25.890 133.174 14.238 1.00 23.65 H +ATOM 5843 HG23 VAL B 551 27.609 132.720 14.147 1.00 23.65 H +ATOM 5844 N GLU B 552 27.153 130.427 18.230 1.00 25.07 N +ATOM 5845 CA GLU B 552 26.874 129.549 19.355 1.00 25.59 C +ATOM 5846 C GLU B 552 26.747 130.309 20.672 1.00 26.16 C +ATOM 5847 O GLU B 552 25.887 129.995 21.497 1.00 25.15 O +ATOM 5848 CB GLU B 552 27.951 128.456 19.453 1.00 25.54 C +ATOM 5849 CG GLU B 552 27.864 127.420 18.319 1.00 25.38 C +ATOM 5850 CD GLU B 552 28.804 126.238 18.510 1.00 25.54 C +ATOM 5851 OE1 GLU B 552 29.333 126.060 19.628 1.00 26.24 O +ATOM 5852 OE2 GLU B 552 29.006 125.474 17.544 1.00 25.74 O1- +ATOM 5853 H GLU B 552 28.001 130.290 17.699 1.00 25.07 H +ATOM 5854 HA GLU B 552 25.920 129.058 19.163 1.00 25.59 H +ATOM 5855 HB3 GLU B 552 27.866 127.949 20.414 1.00 25.54 H +ATOM 5856 HB2 GLU B 552 28.938 128.919 19.446 1.00 25.54 H +ATOM 5857 HG3 GLU B 552 28.081 127.906 17.368 1.00 25.38 H +ATOM 5858 HG2 GLU B 552 26.839 127.058 18.238 1.00 25.38 H +ATOM 5859 N GLU B 553 27.594 131.313 20.865 1.00 27.56 N +ATOM 5860 CA GLU B 553 27.549 132.102 22.088 1.00 29.10 C +ATOM 5861 C GLU B 553 26.195 132.806 22.201 1.00 28.59 C +ATOM 5862 O GLU B 553 25.562 132.785 23.254 1.00 27.81 O +ATOM 5863 CB GLU B 553 28.683 133.132 22.103 1.00 31.47 C +ATOM 5864 CG GLU B 553 28.648 134.044 23.316 1.00 35.90 C +ATOM 5865 CD GLU B 553 28.639 133.268 24.621 1.00 38.75 C +ATOM 5866 OE1 GLU B 553 29.638 132.568 24.899 1.00 41.20 O +ATOM 5867 OE2 GLU B 553 27.632 133.348 25.366 1.00 40.80 O1- +ATOM 5868 H GLU B 553 28.281 131.537 20.159 1.00 27.56 H +ATOM 5869 HA GLU B 553 27.670 131.435 22.941 1.00 29.10 H +ATOM 5870 HB3 GLU B 553 28.637 133.734 21.195 1.00 31.47 H +ATOM 5871 HB2 GLU B 553 29.642 132.615 22.066 1.00 31.47 H +ATOM 5872 HG3 GLU B 553 27.764 134.680 23.266 1.00 35.90 H +ATOM 5873 HG2 GLU B 553 29.512 134.708 23.295 1.00 35.90 H +ATOM 5874 N LYS B 554 25.753 133.421 21.108 1.00 27.90 N +ATOM 5875 CA LYS B 554 24.471 134.113 21.092 1.00 28.00 C +ATOM 5876 C LYS B 554 23.300 133.152 21.306 1.00 27.32 C +ATOM 5877 O LYS B 554 22.375 133.452 22.063 1.00 27.23 O +ATOM 5878 CB LYS B 554 24.288 134.850 19.765 1.00 29.30 C +ATOM 5879 CG LYS B 554 22.916 135.489 19.602 1.00 31.18 C +ATOM 5880 CD LYS B 554 22.601 136.444 20.747 1.00 32.96 C +ATOM 5881 CE LYS B 554 21.229 137.069 20.566 1.00 33.63 C +ATOM 5882 NZ LYS B 554 20.931 138.040 21.652 1.00 35.35 N1+ +ATOM 5883 H LYS B 554 26.309 133.415 20.265 1.00 27.90 H +ATOM 5884 HA LYS B 554 24.466 134.847 21.897 1.00 28.00 H +ATOM 5885 HB3 LYS B 554 24.465 134.159 18.940 1.00 29.30 H +ATOM 5886 HB2 LYS B 554 25.058 135.615 19.667 1.00 29.30 H +ATOM 5887 HG3 LYS B 554 22.155 134.710 19.560 1.00 31.18 H +ATOM 5888 HG2 LYS B 554 22.878 136.032 18.658 1.00 31.18 H +ATOM 5889 HD3 LYS B 554 23.356 137.229 20.784 1.00 32.96 H +ATOM 5890 HD2 LYS B 554 22.630 135.900 21.691 1.00 32.96 H +ATOM 5891 HE3 LYS B 554 20.471 136.286 20.561 1.00 33.63 H +ATOM 5892 HE2 LYS B 554 21.187 137.579 19.603 1.00 33.63 H +ATOM 5893 HZ1 LYS B 554 21.623 138.775 21.646 1.00 35.35 H +ATOM 5894 HZ2 LYS B 554 20.015 138.439 21.505 1.00 35.35 H +ATOM 5895 HZ3 LYS B 554 20.952 137.565 22.543 1.00 35.35 H +ATOM 5896 N ILE B 555 23.341 132.003 20.637 1.00 26.11 N +ATOM 5897 CA ILE B 555 22.279 131.008 20.764 1.00 25.64 C +ATOM 5898 C ILE B 555 22.181 130.460 22.191 1.00 25.28 C +ATOM 5899 O ILE B 555 21.086 130.202 22.687 1.00 24.46 O +ATOM 5900 CB ILE B 555 22.491 129.825 19.779 1.00 25.24 C +ATOM 5901 CG1 ILE B 555 22.495 130.338 18.336 1.00 25.89 C +ATOM 5902 CG2 ILE B 555 21.394 128.782 19.952 1.00 24.54 C +ATOM 5903 CD1 ILE B 555 21.234 131.064 17.931 1.00 25.65 C +ATOM 5904 H ILE B 555 24.119 131.802 20.024 1.00 26.11 H +ATOM 5905 HA ILE B 555 21.332 131.488 20.519 1.00 25.64 H +ATOM 5906 HB ILE B 555 23.454 129.360 19.990 1.00 25.24 H +ATOM 5907 HG13 ILE B 555 22.666 129.504 17.656 1.00 25.89 H +ATOM 5908 HG12 ILE B 555 23.353 130.995 18.189 1.00 25.89 H +ATOM 5909 HG21 ILE B 555 21.559 127.961 19.254 1.00 24.54 H +ATOM 5910 HG22 ILE B 555 21.413 128.400 20.973 1.00 24.54 H +ATOM 5911 HG23 ILE B 555 20.424 129.238 19.753 1.00 24.54 H +ATOM 5912 HD11 ILE B 555 21.321 131.394 16.895 1.00 25.65 H +ATOM 5913 HD12 ILE B 555 20.381 130.392 18.027 1.00 25.65 H +ATOM 5914 HD13 ILE B 555 21.089 131.930 18.576 1.00 25.65 H +ATOM 5915 N GLN B 556 23.321 130.278 22.852 1.00 25.32 N +ATOM 5916 CA GLN B 556 23.306 129.769 24.219 1.00 26.13 C +ATOM 5917 C GLN B 556 22.569 130.757 25.128 1.00 26.57 C +ATOM 5918 O GLN B 556 21.808 130.350 26.011 1.00 25.64 O +ATOM 5919 CB GLN B 556 24.732 129.546 24.726 1.00 26.74 C +ATOM 5920 CG GLN B 556 24.807 129.008 26.150 1.00 27.91 C +ATOM 5921 CD GLN B 556 24.024 127.719 26.332 1.00 28.80 C +ATOM 5922 OE1 GLN B 556 22.926 127.716 26.889 1.00 29.97 O +ATOM 5923 NE2 GLN B 556 24.582 126.620 25.854 1.00 28.98 N +ATOM 5924 H GLN B 556 24.202 130.492 22.406 1.00 25.32 H +ATOM 5925 HA GLN B 556 22.776 128.817 24.233 1.00 26.13 H +ATOM 5926 HB3 GLN B 556 25.289 130.481 24.663 1.00 26.74 H +ATOM 5927 HB2 GLN B 556 25.252 128.863 24.054 1.00 26.74 H +ATOM 5928 HG3 GLN B 556 24.431 129.761 26.842 1.00 27.91 H +ATOM 5929 HG2 GLN B 556 25.850 128.840 26.419 1.00 27.91 H +ATOM 5930 HE22 GLN B 556 24.109 125.732 25.946 1.00 28.98 H +ATOM 5931 HE21 GLN B 556 25.482 126.667 25.398 1.00 28.98 H +ATOM 5932 N GLU B 557 22.800 132.052 24.907 1.00 26.76 N +ATOM 5933 CA GLU B 557 22.138 133.100 25.682 1.00 27.48 C +ATOM 5934 C GLU B 557 20.630 133.009 25.475 1.00 26.61 C +ATOM 5935 O GLU B 557 19.856 133.143 26.420 1.00 26.74 O +ATOM 5936 CB GLU B 557 22.600 134.485 25.231 1.00 29.09 C +ATOM 5937 CG GLU B 557 23.940 134.927 25.756 1.00 32.99 C +ATOM 5938 CD GLU B 557 24.351 136.275 25.181 1.00 35.53 C +ATOM 5939 OE1 GLU B 557 23.466 137.151 25.025 1.00 36.92 O +ATOM 5940 OE2 GLU B 557 25.556 136.459 24.892 1.00 37.22 O1- +ATOM 5941 H GLU B 557 23.449 132.333 24.186 1.00 26.76 H +ATOM 5942 HA GLU B 557 22.367 132.967 26.739 1.00 27.48 H +ATOM 5943 HB3 GLU B 557 21.846 135.223 25.505 1.00 29.09 H +ATOM 5944 HB2 GLU B 557 22.609 134.525 24.142 1.00 29.09 H +ATOM 5945 HG3 GLU B 557 24.693 134.180 25.503 1.00 32.99 H +ATOM 5946 HG2 GLU B 557 23.900 134.993 26.843 1.00 32.99 H +ATOM 5947 N VAL B 558 20.219 132.807 24.228 1.00 25.62 N +ATOM 5948 CA VAL B 558 18.802 132.694 23.916 1.00 25.10 C +ATOM 5949 C VAL B 558 18.211 131.466 24.615 1.00 24.84 C +ATOM 5950 O VAL B 558 17.196 131.568 25.300 1.00 24.06 O +ATOM 5951 CB VAL B 558 18.574 132.583 22.390 1.00 25.48 C +ATOM 5952 CG1 VAL B 558 17.087 132.393 22.087 1.00 24.23 C +ATOM 5953 CG2 VAL B 558 19.095 133.843 21.704 1.00 24.57 C +ATOM 5954 H VAL B 558 20.893 132.730 23.480 1.00 25.62 H +ATOM 5955 HA VAL B 558 18.291 133.584 24.282 1.00 25.10 H +ATOM 5956 HB VAL B 558 19.124 131.722 22.012 1.00 25.48 H +ATOM 5957 HG11 VAL B 558 16.942 132.317 21.010 1.00 24.23 H +ATOM 5958 HG12 VAL B 558 16.732 131.481 22.567 1.00 24.23 H +ATOM 5959 HG13 VAL B 558 16.526 133.246 22.470 1.00 24.23 H +ATOM 5960 HG21 VAL B 558 18.934 133.764 20.629 1.00 24.57 H +ATOM 5961 HG22 VAL B 558 18.563 134.713 22.088 1.00 24.57 H +ATOM 5962 HG23 VAL B 558 20.161 133.952 21.904 1.00 24.57 H +ATOM 5963 N PHE B 559 18.860 130.316 24.447 1.00 24.64 N +ATOM 5964 CA PHE B 559 18.410 129.070 25.064 1.00 24.74 C +ATOM 5965 C PHE B 559 18.203 129.262 26.570 1.00 25.21 C +ATOM 5966 O PHE B 559 17.171 128.872 27.125 1.00 24.38 O +ATOM 5967 CB PHE B 559 19.444 127.953 24.833 1.00 24.84 C +ATOM 5968 CG PHE B 559 19.401 127.326 23.449 1.00 25.06 C +ATOM 5969 CD1 PHE B 559 20.454 126.516 23.014 1.00 25.31 C +ATOM 5970 CD2 PHE B 559 18.308 127.512 22.601 1.00 24.36 C +ATOM 5971 CE1 PHE B 559 20.419 125.898 21.751 1.00 25.00 C +ATOM 5972 CE2 PHE B 559 18.263 126.902 21.341 1.00 24.83 C +ATOM 5973 CZ PHE B 559 19.320 126.093 20.914 1.00 24.37 C +ATOM 5974 H PHE B 559 19.694 130.285 23.878 1.00 24.64 H +ATOM 5975 HA PHE B 559 17.463 128.774 24.612 1.00 24.74 H +ATOM 5976 HB3 PHE B 559 19.310 127.176 25.585 1.00 24.84 H +ATOM 5977 HB2 PHE B 559 20.444 128.342 25.022 1.00 24.84 H +ATOM 5978 HD1 PHE B 559 21.312 126.356 23.651 1.00 25.31 H +ATOM 5979 HD2 PHE B 559 17.482 128.134 22.914 1.00 24.36 H +ATOM 5980 HE1 PHE B 559 21.241 125.274 21.432 1.00 25.00 H +ATOM 5981 HE2 PHE B 559 17.410 127.056 20.696 1.00 24.83 H +ATOM 5982 HZ PHE B 559 19.290 125.620 19.943 1.00 24.37 H +ATOM 5983 N SER B 560 19.188 129.869 27.227 1.00 24.94 N +ATOM 5984 CA SER B 560 19.110 130.096 28.668 1.00 25.45 C +ATOM 5985 C SER B 560 17.952 130.987 29.109 1.00 25.34 C +ATOM 5986 O SER B 560 17.447 130.846 30.230 1.00 25.05 O +ATOM 5987 CB SER B 560 20.422 130.685 29.181 1.00 26.15 C +ATOM 5988 OG SER B 560 21.470 129.740 29.057 1.00 28.17 O +ATOM 5989 H SER B 560 20.009 130.183 26.729 1.00 24.94 H +ATOM 5990 HA SER B 560 18.977 129.125 29.146 1.00 25.45 H +ATOM 5991 HB3 SER B 560 20.309 130.966 30.228 1.00 26.15 H +ATOM 5992 HB2 SER B 560 20.668 131.578 28.606 1.00 26.15 H +ATOM 5993 HG SER B 560 21.781 129.724 28.149 1.00 28.17 H +ATOM 5994 N SER B 561 17.520 131.895 28.238 1.00 24.49 N +ATOM 5995 CA SER B 561 16.428 132.787 28.604 1.00 25.12 C +ATOM 5996 C SER B 561 15.081 132.072 28.691 1.00 25.10 C +ATOM 5997 O SER B 561 14.114 132.641 29.189 1.00 25.53 O +ATOM 5998 CB SER B 561 16.335 133.961 27.622 1.00 24.49 C +ATOM 5999 OG SER B 561 15.881 133.539 26.351 1.00 25.19 O +ATOM 6000 H SER B 561 17.949 131.964 27.326 1.00 24.49 H +ATOM 6001 HA SER B 561 16.650 133.197 29.589 1.00 25.12 H +ATOM 6002 HB3 SER B 561 17.315 134.427 27.520 1.00 24.49 H +ATOM 6003 HB2 SER B 561 15.654 134.713 28.019 1.00 24.49 H +ATOM 6004 HG SER B 561 16.491 132.891 25.992 1.00 25.19 H +ATOM 6005 N TYR B 562 15.016 130.830 28.212 1.00 24.97 N +ATOM 6006 CA TYR B 562 13.773 130.058 28.261 1.00 24.97 C +ATOM 6007 C TYR B 562 13.766 129.045 29.394 1.00 25.19 C +ATOM 6008 O TYR B 562 12.809 128.288 29.554 1.00 24.90 O +ATOM 6009 CB TYR B 562 13.533 129.315 26.942 1.00 24.78 C +ATOM 6010 CG TYR B 562 13.181 130.233 25.810 1.00 24.10 C +ATOM 6011 CD1 TYR B 562 14.176 130.855 25.060 1.00 23.85 C +ATOM 6012 CD2 TYR B 562 11.850 130.536 25.530 1.00 23.76 C +ATOM 6013 CE1 TYR B 562 13.856 131.764 24.060 1.00 24.79 C +ATOM 6014 CE2 TYR B 562 11.520 131.441 24.535 1.00 24.59 C +ATOM 6015 CZ TYR B 562 12.527 132.051 23.806 1.00 24.95 C +ATOM 6016 OH TYR B 562 12.208 132.953 22.828 1.00 26.89 O +ATOM 6017 H TYR B 562 15.835 130.402 27.805 1.00 24.97 H +ATOM 6018 HA TYR B 562 12.946 130.751 28.417 1.00 24.97 H +ATOM 6019 HB3 TYR B 562 12.735 128.585 27.078 1.00 24.78 H +ATOM 6020 HB2 TYR B 562 14.424 128.743 26.682 1.00 24.78 H +ATOM 6021 HD1 TYR B 562 15.215 130.633 25.252 1.00 23.85 H +ATOM 6022 HD2 TYR B 562 11.059 130.064 26.093 1.00 23.76 H +ATOM 6023 HE1 TYR B 562 14.641 132.239 23.490 1.00 24.79 H +ATOM 6024 HE2 TYR B 562 10.483 131.668 24.333 1.00 24.59 H +ATOM 6025 HH TYR B 562 13.013 133.286 22.424 1.00 26.89 H +ATOM 6026 N LYS B 563 14.833 129.041 30.180 1.00 25.75 N +ATOM 6027 CA LYS B 563 14.960 128.107 31.289 1.00 27.13 C +ATOM 6028 C LYS B 563 15.043 128.837 32.623 1.00 26.93 C +ATOM 6029 O LYS B 563 15.804 129.787 32.770 1.00 26.94 O +ATOM 6030 CB LYS B 563 16.215 127.248 31.089 1.00 27.31 C +ATOM 6031 CG LYS B 563 16.528 126.301 32.225 1.00 29.01 C +ATOM 6032 CD LYS B 563 17.748 125.457 31.894 1.00 30.05 C +ATOM 6033 CE LYS B 563 18.275 124.728 33.120 1.00 31.05 C +ATOM 6034 NZ LYS B 563 17.266 123.802 33.713 1.00 32.01 N1+ +ATOM 6035 H LYS B 563 15.583 129.697 30.016 1.00 25.75 H +ATOM 6036 HA LYS B 563 14.087 127.455 31.299 1.00 27.13 H +ATOM 6037 HB3 LYS B 563 17.073 127.898 30.914 1.00 27.31 H +ATOM 6038 HB2 LYS B 563 16.120 126.681 30.163 1.00 27.31 H +ATOM 6039 HG3 LYS B 563 15.672 125.649 32.401 1.00 29.01 H +ATOM 6040 HG2 LYS B 563 16.719 126.874 33.133 1.00 29.01 H +ATOM 6041 HD3 LYS B 563 18.532 126.096 31.487 1.00 30.05 H +ATOM 6042 HD2 LYS B 563 17.488 124.730 31.124 1.00 30.05 H +ATOM 6043 HE3 LYS B 563 18.583 125.456 33.870 1.00 31.05 H +ATOM 6044 HE2 LYS B 563 19.169 124.166 32.851 1.00 31.05 H +ATOM 6045 HZ1 LYS B 563 16.560 124.337 34.197 1.00 32.01 H +ATOM 6046 HZ2 LYS B 563 16.833 123.260 32.979 1.00 32.01 H +ATOM 6047 HZ3 LYS B 563 17.722 123.180 34.365 1.00 32.01 H +ATOM 6048 N PHE B 564 14.248 128.394 33.588 1.00 27.13 N +ATOM 6049 CA PHE B 564 14.255 128.992 34.920 1.00 27.21 C +ATOM 6050 C PHE B 564 14.466 127.829 35.879 1.00 26.92 C +ATOM 6051 O PHE B 564 13.543 127.385 36.567 1.00 26.46 O +ATOM 6052 CB PHE B 564 12.927 129.706 35.182 1.00 28.41 C +ATOM 6053 CG PHE B 564 12.559 130.702 34.111 1.00 29.47 C +ATOM 6054 CD1 PHE B 564 11.832 130.306 32.989 1.00 29.14 C +ATOM 6055 CD2 PHE B 564 12.986 132.026 34.199 1.00 29.36 C +ATOM 6056 CE1 PHE B 564 11.537 131.216 31.967 1.00 29.98 C +ATOM 6057 CE2 PHE B 564 12.698 132.946 33.182 1.00 30.15 C +ATOM 6058 CZ PHE B 564 11.971 132.538 32.062 1.00 29.86 C +ATOM 6059 H PHE B 564 13.617 127.626 33.411 1.00 27.13 H +ATOM 6060 HA PHE B 564 15.080 129.699 35.006 1.00 27.21 H +ATOM 6061 HB3 PHE B 564 12.973 130.212 36.146 1.00 28.41 H +ATOM 6062 HB2 PHE B 564 12.131 128.967 35.278 1.00 28.41 H +ATOM 6063 HD1 PHE B 564 11.488 129.286 32.901 1.00 29.14 H +ATOM 6064 HD2 PHE B 564 13.548 132.356 35.060 1.00 29.36 H +ATOM 6065 HE1 PHE B 564 10.973 130.894 31.103 1.00 29.98 H +ATOM 6066 HE2 PHE B 564 13.038 133.968 33.266 1.00 30.15 H +ATOM 6067 HZ PHE B 564 11.744 133.239 31.273 1.00 29.86 H +ATOM 6068 N ASN B 565 15.703 127.340 35.900 1.00 26.73 N +ATOM 6069 CA ASN B 565 16.079 126.189 36.706 1.00 27.09 C +ATOM 6070 C ASN B 565 15.219 125.012 36.261 1.00 27.26 C +ATOM 6071 O ASN B 565 15.212 124.671 35.080 1.00 27.75 O +ATOM 6072 CB ASN B 565 15.910 126.471 38.200 1.00 27.23 C +ATOM 6073 CG ASN B 565 17.001 127.374 38.737 1.00 28.09 C +ATOM 6074 OD1 ASN B 565 18.180 127.140 38.482 1.00 28.11 O +ATOM 6075 ND2 ASN B 565 16.618 128.407 39.479 1.00 26.82 N +ATOM 6076 H ASN B 565 16.426 127.771 35.342 1.00 26.73 H +ATOM 6077 HA ASN B 565 17.125 125.951 36.510 1.00 27.09 H +ATOM 6078 HB3 ASN B 565 15.915 125.530 38.750 1.00 27.23 H +ATOM 6079 HB2 ASN B 565 14.938 126.934 38.374 1.00 27.23 H +ATOM 6080 HD22 ASN B 565 17.308 129.039 39.861 1.00 26.82 H +ATOM 6081 HD21 ASN B 565 15.637 128.562 39.662 1.00 26.82 H +ATOM 6082 N HIS B 566 14.473 124.404 37.176 1.00 27.27 N +ATOM 6083 CA HIS B 566 13.658 123.257 36.801 1.00 27.10 C +ATOM 6084 C HIS B 566 12.333 123.656 36.144 1.00 26.76 C +ATOM 6085 O HIS B 566 11.585 122.805 35.670 1.00 27.22 O +ATOM 6086 CB HIS B 566 13.416 122.361 38.020 1.00 27.50 C +ATOM 6087 CG HIS B 566 12.860 121.014 37.678 1.00 28.74 C +ATOM 6088 ND1 HIS B 566 11.733 120.383 38.084 1.00 29.60 N +ATOM 6089 CD2 HIS B 566 13.482 120.154 36.797 1.00 29.18 C +ATOM 6090 CE1 HIS B 566 11.694 119.167 37.445 1.00 29.65 C +ATOM 6091 NE2 HIS B 566 12.761 119.054 36.675 1.00 29.95 N +ATOM 6092 H HIS B 566 14.472 124.738 38.130 1.00 27.27 H +ATOM 6093 HA HIS B 566 14.224 122.675 36.073 1.00 27.10 H +ATOM 6094 HB3 HIS B 566 12.741 122.866 38.711 1.00 27.50 H +ATOM 6095 HB2 HIS B 566 14.349 122.238 38.570 1.00 27.50 H +ATOM 6096 HD1 HIS B 566 11.070 120.863 38.789 1.00 29.60 H +ATOM 6097 HD2 HIS B 566 14.355 120.419 36.363 1.00 29.18 H +ATOM 6098 HE1 HIS B 566 10.924 118.535 37.609 1.00 29.65 H +ATOM 6099 N LEU B 567 12.042 124.953 36.110 1.00 26.18 N +ATOM 6100 CA LEU B 567 10.817 125.424 35.468 1.00 25.18 C +ATOM 6101 C LEU B 567 11.134 125.757 34.007 1.00 24.77 C +ATOM 6102 O LEU B 567 11.967 126.623 33.728 1.00 23.48 O +ATOM 6103 CB LEU B 567 10.274 126.669 36.178 1.00 24.64 C +ATOM 6104 CG LEU B 567 9.074 127.340 35.499 1.00 25.26 C +ATOM 6105 CD1 LEU B 567 7.915 126.351 35.398 1.00 24.99 C +ATOM 6106 CD2 LEU B 567 8.650 128.572 36.283 1.00 24.41 C +ATOM 6107 H LEU B 567 12.671 125.623 36.530 1.00 26.18 H +ATOM 6108 HA LEU B 567 10.066 124.635 35.503 1.00 25.18 H +ATOM 6109 HB3 LEU B 567 11.077 127.397 36.293 1.00 24.64 H +ATOM 6110 HB2 LEU B 567 10.010 126.412 37.204 1.00 24.64 H +ATOM 6111 HG LEU B 567 9.364 127.646 34.494 1.00 25.26 H +ATOM 6112 HD11 LEU B 567 7.066 126.834 34.915 1.00 24.99 H +ATOM 6113 HD12 LEU B 567 8.224 125.487 34.810 1.00 24.99 H +ATOM 6114 HD13 LEU B 567 7.627 126.025 36.398 1.00 24.99 H +ATOM 6115 HD21 LEU B 567 7.797 129.040 35.792 1.00 24.41 H +ATOM 6116 HD22 LEU B 567 8.370 128.281 37.296 1.00 24.41 H +ATOM 6117 HD23 LEU B 567 9.478 129.280 36.325 1.00 24.41 H +ATOM 6118 N VAL B 568 10.479 125.055 33.082 1.00 24.30 N +ATOM 6119 CA VAL B 568 10.689 125.273 31.651 1.00 24.13 C +ATOM 6120 C VAL B 568 9.337 125.438 30.946 1.00 23.94 C +ATOM 6121 O VAL B 568 8.760 124.476 30.440 1.00 23.91 O +ATOM 6122 CB VAL B 568 11.462 124.084 31.023 1.00 24.18 C +ATOM 6123 CG1 VAL B 568 11.927 124.437 29.610 1.00 23.80 C +ATOM 6124 CG2 VAL B 568 12.655 123.721 31.903 1.00 23.64 C +ATOM 6125 H VAL B 568 9.814 124.348 33.361 1.00 24.30 H +ATOM 6126 HA VAL B 568 11.272 126.184 31.514 1.00 24.13 H +ATOM 6127 HB VAL B 568 10.795 123.224 30.966 1.00 24.18 H +ATOM 6128 HG11 VAL B 568 12.468 123.593 29.183 1.00 23.80 H +ATOM 6129 HG12 VAL B 568 11.061 124.666 28.989 1.00 23.80 H +ATOM 6130 HG13 VAL B 568 12.584 125.306 29.650 1.00 23.80 H +ATOM 6131 HG21 VAL B 568 13.195 122.885 31.458 1.00 23.64 H +ATOM 6132 HG22 VAL B 568 13.321 124.580 31.986 1.00 23.64 H +ATOM 6133 HG23 VAL B 568 12.302 123.438 32.895 1.00 23.64 H +ATOM 6134 N PRO B 569 8.820 126.672 30.901 1.00 23.93 N +ATOM 6135 CA PRO B 569 7.529 126.972 30.264 1.00 24.34 C +ATOM 6136 C PRO B 569 7.436 126.508 28.807 1.00 24.19 C +ATOM 6137 O PRO B 569 8.420 126.567 28.059 1.00 24.20 O +ATOM 6138 CB PRO B 569 7.428 128.494 30.381 1.00 23.81 C +ATOM 6139 CG PRO B 569 8.250 128.801 31.602 1.00 24.58 C +ATOM 6140 CD PRO B 569 9.445 127.900 31.419 1.00 23.98 C +ATOM 6141 HA PRO B 569 6.727 126.512 30.841 1.00 24.34 H +ATOM 6142 HB3 PRO B 569 6.391 128.773 30.567 1.00 23.81 H +ATOM 6143 HB2 PRO B 569 7.893 128.954 29.509 1.00 23.81 H +ATOM 6144 HG3 PRO B 569 7.701 128.493 32.491 1.00 24.58 H +ATOM 6145 HG2 PRO B 569 8.575 129.841 31.563 1.00 24.58 H +ATOM 6146 HD2 PRO B 569 10.097 128.321 30.653 1.00 23.98 H +ATOM 6147 HD3 PRO B 569 9.890 127.693 32.392 1.00 23.98 H +ATOM 6148 N ARG B 570 6.248 126.060 28.410 1.00 23.59 N +ATOM 6149 CA ARG B 570 6.031 125.604 27.044 1.00 23.67 C +ATOM 6150 C ARG B 570 6.310 126.713 26.043 1.00 23.19 C +ATOM 6151 O ARG B 570 5.965 127.872 26.274 1.00 23.18 O +ATOM 6152 CB ARG B 570 4.599 125.100 26.874 1.00 23.38 C +ATOM 6153 CG ARG B 570 4.399 123.713 27.432 1.00 24.44 C +ATOM 6154 CD ARG B 570 2.987 123.206 27.227 1.00 24.41 C +ATOM 6155 NE ARG B 570 2.840 121.869 27.787 1.00 25.01 N +ATOM 6156 CZ ARG B 570 2.822 120.746 27.074 1.00 25.87 C +ATOM 6157 NH1 ARG B 570 2.936 120.786 25.751 1.00 25.70 N +ATOM 6158 NH2 ARG B 570 2.704 119.577 27.690 1.00 25.62 N1+ +ATOM 6159 H ARG B 570 5.475 126.033 29.060 1.00 23.59 H +ATOM 6160 HA ARG B 570 6.714 124.778 26.844 1.00 23.67 H +ATOM 6161 HB3 ARG B 570 4.337 125.106 25.816 1.00 23.38 H +ATOM 6162 HB2 ARG B 570 3.911 125.790 27.363 1.00 23.38 H +ATOM 6163 HG3 ARG B 570 4.632 123.714 28.497 1.00 24.44 H +ATOM 6164 HG2 ARG B 570 5.103 123.028 26.960 1.00 24.44 H +ATOM 6165 HD3 ARG B 570 2.762 123.180 26.160 1.00 24.41 H +ATOM 6166 HD2 ARG B 570 2.284 123.883 27.713 1.00 24.41 H +ATOM 6167 HE ARG B 570 2.748 121.830 28.792 1.00 25.01 H +ATOM 6168 HH12 ARG B 570 2.921 119.928 25.217 1.00 25.70 H +ATOM 6169 HH11 ARG B 570 3.037 121.673 25.279 1.00 25.70 H +ATOM 6170 HH22 ARG B 570 2.690 118.722 27.153 1.00 25.62 H +ATOM 6171 HH21 ARG B 570 2.628 119.541 28.697 1.00 25.62 H +ATOM 6172 N LEU B 571 6.949 126.353 24.935 1.00 22.70 N +ATOM 6173 CA LEU B 571 7.275 127.316 23.889 1.00 22.26 C +ATOM 6174 C LEU B 571 6.003 127.719 23.164 1.00 22.11 C +ATOM 6175 O LEU B 571 5.081 126.909 23.015 1.00 22.08 O +ATOM 6176 CB LEU B 571 8.270 126.706 22.897 1.00 21.67 C +ATOM 6177 CG LEU B 571 9.616 126.313 23.510 1.00 21.84 C +ATOM 6178 CD1 LEU B 571 10.507 125.695 22.442 1.00 21.16 C +ATOM 6179 CD2 LEU B 571 10.278 127.548 24.123 1.00 21.40 C +ATOM 6180 H LEU B 571 7.222 125.390 24.801 1.00 22.70 H +ATOM 6181 HA LEU B 571 7.722 128.200 24.345 1.00 22.26 H +ATOM 6182 HB3 LEU B 571 8.437 127.405 22.077 1.00 21.67 H +ATOM 6183 HB2 LEU B 571 7.820 125.832 22.425 1.00 21.67 H +ATOM 6184 HG LEU B 571 9.445 125.578 24.296 1.00 21.84 H +ATOM 6185 HD11 LEU B 571 11.464 125.417 22.883 1.00 21.16 H +ATOM 6186 HD12 LEU B 571 10.024 124.807 22.034 1.00 21.16 H +ATOM 6187 HD13 LEU B 571 10.672 126.418 21.643 1.00 21.16 H +ATOM 6188 HD21 LEU B 571 11.237 127.268 24.560 1.00 21.40 H +ATOM 6189 HD22 LEU B 571 10.438 128.298 23.348 1.00 21.40 H +ATOM 6190 HD23 LEU B 571 9.632 127.960 24.899 1.00 21.40 H +ATOM 6191 N VAL B 572 5.964 128.966 22.708 1.00 22.00 N +ATOM 6192 CA VAL B 572 4.795 129.495 22.011 1.00 22.56 C +ATOM 6193 C VAL B 572 5.098 130.129 20.653 1.00 22.56 C +ATOM 6194 O VAL B 572 5.964 130.996 20.542 1.00 22.56 O +ATOM 6195 CB VAL B 572 4.080 130.566 22.878 1.00 22.75 C +ATOM 6196 CG1 VAL B 572 2.871 131.132 22.132 1.00 22.03 C +ATOM 6197 CG2 VAL B 572 3.658 129.960 24.218 1.00 21.95 C +ATOM 6198 H VAL B 572 6.758 129.576 22.839 1.00 22.00 H +ATOM 6199 HA VAL B 572 4.098 128.672 21.851 1.00 22.56 H +ATOM 6200 HB VAL B 572 4.780 131.379 23.071 1.00 22.75 H +ATOM 6201 HG11 VAL B 572 2.379 131.882 22.751 1.00 22.03 H +ATOM 6202 HG12 VAL B 572 3.201 131.591 21.200 1.00 22.03 H +ATOM 6203 HG13 VAL B 572 2.170 130.327 21.911 1.00 22.03 H +ATOM 6204 HG21 VAL B 572 3.157 130.719 24.819 1.00 21.95 H +ATOM 6205 HG22 VAL B 572 2.976 129.128 24.042 1.00 21.95 H +ATOM 6206 HG23 VAL B 572 4.540 129.601 24.748 1.00 21.95 H +ATOM 6207 N LEU B 573 4.384 129.682 19.622 1.00 22.52 N +ATOM 6208 CA LEU B 573 4.530 130.248 18.286 1.00 22.62 C +ATOM 6209 C LEU B 573 3.610 131.472 18.308 1.00 23.29 C +ATOM 6210 O LEU B 573 2.407 131.332 18.518 1.00 23.48 O +ATOM 6211 CB LEU B 573 4.048 129.260 17.210 1.00 21.47 C +ATOM 6212 CG LEU B 573 3.970 129.832 15.784 1.00 21.48 C +ATOM 6213 CD1 LEU B 573 5.370 130.099 15.254 1.00 19.77 C +ATOM 6214 CD2 LEU B 573 3.225 128.873 14.873 1.00 20.90 C +ATOM 6215 H LEU B 573 3.721 128.931 19.755 1.00 22.52 H +ATOM 6216 HA LEU B 573 5.563 130.545 18.103 1.00 22.62 H +ATOM 6217 HB3 LEU B 573 3.072 128.866 17.494 1.00 21.47 H +ATOM 6218 HB2 LEU B 573 4.694 128.382 17.211 1.00 21.47 H +ATOM 6219 HG LEU B 573 3.425 130.775 15.817 1.00 21.48 H +ATOM 6220 HD11 LEU B 573 5.305 130.504 14.244 1.00 19.77 H +ATOM 6221 HD12 LEU B 573 5.873 130.818 15.901 1.00 19.77 H +ATOM 6222 HD13 LEU B 573 5.936 129.168 15.236 1.00 19.77 H +ATOM 6223 HD21 LEU B 573 3.177 129.290 13.867 1.00 20.90 H +ATOM 6224 HD22 LEU B 573 3.748 127.917 14.845 1.00 20.90 H +ATOM 6225 HD23 LEU B 573 2.214 128.722 15.252 1.00 20.90 H +ATOM 6226 N GLN B 574 4.170 132.660 18.095 1.00 23.97 N +ATOM 6227 CA GLN B 574 3.384 133.891 18.124 1.00 25.64 C +ATOM 6228 C GLN B 574 2.497 134.114 16.894 1.00 25.68 C +ATOM 6229 O GLN B 574 2.701 135.054 16.121 1.00 25.17 O +ATOM 6230 CB GLN B 574 4.315 135.085 18.318 1.00 26.49 C +ATOM 6231 CG GLN B 574 5.150 135.007 19.591 1.00 28.70 C +ATOM 6232 CD GLN B 574 4.288 134.947 20.840 1.00 30.75 C +ATOM 6233 OE1 GLN B 574 3.217 135.554 20.898 1.00 31.94 O +ATOM 6234 NE2 GLN B 574 4.757 134.228 21.851 1.00 31.12 N +ATOM 6235 H GLN B 574 5.160 132.725 17.908 1.00 23.97 H +ATOM 6236 HA GLN B 574 2.730 133.841 18.994 1.00 25.64 H +ATOM 6237 HB3 GLN B 574 3.728 136.004 18.326 1.00 26.49 H +ATOM 6238 HB2 GLN B 574 4.977 135.172 17.456 1.00 26.49 H +ATOM 6239 HG3 GLN B 574 5.808 135.875 19.646 1.00 28.70 H +ATOM 6240 HG2 GLN B 574 5.792 134.127 19.550 1.00 28.70 H +ATOM 6241 HE22 GLN B 574 4.226 134.152 22.706 1.00 31.12 H +ATOM 6242 HE21 GLN B 574 5.646 133.756 21.765 1.00 31.12 H +ATOM 6243 N ARG B 575 1.502 133.247 16.744 1.00 25.86 N +ATOM 6244 CA ARG B 575 0.555 133.285 15.629 1.00 26.69 C +ATOM 6245 C ARG B 575 -0.002 134.646 15.249 1.00 27.25 C +ATOM 6246 O ARG B 575 0.161 135.094 14.114 1.00 26.86 O +ATOM 6247 CB ARG B 575 -0.625 132.370 15.927 1.00 26.67 C +ATOM 6248 CG ARG B 575 -0.270 130.921 15.942 1.00 27.73 C +ATOM 6249 CD ARG B 575 -1.417 130.086 16.476 1.00 27.63 C +ATOM 6250 NE ARG B 575 -1.260 128.723 16.008 1.00 27.91 N +ATOM 6251 CZ ARG B 575 -1.526 128.342 14.767 1.00 27.17 C +ATOM 6252 NH1 ARG B 575 -1.978 129.228 13.892 1.00 25.97 N +ATOM 6253 NH2 ARG B 575 -1.301 127.089 14.399 1.00 27.44 N1+ +ATOM 6254 H ARG B 575 1.368 132.510 17.421 1.00 25.86 H +ATOM 6255 HA ARG B 575 1.065 132.884 14.753 1.00 26.69 H +ATOM 6256 HB3 ARG B 575 -1.411 132.542 15.192 1.00 26.67 H +ATOM 6257 HB2 ARG B 575 -1.062 132.645 16.887 1.00 26.67 H +ATOM 6258 HG3 ARG B 575 0.610 130.769 16.566 1.00 27.73 H +ATOM 6259 HG2 ARG B 575 -0.026 130.597 14.930 1.00 27.73 H +ATOM 6260 HD3 ARG B 575 -2.361 130.490 16.109 1.00 27.63 H +ATOM 6261 HD2 ARG B 575 -1.400 130.101 17.565 1.00 27.63 H +ATOM 6262 HE ARG B 575 -0.929 128.049 16.684 1.00 27.91 H +ATOM 6263 HH12 ARG B 575 -2.182 128.943 12.944 1.00 25.97 H +ATOM 6264 HH11 ARG B 575 -2.118 130.188 14.171 1.00 25.97 H +ATOM 6265 HH22 ARG B 575 -1.503 126.797 13.453 1.00 27.44 H +ATOM 6266 HH21 ARG B 575 -0.927 126.427 15.063 1.00 27.44 H +ATOM 6267 N GLU B 576 -0.683 135.292 16.189 1.00 27.86 N +ATOM 6268 CA GLU B 576 -1.282 136.587 15.907 1.00 29.15 C +ATOM 6269 C GLU B 576 -0.302 137.654 15.448 1.00 28.36 C +ATOM 6270 O GLU B 576 -0.623 138.433 14.549 1.00 28.20 O +ATOM 6271 CB GLU B 576 -2.082 137.082 17.111 1.00 30.50 C +ATOM 6272 CG GLU B 576 -3.395 136.340 17.303 1.00 35.37 C +ATOM 6273 CD GLU B 576 -4.196 136.181 16.005 1.00 38.03 C +ATOM 6274 OE1 GLU B 576 -3.898 135.250 15.214 1.00 39.67 O +ATOM 6275 OE2 GLU B 576 -5.122 136.991 15.768 1.00 39.18 O1- +ATOM 6276 H GLU B 576 -0.787 134.884 17.108 1.00 27.86 H +ATOM 6277 HA GLU B 576 -1.992 136.437 15.094 1.00 29.15 H +ATOM 6278 HB3 GLU B 576 -2.281 138.148 16.999 1.00 30.50 H +ATOM 6279 HB2 GLU B 576 -1.477 136.986 18.012 1.00 30.50 H +ATOM 6280 HG3 GLU B 576 -4.002 136.865 18.041 1.00 35.37 H +ATOM 6281 HG2 GLU B 576 -3.196 135.357 17.729 1.00 35.37 H +ATOM 6282 N LYS B 577 0.884 137.705 16.050 1.00 27.88 N +ATOM 6283 CA LYS B 577 1.872 138.698 15.635 1.00 27.85 C +ATOM 6284 C LYS B 577 2.296 138.406 14.198 1.00 27.35 C +ATOM 6285 O LYS B 577 2.399 139.319 13.375 1.00 26.51 O +ATOM 6286 CB LYS B 577 3.108 138.659 16.528 1.00 30.06 C +ATOM 6287 CG LYS B 577 2.869 138.940 18.005 1.00 32.80 C +ATOM 6288 CD LYS B 577 4.195 138.813 18.739 1.00 35.40 C +ATOM 6289 CE LYS B 577 4.040 138.790 20.250 1.00 37.43 C +ATOM 6290 NZ LYS B 577 5.386 138.590 20.880 1.00 38.68 N1+ +ATOM 6291 H LYS B 577 1.101 137.057 16.794 1.00 27.88 H +ATOM 6292 HA LYS B 577 1.425 139.691 15.683 1.00 27.85 H +ATOM 6293 HB3 LYS B 577 3.851 139.359 16.145 1.00 30.06 H +ATOM 6294 HB2 LYS B 577 3.600 137.693 16.421 1.00 30.06 H +ATOM 6295 HG3 LYS B 577 2.162 138.212 18.403 1.00 32.80 H +ATOM 6296 HG2 LYS B 577 2.484 139.953 18.124 1.00 32.80 H +ATOM 6297 HD3 LYS B 577 4.847 139.638 18.454 1.00 35.40 H +ATOM 6298 HD2 LYS B 577 4.703 137.905 18.414 1.00 35.40 H +ATOM 6299 HE3 LYS B 577 3.380 137.971 20.535 1.00 37.43 H +ATOM 6300 HE2 LYS B 577 3.619 139.738 20.586 1.00 37.43 H +ATOM 6301 HZ1 LYS B 577 6.084 139.096 20.354 1.00 38.68 H +ATOM 6302 HZ2 LYS B 577 5.368 138.932 21.830 1.00 38.68 H +ATOM 6303 HZ3 LYS B 577 5.614 137.606 20.882 1.00 38.68 H +ATOM 6304 N HIS B 578 2.542 137.132 13.901 1.00 25.91 N +ATOM 6305 CA HIS B 578 2.948 136.742 12.556 1.00 25.49 C +ATOM 6306 C HIS B 578 1.826 137.056 11.572 1.00 25.48 C +ATOM 6307 O HIS B 578 2.075 137.546 10.471 1.00 24.09 O +ATOM 6308 CB HIS B 578 3.285 135.243 12.499 1.00 24.77 C +ATOM 6309 CG HIS B 578 4.394 134.836 13.422 1.00 23.47 C +ATOM 6310 ND1 HIS B 578 5.512 135.616 13.629 1.00 23.27 N +ATOM 6311 CD2 HIS B 578 4.563 133.727 14.180 1.00 22.97 C +ATOM 6312 CE1 HIS B 578 6.321 135.005 14.476 1.00 23.20 C +ATOM 6313 NE2 HIS B 578 5.769 133.857 14.825 1.00 23.20 N +ATOM 6314 H HIS B 578 2.448 136.420 14.611 1.00 25.91 H +ATOM 6315 HA HIS B 578 3.833 137.314 12.276 1.00 25.49 H +ATOM 6316 HB3 HIS B 578 3.547 134.971 11.476 1.00 24.77 H +ATOM 6317 HB2 HIS B 578 2.392 134.663 12.729 1.00 24.77 H +ATOM 6318 HD2 HIS B 578 3.807 132.956 14.185 1.00 22.97 H +ATOM 6319 HE1 HIS B 578 7.254 135.469 14.761 1.00 23.20 H +ATOM 6320 HE2 HIS B 578 6.090 133.129 15.447 1.00 23.20 H +ATOM 6321 N PHE B 579 0.591 136.781 11.984 1.00 25.71 N +ATOM 6322 CA PHE B 579 -0.580 137.033 11.147 1.00 25.91 C +ATOM 6323 C PHE B 579 -0.711 138.503 10.740 1.00 25.95 C +ATOM 6324 O PHE B 579 -0.939 138.810 9.575 1.00 25.87 O +ATOM 6325 CB PHE B 579 -1.857 136.595 11.875 1.00 26.38 C +ATOM 6326 CG PHE B 579 -3.123 137.004 11.178 1.00 26.89 C +ATOM 6327 CD1 PHE B 579 -3.411 136.540 9.896 1.00 27.44 C +ATOM 6328 CD2 PHE B 579 -4.019 137.869 11.792 1.00 27.06 C +ATOM 6329 CE1 PHE B 579 -4.575 136.934 9.236 1.00 27.15 C +ATOM 6330 CE2 PHE B 579 -5.186 138.270 11.140 1.00 28.00 C +ATOM 6331 CZ PHE B 579 -5.462 137.800 9.856 1.00 27.74 C +ATOM 6332 H PHE B 579 0.441 136.385 12.901 1.00 25.71 H +ATOM 6333 HA PHE B 579 -0.484 136.436 10.240 1.00 25.91 H +ATOM 6334 HB3 PHE B 579 -1.854 137.001 12.887 1.00 26.38 H +ATOM 6335 HB2 PHE B 579 -1.848 135.512 12.002 1.00 26.38 H +ATOM 6336 HD1 PHE B 579 -2.729 135.865 9.400 1.00 27.44 H +ATOM 6337 HD2 PHE B 579 -3.817 138.239 12.786 1.00 27.06 H +ATOM 6338 HE1 PHE B 579 -4.784 136.565 8.243 1.00 27.15 H +ATOM 6339 HE2 PHE B 579 -5.874 138.943 11.631 1.00 28.00 H +ATOM 6340 HZ PHE B 579 -6.362 138.108 9.345 1.00 27.74 H +ATOM 6341 N HIS B 580 -0.566 139.412 11.696 1.00 26.06 N +ATOM 6342 CA HIS B 580 -0.692 140.828 11.379 1.00 27.19 C +ATOM 6343 C HIS B 580 0.425 141.320 10.470 1.00 26.40 C +ATOM 6344 O HIS B 580 0.205 142.177 9.616 1.00 25.40 O +ATOM 6345 CB HIS B 580 -0.753 141.653 12.662 1.00 28.79 C +ATOM 6346 CG HIS B 580 -1.977 141.378 13.475 1.00 31.89 C +ATOM 6347 ND1 HIS B 580 -3.252 141.562 12.980 1.00 32.56 N +ATOM 6348 CD2 HIS B 580 -2.126 140.886 14.728 1.00 32.70 C +ATOM 6349 CE1 HIS B 580 -4.133 141.190 13.892 1.00 33.28 C +ATOM 6350 NE2 HIS B 580 -3.476 140.775 14.961 1.00 33.37 N +ATOM 6351 H HIS B 580 -0.368 139.121 12.643 1.00 26.06 H +ATOM 6352 HA HIS B 580 -1.635 140.967 10.850 1.00 27.19 H +ATOM 6353 HB3 HIS B 580 -0.714 142.713 12.413 1.00 28.79 H +ATOM 6354 HB2 HIS B 580 0.134 141.452 13.264 1.00 28.79 H +ATOM 6355 HD1 HIS B 580 -3.384 141.931 12.049 1.00 32.56 H +ATOM 6356 HD2 HIS B 580 -1.256 140.663 15.328 1.00 32.70 H +ATOM 6357 HE1 HIS B 580 -5.190 141.260 13.681 1.00 33.28 H +ATOM 6358 N TYR B 581 1.619 140.767 10.652 1.00 25.94 N +ATOM 6359 CA TYR B 581 2.769 141.125 9.829 1.00 25.60 C +ATOM 6360 C TYR B 581 2.509 140.663 8.389 1.00 25.68 C +ATOM 6361 O TYR B 581 2.746 141.409 7.434 1.00 25.32 O +ATOM 6362 CB TYR B 581 4.026 140.456 10.396 1.00 25.11 C +ATOM 6363 CG TYR B 581 5.241 140.472 9.492 1.00 25.29 C +ATOM 6364 CD1 TYR B 581 5.863 141.673 9.125 1.00 25.08 C +ATOM 6365 CD2 TYR B 581 5.804 139.276 9.047 1.00 24.56 C +ATOM 6366 CE1 TYR B 581 7.027 141.671 8.338 1.00 24.67 C +ATOM 6367 CE2 TYR B 581 6.954 139.260 8.271 1.00 24.38 C +ATOM 6368 CZ TYR B 581 7.565 140.455 7.920 1.00 24.60 C +ATOM 6369 OH TYR B 581 8.723 140.407 7.180 1.00 23.42 O +ATOM 6370 H TYR B 581 1.750 140.076 11.377 1.00 25.94 H +ATOM 6371 HA TYR B 581 2.899 142.207 9.842 1.00 25.60 H +ATOM 6372 HB3 TYR B 581 3.794 139.427 10.669 1.00 25.11 H +ATOM 6373 HB2 TYR B 581 4.281 140.919 11.350 1.00 25.11 H +ATOM 6374 HD1 TYR B 581 5.448 142.617 9.447 1.00 25.08 H +ATOM 6375 HD2 TYR B 581 5.344 138.334 9.307 1.00 24.56 H +ATOM 6376 HE1 TYR B 581 7.495 142.605 8.063 1.00 24.67 H +ATOM 6377 HE2 TYR B 581 7.370 138.320 7.941 1.00 24.38 H +ATOM 6378 HH TYR B 581 9.025 141.300 7.001 1.00 23.42 H +ATOM 6379 N LEU B 582 1.996 139.442 8.247 1.00 25.86 N +ATOM 6380 CA LEU B 582 1.689 138.867 6.937 1.00 26.53 C +ATOM 6381 C LEU B 582 0.536 139.592 6.233 1.00 27.80 C +ATOM 6382 O LEU B 582 0.625 139.915 5.047 1.00 27.50 O +ATOM 6383 CB LEU B 582 1.332 137.385 7.090 1.00 26.44 C +ATOM 6384 CG LEU B 582 2.446 136.431 7.540 1.00 25.69 C +ATOM 6385 CD1 LEU B 582 1.842 135.141 8.058 1.00 25.24 C +ATOM 6386 CD2 LEU B 582 3.391 136.164 6.372 1.00 26.27 C +ATOM 6387 H LEU B 582 1.805 138.877 9.062 1.00 25.86 H +ATOM 6388 HA LEU B 582 2.578 138.944 6.310 1.00 26.53 H +ATOM 6389 HB3 LEU B 582 0.905 137.021 6.156 1.00 26.44 H +ATOM 6390 HB2 LEU B 582 0.484 137.290 7.768 1.00 26.44 H +ATOM 6391 HG LEU B 582 3.008 136.904 8.346 1.00 25.69 H +ATOM 6392 HD11 LEU B 582 2.639 134.468 8.376 1.00 25.24 H +ATOM 6393 HD12 LEU B 582 1.191 135.358 8.904 1.00 25.24 H +ATOM 6394 HD13 LEU B 582 1.262 134.668 7.266 1.00 25.24 H +ATOM 6395 HD21 LEU B 582 4.183 135.487 6.691 1.00 26.27 H +ATOM 6396 HD22 LEU B 582 2.835 135.711 5.551 1.00 26.27 H +ATOM 6397 HD23 LEU B 582 3.831 137.104 6.037 1.00 26.27 H +ATOM 6398 N LYS B 583 -0.545 139.839 6.971 1.00 28.41 N +ATOM 6399 CA LYS B 583 -1.722 140.509 6.428 1.00 29.96 C +ATOM 6400 C LYS B 583 -1.347 141.876 5.857 1.00 30.33 C +ATOM 6401 O LYS B 583 -1.779 142.252 4.770 1.00 29.84 O +ATOM 6402 CB LYS B 583 -2.781 140.673 7.523 1.00 30.72 C +ATOM 6403 CG LYS B 583 -4.068 141.331 7.050 1.00 32.64 C +ATOM 6404 CD LYS B 583 -5.035 141.587 8.208 1.00 33.38 C +ATOM 6405 CE LYS B 583 -6.235 142.399 7.740 1.00 33.89 C +ATOM 6406 NZ LYS B 583 -7.183 142.714 8.849 1.00 35.59 N1+ +ATOM 6407 H LYS B 583 -0.569 139.559 7.941 1.00 28.41 H +ATOM 6408 HA LYS B 583 -2.137 139.896 5.628 1.00 29.96 H +ATOM 6409 HB3 LYS B 583 -2.362 141.251 8.347 1.00 30.72 H +ATOM 6410 HB2 LYS B 583 -3.010 139.698 7.953 1.00 30.72 H +ATOM 6411 HG3 LYS B 583 -4.550 140.693 6.310 1.00 32.64 H +ATOM 6412 HG2 LYS B 583 -3.833 142.275 6.558 1.00 32.64 H +ATOM 6413 HD3 LYS B 583 -4.518 142.128 9.000 1.00 33.38 H +ATOM 6414 HD2 LYS B 583 -5.377 140.635 8.613 1.00 33.38 H +ATOM 6415 HE3 LYS B 583 -6.761 141.850 6.959 1.00 33.89 H +ATOM 6416 HE2 LYS B 583 -5.889 143.326 7.285 1.00 33.89 H +ATOM 6417 HZ1 LYS B 583 -6.705 143.249 9.559 1.00 35.59 H +ATOM 6418 HZ2 LYS B 583 -7.958 143.251 8.487 1.00 35.59 H +ATOM 6419 HZ3 LYS B 583 -7.528 141.854 9.252 1.00 35.59 H +ATOM 6420 N ARG B 584 -0.534 142.608 6.604 1.00 31.29 N +ATOM 6421 CA ARG B 584 -0.080 143.925 6.190 1.00 32.45 C +ATOM 6422 C ARG B 584 0.777 143.848 4.917 1.00 31.76 C +ATOM 6423 O ARG B 584 0.548 144.586 3.957 1.00 31.88 O +ATOM 6424 CB ARG B 584 0.708 144.563 7.341 1.00 34.44 C +ATOM 6425 CG ARG B 584 1.386 145.881 7.014 1.00 38.46 C +ATOM 6426 CD ARG B 584 0.393 146.933 6.542 1.00 41.93 C +ATOM 6427 NE ARG B 584 1.050 148.209 6.263 1.00 44.77 N +ATOM 6428 CZ ARG B 584 0.431 149.275 5.762 1.00 46.74 C +ATOM 6429 NH1 ARG B 584 -0.866 149.222 5.482 1.00 47.22 N +ATOM 6430 NH2 ARG B 584 1.107 150.396 5.547 1.00 47.47 N1+ +ATOM 6431 H ARG B 584 -0.210 142.256 7.493 1.00 31.29 H +ATOM 6432 HA ARG B 584 -0.953 144.544 5.983 1.00 32.45 H +ATOM 6433 HB3 ARG B 584 1.453 143.855 7.704 1.00 34.44 H +ATOM 6434 HB2 ARG B 584 0.047 144.701 8.197 1.00 34.44 H +ATOM 6435 HG3 ARG B 584 2.138 145.720 6.241 1.00 38.46 H +ATOM 6436 HG2 ARG B 584 1.911 146.248 7.896 1.00 38.46 H +ATOM 6437 HD3 ARG B 584 -0.372 147.079 7.305 1.00 41.93 H +ATOM 6438 HD2 ARG B 584 -0.110 146.580 5.642 1.00 41.93 H +ATOM 6439 HE ARG B 584 2.037 148.251 6.474 1.00 44.77 H +ATOM 6440 HH12 ARG B 584 -1.334 150.033 5.102 1.00 47.22 H +ATOM 6441 HH11 ARG B 584 -1.385 148.372 5.648 1.00 47.22 H +ATOM 6442 HH22 ARG B 584 0.636 151.205 5.168 1.00 47.47 H +ATOM 6443 HH21 ARG B 584 2.093 150.441 5.763 1.00 47.47 H +ATOM 6444 N GLY B 585 1.748 142.939 4.904 1.00 31.11 N +ATOM 6445 CA GLY B 585 2.620 142.801 3.750 1.00 30.10 C +ATOM 6446 C GLY B 585 1.929 142.399 2.457 1.00 30.18 C +ATOM 6447 O GLY B 585 2.404 142.723 1.363 1.00 29.06 O +ATOM 6448 H GLY B 585 1.885 142.335 5.702 1.00 31.11 H +ATOM 6449 HA3 GLY B 585 3.406 142.081 3.977 1.00 30.10 H +ATOM 6450 HA2 GLY B 585 3.162 143.733 3.594 1.00 30.10 H +ATOM 6451 N LEU B 586 0.802 141.704 2.575 1.00 29.90 N +ATOM 6452 CA LEU B 586 0.069 141.251 1.403 1.00 30.21 C +ATOM 6453 C LEU B 586 -0.505 142.404 0.573 1.00 31.04 C +ATOM 6454 O LEU B 586 -0.762 142.235 -0.616 1.00 30.46 O +ATOM 6455 CB LEU B 586 -1.041 140.276 1.818 1.00 29.37 C +ATOM 6456 CG LEU B 586 -1.758 139.497 0.707 1.00 29.24 C +ATOM 6457 CD1 LEU B 586 -0.754 138.795 -0.188 1.00 28.40 C +ATOM 6458 CD2 LEU B 586 -2.708 138.490 1.327 1.00 28.90 C +ATOM 6459 H LEU B 586 0.439 141.482 3.491 1.00 29.90 H +ATOM 6460 HA LEU B 586 0.767 140.705 0.768 1.00 30.21 H +ATOM 6461 HB3 LEU B 586 -1.781 140.809 2.416 1.00 29.37 H +ATOM 6462 HB2 LEU B 586 -0.643 139.572 2.549 1.00 29.37 H +ATOM 6463 HG LEU B 586 -2.335 140.198 0.104 1.00 29.24 H +ATOM 6464 HD11 LEU B 586 -1.283 138.248 -0.969 1.00 28.40 H +ATOM 6465 HD12 LEU B 586 -0.095 139.533 -0.644 1.00 28.40 H +ATOM 6466 HD13 LEU B 586 -0.162 138.098 0.405 1.00 28.40 H +ATOM 6467 HD21 LEU B 586 -3.217 137.937 0.538 1.00 28.90 H +ATOM 6468 HD22 LEU B 586 -2.146 137.796 1.952 1.00 28.90 H +ATOM 6469 HD23 LEU B 586 -3.445 139.013 1.937 1.00 28.90 H +ATOM 6470 N ARG B 587 -0.703 143.572 1.188 1.00 31.89 N +ATOM 6471 CA ARG B 587 -1.225 144.720 0.447 1.00 33.38 C +ATOM 6472 C ARG B 587 -0.114 145.711 0.090 1.00 33.79 C +ATOM 6473 O ARG B 587 0.013 146.115 -1.063 1.00 33.34 O +ATOM 6474 CB ARG B 587 -2.303 145.481 1.240 1.00 34.64 C +ATOM 6475 CG ARG B 587 -3.485 144.671 1.781 1.00 36.76 C +ATOM 6476 CD ARG B 587 -4.275 143.873 0.724 1.00 38.29 C +ATOM 6477 NE ARG B 587 -4.614 144.618 -0.488 1.00 38.94 N +ATOM 6478 CZ ARG B 587 -5.666 144.350 -1.263 1.00 39.04 C +ATOM 6479 NH1 ARG B 587 -6.498 143.364 -0.952 1.00 38.85 N +ATOM 6480 NH2 ARG B 587 -5.872 145.044 -2.373 1.00 39.07 N1+ +ATOM 6481 H ARG B 587 -0.492 143.667 2.171 1.00 31.89 H +ATOM 6482 HA ARG B 587 -1.672 144.357 -0.479 1.00 33.38 H +ATOM 6483 HB3 ARG B 587 -2.681 146.303 0.633 1.00 34.64 H +ATOM 6484 HB2 ARG B 587 -1.830 146.017 2.063 1.00 34.64 H +ATOM 6485 HG3 ARG B 587 -4.165 145.336 2.313 1.00 36.76 H +ATOM 6486 HG2 ARG B 587 -3.131 143.990 2.556 1.00 36.76 H +ATOM 6487 HD3 ARG B 587 -5.188 143.483 1.174 1.00 38.29 H +ATOM 6488 HD2 ARG B 587 -3.713 142.979 0.452 1.00 38.29 H +ATOM 6489 HE ARG B 587 -3.993 145.379 -0.726 1.00 38.94 H +ATOM 6490 HH12 ARG B 587 -7.292 143.167 -1.544 1.00 38.85 H +ATOM 6491 HH11 ARG B 587 -6.337 142.810 -0.122 1.00 38.85 H +ATOM 6492 HH22 ARG B 587 -6.670 144.837 -2.957 1.00 39.07 H +ATOM 6493 HH21 ARG B 587 -5.231 145.779 -2.636 1.00 39.07 H +ATOM 6494 N GLN B 588 0.688 146.109 1.075 1.00 34.64 N +ATOM 6495 CA GLN B 588 1.757 147.073 0.823 1.00 36.40 C +ATOM 6496 C GLN B 588 3.088 146.735 1.460 1.00 36.19 C +ATOM 6497 O GLN B 588 3.165 145.935 2.395 1.00 36.83 O +ATOM 6498 CB GLN B 588 1.360 148.470 1.301 1.00 37.60 C +ATOM 6499 CG GLN B 588 0.201 149.087 0.572 1.00 40.77 C +ATOM 6500 CD GLN B 588 0.080 150.564 0.877 1.00 42.77 C +ATOM 6501 OE1 GLN B 588 0.277 150.989 2.019 1.00 44.14 O +ATOM 6502 NE2 GLN B 588 -0.248 151.357 -0.138 1.00 43.98 N +ATOM 6503 H GLN B 588 0.561 145.744 2.008 1.00 34.64 H +ATOM 6504 HA GLN B 588 1.910 147.123 -0.255 1.00 36.40 H +ATOM 6505 HB3 GLN B 588 2.223 149.133 1.234 1.00 37.60 H +ATOM 6506 HB2 GLN B 588 1.138 148.436 2.368 1.00 37.60 H +ATOM 6507 HG3 GLN B 588 -0.720 148.581 0.859 1.00 40.77 H +ATOM 6508 HG2 GLN B 588 0.332 148.949 -0.501 1.00 40.77 H +ATOM 6509 HE22 GLN B 588 -0.343 152.352 0.009 1.00 43.98 H +ATOM 6510 HE21 GLN B 588 -0.403 150.965 -1.055 1.00 43.98 H +ATOM 6511 N LEU B 589 4.133 147.389 0.957 1.00 35.48 N +ATOM 6512 CA LEU B 589 5.487 147.189 1.443 1.00 34.66 C +ATOM 6513 C LEU B 589 6.252 148.507 1.374 1.00 34.78 C +ATOM 6514 O LEU B 589 5.948 149.367 0.543 1.00 34.39 O +ATOM 6515 CB LEU B 589 6.191 146.142 0.582 1.00 34.43 C +ATOM 6516 CG LEU B 589 5.489 144.787 0.498 1.00 34.38 C +ATOM 6517 CD1 LEU B 589 6.085 143.963 -0.631 1.00 34.02 C +ATOM 6518 CD2 LEU B 589 5.615 144.070 1.839 1.00 34.53 C +ATOM 6519 H LEU B 589 4.000 148.054 0.209 1.00 35.48 H +ATOM 6520 HA LEU B 589 5.453 146.844 2.476 1.00 34.66 H +ATOM 6521 HB3 LEU B 589 7.208 146.000 0.948 1.00 34.43 H +ATOM 6522 HB2 LEU B 589 6.331 146.538 -0.424 1.00 34.43 H +ATOM 6523 HG LEU B 589 4.432 144.954 0.289 1.00 34.38 H +ATOM 6524 HD11 LEU B 589 5.579 142.999 -0.684 1.00 34.02 H +ATOM 6525 HD12 LEU B 589 5.956 144.493 -1.575 1.00 34.02 H +ATOM 6526 HD13 LEU B 589 7.147 143.806 -0.445 1.00 34.02 H +ATOM 6527 HD21 LEU B 589 5.115 143.103 1.782 1.00 34.53 H +ATOM 6528 HD22 LEU B 589 6.669 143.920 2.074 1.00 34.53 H +ATOM 6529 HD23 LEU B 589 5.151 144.673 2.619 1.00 34.53 H +ATOM 6530 N THR B 590 7.236 148.667 2.255 1.00 34.79 N +ATOM 6531 CA THR B 590 8.049 149.878 2.274 1.00 35.59 C +ATOM 6532 C THR B 590 9.066 149.778 1.142 1.00 35.93 C +ATOM 6533 O THR B 590 9.250 148.700 0.567 1.00 35.93 O +ATOM 6534 CB THR B 590 8.804 150.027 3.606 1.00 36.04 C +ATOM 6535 OG1 THR B 590 9.671 148.903 3.792 1.00 36.17 O +ATOM 6536 CG2 THR B 590 7.823 150.091 4.772 1.00 36.12 C +ATOM 6537 H THR B 590 7.433 147.941 2.929 1.00 34.79 H +ATOM 6538 HA THR B 590 7.412 150.748 2.116 1.00 35.59 H +ATOM 6539 HB THR B 590 9.398 150.940 3.584 1.00 36.04 H +ATOM 6540 HG1 THR B 590 10.070 148.947 4.664 1.00 36.17 H +ATOM 6541 HG21 THR B 590 8.375 150.196 5.706 1.00 36.12 H +ATOM 6542 HG22 THR B 590 7.161 150.947 4.643 1.00 36.12 H +ATOM 6543 HG23 THR B 590 7.232 149.176 4.800 1.00 36.12 H +ATOM 6544 N ASP B 591 9.726 150.888 0.818 1.00 35.93 N +ATOM 6545 CA ASP B 591 10.711 150.868 -0.253 1.00 35.64 C +ATOM 6546 C ASP B 591 11.857 149.924 0.077 1.00 35.06 C +ATOM 6547 O ASP B 591 12.734 149.685 -0.749 1.00 35.45 O +ATOM 6548 CB ASP B 591 11.253 152.272 -0.544 1.00 36.78 C +ATOM 6549 CG ASP B 591 11.777 152.979 0.695 1.00 37.47 C +ATOM 6550 OD1 ASP B 591 12.429 152.333 1.541 1.00 38.57 O +ATOM 6551 OD2 ASP B 591 11.548 154.199 0.808 1.00 38.77 O1- +ATOM 6552 H ASP B 591 9.544 151.747 1.316 1.00 35.93 H +ATOM 6553 HA ASP B 591 10.221 150.502 -1.155 1.00 35.64 H +ATOM 6554 HB3 ASP B 591 10.468 152.876 -1.000 1.00 36.78 H +ATOM 6555 HB2 ASP B 591 12.048 152.207 -1.287 1.00 36.78 H +ATOM 6556 N ALA B 592 11.845 149.385 1.290 1.00 34.26 N +ATOM 6557 CA ALA B 592 12.876 148.447 1.698 1.00 33.49 C +ATOM 6558 C ALA B 592 12.751 147.215 0.810 1.00 33.06 C +ATOM 6559 O ALA B 592 13.674 146.409 0.718 1.00 33.24 O +ATOM 6560 CB ALA B 592 12.692 148.058 3.162 1.00 33.25 C +ATOM 6561 H ALA B 592 11.113 149.627 1.943 1.00 34.26 H +ATOM 6562 HA ALA B 592 13.858 148.899 1.561 1.00 33.49 H +ATOM 6563 HB1 ALA B 592 13.472 147.354 3.452 1.00 33.25 H +ATOM 6564 HB2 ALA B 592 12.757 148.949 3.786 1.00 33.25 H +ATOM 6565 HB3 ALA B 592 11.716 147.592 3.294 1.00 33.25 H +ATOM 6566 N TYR B 593 11.601 147.074 0.155 1.00 32.21 N +ATOM 6567 CA TYR B 593 11.373 145.935 -0.723 1.00 31.21 C +ATOM 6568 C TYR B 593 11.574 146.255 -2.199 1.00 30.49 C +ATOM 6569 O TYR B 593 11.131 145.508 -3.069 1.00 30.18 O +ATOM 6570 CB TYR B 593 9.977 145.340 -0.492 1.00 31.26 C +ATOM 6571 CG TYR B 593 9.960 144.349 0.653 1.00 31.60 C +ATOM 6572 CD1 TYR B 593 9.832 144.776 1.981 1.00 32.12 C +ATOM 6573 CD2 TYR B 593 10.162 142.989 0.418 1.00 31.70 C +ATOM 6574 CE1 TYR B 593 9.913 143.866 3.048 1.00 30.96 C +ATOM 6575 CE2 TYR B 593 10.249 142.073 1.470 1.00 31.53 C +ATOM 6576 CZ TYR B 593 10.125 142.516 2.782 1.00 31.55 C +ATOM 6577 OH TYR B 593 10.234 141.606 3.819 1.00 30.48 O +ATOM 6578 H TYR B 593 10.871 147.763 0.263 1.00 32.21 H +ATOM 6579 HA TYR B 593 12.100 145.169 -0.455 1.00 31.21 H +ATOM 6580 HB3 TYR B 593 9.637 144.848 -1.403 1.00 31.26 H +ATOM 6581 HB2 TYR B 593 9.270 146.144 -0.285 1.00 31.26 H +ATOM 6582 HD1 TYR B 593 9.668 145.821 2.198 1.00 32.12 H +ATOM 6583 HD2 TYR B 593 10.255 142.625 -0.595 1.00 31.70 H +ATOM 6584 HE1 TYR B 593 9.811 144.215 4.065 1.00 30.96 H +ATOM 6585 HE2 TYR B 593 10.412 141.026 1.262 1.00 31.53 H +ATOM 6586 HH TYR B 593 10.088 142.054 4.655 1.00 30.48 H +ATOM 6587 N GLU B 594 12.245 147.364 -2.482 1.00 29.32 N +ATOM 6588 CA GLU B 594 12.507 147.720 -3.864 1.00 28.92 C +ATOM 6589 C GLU B 594 13.466 146.689 -4.458 1.00 27.88 C +ATOM 6590 O GLU B 594 13.457 146.448 -5.663 1.00 27.24 O +ATOM 6591 CB GLU B 594 13.108 149.131 -3.960 1.00 29.35 C +ATOM 6592 CG GLU B 594 12.068 150.249 -3.881 1.00 29.91 C +ATOM 6593 CD GLU B 594 12.670 151.644 -4.031 1.00 30.34 C +ATOM 6594 OE1 GLU B 594 11.894 152.605 -4.236 1.00 29.91 O +ATOM 6595 OE2 GLU B 594 13.911 151.781 -3.938 1.00 29.61 O1- +ATOM 6596 H GLU B 594 12.573 147.961 -1.735 1.00 29.32 H +ATOM 6597 HA GLU B 594 11.570 147.695 -4.420 1.00 28.92 H +ATOM 6598 HB3 GLU B 594 13.668 149.223 -4.891 1.00 29.35 H +ATOM 6599 HB2 GLU B 594 13.844 149.265 -3.168 1.00 29.35 H +ATOM 6600 HG3 GLU B 594 11.538 150.184 -2.931 1.00 29.91 H +ATOM 6601 HG2 GLU B 594 11.313 150.096 -4.653 1.00 29.91 H +ATOM 6602 N CYS B 595 14.281 146.073 -3.601 1.00 27.22 N +ATOM 6603 CA CYS B 595 15.241 145.063 -4.041 1.00 26.79 C +ATOM 6604 C CYS B 595 14.539 143.791 -4.506 1.00 25.96 C +ATOM 6605 O CYS B 595 15.167 142.908 -5.089 1.00 25.47 O +ATOM 6606 CB CYS B 595 16.229 144.727 -2.913 1.00 27.16 C +ATOM 6607 SG CYS B 595 15.475 144.071 -1.392 1.00 29.44 S +ATOM 6608 H CYS B 595 14.245 146.301 -2.618 1.00 27.22 H +ATOM 6609 HA CYS B 595 15.805 145.469 -4.881 1.00 26.79 H +ATOM 6610 HB3 CYS B 595 16.815 145.614 -2.671 1.00 27.16 H +ATOM 6611 HB2 CYS B 595 16.971 144.019 -3.282 1.00 27.16 H +ATOM 6612 HG CYS B 595 14.621 144.969 -0.894 1.00 29.44 H +ATOM 6613 N LEU B 596 13.236 143.708 -4.250 1.00 24.96 N +ATOM 6614 CA LEU B 596 12.446 142.549 -4.652 1.00 24.53 C +ATOM 6615 C LEU B 596 11.360 142.934 -5.653 1.00 24.04 C +ATOM 6616 O LEU B 596 10.351 142.245 -5.791 1.00 23.61 O +ATOM 6617 CB LEU B 596 11.818 141.879 -3.421 1.00 24.55 C +ATOM 6618 CG LEU B 596 12.791 141.065 -2.556 1.00 25.42 C +ATOM 6619 CD1 LEU B 596 12.114 140.624 -1.261 1.00 25.78 C +ATOM 6620 CD2 LEU B 596 13.270 139.855 -3.346 1.00 24.79 C +ATOM 6621 H LEU B 596 12.767 144.459 -3.765 1.00 24.96 H +ATOM 6622 HA LEU B 596 13.112 141.831 -5.129 1.00 24.53 H +ATOM 6623 HB3 LEU B 596 10.996 141.239 -3.740 1.00 24.55 H +ATOM 6624 HB2 LEU B 596 11.336 142.638 -2.805 1.00 24.55 H +ATOM 6625 HG LEU B 596 13.651 141.689 -2.310 1.00 25.42 H +ATOM 6626 HD11 LEU B 596 12.818 140.048 -0.660 1.00 25.78 H +ATOM 6627 HD12 LEU B 596 11.792 141.502 -0.701 1.00 25.78 H +ATOM 6628 HD13 LEU B 596 11.247 140.006 -1.496 1.00 25.78 H +ATOM 6629 HD21 LEU B 596 13.961 139.273 -2.736 1.00 24.79 H +ATOM 6630 HD22 LEU B 596 12.415 139.235 -3.616 1.00 24.79 H +ATOM 6631 HD23 LEU B 596 13.777 140.188 -4.252 1.00 24.79 H +ATOM 6632 N ASP B 597 11.591 144.031 -6.366 1.00 24.11 N +ATOM 6633 CA ASP B 597 10.640 144.520 -7.359 1.00 23.78 C +ATOM 6634 C ASP B 597 10.519 143.571 -8.560 1.00 23.53 C +ATOM 6635 O ASP B 597 9.563 143.655 -9.336 1.00 23.15 O +ATOM 6636 CB ASP B 597 11.051 145.926 -7.819 1.00 23.62 C +ATOM 6637 CG ASP B 597 10.019 146.566 -8.720 1.00 23.81 C +ATOM 6638 OD1 ASP B 597 8.822 146.529 -8.368 1.00 23.02 O +ATOM 6639 OD2 ASP B 597 10.405 147.108 -9.779 1.00 24.09 O1- +ATOM 6640 H ASP B 597 12.445 144.552 -6.229 1.00 24.11 H +ATOM 6641 HA ASP B 597 9.662 144.591 -6.884 1.00 23.78 H +ATOM 6642 HB3 ASP B 597 12.005 145.871 -8.343 1.00 23.62 H +ATOM 6643 HB2 ASP B 597 11.214 146.560 -6.947 1.00 23.62 H +ATOM 6644 N ALA B 598 11.486 142.667 -8.708 1.00 22.66 N +ATOM 6645 CA ALA B 598 11.459 141.694 -9.798 1.00 22.36 C +ATOM 6646 C ALA B 598 11.131 140.302 -9.231 1.00 22.27 C +ATOM 6647 O ALA B 598 11.425 139.277 -9.847 1.00 21.66 O +ATOM 6648 CB ALA B 598 12.813 141.673 -10.515 1.00 21.01 C +ATOM 6649 H ALA B 598 12.260 142.644 -8.059 1.00 22.66 H +ATOM 6650 HA ALA B 598 10.684 141.979 -10.510 1.00 22.36 H +ATOM 6651 HB1 ALA B 598 12.784 140.946 -11.326 1.00 21.01 H +ATOM 6652 HB2 ALA B 598 13.024 142.662 -10.922 1.00 21.01 H +ATOM 6653 HB3 ALA B 598 13.595 141.398 -9.808 1.00 21.01 H +ATOM 6654 N SER B 599 10.515 140.282 -8.052 1.00 21.81 N +ATOM 6655 CA SER B 599 10.147 139.032 -7.380 1.00 22.70 C +ATOM 6656 C SER B 599 8.810 139.154 -6.654 1.00 22.33 C +ATOM 6657 O SER B 599 8.594 138.495 -5.638 1.00 22.02 O +ATOM 6658 CB SER B 599 11.211 138.652 -6.341 1.00 21.94 C +ATOM 6659 OG SER B 599 12.447 138.331 -6.944 1.00 24.86 O +ATOM 6660 H SER B 599 10.285 141.149 -7.587 1.00 21.81 H +ATOM 6661 HA SER B 599 10.076 138.237 -8.123 1.00 22.70 H +ATOM 6662 HB3 SER B 599 10.860 137.800 -5.758 1.00 21.94 H +ATOM 6663 HB2 SER B 599 11.351 139.479 -5.646 1.00 21.94 H +ATOM 6664 HG SER B 599 12.469 137.394 -7.151 1.00 24.86 H +ATOM 6665 N ARG B 600 7.909 139.986 -7.158 1.00 22.43 N +ATOM 6666 CA ARG B 600 6.639 140.158 -6.466 1.00 22.98 C +ATOM 6667 C ARG B 600 5.769 138.909 -6.375 1.00 22.79 C +ATOM 6668 O ARG B 600 5.030 138.743 -5.407 1.00 23.47 O +ATOM 6669 CB ARG B 600 5.900 141.368 -7.042 1.00 22.56 C +ATOM 6670 CG ARG B 600 6.682 142.647 -6.695 1.00 23.34 C +ATOM 6671 CD ARG B 600 6.118 143.888 -7.319 1.00 23.64 C +ATOM 6672 NE ARG B 600 4.769 144.158 -6.851 1.00 23.83 N +ATOM 6673 CZ ARG B 600 3.891 144.878 -7.535 1.00 23.72 C +ATOM 6674 NH1 ARG B 600 4.234 145.387 -8.711 1.00 22.47 N +ATOM 6675 NH2 ARG B 600 2.679 145.095 -7.039 1.00 24.56 N1+ +ATOM 6676 H ARG B 600 8.108 140.489 -8.011 1.00 22.43 H +ATOM 6677 HA ARG B 600 6.891 140.423 -5.440 1.00 22.98 H +ATOM 6678 HB3 ARG B 600 4.902 141.424 -6.607 1.00 22.56 H +ATOM 6679 HB2 ARG B 600 5.829 141.268 -8.125 1.00 22.56 H +ATOM 6680 HG3 ARG B 600 7.722 142.529 -7.000 1.00 23.34 H +ATOM 6681 HG2 ARG B 600 6.713 142.769 -5.612 1.00 23.34 H +ATOM 6682 HD3 ARG B 600 6.111 143.777 -8.403 1.00 23.64 H +ATOM 6683 HD2 ARG B 600 6.760 144.736 -7.084 1.00 23.64 H +ATOM 6684 HE ARG B 600 4.513 143.766 -5.957 1.00 23.83 H +ATOM 6685 HH12 ARG B 600 3.569 145.937 -9.236 1.00 22.47 H +ATOM 6686 HH11 ARG B 600 5.160 145.225 -9.080 1.00 22.47 H +ATOM 6687 HH22 ARG B 600 2.011 145.644 -7.561 1.00 24.56 H +ATOM 6688 HH21 ARG B 600 2.425 144.711 -6.140 1.00 24.56 H +ATOM 6689 N PRO B 601 5.840 138.006 -7.370 1.00 23.03 N +ATOM 6690 CA PRO B 601 4.995 136.815 -7.214 1.00 22.44 C +ATOM 6691 C PRO B 601 5.522 135.996 -6.029 1.00 22.69 C +ATOM 6692 O PRO B 601 4.778 135.244 -5.396 1.00 22.60 O +ATOM 6693 CB PRO B 601 5.165 136.092 -8.547 1.00 22.44 C +ATOM 6694 CG PRO B 601 5.336 137.244 -9.517 1.00 22.31 C +ATOM 6695 CD PRO B 601 6.307 138.140 -8.763 1.00 22.43 C +ATOM 6696 HA PRO B 601 3.954 137.097 -7.057 1.00 22.44 H +ATOM 6697 HB3 PRO B 601 4.246 135.557 -8.785 1.00 22.44 H +ATOM 6698 HB2 PRO B 601 6.083 135.505 -8.523 1.00 22.44 H +ATOM 6699 HG3 PRO B 601 4.384 137.763 -9.629 1.00 22.31 H +ATOM 6700 HG2 PRO B 601 5.817 136.880 -10.425 1.00 22.31 H +ATOM 6701 HD2 PRO B 601 7.313 137.728 -8.846 1.00 22.43 H +ATOM 6702 HD3 PRO B 601 6.171 139.171 -9.089 1.00 22.43 H +ATOM 6703 N TRP B 602 6.812 136.145 -5.733 1.00 22.32 N +ATOM 6704 CA TRP B 602 7.410 135.443 -4.603 1.00 22.11 C +ATOM 6705 C TRP B 602 6.815 135.971 -3.303 1.00 22.47 C +ATOM 6706 O TRP B 602 6.506 135.198 -2.387 1.00 22.29 O +ATOM 6707 CB TRP B 602 8.925 135.645 -4.567 1.00 21.22 C +ATOM 6708 CG TRP B 602 9.696 134.692 -5.429 1.00 21.41 C +ATOM 6709 CD1 TRP B 602 10.327 134.972 -6.608 1.00 20.60 C +ATOM 6710 CD2 TRP B 602 9.943 133.306 -5.159 1.00 21.02 C +ATOM 6711 NE1 TRP B 602 10.955 133.845 -7.087 1.00 20.69 N +ATOM 6712 CE2 TRP B 602 10.736 132.808 -6.217 1.00 21.09 C +ATOM 6713 CE3 TRP B 602 9.570 132.437 -4.122 1.00 20.93 C +ATOM 6714 CZ2 TRP B 602 11.166 131.475 -6.271 1.00 20.83 C +ATOM 6715 CZ3 TRP B 602 9.995 131.113 -4.173 1.00 21.16 C +ATOM 6716 CH2 TRP B 602 10.787 130.645 -5.243 1.00 21.41 C +ATOM 6717 H TRP B 602 7.392 136.752 -6.295 1.00 22.32 H +ATOM 6718 HA TRP B 602 7.194 134.378 -4.688 1.00 22.11 H +ATOM 6719 HB3 TRP B 602 9.276 135.566 -3.538 1.00 21.22 H +ATOM 6720 HB2 TRP B 602 9.160 136.669 -4.860 1.00 21.22 H +ATOM 6721 HD1 TRP B 602 10.280 135.968 -7.023 1.00 20.60 H +ATOM 6722 HE1 TRP B 602 11.471 133.884 -7.955 1.00 20.69 H +ATOM 6723 HE3 TRP B 602 8.965 132.800 -3.304 1.00 20.93 H +ATOM 6724 HZ2 TRP B 602 11.771 131.135 -7.098 1.00 20.83 H +ATOM 6725 HZ3 TRP B 602 9.719 130.426 -3.387 1.00 21.16 H +ATOM 6726 HH2 TRP B 602 11.096 129.610 -5.243 1.00 21.41 H +ATOM 6727 N LEU B 603 6.671 137.291 -3.216 1.00 22.26 N +ATOM 6728 CA LEU B 603 6.102 137.901 -2.019 1.00 22.62 C +ATOM 6729 C LEU B 603 4.691 137.357 -1.817 1.00 22.74 C +ATOM 6730 O LEU B 603 4.297 137.042 -0.694 1.00 22.83 O +ATOM 6731 CB LEU B 603 6.096 139.427 -2.154 1.00 22.97 C +ATOM 6732 CG LEU B 603 7.496 140.060 -2.085 1.00 23.62 C +ATOM 6733 CD1 LEU B 603 7.485 141.456 -2.692 1.00 23.33 C +ATOM 6734 CD2 LEU B 603 7.966 140.104 -0.638 1.00 23.53 C +ATOM 6735 H LEU B 603 6.957 137.882 -3.983 1.00 22.26 H +ATOM 6736 HA LEU B 603 6.712 137.626 -1.159 1.00 22.62 H +ATOM 6737 HB3 LEU B 603 5.467 139.856 -1.374 1.00 22.97 H +ATOM 6738 HB2 LEU B 603 5.619 139.705 -3.093 1.00 22.97 H +ATOM 6739 HG LEU B 603 8.186 139.439 -2.656 1.00 23.62 H +ATOM 6740 HD11 LEU B 603 8.485 141.886 -2.633 1.00 23.33 H +ATOM 6741 HD12 LEU B 603 7.176 141.397 -3.735 1.00 23.33 H +ATOM 6742 HD13 LEU B 603 6.786 142.086 -2.141 1.00 23.33 H +ATOM 6743 HD21 LEU B 603 8.958 140.553 -0.592 1.00 23.53 H +ATOM 6744 HD22 LEU B 603 7.270 140.700 -0.048 1.00 23.53 H +ATOM 6745 HD23 LEU B 603 8.007 139.091 -0.238 1.00 23.53 H +ATOM 6746 N CYS B 604 3.943 137.223 -2.908 1.00 22.69 N +ATOM 6747 CA CYS B 604 2.586 136.691 -2.840 1.00 22.92 C +ATOM 6748 C CYS B 604 2.602 135.266 -2.282 1.00 22.79 C +ATOM 6749 O CYS B 604 1.849 134.938 -1.353 1.00 22.36 O +ATOM 6750 CB CYS B 604 1.938 136.675 -4.233 1.00 23.28 C +ATOM 6751 SG CYS B 604 1.421 138.294 -4.888 1.00 24.25 S +ATOM 6752 H CYS B 604 4.312 137.492 -3.809 1.00 22.69 H +ATOM 6753 HA CYS B 604 1.991 137.323 -2.180 1.00 22.92 H +ATOM 6754 HB3 CYS B 604 1.082 136.000 -4.223 1.00 23.28 H +ATOM 6755 HB2 CYS B 604 2.618 136.201 -4.941 1.00 23.28 H +ATOM 6756 HG CYS B 604 2.484 139.097 -4.981 1.00 24.25 H +ATOM 6757 N TYR B 605 3.465 134.427 -2.853 1.00 22.01 N +ATOM 6758 CA TYR B 605 3.573 133.031 -2.439 1.00 21.80 C +ATOM 6759 C TYR B 605 4.035 132.875 -0.996 1.00 21.62 C +ATOM 6760 O TYR B 605 3.413 132.152 -0.218 1.00 21.97 O +ATOM 6761 CB TYR B 605 4.528 132.267 -3.366 1.00 21.26 C +ATOM 6762 CG TYR B 605 5.018 130.965 -2.768 1.00 21.31 C +ATOM 6763 CD1 TYR B 605 4.140 129.908 -2.525 1.00 20.91 C +ATOM 6764 CD2 TYR B 605 6.352 130.815 -2.383 1.00 21.02 C +ATOM 6765 CE1 TYR B 605 4.576 128.736 -1.906 1.00 21.61 C +ATOM 6766 CE2 TYR B 605 6.799 129.652 -1.766 1.00 21.52 C +ATOM 6767 CZ TYR B 605 5.907 128.617 -1.527 1.00 21.68 C +ATOM 6768 OH TYR B 605 6.348 127.479 -0.896 1.00 22.47 O +ATOM 6769 H TYR B 605 4.069 134.751 -3.595 1.00 22.01 H +ATOM 6770 HA TYR B 605 2.586 132.578 -2.527 1.00 21.80 H +ATOM 6771 HB3 TYR B 605 5.383 132.899 -3.606 1.00 21.26 H +ATOM 6772 HB2 TYR B 605 4.029 132.065 -4.313 1.00 21.26 H +ATOM 6773 HD1 TYR B 605 3.103 129.989 -2.817 1.00 20.91 H +ATOM 6774 HD2 TYR B 605 7.059 131.612 -2.563 1.00 21.02 H +ATOM 6775 HE1 TYR B 605 3.880 127.930 -1.725 1.00 21.61 H +ATOM 6776 HE2 TYR B 605 7.835 129.559 -1.476 1.00 21.52 H +ATOM 6777 HH TYR B 605 5.604 126.896 -0.729 1.00 22.47 H +ATOM 6778 N TRP B 606 5.129 133.539 -0.642 1.00 21.26 N +ATOM 6779 CA TRP B 606 5.649 133.460 0.716 1.00 21.22 C +ATOM 6780 C TRP B 606 4.582 133.846 1.744 1.00 21.61 C +ATOM 6781 O TRP B 606 4.422 133.176 2.771 1.00 21.62 O +ATOM 6782 CB TRP B 606 6.859 134.382 0.893 1.00 20.42 C +ATOM 6783 CG TRP B 606 8.077 133.981 0.121 1.00 20.35 C +ATOM 6784 CD1 TRP B 606 8.482 132.708 -0.183 1.00 19.48 C +ATOM 6785 CD2 TRP B 606 9.091 134.857 -0.392 1.00 20.14 C +ATOM 6786 NE1 TRP B 606 9.684 132.741 -0.850 1.00 19.62 N +ATOM 6787 CE2 TRP B 606 10.079 134.046 -0.992 1.00 19.54 C +ATOM 6788 CE3 TRP B 606 9.260 136.249 -0.400 1.00 19.89 C +ATOM 6789 CZ2 TRP B 606 11.222 134.581 -1.598 1.00 20.13 C +ATOM 6790 CZ3 TRP B 606 10.401 136.782 -1.000 1.00 19.86 C +ATOM 6791 CH2 TRP B 606 11.365 135.949 -1.590 1.00 20.06 C +ATOM 6792 H TRP B 606 5.614 134.111 -1.319 1.00 21.26 H +ATOM 6793 HA TRP B 606 5.962 132.434 0.909 1.00 21.22 H +ATOM 6794 HB3 TRP B 606 7.109 134.449 1.952 1.00 20.42 H +ATOM 6795 HB2 TRP B 606 6.579 135.400 0.623 1.00 20.42 H +ATOM 6796 HD1 TRP B 606 7.872 131.864 0.105 1.00 19.48 H +ATOM 6797 HE1 TRP B 606 10.122 131.880 -1.145 1.00 19.62 H +ATOM 6798 HE3 TRP B 606 8.514 136.887 0.052 1.00 19.89 H +ATOM 6799 HZ2 TRP B 606 11.952 133.925 -2.049 1.00 20.13 H +ATOM 6800 HZ3 TRP B 606 10.554 137.851 -1.015 1.00 19.86 H +ATOM 6801 HH2 TRP B 606 12.233 136.404 -2.045 1.00 20.06 H +ATOM 6802 N ILE B 607 3.860 134.929 1.469 1.00 21.41 N +ATOM 6803 CA ILE B 607 2.826 135.397 2.385 1.00 20.96 C +ATOM 6804 C ILE B 607 1.598 134.494 2.430 1.00 21.03 C +ATOM 6805 O ILE B 607 1.113 134.166 3.515 1.00 21.54 O +ATOM 6806 CB ILE B 607 2.400 136.840 2.048 1.00 21.25 C +ATOM 6807 CG1 ILE B 607 3.585 137.780 2.295 1.00 19.88 C +ATOM 6808 CG2 ILE B 607 1.203 137.261 2.909 1.00 19.53 C +ATOM 6809 CD1 ILE B 607 3.318 139.219 1.912 1.00 20.92 C +ATOM 6810 H ILE B 607 4.024 135.442 0.614 1.00 21.41 H +ATOM 6811 HA ILE B 607 3.258 135.410 3.386 1.00 20.96 H +ATOM 6812 HB ILE B 607 2.118 136.891 0.996 1.00 21.25 H +ATOM 6813 HG13 ILE B 607 4.455 137.416 1.749 1.00 19.88 H +ATOM 6814 HG12 ILE B 607 3.871 137.733 3.346 1.00 19.88 H +ATOM 6815 HG21 ILE B 607 0.915 138.282 2.659 1.00 19.53 H +ATOM 6816 HG22 ILE B 607 0.365 136.590 2.720 1.00 19.53 H +ATOM 6817 HG23 ILE B 607 1.477 137.210 3.963 1.00 19.53 H +ATOM 6818 HD11 ILE B 607 4.204 139.820 2.116 1.00 20.92 H +ATOM 6819 HD12 ILE B 607 3.080 139.274 0.849 1.00 20.92 H +ATOM 6820 HD13 ILE B 607 2.478 139.600 2.492 1.00 20.92 H +ATOM 6821 N LEU B 608 1.100 134.077 1.270 1.00 21.10 N +ATOM 6822 CA LEU B 608 -0.068 133.206 1.243 1.00 21.52 C +ATOM 6823 C LEU B 608 0.210 131.843 1.871 1.00 21.56 C +ATOM 6824 O LEU B 608 -0.632 131.304 2.587 1.00 21.64 O +ATOM 6825 CB LEU B 608 -0.568 133.019 -0.188 1.00 21.44 C +ATOM 6826 CG LEU B 608 -1.150 134.269 -0.854 1.00 22.44 C +ATOM 6827 CD1 LEU B 608 -1.556 133.936 -2.279 1.00 22.57 C +ATOM 6828 CD2 LEU B 608 -2.349 134.774 -0.062 1.00 22.45 C +ATOM 6829 H LEU B 608 1.531 134.364 0.403 1.00 21.10 H +ATOM 6830 HA LEU B 608 -0.860 133.687 1.816 1.00 21.52 H +ATOM 6831 HB3 LEU B 608 -1.311 132.221 -0.209 1.00 21.44 H +ATOM 6832 HB2 LEU B 608 0.242 132.627 -0.804 1.00 21.44 H +ATOM 6833 HG LEU B 608 -0.387 135.047 -0.875 1.00 22.44 H +ATOM 6834 HD11 LEU B 608 -1.971 134.823 -2.756 1.00 22.57 H +ATOM 6835 HD12 LEU B 608 -0.682 133.599 -2.837 1.00 22.57 H +ATOM 6836 HD13 LEU B 608 -2.306 133.145 -2.268 1.00 22.57 H +ATOM 6837 HD21 LEU B 608 -2.755 135.663 -0.544 1.00 22.45 H +ATOM 6838 HD22 LEU B 608 -3.114 133.999 -0.027 1.00 22.45 H +ATOM 6839 HD23 LEU B 608 -2.037 135.021 0.953 1.00 22.45 H +ATOM 6840 N HIS B 609 1.387 131.280 1.607 1.00 21.19 N +ATOM 6841 CA HIS B 609 1.728 129.976 2.172 1.00 20.94 C +ATOM 6842 C HIS B 609 1.925 130.064 3.684 1.00 20.81 C +ATOM 6843 O HIS B 609 1.664 129.098 4.409 1.00 20.34 O +ATOM 6844 CB HIS B 609 2.994 129.412 1.518 1.00 20.48 C +ATOM 6845 CG HIS B 609 3.363 128.047 2.008 1.00 20.24 C +ATOM 6846 ND1 HIS B 609 2.451 127.016 2.092 1.00 19.83 N1+ +ATOM 6847 CD2 HIS B 609 4.549 127.534 2.414 1.00 20.41 C +ATOM 6848 CE1 HIS B 609 3.059 125.925 2.526 1.00 20.04 C +ATOM 6849 NE2 HIS B 609 4.333 126.212 2.728 1.00 20.82 N +ATOM 6850 H HIS B 609 2.052 131.755 1.014 1.00 21.19 H +ATOM 6851 HA HIS B 609 0.905 129.290 1.972 1.00 20.94 H +ATOM 6852 HB3 HIS B 609 3.825 130.096 1.692 1.00 20.48 H +ATOM 6853 HB2 HIS B 609 2.861 129.385 0.437 1.00 20.48 H +ATOM 6854 HD1 HIS B 609 1.486 127.173 1.837 1.00 19.83 H +ATOM 6855 HD2 HIS B 609 5.428 128.161 2.440 1.00 20.41 H +ATOM 6856 HE1 HIS B 609 2.500 125.010 2.655 1.00 20.04 H +ATOM 6857 HE2 HIS B 609 5.098 125.638 3.052 1.00 20.82 H +ATOM 6858 N SER B 610 2.392 131.216 4.158 1.00 20.55 N +ATOM 6859 CA SER B 610 2.594 131.416 5.589 1.00 20.79 C +ATOM 6860 C SER B 610 1.221 131.452 6.273 1.00 21.00 C +ATOM 6861 O SER B 610 1.017 130.826 7.315 1.00 20.35 O +ATOM 6862 CB SER B 610 3.343 132.730 5.854 1.00 20.59 C +ATOM 6863 OG SER B 610 4.686 132.670 5.390 1.00 21.35 O +ATOM 6864 H SER B 610 2.613 131.970 3.523 1.00 20.55 H +ATOM 6865 HA SER B 610 3.174 130.585 5.990 1.00 20.79 H +ATOM 6866 HB3 SER B 610 3.338 132.941 6.923 1.00 20.59 H +ATOM 6867 HB2 SER B 610 2.824 133.550 5.358 1.00 20.59 H +ATOM 6868 HG SER B 610 4.707 132.840 4.445 1.00 21.35 H +ATOM 6869 N LEU B 611 0.286 132.188 5.676 1.00 20.92 N +ATOM 6870 CA LEU B 611 -1.072 132.294 6.209 1.00 21.13 C +ATOM 6871 C LEU B 611 -1.723 130.920 6.172 1.00 21.12 C +ATOM 6872 O LEU B 611 -2.403 130.504 7.117 1.00 20.52 O +ATOM 6873 CB LEU B 611 -1.890 133.278 5.369 1.00 20.99 C +ATOM 6874 CG LEU B 611 -1.429 134.734 5.501 1.00 21.95 C +ATOM 6875 CD1 LEU B 611 -2.078 135.593 4.410 1.00 21.55 C +ATOM 6876 CD2 LEU B 611 -1.789 135.252 6.889 1.00 20.32 C +ATOM 6877 H LEU B 611 0.505 132.692 4.829 1.00 20.92 H +ATOM 6878 HA LEU B 611 -1.029 132.646 7.240 1.00 21.13 H +ATOM 6879 HB3 LEU B 611 -2.941 133.205 5.649 1.00 20.99 H +ATOM 6880 HB2 LEU B 611 -1.850 132.980 4.322 1.00 20.99 H +ATOM 6881 HG LEU B 611 -0.346 134.773 5.381 1.00 21.95 H +ATOM 6882 HD11 LEU B 611 -1.744 136.626 4.513 1.00 21.55 H +ATOM 6883 HD12 LEU B 611 -1.790 135.215 3.429 1.00 21.55 H +ATOM 6884 HD13 LEU B 611 -3.162 135.551 4.511 1.00 21.55 H +ATOM 6885 HD21 LEU B 611 -1.463 136.287 6.987 1.00 20.32 H +ATOM 6886 HD22 LEU B 611 -2.869 135.196 7.029 1.00 20.32 H +ATOM 6887 HD23 LEU B 611 -1.293 134.642 7.644 1.00 20.32 H +ATOM 6888 N GLU B 612 -1.510 130.217 5.066 1.00 21.16 N +ATOM 6889 CA GLU B 612 -2.053 128.878 4.906 1.00 21.94 C +ATOM 6890 C GLU B 612 -1.542 127.960 6.026 1.00 22.16 C +ATOM 6891 O GLU B 612 -2.322 127.233 6.655 1.00 22.58 O +ATOM 6892 CB GLU B 612 -1.652 128.324 3.536 1.00 22.98 C +ATOM 6893 CG GLU B 612 -1.787 126.830 3.409 1.00 23.84 C +ATOM 6894 CD GLU B 612 -1.180 126.305 2.122 1.00 24.43 C +ATOM 6895 OE1 GLU B 612 -0.087 126.771 1.734 1.00 23.26 O +ATOM 6896 OE2 GLU B 612 -1.793 125.412 1.510 1.00 25.62 O1- +ATOM 6897 H GLU B 612 -0.962 130.611 4.315 1.00 21.16 H +ATOM 6898 HA GLU B 612 -3.140 128.929 4.961 1.00 21.94 H +ATOM 6899 HB3 GLU B 612 -0.625 128.614 3.316 1.00 22.98 H +ATOM 6900 HB2 GLU B 612 -2.248 128.808 2.763 1.00 22.98 H +ATOM 6901 HG3 GLU B 612 -2.841 126.557 3.450 1.00 23.84 H +ATOM 6902 HG2 GLU B 612 -1.305 126.349 4.260 1.00 23.84 H +ATOM 6903 N LEU B 613 -0.237 127.997 6.286 1.00 21.46 N +ATOM 6904 CA LEU B 613 0.338 127.160 7.335 1.00 21.51 C +ATOM 6905 C LEU B 613 -0.248 127.533 8.698 1.00 22.30 C +ATOM 6906 O LEU B 613 -0.454 126.666 9.552 1.00 20.48 O +ATOM 6907 CB LEU B 613 1.862 127.316 7.368 1.00 21.57 C +ATOM 6908 CG LEU B 613 2.651 126.730 6.190 1.00 21.61 C +ATOM 6909 CD1 LEU B 613 4.096 127.182 6.281 1.00 21.59 C +ATOM 6910 CD2 LEU B 613 2.570 125.208 6.205 1.00 21.42 C +ATOM 6911 H LEU B 613 0.366 128.609 5.755 1.00 21.46 H +ATOM 6912 HA LEU B 613 0.097 126.118 7.123 1.00 21.51 H +ATOM 6913 HB3 LEU B 613 2.244 126.898 8.299 1.00 21.57 H +ATOM 6914 HB2 LEU B 613 2.112 128.372 7.477 1.00 21.57 H +ATOM 6915 HG LEU B 613 2.222 127.099 5.258 1.00 21.61 H +ATOM 6916 HD11 LEU B 613 4.660 126.768 5.445 1.00 21.59 H +ATOM 6917 HD12 LEU B 613 4.140 128.271 6.243 1.00 21.59 H +ATOM 6918 HD13 LEU B 613 4.528 126.833 7.218 1.00 21.59 H +ATOM 6919 HD21 LEU B 613 3.134 124.806 5.363 1.00 21.42 H +ATOM 6920 HD22 LEU B 613 2.990 124.830 7.137 1.00 21.42 H +ATOM 6921 HD23 LEU B 613 1.528 124.898 6.124 1.00 21.42 H +ATOM 6922 N LEU B 614 -0.504 128.826 8.887 1.00 22.47 N +ATOM 6923 CA LEU B 614 -1.059 129.346 10.129 1.00 24.30 C +ATOM 6924 C LEU B 614 -2.569 129.160 10.190 1.00 25.93 C +ATOM 6925 O LEU B 614 -3.210 129.546 11.162 1.00 26.13 O +ATOM 6926 CB LEU B 614 -0.714 130.832 10.275 1.00 23.23 C +ATOM 6927 CG LEU B 614 0.776 131.117 10.475 1.00 23.40 C +ATOM 6928 CD1 LEU B 614 1.069 132.592 10.274 1.00 22.86 C +ATOM 6929 CD2 LEU B 614 1.180 130.661 11.870 1.00 23.54 C +ATOM 6930 H LEU B 614 -0.313 129.491 8.151 1.00 22.47 H +ATOM 6931 HA LEU B 614 -0.611 128.804 10.962 1.00 24.30 H +ATOM 6932 HB3 LEU B 614 -1.277 131.254 11.108 1.00 23.23 H +ATOM 6933 HB2 LEU B 614 -1.071 131.373 9.399 1.00 23.23 H +ATOM 6934 HG LEU B 614 1.343 130.545 9.741 1.00 23.40 H +ATOM 6935 HD11 LEU B 614 2.134 132.775 10.420 1.00 22.86 H +ATOM 6936 HD12 LEU B 614 0.786 132.885 9.263 1.00 22.86 H +ATOM 6937 HD13 LEU B 614 0.498 133.178 10.995 1.00 22.86 H +ATOM 6938 HD21 LEU B 614 2.241 130.859 12.025 1.00 23.54 H +ATOM 6939 HD22 LEU B 614 0.597 131.204 12.614 1.00 23.54 H +ATOM 6940 HD23 LEU B 614 0.992 129.592 11.972 1.00 23.54 H +ATOM 6941 N ASP B 615 -3.128 128.566 9.143 1.00 28.14 N +ATOM 6942 CA ASP B 615 -4.560 128.318 9.065 1.00 30.55 C +ATOM 6943 C ASP B 615 -5.366 129.618 9.194 1.00 31.97 C +ATOM 6944 O ASP B 615 -6.406 129.662 9.855 1.00 32.08 O +ATOM 6945 CB ASP B 615 -4.968 127.311 10.150 1.00 31.37 C +ATOM 6946 CG ASP B 615 -6.310 126.662 9.868 1.00 32.17 C +ATOM 6947 OD1 ASP B 615 -6.611 126.401 8.686 1.00 32.51 O +ATOM 6948 OD2 ASP B 615 -7.061 126.397 10.827 1.00 33.80 O1- +ATOM 6949 H ASP B 615 -2.556 128.269 8.366 1.00 28.14 H +ATOM 6950 HA ASP B 615 -4.777 127.877 8.092 1.00 30.55 H +ATOM 6951 HB3 ASP B 615 -5.005 127.815 11.116 1.00 31.37 H +ATOM 6952 HB2 ASP B 615 -4.203 126.539 10.235 1.00 31.37 H +ATOM 6953 N GLU B 616 -4.867 130.674 8.559 1.00 33.26 N +ATOM 6954 CA GLU B 616 -5.526 131.974 8.569 1.00 34.94 C +ATOM 6955 C GLU B 616 -6.259 132.091 7.246 1.00 36.24 C +ATOM 6956 O GLU B 616 -5.641 132.115 6.184 1.00 36.74 O +ATOM 6957 CB GLU B 616 -4.497 133.100 8.689 1.00 35.04 C +ATOM 6958 CG GLU B 616 -3.692 133.076 9.976 1.00 34.96 C +ATOM 6959 CD GLU B 616 -4.481 133.571 11.175 1.00 36.10 C +ATOM 6960 OE1 GLU B 616 -5.712 133.761 11.048 1.00 36.05 O +ATOM 6961 OE2 GLU B 616 -3.865 133.766 12.248 1.00 35.99 O1- +ATOM 6962 H GLU B 616 -4.001 130.593 8.046 1.00 33.26 H +ATOM 6963 HA GLU B 616 -6.235 132.027 9.395 1.00 34.94 H +ATOM 6964 HB3 GLU B 616 -5.001 134.061 8.596 1.00 35.04 H +ATOM 6965 HB2 GLU B 616 -3.818 133.060 7.837 1.00 35.04 H +ATOM 6966 HG3 GLU B 616 -2.797 133.686 9.854 1.00 34.96 H +ATOM 6967 HG2 GLU B 616 -3.343 132.061 10.166 1.00 34.96 H +ATOM 6968 N PRO B 617 -7.593 132.166 7.290 1.00 37.74 N +ATOM 6969 CA PRO B 617 -8.383 132.274 6.060 1.00 38.22 C +ATOM 6970 C PRO B 617 -8.000 133.463 5.182 1.00 38.61 C +ATOM 6971 O PRO B 617 -7.554 134.502 5.672 1.00 38.80 O +ATOM 6972 CB PRO B 617 -9.817 132.365 6.581 1.00 38.53 C +ATOM 6973 CG PRO B 617 -9.647 133.077 7.895 1.00 38.72 C +ATOM 6974 CD PRO B 617 -8.440 132.368 8.479 1.00 38.26 C +ATOM 6975 HA PRO B 617 -8.272 131.355 5.484 1.00 38.22 H +ATOM 6976 HB3 PRO B 617 -10.198 131.361 6.764 1.00 38.53 H +ATOM 6977 HB2 PRO B 617 -10.405 132.990 5.908 1.00 38.53 H +ATOM 6978 HG3 PRO B 617 -10.516 132.882 8.523 1.00 38.72 H +ATOM 6979 HG2 PRO B 617 -9.394 134.120 7.707 1.00 38.72 H +ATOM 6980 HD2 PRO B 617 -7.931 133.039 9.172 1.00 38.26 H +ATOM 6981 HD3 PRO B 617 -8.748 131.398 8.869 1.00 38.26 H +ATOM 6982 N ILE B 618 -8.170 133.289 3.877 1.00 38.72 N +ATOM 6983 CA ILE B 618 -7.866 134.332 2.911 1.00 39.26 C +ATOM 6984 C ILE B 618 -9.183 134.923 2.415 1.00 39.08 C +ATOM 6985 O ILE B 618 -9.991 134.229 1.797 1.00 39.26 O +ATOM 6986 CB ILE B 618 -7.074 133.758 1.712 1.00 40.10 C +ATOM 6987 CG1 ILE B 618 -5.734 133.193 2.205 1.00 40.62 C +ATOM 6988 CG2 ILE B 618 -6.847 134.844 0.663 1.00 39.60 C +ATOM 6989 CD1 ILE B 618 -4.963 132.424 1.159 1.00 42.20 C +ATOM 6990 H ILE B 618 -8.521 132.409 3.527 1.00 38.72 H +ATOM 6991 HA ILE B 618 -7.277 135.112 3.394 1.00 39.26 H +ATOM 6992 HB ILE B 618 -7.652 132.950 1.263 1.00 40.10 H +ATOM 6993 HG13 ILE B 618 -5.908 132.553 3.069 1.00 40.62 H +ATOM 6994 HG12 ILE B 618 -5.116 134.008 2.583 1.00 40.62 H +ATOM 6995 HG21 ILE B 618 -6.289 134.428 -0.176 1.00 39.60 H +ATOM 6996 HG22 ILE B 618 -7.809 135.215 0.310 1.00 39.60 H +ATOM 6997 HG23 ILE B 618 -6.281 135.664 1.105 1.00 39.60 H +ATOM 6998 HD11 ILE B 618 -4.030 132.060 1.590 1.00 42.20 H +ATOM 6999 HD12 ILE B 618 -5.559 131.578 0.817 1.00 42.20 H +ATOM 7000 HD13 ILE B 618 -4.743 133.078 0.315 1.00 42.20 H +ATOM 7001 N PRO B 619 -9.425 136.210 2.704 1.00 38.70 N +ATOM 7002 CA PRO B 619 -10.654 136.884 2.275 1.00 39.00 C +ATOM 7003 C PRO B 619 -10.834 136.762 0.762 1.00 39.13 C +ATOM 7004 O PRO B 619 -9.868 136.871 0.010 1.00 39.09 O +ATOM 7005 CB PRO B 619 -10.421 138.327 2.708 1.00 39.02 C +ATOM 7006 CG PRO B 619 -9.561 138.180 3.916 1.00 39.00 C +ATOM 7007 CD PRO B 619 -8.582 137.111 3.504 1.00 38.48 C +ATOM 7008 HA PRO B 619 -11.517 136.467 2.794 1.00 39.00 H +ATOM 7009 HB3 PRO B 619 -11.372 138.774 2.997 1.00 39.02 H +ATOM 7010 HB2 PRO B 619 -9.864 138.850 1.931 1.00 39.02 H +ATOM 7011 HG3 PRO B 619 -10.165 137.813 4.745 1.00 39.00 H +ATOM 7012 HG2 PRO B 619 -9.024 139.112 4.090 1.00 39.00 H +ATOM 7013 HD2 PRO B 619 -7.819 137.552 2.862 1.00 38.48 H +ATOM 7014 HD3 PRO B 619 -8.233 136.583 4.391 1.00 38.48 H +ATOM 7015 N GLN B 620 -12.067 136.534 0.322 1.00 39.60 N +ATOM 7016 CA GLN B 620 -12.371 136.394 -1.104 1.00 40.35 C +ATOM 7017 C GLN B 620 -11.878 137.609 -1.905 1.00 39.65 C +ATOM 7018 O GLN B 620 -11.386 137.471 -3.025 1.00 39.48 O +ATOM 7019 CB GLN B 620 -13.882 136.236 -1.295 1.00 42.47 C +ATOM 7020 CG GLN B 620 -14.306 135.425 -2.519 1.00 45.86 C +ATOM 7021 CD GLN B 620 -13.612 135.855 -3.803 1.00 48.08 C +ATOM 7022 OE1 GLN B 620 -12.480 135.440 -4.088 1.00 49.31 O +ATOM 7023 NE2 GLN B 620 -14.287 136.696 -4.586 1.00 49.04 N +ATOM 7024 H GLN B 620 -12.830 136.453 0.979 1.00 39.60 H +ATOM 7025 HA GLN B 620 -11.874 135.500 -1.481 1.00 40.35 H +ATOM 7026 HB3 GLN B 620 -14.345 137.222 -1.338 1.00 42.47 H +ATOM 7027 HB2 GLN B 620 -14.314 135.789 -0.400 1.00 42.47 H +ATOM 7028 HG3 GLN B 620 -15.386 135.503 -2.647 1.00 45.86 H +ATOM 7029 HG2 GLN B 620 -14.110 134.368 -2.338 1.00 45.86 H +ATOM 7030 HE22 GLN B 620 -13.879 137.018 -5.452 1.00 49.04 H +ATOM 7031 HE21 GLN B 620 -15.207 137.012 -4.313 1.00 49.04 H +ATOM 7032 N ILE B 621 -12.015 138.798 -1.324 1.00 38.95 N +ATOM 7033 CA ILE B 621 -11.582 140.032 -1.976 1.00 38.30 C +ATOM 7034 C ILE B 621 -10.074 140.027 -2.194 1.00 37.14 C +ATOM 7035 O ILE B 621 -9.583 140.414 -3.256 1.00 37.05 O +ATOM 7036 CB ILE B 621 -11.956 141.268 -1.126 1.00 38.73 C +ATOM 7037 CG1 ILE B 621 -13.473 141.457 -1.130 1.00 39.95 C +ATOM 7038 CG2 ILE B 621 -11.260 142.505 -1.660 1.00 38.78 C +ATOM 7039 CD1 ILE B 621 -14.071 141.608 -2.518 1.00 41.18 C +ATOM 7040 H ILE B 621 -12.429 138.866 -0.405 1.00 38.95 H +ATOM 7041 HA ILE B 621 -12.076 140.110 -2.945 1.00 38.30 H +ATOM 7042 HB ILE B 621 -11.628 141.098 -0.100 1.00 38.73 H +ATOM 7043 HG13 ILE B 621 -13.730 142.329 -0.528 1.00 39.95 H +ATOM 7044 HG12 ILE B 621 -13.944 140.614 -0.623 1.00 39.95 H +ATOM 7045 HG21 ILE B 621 -11.533 143.367 -1.051 1.00 38.78 H +ATOM 7046 HG22 ILE B 621 -10.180 142.361 -1.621 1.00 38.78 H +ATOM 7047 HG23 ILE B 621 -11.566 142.678 -2.691 1.00 38.78 H +ATOM 7048 HD11 ILE B 621 -15.150 141.738 -2.437 1.00 41.18 H +ATOM 7049 HD12 ILE B 621 -13.637 142.480 -3.008 1.00 41.18 H +ATOM 7050 HD13 ILE B 621 -13.856 140.716 -3.106 1.00 41.18 H +ATOM 7051 N VAL B 622 -9.346 139.595 -1.174 1.00 35.88 N +ATOM 7052 CA VAL B 622 -7.896 139.522 -1.245 1.00 34.83 C +ATOM 7053 C VAL B 622 -7.475 138.468 -2.275 1.00 33.72 C +ATOM 7054 O VAL B 622 -6.560 138.692 -3.072 1.00 32.97 O +ATOM 7055 CB VAL B 622 -7.307 139.173 0.145 1.00 35.05 C +ATOM 7056 CG1 VAL B 622 -5.815 138.908 0.043 1.00 35.21 C +ATOM 7057 CG2 VAL B 622 -7.567 140.318 1.106 1.00 35.77 C +ATOM 7058 H VAL B 622 -9.798 139.305 -0.318 1.00 35.88 H +ATOM 7059 HA VAL B 622 -7.510 140.492 -1.557 1.00 34.83 H +ATOM 7060 HB VAL B 622 -7.800 138.277 0.522 1.00 35.05 H +ATOM 7061 HG11 VAL B 622 -5.421 138.665 1.029 1.00 35.21 H +ATOM 7062 HG12 VAL B 622 -5.639 138.072 -0.634 1.00 35.21 H +ATOM 7063 HG13 VAL B 622 -5.313 139.796 -0.340 1.00 35.21 H +ATOM 7064 HG21 VAL B 622 -7.153 140.073 2.084 1.00 35.77 H +ATOM 7065 HG22 VAL B 622 -7.094 141.225 0.729 1.00 35.77 H +ATOM 7066 HG23 VAL B 622 -8.641 140.480 1.198 1.00 35.77 H +ATOM 7067 N ALA B 623 -8.160 137.329 -2.265 1.00 32.45 N +ATOM 7068 CA ALA B 623 -7.848 136.250 -3.190 1.00 32.51 C +ATOM 7069 C ALA B 623 -7.996 136.695 -4.640 1.00 32.43 C +ATOM 7070 O ALA B 623 -7.112 136.460 -5.464 1.00 31.69 O +ATOM 7071 CB ALA B 623 -8.745 135.058 -2.923 1.00 32.85 C +ATOM 7072 H ALA B 623 -8.914 137.199 -1.605 1.00 32.45 H +ATOM 7073 HA ALA B 623 -6.814 135.945 -3.028 1.00 32.51 H +ATOM 7074 HB1 ALA B 623 -8.503 134.257 -3.622 1.00 32.85 H +ATOM 7075 HB2 ALA B 623 -8.591 134.708 -1.902 1.00 32.85 H +ATOM 7076 HB3 ALA B 623 -9.787 135.350 -3.053 1.00 32.85 H +ATOM 7077 N THR B 624 -9.119 137.335 -4.947 1.00 32.04 N +ATOM 7078 CA THR B 624 -9.368 137.808 -6.300 1.00 32.14 C +ATOM 7079 C THR B 624 -8.364 138.888 -6.703 1.00 31.18 C +ATOM 7080 O THR B 624 -7.932 138.937 -7.854 1.00 31.35 O +ATOM 7081 CB THR B 624 -10.811 138.340 -6.446 1.00 32.86 C +ATOM 7082 OG1 THR B 624 -11.080 139.286 -5.408 1.00 35.12 O +ATOM 7083 CG2 THR B 624 -11.808 137.197 -6.337 1.00 32.84 C +ATOM 7084 H THR B 624 -9.817 137.500 -4.235 1.00 32.04 H +ATOM 7085 HA THR B 624 -9.249 136.964 -6.980 1.00 32.14 H +ATOM 7086 HB THR B 624 -10.921 138.826 -7.415 1.00 32.86 H +ATOM 7087 HG1 THR B 624 -11.434 138.829 -4.641 1.00 35.12 H +ATOM 7088 HG21 THR B 624 -12.821 137.586 -6.442 1.00 32.84 H +ATOM 7089 HG22 THR B 624 -11.615 136.470 -7.127 1.00 32.84 H +ATOM 7090 HG23 THR B 624 -11.703 136.713 -5.366 1.00 32.84 H +ATOM 7091 N ASP B 625 -7.982 139.745 -5.760 1.00 30.19 N +ATOM 7092 CA ASP B 625 -7.004 140.786 -6.059 1.00 29.41 C +ATOM 7093 C ASP B 625 -5.649 140.149 -6.387 1.00 29.03 C +ATOM 7094 O ASP B 625 -4.955 140.588 -7.303 1.00 28.44 O +ATOM 7095 CB ASP B 625 -6.861 141.745 -4.874 1.00 29.95 C +ATOM 7096 CG ASP B 625 -8.032 142.722 -4.763 1.00 31.52 C +ATOM 7097 OD1 ASP B 625 -8.127 143.423 -3.738 1.00 31.94 O +ATOM 7098 OD2 ASP B 625 -8.852 142.800 -5.702 1.00 31.84 O1- +ATOM 7099 H ASP B 625 -8.369 139.678 -4.830 1.00 30.19 H +ATOM 7100 HA ASP B 625 -7.346 141.349 -6.927 1.00 29.41 H +ATOM 7101 HB3 ASP B 625 -5.930 142.304 -4.971 1.00 29.95 H +ATOM 7102 HB2 ASP B 625 -6.779 141.171 -3.951 1.00 29.95 H +ATOM 7103 N VAL B 626 -5.274 139.115 -5.638 1.00 28.25 N +ATOM 7104 CA VAL B 626 -4.012 138.433 -5.888 1.00 27.63 C +ATOM 7105 C VAL B 626 -4.069 137.820 -7.282 1.00 27.70 C +ATOM 7106 O VAL B 626 -3.130 137.955 -8.067 1.00 27.75 O +ATOM 7107 CB VAL B 626 -3.745 137.326 -4.843 1.00 27.15 C +ATOM 7108 CG1 VAL B 626 -2.511 136.517 -5.236 1.00 25.88 C +ATOM 7109 CG2 VAL B 626 -3.541 137.952 -3.473 1.00 26.19 C +ATOM 7110 H VAL B 626 -5.867 138.795 -4.886 1.00 28.25 H +ATOM 7111 HA VAL B 626 -3.201 139.160 -5.851 1.00 27.63 H +ATOM 7112 HB VAL B 626 -4.607 136.661 -4.803 1.00 27.15 H +ATOM 7113 HG11 VAL B 626 -2.333 135.740 -4.492 1.00 25.88 H +ATOM 7114 HG12 VAL B 626 -2.674 136.056 -6.210 1.00 25.88 H +ATOM 7115 HG13 VAL B 626 -1.644 137.176 -5.286 1.00 25.88 H +ATOM 7116 HG21 VAL B 626 -3.353 137.169 -2.739 1.00 26.19 H +ATOM 7117 HG22 VAL B 626 -2.688 138.630 -3.507 1.00 26.19 H +ATOM 7118 HG23 VAL B 626 -4.435 138.508 -3.190 1.00 26.19 H +ATOM 7119 N CYS B 627 -5.175 137.150 -7.588 1.00 27.54 N +ATOM 7120 CA CYS B 627 -5.346 136.549 -8.904 1.00 28.28 C +ATOM 7121 C CYS B 627 -5.155 137.601 -10.005 1.00 28.59 C +ATOM 7122 O CYS B 627 -4.408 137.383 -10.964 1.00 28.53 O +ATOM 7123 CB CYS B 627 -6.740 135.937 -9.033 1.00 28.80 C +ATOM 7124 SG CYS B 627 -6.995 134.387 -8.154 1.00 28.83 S +ATOM 7125 H CYS B 627 -5.912 137.053 -6.905 1.00 27.54 H +ATOM 7126 HA CYS B 627 -4.602 135.763 -9.033 1.00 28.28 H +ATOM 7127 HB3 CYS B 627 -6.974 135.795 -10.088 1.00 28.80 H +ATOM 7128 HB2 CYS B 627 -7.484 136.663 -8.706 1.00 28.80 H +ATOM 7129 HG CYS B 627 -7.126 134.632 -6.847 1.00 28.83 H +ATOM 7130 N GLN B 628 -5.834 138.739 -9.865 1.00 28.31 N +ATOM 7131 CA GLN B 628 -5.732 139.807 -10.859 1.00 28.51 C +ATOM 7132 C GLN B 628 -4.291 140.289 -11.011 1.00 27.28 C +ATOM 7133 O GLN B 628 -3.808 140.489 -12.128 1.00 26.83 O +ATOM 7134 CB GLN B 628 -6.646 140.983 -10.485 1.00 29.80 C +ATOM 7135 CG GLN B 628 -8.128 140.647 -10.595 1.00 33.64 C +ATOM 7136 CD GLN B 628 -9.050 141.790 -10.170 1.00 35.90 C +ATOM 7137 OE1 GLN B 628 -8.472 142.946 -9.842 1.00 37.74 O +ATOM 7138 NE2 GLN B 628 -10.270 141.627 -10.141 1.00 36.65 N +ATOM 7139 H GLN B 628 -6.432 138.875 -9.062 1.00 28.31 H +ATOM 7140 HA GLN B 628 -6.062 139.411 -11.820 1.00 28.51 H +ATOM 7141 HB3 GLN B 628 -6.420 141.836 -11.126 1.00 29.80 H +ATOM 7142 HB2 GLN B 628 -6.422 141.307 -9.469 1.00 29.80 H +ATOM 7143 HG3 GLN B 628 -8.344 139.765 -9.993 1.00 33.64 H +ATOM 7144 HG2 GLN B 628 -8.358 140.359 -11.620 1.00 33.64 H +ATOM 7145 HE22 GLN B 628 -10.874 142.385 -9.859 1.00 36.65 H +ATOM 7146 HE21 GLN B 628 -10.667 140.734 -10.399 1.00 36.65 H +ATOM 7147 N PHE B 629 -3.602 140.472 -9.891 1.00 26.17 N +ATOM 7148 CA PHE B 629 -2.218 140.919 -9.948 1.00 25.97 C +ATOM 7149 C PHE B 629 -1.314 139.906 -10.651 1.00 25.73 C +ATOM 7150 O PHE B 629 -0.495 140.281 -11.487 1.00 25.24 O +ATOM 7151 CB PHE B 629 -1.666 141.186 -8.553 1.00 25.02 C +ATOM 7152 CG PHE B 629 -0.193 141.491 -8.548 1.00 25.77 C +ATOM 7153 CD1 PHE B 629 0.291 142.655 -9.140 1.00 24.76 C +ATOM 7154 CD2 PHE B 629 0.713 140.601 -7.978 1.00 25.04 C +ATOM 7155 CE1 PHE B 629 1.654 142.927 -9.164 1.00 25.20 C +ATOM 7156 CE2 PHE B 629 2.082 140.864 -7.996 1.00 25.13 C +ATOM 7157 CZ PHE B 629 2.553 142.028 -8.590 1.00 24.98 C +ATOM 7158 H PHE B 629 -4.038 140.301 -8.996 1.00 26.17 H +ATOM 7159 HA PHE B 629 -2.185 141.852 -10.511 1.00 25.97 H +ATOM 7160 HB3 PHE B 629 -1.859 140.324 -7.916 1.00 25.02 H +ATOM 7161 HB2 PHE B 629 -2.209 142.017 -8.102 1.00 25.02 H +ATOM 7162 HD1 PHE B 629 -0.395 143.359 -9.588 1.00 24.76 H +ATOM 7163 HD2 PHE B 629 0.358 139.693 -7.514 1.00 25.04 H +ATOM 7164 HE1 PHE B 629 2.016 143.833 -9.627 1.00 25.20 H +ATOM 7165 HE2 PHE B 629 2.772 140.164 -7.549 1.00 25.13 H +ATOM 7166 HZ PHE B 629 3.612 142.238 -8.608 1.00 24.98 H +ATOM 7167 N LEU B 630 -1.457 138.628 -10.309 1.00 26.02 N +ATOM 7168 CA LEU B 630 -0.632 137.596 -10.930 1.00 26.31 C +ATOM 7169 C LEU B 630 -0.946 137.490 -12.417 1.00 26.57 C +ATOM 7170 O LEU B 630 -0.097 137.097 -13.214 1.00 26.78 O +ATOM 7171 CB LEU B 630 -0.831 136.243 -10.233 1.00 25.36 C +ATOM 7172 CG LEU B 630 -0.361 136.188 -8.771 1.00 25.82 C +ATOM 7173 CD1 LEU B 630 -0.569 134.795 -8.203 1.00 25.59 C +ATOM 7174 CD2 LEU B 630 1.110 136.572 -8.685 1.00 25.24 C +ATOM 7175 H LEU B 630 -2.141 138.364 -9.614 1.00 26.02 H +ATOM 7176 HA LEU B 630 0.414 137.885 -10.822 1.00 26.31 H +ATOM 7177 HB3 LEU B 630 -0.323 135.465 -10.805 1.00 25.36 H +ATOM 7178 HB2 LEU B 630 -1.883 135.962 -10.285 1.00 25.36 H +ATOM 7179 HG LEU B 630 -0.946 136.898 -8.187 1.00 25.82 H +ATOM 7180 HD11 LEU B 630 -0.232 134.770 -7.167 1.00 25.59 H +ATOM 7181 HD12 LEU B 630 -1.628 134.538 -8.246 1.00 25.59 H +ATOM 7182 HD13 LEU B 630 0.003 134.074 -8.788 1.00 25.59 H +ATOM 7183 HD21 LEU B 630 1.436 136.531 -7.646 1.00 25.24 H +ATOM 7184 HD22 LEU B 630 1.703 135.877 -9.279 1.00 25.24 H +ATOM 7185 HD23 LEU B 630 1.245 137.584 -9.068 1.00 25.24 H +ATOM 7186 N GLU B 631 -2.166 137.857 -12.792 1.00 27.30 N +ATOM 7187 CA GLU B 631 -2.555 137.822 -14.196 1.00 28.02 C +ATOM 7188 C GLU B 631 -1.753 138.898 -14.927 1.00 27.51 C +ATOM 7189 O GLU B 631 -1.266 138.683 -16.041 1.00 26.72 O +ATOM 7190 CB GLU B 631 -4.056 138.088 -14.334 1.00 30.30 C +ATOM 7191 CG GLU B 631 -4.559 138.114 -15.767 1.00 33.94 C +ATOM 7192 CD GLU B 631 -6.071 137.978 -15.859 1.00 36.95 C +ATOM 7193 OE1 GLU B 631 -6.779 138.682 -15.107 1.00 38.77 O +ATOM 7194 OE2 GLU B 631 -6.554 137.172 -16.688 1.00 39.04 O1- +ATOM 7195 H GLU B 631 -2.836 138.165 -12.102 1.00 27.30 H +ATOM 7196 HA GLU B 631 -2.318 136.844 -14.615 1.00 28.02 H +ATOM 7197 HB3 GLU B 631 -4.302 139.031 -13.848 1.00 30.30 H +ATOM 7198 HB2 GLU B 631 -4.609 137.336 -13.771 1.00 30.30 H +ATOM 7199 HG3 GLU B 631 -4.088 137.309 -16.332 1.00 33.94 H +ATOM 7200 HG2 GLU B 631 -4.249 139.045 -16.243 1.00 33.94 H +ATOM 7201 N LEU B 632 -1.606 140.051 -14.278 1.00 26.28 N +ATOM 7202 CA LEU B 632 -0.861 141.163 -14.847 1.00 25.66 C +ATOM 7203 C LEU B 632 0.624 140.840 -14.954 1.00 25.46 C +ATOM 7204 O LEU B 632 1.342 141.442 -15.757 1.00 25.25 O +ATOM 7205 CB LEU B 632 -1.042 142.420 -13.992 1.00 25.27 C +ATOM 7206 CG LEU B 632 -2.452 143.007 -13.898 1.00 26.10 C +ATOM 7207 CD1 LEU B 632 -2.435 144.223 -12.975 1.00 25.86 C +ATOM 7208 CD2 LEU B 632 -2.945 143.396 -15.290 1.00 25.97 C +ATOM 7209 H LEU B 632 -2.018 140.171 -13.364 1.00 26.28 H +ATOM 7210 HA LEU B 632 -1.246 141.364 -15.847 1.00 25.66 H +ATOM 7211 HB3 LEU B 632 -0.355 143.192 -14.339 1.00 25.27 H +ATOM 7212 HB2 LEU B 632 -0.668 142.226 -12.987 1.00 25.27 H +ATOM 7213 HG LEU B 632 -3.122 142.255 -13.482 1.00 26.10 H +ATOM 7214 HD11 LEU B 632 -3.439 144.642 -12.908 1.00 25.86 H +ATOM 7215 HD12 LEU B 632 -2.100 143.922 -11.983 1.00 25.86 H +ATOM 7216 HD13 LEU B 632 -1.754 144.974 -13.376 1.00 25.86 H +ATOM 7217 HD21 LEU B 632 -3.949 143.813 -15.216 1.00 25.97 H +ATOM 7218 HD22 LEU B 632 -2.274 144.139 -15.719 1.00 25.97 H +ATOM 7219 HD23 LEU B 632 -2.965 142.513 -15.928 1.00 25.97 H +ATOM 7220 N CYS B 633 1.088 139.903 -14.132 1.00 24.87 N +ATOM 7221 CA CYS B 633 2.494 139.508 -14.152 1.00 24.32 C +ATOM 7222 C CYS B 633 2.752 138.449 -15.221 1.00 24.66 C +ATOM 7223 O CYS B 633 3.901 138.209 -15.595 1.00 24.57 O +ATOM 7224 CB CYS B 633 2.918 138.939 -12.791 1.00 22.90 C +ATOM 7225 SG CYS B 633 2.970 140.096 -11.422 1.00 21.42 S +ATOM 7226 H CYS B 633 0.465 139.450 -13.479 1.00 24.87 H +ATOM 7227 HA CYS B 633 3.103 140.385 -14.372 1.00 24.32 H +ATOM 7228 HB3 CYS B 633 3.890 138.457 -12.891 1.00 22.90 H +ATOM 7229 HB2 CYS B 633 2.266 138.105 -12.532 1.00 22.90 H +ATOM 7230 HG CYS B 633 1.726 140.458 -11.097 1.00 21.42 H +ATOM 7231 N GLN B 634 1.690 137.805 -15.699 1.00 24.68 N +ATOM 7232 CA GLN B 634 1.837 136.757 -16.700 1.00 25.45 C +ATOM 7233 C GLN B 634 2.222 137.309 -18.066 1.00 26.34 C +ATOM 7234 O GLN B 634 1.614 138.252 -18.566 1.00 26.17 O +ATOM 7235 CB GLN B 634 0.552 135.932 -16.805 1.00 24.98 C +ATOM 7236 CG GLN B 634 0.661 134.735 -17.744 1.00 24.40 C +ATOM 7237 CD GLN B 634 -0.484 133.762 -17.570 1.00 25.01 C +ATOM 7238 OE1 GLN B 634 -0.167 132.475 -17.540 1.00 25.72 O +ATOM 7239 NE2 GLN B 634 -1.648 134.165 -17.470 1.00 23.48 N +ATOM 7240 H GLN B 634 0.765 138.041 -15.368 1.00 24.68 H +ATOM 7241 HA GLN B 634 2.635 136.092 -16.372 1.00 25.45 H +ATOM 7242 HB3 GLN B 634 -0.265 136.575 -17.133 1.00 24.98 H +ATOM 7243 HB2 GLN B 634 0.261 135.588 -15.813 1.00 24.98 H +ATOM 7244 HG3 GLN B 634 1.605 134.220 -17.566 1.00 24.40 H +ATOM 7245 HG2 GLN B 634 0.686 135.085 -18.776 1.00 24.40 H +ATOM 7246 HE22 GLN B 634 -2.403 133.505 -17.355 1.00 23.48 H +ATOM 7247 HE21 GLN B 634 -1.844 135.156 -17.505 1.00 23.48 H +ATOM 7248 N SER B 635 3.244 136.707 -18.660 1.00 27.15 N +ATOM 7249 CA SER B 635 3.736 137.131 -19.960 1.00 27.89 C +ATOM 7250 C SER B 635 2.971 136.523 -21.127 1.00 28.45 C +ATOM 7251 O SER B 635 2.514 135.377 -21.064 1.00 28.26 O +ATOM 7252 CB SER B 635 5.216 136.771 -20.099 1.00 28.16 C +ATOM 7253 OG SER B 635 5.688 137.056 -21.405 1.00 29.01 O +ATOM 7254 H SER B 635 3.705 135.930 -18.208 1.00 27.15 H +ATOM 7255 HA SER B 635 3.643 138.215 -20.022 1.00 27.89 H +ATOM 7256 HB3 SER B 635 5.353 135.710 -19.888 1.00 28.16 H +ATOM 7257 HB2 SER B 635 5.797 137.337 -19.371 1.00 28.16 H +ATOM 7258 HG SER B 635 6.074 137.935 -21.421 1.00 29.01 H +ATOM 7259 N PRO B 636 2.805 137.297 -22.212 1.00 28.93 N +ATOM 7260 CA PRO B 636 2.092 136.781 -23.381 1.00 29.18 C +ATOM 7261 C PRO B 636 2.860 135.618 -24.018 1.00 29.19 C +ATOM 7262 O PRO B 636 2.288 134.828 -24.767 1.00 29.65 O +ATOM 7263 CB PRO B 636 1.982 138.008 -24.294 1.00 28.90 C +ATOM 7264 CG PRO B 636 3.130 138.868 -23.875 1.00 29.50 C +ATOM 7265 CD PRO B 636 3.123 138.726 -22.377 1.00 28.92 C +ATOM 7266 HA PRO B 636 1.096 136.448 -23.089 1.00 29.18 H +ATOM 7267 HB3 PRO B 636 1.047 138.528 -24.087 1.00 28.90 H +ATOM 7268 HB2 PRO B 636 2.122 137.699 -25.330 1.00 28.90 H +ATOM 7269 HG3 PRO B 636 2.917 139.904 -24.139 1.00 29.50 H +ATOM 7270 HG2 PRO B 636 4.056 138.450 -24.271 1.00 29.50 H +ATOM 7271 HD2 PRO B 636 4.126 138.916 -21.994 1.00 28.92 H +ATOM 7272 HD3 PRO B 636 2.311 139.323 -21.964 1.00 28.92 H +ATOM 7273 N GLU B 637 4.152 135.505 -23.710 1.00 29.88 N +ATOM 7274 CA GLU B 637 4.960 134.411 -24.252 1.00 29.79 C +ATOM 7275 C GLU B 637 4.879 133.182 -23.342 1.00 28.67 C +ATOM 7276 O GLU B 637 5.424 132.121 -23.659 1.00 28.82 O +ATOM 7277 CB GLU B 637 6.429 134.837 -24.416 1.00 31.70 C +ATOM 7278 CG GLU B 637 7.219 134.978 -23.113 1.00 33.97 C +ATOM 7279 CD GLU B 637 8.707 135.272 -23.344 1.00 35.54 C +ATOM 7280 OE1 GLU B 637 9.401 134.437 -23.965 1.00 36.36 O +ATOM 7281 OE2 GLU B 637 9.188 136.337 -22.900 1.00 36.13 O1- +ATOM 7282 H GLU B 637 4.585 136.180 -23.095 1.00 29.88 H +ATOM 7283 HA GLU B 637 4.566 134.142 -25.232 1.00 29.79 H +ATOM 7284 HB3 GLU B 637 6.472 135.777 -24.966 1.00 31.70 H +ATOM 7285 HB2 GLU B 637 6.938 134.131 -25.072 1.00 31.70 H +ATOM 7286 HG3 GLU B 637 7.117 134.064 -22.528 1.00 33.97 H +ATOM 7287 HG2 GLU B 637 6.782 135.773 -22.509 1.00 33.97 H +ATOM 7288 N GLY B 638 4.192 133.327 -22.214 1.00 27.46 N +ATOM 7289 CA GLY B 638 4.062 132.222 -21.278 1.00 25.74 C +ATOM 7290 C GLY B 638 4.921 132.430 -20.044 1.00 25.07 C +ATOM 7291 O GLY B 638 5.975 133.059 -20.111 1.00 24.26 O +ATOM 7292 H GLY B 638 3.754 134.211 -21.999 1.00 27.46 H +ATOM 7293 HA3 GLY B 638 4.353 131.294 -21.771 1.00 25.74 H +ATOM 7294 HA2 GLY B 638 3.018 132.119 -20.981 1.00 25.74 H +ATOM 7295 N GLY B 639 4.478 131.896 -18.911 1.00 24.49 N +ATOM 7296 CA GLY B 639 5.231 132.059 -17.683 1.00 23.46 C +ATOM 7297 C GLY B 639 4.906 133.393 -17.041 1.00 23.34 C +ATOM 7298 O GLY B 639 4.179 134.204 -17.613 1.00 23.49 O +ATOM 7299 H GLY B 639 3.613 131.374 -18.903 1.00 24.49 H +ATOM 7300 HA3 GLY B 639 6.298 132.012 -17.903 1.00 23.46 H +ATOM 7301 HA2 GLY B 639 4.980 131.253 -16.994 1.00 23.46 H +ATOM 7302 N PHE B 640 5.440 133.623 -15.848 1.00 23.15 N +ATOM 7303 CA PHE B 640 5.201 134.869 -15.131 1.00 22.67 C +ATOM 7304 C PHE B 640 6.507 135.612 -14.893 1.00 22.69 C +ATOM 7305 O PHE B 640 7.562 134.993 -14.735 1.00 22.63 O +ATOM 7306 CB PHE B 640 4.527 134.595 -13.777 1.00 21.90 C +ATOM 7307 CG PHE B 640 3.183 133.924 -13.886 1.00 20.99 C +ATOM 7308 CD1 PHE B 640 3.087 132.576 -14.213 1.00 20.46 C +ATOM 7309 CD2 PHE B 640 2.010 134.650 -13.671 1.00 20.43 C +ATOM 7310 CE1 PHE B 640 1.839 131.953 -14.325 1.00 20.56 C +ATOM 7311 CE2 PHE B 640 0.756 134.039 -13.780 1.00 20.74 C +ATOM 7312 CZ PHE B 640 0.671 132.685 -14.108 1.00 20.37 C +ATOM 7313 H PHE B 640 6.029 132.926 -15.415 1.00 23.15 H +ATOM 7314 HA PHE B 640 4.543 135.498 -15.730 1.00 22.67 H +ATOM 7315 HB3 PHE B 640 4.420 135.532 -13.231 1.00 21.90 H +ATOM 7316 HB2 PHE B 640 5.187 133.984 -13.162 1.00 21.90 H +ATOM 7317 HD1 PHE B 640 3.982 131.996 -14.383 1.00 20.46 H +ATOM 7318 HD2 PHE B 640 2.063 135.698 -13.416 1.00 20.43 H +ATOM 7319 HE1 PHE B 640 1.780 130.905 -14.580 1.00 20.56 H +ATOM 7320 HE2 PHE B 640 -0.142 134.615 -13.611 1.00 20.74 H +ATOM 7321 HZ PHE B 640 -0.292 132.203 -14.194 1.00 20.37 H +ATOM 7322 N GLY B 641 6.425 136.940 -14.867 1.00 22.43 N +ATOM 7323 CA GLY B 641 7.595 137.761 -14.629 1.00 21.45 C +ATOM 7324 C GLY B 641 7.561 138.291 -13.209 1.00 21.84 C +ATOM 7325 O GLY B 641 6.585 138.065 -12.484 1.00 21.34 O +ATOM 7326 H GLY B 641 5.535 137.394 -15.015 1.00 22.43 H +ATOM 7327 HA3 GLY B 641 7.600 138.598 -15.328 1.00 21.45 H +ATOM 7328 HA2 GLY B 641 8.494 137.162 -14.772 1.00 21.45 H +ATOM 7329 N GLY B 642 8.607 139.011 -12.814 1.00 21.33 N +ATOM 7330 CA GLY B 642 8.680 139.544 -11.461 1.00 21.94 C +ATOM 7331 C GLY B 642 7.704 140.660 -11.145 1.00 21.94 C +ATOM 7332 O GLY B 642 7.582 141.077 -9.995 1.00 21.55 O +ATOM 7333 H GLY B 642 9.365 139.195 -13.456 1.00 21.33 H +ATOM 7334 HA3 GLY B 642 9.695 139.888 -11.263 1.00 21.94 H +ATOM 7335 HA2 GLY B 642 8.543 138.733 -10.746 1.00 21.94 H +ATOM 7336 N GLY B 643 7.008 141.142 -12.168 1.00 22.74 N +ATOM 7337 CA GLY B 643 6.041 142.208 -11.983 1.00 22.59 C +ATOM 7338 C GLY B 643 5.370 142.485 -13.314 1.00 23.70 C +ATOM 7339 O GLY B 643 5.774 141.911 -14.326 1.00 23.53 O +ATOM 7340 H GLY B 643 7.147 140.766 -13.095 1.00 22.74 H +ATOM 7341 HA3 GLY B 643 6.553 143.107 -11.641 1.00 22.59 H +ATOM 7342 HA2 GLY B 643 5.291 141.896 -11.257 1.00 22.59 H +ATOM 7343 N PRO B 644 4.348 143.353 -13.358 1.00 23.85 N +ATOM 7344 CA PRO B 644 3.682 143.636 -14.630 1.00 24.38 C +ATOM 7345 C PRO B 644 4.641 144.166 -15.690 1.00 24.70 C +ATOM 7346 O PRO B 644 5.388 145.111 -15.446 1.00 24.16 O +ATOM 7347 CB PRO B 644 2.622 144.667 -14.239 1.00 23.99 C +ATOM 7348 CG PRO B 644 2.301 144.286 -12.824 1.00 24.28 C +ATOM 7349 CD PRO B 644 3.680 144.061 -12.253 1.00 23.65 C +ATOM 7350 HA PRO B 644 3.195 142.733 -14.997 1.00 24.38 H +ATOM 7351 HB3 PRO B 644 1.737 144.524 -14.859 1.00 23.99 H +ATOM 7352 HB2 PRO B 644 3.067 145.662 -14.251 1.00 23.99 H +ATOM 7353 HG3 PRO B 644 1.755 143.343 -12.822 1.00 24.28 H +ATOM 7354 HG2 PRO B 644 1.840 145.136 -12.320 1.00 24.28 H +ATOM 7355 HD2 PRO B 644 4.166 145.024 -12.100 1.00 23.65 H +ATOM 7356 HD3 PRO B 644 3.607 143.395 -11.393 1.00 23.65 H +ATOM 7357 N GLY B 645 4.625 143.543 -16.864 1.00 25.13 N +ATOM 7358 CA GLY B 645 5.488 143.992 -17.943 1.00 25.64 C +ATOM 7359 C GLY B 645 6.897 143.426 -17.965 1.00 25.90 C +ATOM 7360 O GLY B 645 7.635 143.633 -18.930 1.00 26.44 O +ATOM 7361 H GLY B 645 4.011 142.754 -17.008 1.00 25.13 H +ATOM 7362 HA3 GLY B 645 5.539 145.081 -17.933 1.00 25.64 H +ATOM 7363 HA2 GLY B 645 5.004 143.787 -18.898 1.00 25.64 H +ATOM 7364 N GLN B 646 7.290 142.723 -16.910 1.00 25.27 N +ATOM 7365 CA GLN B 646 8.627 142.138 -16.871 1.00 24.78 C +ATOM 7366 C GLN B 646 8.655 140.832 -17.672 1.00 24.87 C +ATOM 7367 O GLN B 646 7.622 140.184 -17.856 1.00 24.26 O +ATOM 7368 CB GLN B 646 9.050 141.872 -15.422 1.00 24.20 C +ATOM 7369 CG GLN B 646 9.307 143.129 -14.599 1.00 23.41 C +ATOM 7370 CD GLN B 646 9.635 142.824 -13.145 1.00 23.45 C +ATOM 7371 OE1 GLN B 646 10.402 141.905 -12.847 1.00 22.94 O +ATOM 7372 NE2 GLN B 646 9.065 143.604 -12.232 1.00 22.06 N +ATOM 7373 H GLN B 646 6.663 142.591 -16.129 1.00 25.27 H +ATOM 7374 HA GLN B 646 9.330 142.840 -17.320 1.00 24.78 H +ATOM 7375 HB3 GLN B 646 9.943 141.248 -15.415 1.00 24.20 H +ATOM 7376 HB2 GLN B 646 8.289 141.267 -14.929 1.00 24.20 H +ATOM 7377 HG3 GLN B 646 8.432 143.777 -14.645 1.00 23.41 H +ATOM 7378 HG2 GLN B 646 10.127 143.693 -15.045 1.00 23.41 H +ATOM 7379 HE22 GLN B 646 9.246 143.448 -11.251 1.00 22.06 H +ATOM 7380 HE21 GLN B 646 8.451 144.352 -12.519 1.00 22.06 H +ATOM 7381 N TYR B 647 9.834 140.462 -18.166 1.00 25.19 N +ATOM 7382 CA TYR B 647 9.986 139.217 -18.921 1.00 25.72 C +ATOM 7383 C TYR B 647 9.705 138.042 -17.985 1.00 24.81 C +ATOM 7384 O TYR B 647 9.931 138.139 -16.776 1.00 24.44 O +ATOM 7385 CB TYR B 647 11.416 139.094 -19.461 1.00 27.01 C +ATOM 7386 CG TYR B 647 11.760 140.085 -20.550 1.00 29.55 C +ATOM 7387 CD1 TYR B 647 13.066 140.544 -20.713 1.00 30.52 C +ATOM 7388 CD2 TYR B 647 10.785 140.546 -21.432 1.00 30.71 C +ATOM 7389 CE1 TYR B 647 13.391 141.439 -21.728 1.00 32.21 C +ATOM 7390 CE2 TYR B 647 11.098 141.436 -22.449 1.00 32.43 C +ATOM 7391 CZ TYR B 647 12.401 141.878 -22.592 1.00 32.76 C +ATOM 7392 OH TYR B 647 12.714 142.751 -23.605 1.00 34.81 O +ATOM 7393 H TYR B 647 10.647 141.044 -18.022 1.00 25.19 H +ATOM 7394 HA TYR B 647 9.279 139.203 -19.751 1.00 25.72 H +ATOM 7395 HB3 TYR B 647 11.577 138.082 -19.831 1.00 27.01 H +ATOM 7396 HB2 TYR B 647 12.123 139.202 -18.639 1.00 27.01 H +ATOM 7397 HD1 TYR B 647 13.844 140.205 -20.045 1.00 30.52 H +ATOM 7398 HD2 TYR B 647 9.763 140.211 -21.331 1.00 30.71 H +ATOM 7399 HE1 TYR B 647 14.408 141.786 -21.837 1.00 32.21 H +ATOM 7400 HE2 TYR B 647 10.327 141.780 -23.122 1.00 32.43 H +ATOM 7401 HH TYR B 647 12.099 142.632 -24.332 1.00 34.81 H +ATOM 7402 N PRO B 648 9.196 136.921 -18.527 1.00 24.08 N +ATOM 7403 CA PRO B 648 8.917 135.765 -17.669 1.00 23.38 C +ATOM 7404 C PRO B 648 10.241 135.202 -17.147 1.00 23.11 C +ATOM 7405 O PRO B 648 11.289 135.392 -17.764 1.00 23.25 O +ATOM 7406 CB PRO B 648 8.191 134.806 -18.609 1.00 23.03 C +ATOM 7407 CG PRO B 648 8.825 135.102 -19.928 1.00 23.20 C +ATOM 7408 CD PRO B 648 8.904 136.616 -19.939 1.00 23.00 C +ATOM 7409 HA PRO B 648 8.270 136.051 -16.840 1.00 23.38 H +ATOM 7410 HB3 PRO B 648 7.135 135.074 -18.650 1.00 23.03 H +ATOM 7411 HB2 PRO B 648 8.420 133.780 -18.322 1.00 23.03 H +ATOM 7412 HG3 PRO B 648 8.162 134.771 -20.728 1.00 23.20 H +ATOM 7413 HG2 PRO B 648 9.834 134.689 -19.943 1.00 23.20 H +ATOM 7414 HD2 PRO B 648 9.748 136.927 -20.555 1.00 23.00 H +ATOM 7415 HD3 PRO B 648 7.928 137.024 -20.200 1.00 23.00 H +ATOM 7416 N HIS B 649 10.187 134.513 -16.015 1.00 22.74 N +ATOM 7417 CA HIS B 649 11.376 133.941 -15.387 1.00 21.67 C +ATOM 7418 C HIS B 649 10.857 132.744 -14.595 1.00 21.61 C +ATOM 7419 O HIS B 649 9.790 132.821 -13.979 1.00 21.13 O +ATOM 7420 CB HIS B 649 11.999 135.001 -14.467 1.00 21.81 C +ATOM 7421 CG HIS B 649 13.300 134.602 -13.841 1.00 21.83 C +ATOM 7422 ND1 HIS B 649 13.409 133.556 -12.950 1.00 21.76 N +ATOM 7423 CD2 HIS B 649 14.531 135.167 -13.909 1.00 21.90 C +ATOM 7424 CE1 HIS B 649 14.647 133.499 -12.490 1.00 21.47 C +ATOM 7425 NE2 HIS B 649 15.348 134.466 -13.055 1.00 21.72 N +ATOM 7426 H HIS B 649 9.300 134.367 -15.554 1.00 22.74 H +ATOM 7427 HA HIS B 649 12.092 133.620 -16.143 1.00 21.67 H +ATOM 7428 HB3 HIS B 649 11.287 135.263 -13.685 1.00 21.81 H +ATOM 7429 HB2 HIS B 649 12.137 135.928 -15.025 1.00 21.81 H +ATOM 7430 HD2 HIS B 649 14.702 136.012 -14.560 1.00 21.90 H +ATOM 7431 HE1 HIS B 649 14.922 132.741 -11.771 1.00 21.47 H +ATOM 7432 HE2 HIS B 649 16.317 134.732 -12.950 1.00 21.72 H +ATOM 7433 N LEU B 650 11.593 131.638 -14.617 1.00 21.52 N +ATOM 7434 CA LEU B 650 11.147 130.431 -13.922 1.00 20.91 C +ATOM 7435 C LEU B 650 10.914 130.571 -12.422 1.00 20.76 C +ATOM 7436 O LEU B 650 10.018 129.931 -11.876 1.00 20.76 O +ATOM 7437 CB LEU B 650 12.116 129.277 -14.192 1.00 20.06 C +ATOM 7438 CG LEU B 650 11.834 128.537 -15.502 1.00 20.33 C +ATOM 7439 CD1 LEU B 650 12.893 127.467 -15.738 1.00 20.42 C +ATOM 7440 CD2 LEU B 650 10.441 127.909 -15.444 1.00 19.89 C +ATOM 7441 H LEU B 650 12.470 131.625 -15.117 1.00 21.52 H +ATOM 7442 HA LEU B 650 10.191 130.149 -14.363 1.00 20.91 H +ATOM 7443 HB3 LEU B 650 12.077 128.570 -13.362 1.00 20.06 H +ATOM 7444 HB2 LEU B 650 13.137 129.657 -14.203 1.00 20.06 H +ATOM 7445 HG LEU B 650 11.865 129.252 -16.324 1.00 20.33 H +ATOM 7446 HD11 LEU B 650 12.683 126.947 -16.672 1.00 20.42 H +ATOM 7447 HD12 LEU B 650 13.876 127.934 -15.795 1.00 20.42 H +ATOM 7448 HD13 LEU B 650 12.879 126.753 -14.914 1.00 20.42 H +ATOM 7449 HD21 LEU B 650 10.240 127.383 -16.377 1.00 19.89 H +ATOM 7450 HD22 LEU B 650 10.393 127.206 -14.613 1.00 19.89 H +ATOM 7451 HD23 LEU B 650 9.695 128.691 -15.301 1.00 19.89 H +ATOM 7452 N ALA B 651 11.701 131.410 -11.755 1.00 20.33 N +ATOM 7453 CA ALA B 651 11.530 131.585 -10.317 1.00 20.18 C +ATOM 7454 C ALA B 651 10.160 132.190 -10.003 1.00 20.08 C +ATOM 7455 O ALA B 651 9.373 131.586 -9.279 1.00 20.75 O +ATOM 7456 CB ALA B 651 12.659 132.447 -9.744 1.00 19.40 C +ATOM 7457 H ALA B 651 12.418 131.927 -12.244 1.00 20.33 H +ATOM 7458 HA ALA B 651 11.582 130.602 -9.847 1.00 20.18 H +ATOM 7459 HB1 ALA B 651 12.516 132.567 -8.670 1.00 19.40 H +ATOM 7460 HB2 ALA B 651 13.617 131.963 -9.930 1.00 19.40 H +ATOM 7461 HB3 ALA B 651 12.648 133.426 -10.223 1.00 19.40 H +ATOM 7462 N PRO B 652 9.856 133.393 -10.526 1.00 20.08 N +ATOM 7463 CA PRO B 652 8.527 133.943 -10.216 1.00 19.94 C +ATOM 7464 C PRO B 652 7.378 133.106 -10.809 1.00 19.77 C +ATOM 7465 O PRO B 652 6.248 133.159 -10.322 1.00 19.79 O +ATOM 7466 CB PRO B 652 8.585 135.372 -10.787 1.00 19.77 C +ATOM 7467 CG PRO B 652 9.667 135.306 -11.834 1.00 20.13 C +ATOM 7468 CD PRO B 652 10.702 134.404 -11.188 1.00 19.71 C +ATOM 7469 HA PRO B 652 8.407 133.996 -9.134 1.00 19.94 H +ATOM 7470 HB3 PRO B 652 8.887 136.063 -9.999 1.00 19.77 H +ATOM 7471 HB2 PRO B 652 7.634 135.608 -11.265 1.00 19.77 H +ATOM 7472 HG3 PRO B 652 10.093 136.300 -11.973 1.00 20.13 H +ATOM 7473 HG2 PRO B 652 9.274 134.820 -12.726 1.00 20.13 H +ATOM 7474 HD2 PRO B 652 11.293 133.922 -11.966 1.00 19.71 H +ATOM 7475 HD3 PRO B 652 11.246 134.968 -10.430 1.00 19.71 H +ATOM 7476 N THR B 653 7.668 132.335 -11.854 1.00 19.84 N +ATOM 7477 CA THR B 653 6.651 131.485 -12.477 1.00 20.01 C +ATOM 7478 C THR B 653 6.275 130.402 -11.467 1.00 19.82 C +ATOM 7479 O THR B 653 5.095 130.110 -11.254 1.00 19.72 O +ATOM 7480 CB THR B 653 7.181 130.819 -13.769 1.00 19.38 C +ATOM 7481 OG1 THR B 653 7.447 131.828 -14.750 1.00 21.01 O +ATOM 7482 CG2 THR B 653 6.164 129.832 -14.324 1.00 20.03 C +ATOM 7483 H THR B 653 8.605 132.328 -12.232 1.00 19.84 H +ATOM 7484 HA THR B 653 5.771 132.085 -12.711 1.00 20.01 H +ATOM 7485 HB THR B 653 8.106 130.289 -13.543 1.00 19.38 H +ATOM 7486 HG1 THR B 653 8.286 132.252 -14.555 1.00 21.01 H +ATOM 7487 HG21 THR B 653 6.558 129.375 -15.232 1.00 20.03 H +ATOM 7488 HG22 THR B 653 5.969 129.056 -13.584 1.00 20.03 H +ATOM 7489 HG23 THR B 653 5.236 130.355 -14.554 1.00 20.03 H +ATOM 7490 N TYR B 654 7.297 129.815 -10.848 1.00 19.20 N +ATOM 7491 CA TYR B 654 7.105 128.791 -9.830 1.00 18.89 C +ATOM 7492 C TYR B 654 6.278 129.368 -8.676 1.00 19.00 C +ATOM 7493 O TYR B 654 5.331 128.739 -8.200 1.00 19.69 O +ATOM 7494 CB TYR B 654 8.467 128.330 -9.300 1.00 18.51 C +ATOM 7495 CG TYR B 654 8.410 127.628 -7.954 1.00 18.31 C +ATOM 7496 CD1 TYR B 654 8.025 126.290 -7.854 1.00 17.90 C +ATOM 7497 CD2 TYR B 654 8.757 128.306 -6.780 1.00 18.33 C +ATOM 7498 CE1 TYR B 654 7.992 125.640 -6.618 1.00 17.90 C +ATOM 7499 CE2 TYR B 654 8.727 127.668 -5.542 1.00 18.23 C +ATOM 7500 CZ TYR B 654 8.345 126.332 -5.466 1.00 18.30 C +ATOM 7501 OH TYR B 654 8.341 125.690 -4.242 1.00 17.16 O +ATOM 7502 H TYR B 654 8.245 130.076 -11.080 1.00 19.20 H +ATOM 7503 HA TYR B 654 6.578 127.942 -10.265 1.00 18.89 H +ATOM 7504 HB3 TYR B 654 9.137 129.186 -9.232 1.00 18.51 H +ATOM 7505 HB2 TYR B 654 8.935 127.671 -10.031 1.00 18.51 H +ATOM 7506 HD1 TYR B 654 7.746 125.740 -8.740 1.00 17.90 H +ATOM 7507 HD2 TYR B 654 9.055 129.343 -6.823 1.00 18.33 H +ATOM 7508 HE1 TYR B 654 7.693 124.604 -6.560 1.00 17.90 H +ATOM 7509 HE2 TYR B 654 8.999 128.210 -4.648 1.00 18.23 H +ATOM 7510 HH TYR B 654 8.073 124.776 -4.361 1.00 17.16 H +ATOM 7511 N ALA B 655 6.645 130.571 -8.239 1.00 18.70 N +ATOM 7512 CA ALA B 655 5.964 131.244 -7.133 1.00 19.85 C +ATOM 7513 C ALA B 655 4.514 131.565 -7.442 1.00 19.74 C +ATOM 7514 O ALA B 655 3.637 131.351 -6.606 1.00 20.66 O +ATOM 7515 CB ALA B 655 6.709 132.541 -6.759 1.00 18.81 C +ATOM 7516 H ALA B 655 7.419 131.051 -8.674 1.00 18.70 H +ATOM 7517 HA ALA B 655 5.986 130.580 -6.269 1.00 19.85 H +ATOM 7518 HB1 ALA B 655 6.192 133.033 -5.935 1.00 18.81 H +ATOM 7519 HB2 ALA B 655 7.728 132.301 -6.456 1.00 18.81 H +ATOM 7520 HB3 ALA B 655 6.734 133.208 -7.621 1.00 18.81 H +ATOM 7521 N ALA B 656 4.269 132.093 -8.636 1.00 19.89 N +ATOM 7522 CA ALA B 656 2.920 132.461 -9.043 1.00 20.28 C +ATOM 7523 C ALA B 656 2.007 131.246 -9.108 1.00 20.21 C +ATOM 7524 O ALA B 656 0.884 131.285 -8.614 1.00 21.29 O +ATOM 7525 CB ALA B 656 2.954 133.170 -10.399 1.00 20.09 C +ATOM 7526 H ALA B 656 5.027 132.248 -9.285 1.00 19.89 H +ATOM 7527 HA ALA B 656 2.517 133.153 -8.304 1.00 20.28 H +ATOM 7528 HB1 ALA B 656 1.940 133.441 -10.694 1.00 20.09 H +ATOM 7529 HB2 ALA B 656 3.562 134.072 -10.324 1.00 20.09 H +ATOM 7530 HB3 ALA B 656 3.384 132.505 -11.148 1.00 20.09 H +ATOM 7531 N VAL B 657 2.489 130.165 -9.713 1.00 20.30 N +ATOM 7532 CA VAL B 657 1.689 128.953 -9.830 1.00 20.29 C +ATOM 7533 C VAL B 657 1.329 128.419 -8.444 1.00 20.79 C +ATOM 7534 O VAL B 657 0.178 128.064 -8.188 1.00 20.68 O +ATOM 7535 CB VAL B 657 2.433 127.870 -10.659 1.00 20.44 C +ATOM 7536 CG1 VAL B 657 1.673 126.548 -10.615 1.00 19.25 C +ATOM 7537 CG2 VAL B 657 2.570 128.339 -12.108 1.00 19.71 C +ATOM 7538 H VAL B 657 3.422 130.177 -10.101 1.00 20.30 H +ATOM 7539 HA VAL B 657 0.764 129.204 -10.350 1.00 20.29 H +ATOM 7540 HB VAL B 657 3.428 127.722 -10.238 1.00 20.44 H +ATOM 7541 HG11 VAL B 657 2.208 125.801 -11.201 1.00 19.25 H +ATOM 7542 HG12 VAL B 657 1.592 126.210 -9.582 1.00 19.25 H +ATOM 7543 HG13 VAL B 657 0.675 126.688 -11.030 1.00 19.25 H +ATOM 7544 HG21 VAL B 657 3.092 127.578 -12.688 1.00 19.71 H +ATOM 7545 HG22 VAL B 657 1.580 128.503 -12.532 1.00 19.71 H +ATOM 7546 HG23 VAL B 657 3.136 129.270 -12.137 1.00 19.71 H +ATOM 7547 N ASN B 658 2.305 128.373 -7.543 1.00 21.09 N +ATOM 7548 CA ASN B 658 2.042 127.907 -6.183 1.00 21.14 C +ATOM 7549 C ASN B 658 1.003 128.801 -5.498 1.00 21.15 C +ATOM 7550 O ASN B 658 0.087 128.313 -4.833 1.00 21.20 O +ATOM 7551 CB ASN B 658 3.333 127.906 -5.362 1.00 20.78 C +ATOM 7552 CG ASN B 658 4.037 126.559 -5.379 1.00 21.38 C +ATOM 7553 OD1 ASN B 658 3.660 125.648 -6.125 1.00 19.94 O +ATOM 7554 ND2 ASN B 658 5.070 126.427 -4.550 1.00 21.09 N +ATOM 7555 H ASN B 658 3.239 128.663 -7.795 1.00 21.09 H +ATOM 7556 HA ASN B 658 1.654 126.889 -6.230 1.00 21.14 H +ATOM 7557 HB3 ASN B 658 3.108 128.184 -4.333 1.00 20.78 H +ATOM 7558 HB2 ASN B 658 4.007 128.671 -5.746 1.00 20.78 H +ATOM 7559 HD22 ASN B 658 5.580 125.557 -4.513 1.00 21.09 H +ATOM 7560 HD21 ASN B 658 5.343 127.199 -3.958 1.00 21.09 H +ATOM 7561 N ALA B 659 1.148 130.114 -5.664 1.00 21.18 N +ATOM 7562 CA ALA B 659 0.222 131.072 -5.059 1.00 21.40 C +ATOM 7563 C ALA B 659 -1.202 130.831 -5.555 1.00 21.63 C +ATOM 7564 O ALA B 659 -2.151 130.797 -4.765 1.00 21.66 O +ATOM 7565 CB ALA B 659 0.656 132.502 -5.388 1.00 20.50 C +ATOM 7566 H ALA B 659 1.912 130.472 -6.220 1.00 21.18 H +ATOM 7567 HA ALA B 659 0.242 130.941 -3.977 1.00 21.40 H +ATOM 7568 HB1 ALA B 659 -0.040 133.207 -4.933 1.00 20.50 H +ATOM 7569 HB2 ALA B 659 1.658 132.678 -4.996 1.00 20.50 H +ATOM 7570 HB3 ALA B 659 0.659 132.643 -6.469 1.00 20.50 H +ATOM 7571 N LEU B 660 -1.344 130.668 -6.868 1.00 21.53 N +ATOM 7572 CA LEU B 660 -2.648 130.429 -7.470 1.00 22.32 C +ATOM 7573 C LEU B 660 -3.230 129.115 -6.956 1.00 22.71 C +ATOM 7574 O LEU B 660 -4.448 128.989 -6.782 1.00 22.86 O +ATOM 7575 CB LEU B 660 -2.529 130.412 -9.002 1.00 21.45 C +ATOM 7576 CG LEU B 660 -2.151 131.769 -9.619 1.00 21.03 C +ATOM 7577 CD1 LEU B 660 -1.901 131.636 -11.119 1.00 20.65 C +ATOM 7578 CD2 LEU B 660 -3.269 132.764 -9.357 1.00 20.43 C +ATOM 7579 H LEU B 660 -0.536 130.708 -7.472 1.00 21.53 H +ATOM 7580 HA LEU B 660 -3.317 131.241 -7.183 1.00 22.32 H +ATOM 7581 HB3 LEU B 660 -3.469 130.068 -9.433 1.00 21.45 H +ATOM 7582 HB2 LEU B 660 -1.795 129.663 -9.298 1.00 21.45 H +ATOM 7583 HG LEU B 660 -1.240 132.131 -9.142 1.00 21.03 H +ATOM 7584 HD11 LEU B 660 -1.635 132.609 -11.532 1.00 20.65 H +ATOM 7585 HD12 LEU B 660 -1.085 130.934 -11.291 1.00 20.65 H +ATOM 7586 HD13 LEU B 660 -2.804 131.269 -11.607 1.00 20.65 H +ATOM 7587 HD21 LEU B 660 -3.007 133.728 -9.792 1.00 20.43 H +ATOM 7588 HD22 LEU B 660 -4.192 132.400 -9.808 1.00 20.43 H +ATOM 7589 HD23 LEU B 660 -3.411 132.877 -8.282 1.00 20.43 H +ATOM 7590 N CYS B 661 -2.362 128.139 -6.704 1.00 22.48 N +ATOM 7591 CA CYS B 661 -2.823 126.851 -6.199 1.00 23.16 C +ATOM 7592 C CYS B 661 -3.238 126.935 -4.731 1.00 23.16 C +ATOM 7593 O CYS B 661 -4.171 126.259 -4.306 1.00 22.95 O +ATOM 7594 CB CYS B 661 -1.752 125.779 -6.413 1.00 22.41 C +ATOM 7595 SG CYS B 661 -1.618 125.288 -8.154 1.00 23.35 S +ATOM 7596 H CYS B 661 -1.376 128.287 -6.863 1.00 22.48 H +ATOM 7597 HA CYS B 661 -3.701 126.562 -6.777 1.00 23.16 H +ATOM 7598 HB3 CYS B 661 -1.988 124.905 -5.806 1.00 22.41 H +ATOM 7599 HB2 CYS B 661 -0.789 126.155 -6.067 1.00 22.41 H +ATOM 7600 HG CYS B 661 -1.296 126.352 -8.894 1.00 23.35 H +ATOM 7601 N ILE B 662 -2.557 127.776 -3.962 1.00 23.43 N +ATOM 7602 CA ILE B 662 -2.913 127.952 -2.560 1.00 24.13 C +ATOM 7603 C ILE B 662 -4.330 128.554 -2.502 1.00 24.76 C +ATOM 7604 O ILE B 662 -5.150 128.157 -1.676 1.00 24.80 O +ATOM 7605 CB ILE B 662 -1.898 128.876 -1.848 1.00 24.00 C +ATOM 7606 CG1 ILE B 662 -0.545 128.154 -1.737 1.00 22.92 C +ATOM 7607 CG2 ILE B 662 -2.422 129.277 -0.468 1.00 23.74 C +ATOM 7608 CD1 ILE B 662 0.590 129.027 -1.278 1.00 21.19 C +ATOM 7609 H ILE B 662 -1.785 128.300 -4.347 1.00 23.43 H +ATOM 7610 HA ILE B 662 -2.918 126.980 -2.068 1.00 24.13 H +ATOM 7611 HB ILE B 662 -1.765 129.777 -2.447 1.00 24.00 H +ATOM 7612 HG13 ILE B 662 -0.293 127.710 -2.701 1.00 22.92 H +ATOM 7613 HG12 ILE B 662 -0.643 127.304 -1.062 1.00 22.92 H +ATOM 7614 HG21 ILE B 662 -1.697 129.928 0.022 1.00 23.74 H +ATOM 7615 HG22 ILE B 662 -3.368 129.807 -0.577 1.00 23.74 H +ATOM 7616 HG23 ILE B 662 -2.575 128.384 0.138 1.00 23.74 H +ATOM 7617 HD11 ILE B 662 1.505 128.437 -1.229 1.00 21.19 H +ATOM 7618 HD12 ILE B 662 0.725 129.848 -1.982 1.00 21.19 H +ATOM 7619 HD13 ILE B 662 0.363 129.429 -0.291 1.00 21.19 H +ATOM 7620 N ILE B 663 -4.615 129.503 -3.389 1.00 25.31 N +ATOM 7621 CA ILE B 663 -5.942 130.115 -3.440 1.00 25.78 C +ATOM 7622 C ILE B 663 -6.941 129.028 -3.832 1.00 26.23 C +ATOM 7623 O ILE B 663 -8.039 128.957 -3.292 1.00 25.94 O +ATOM 7624 CB ILE B 663 -5.970 131.280 -4.454 1.00 25.88 C +ATOM 7625 CG1 ILE B 663 -5.165 132.455 -3.885 1.00 24.68 C +ATOM 7626 CG2 ILE B 663 -7.409 131.689 -4.752 1.00 26.32 C +ATOM 7627 CD1 ILE B 663 -5.040 133.625 -4.806 1.00 25.96 C +ATOM 7628 H ILE B 663 -3.909 129.813 -4.042 1.00 25.31 H +ATOM 7629 HA ILE B 663 -6.198 130.496 -2.452 1.00 25.78 H +ATOM 7630 HB ILE B 663 -5.500 130.950 -5.380 1.00 25.88 H +ATOM 7631 HG13 ILE B 663 -4.170 132.109 -3.604 1.00 24.68 H +ATOM 7632 HG12 ILE B 663 -5.615 132.780 -2.947 1.00 24.68 H +ATOM 7633 HG21 ILE B 663 -7.413 132.511 -5.468 1.00 26.32 H +ATOM 7634 HG22 ILE B 663 -7.949 130.840 -5.172 1.00 26.32 H +ATOM 7635 HG23 ILE B 663 -7.895 132.008 -3.830 1.00 26.32 H +ATOM 7636 HD11 ILE B 663 -4.456 134.408 -4.322 1.00 25.96 H +ATOM 7637 HD12 ILE B 663 -4.541 133.314 -5.723 1.00 25.96 H +ATOM 7638 HD13 ILE B 663 -6.032 134.008 -5.045 1.00 25.96 H +ATOM 7639 N GLY B 664 -6.541 128.184 -4.778 1.00 26.80 N +ATOM 7640 CA GLY B 664 -7.358 127.059 -5.199 1.00 27.86 C +ATOM 7641 C GLY B 664 -8.743 127.227 -5.795 1.00 28.46 C +ATOM 7642 O GLY B 664 -9.521 126.279 -5.800 1.00 28.29 O +ATOM 7643 H GLY B 664 -5.646 128.316 -5.227 1.00 26.80 H +ATOM 7644 HA3 GLY B 664 -7.416 126.344 -4.378 1.00 27.86 H +ATOM 7645 HA2 GLY B 664 -6.767 126.428 -5.863 1.00 27.86 H +ATOM 7646 N THR B 665 -9.066 128.408 -6.304 1.00 28.96 N +ATOM 7647 CA THR B 665 -10.376 128.612 -6.910 1.00 29.83 C +ATOM 7648 C THR B 665 -10.241 128.411 -8.416 1.00 30.56 C +ATOM 7649 O THR B 665 -9.139 128.505 -8.958 1.00 30.19 O +ATOM 7650 CB THR B 665 -10.892 130.029 -6.642 1.00 29.72 C +ATOM 7651 OG1 THR B 665 -9.949 130.977 -7.157 1.00 30.19 O +ATOM 7652 CG2 THR B 665 -11.077 130.257 -5.142 1.00 29.32 C +ATOM 7653 H THR B 665 -8.404 129.169 -6.272 1.00 28.96 H +ATOM 7654 HA THR B 665 -11.081 127.885 -6.507 1.00 29.83 H +ATOM 7655 HB THR B 665 -11.849 130.164 -7.147 1.00 29.72 H +ATOM 7656 HG1 THR B 665 -10.128 131.843 -6.784 1.00 30.19 H +ATOM 7657 HG21 THR B 665 -11.444 131.269 -4.969 1.00 29.32 H +ATOM 7658 HG22 THR B 665 -11.797 129.538 -4.751 1.00 29.32 H +ATOM 7659 HG23 THR B 665 -10.122 130.126 -4.633 1.00 29.32 H +ATOM 7660 N GLU B 666 -11.350 128.128 -9.093 1.00 31.37 N +ATOM 7661 CA GLU B 666 -11.296 127.931 -10.537 1.00 32.72 C +ATOM 7662 C GLU B 666 -10.803 129.227 -11.167 1.00 32.38 C +ATOM 7663 O GLU B 666 -10.133 129.212 -12.199 1.00 32.20 O +ATOM 7664 CB GLU B 666 -12.675 127.566 -11.091 1.00 34.11 C +ATOM 7665 CG GLU B 666 -13.307 126.372 -10.390 1.00 38.01 C +ATOM 7666 CD GLU B 666 -14.319 125.643 -11.258 1.00 40.11 C +ATOM 7667 OE1 GLU B 666 -15.129 126.320 -11.935 1.00 41.27 O +ATOM 7668 OE2 GLU B 666 -14.304 124.392 -11.255 1.00 40.91 O1- +ATOM 7669 H GLU B 666 -12.232 128.048 -8.608 1.00 31.37 H +ATOM 7670 HA GLU B 666 -10.593 127.130 -10.765 1.00 32.72 H +ATOM 7671 HB3 GLU B 666 -12.593 127.357 -12.157 1.00 34.11 H +ATOM 7672 HB2 GLU B 666 -13.338 128.427 -11.008 1.00 34.11 H +ATOM 7673 HG3 GLU B 666 -13.791 126.706 -9.472 1.00 38.01 H +ATOM 7674 HG2 GLU B 666 -12.526 125.678 -10.082 1.00 38.01 H +ATOM 7675 N GLU B 667 -11.142 130.347 -10.535 1.00 31.70 N +ATOM 7676 CA GLU B 667 -10.706 131.644 -11.021 1.00 32.06 C +ATOM 7677 C GLU B 667 -9.175 131.681 -11.035 1.00 31.06 C +ATOM 7678 O GLU B 667 -8.566 132.093 -12.021 1.00 31.09 O +ATOM 7679 CB GLU B 667 -11.238 132.761 -10.120 1.00 33.45 C +ATOM 7680 CG GLU B 667 -10.501 134.082 -10.305 1.00 36.72 C +ATOM 7681 CD GLU B 667 -11.046 135.197 -9.436 1.00 38.42 C +ATOM 7682 OE1 GLU B 667 -11.258 134.971 -8.226 1.00 40.07 O +ATOM 7683 OE2 GLU B 667 -11.251 136.310 -9.966 1.00 40.38 O1- +ATOM 7684 H GLU B 667 -11.712 130.304 -9.702 1.00 31.70 H +ATOM 7685 HA GLU B 667 -11.078 131.791 -12.035 1.00 32.06 H +ATOM 7686 HB3 GLU B 667 -11.167 132.450 -9.078 1.00 33.45 H +ATOM 7687 HB2 GLU B 667 -12.300 132.908 -10.315 1.00 33.45 H +ATOM 7688 HG3 GLU B 667 -10.552 134.381 -11.352 1.00 36.72 H +ATOM 7689 HG2 GLU B 667 -9.442 133.939 -10.089 1.00 36.72 H +ATOM 7690 N ALA B 668 -8.563 131.248 -9.935 1.00 29.88 N +ATOM 7691 CA ALA B 668 -7.105 131.232 -9.823 1.00 28.96 C +ATOM 7692 C ALA B 668 -6.487 130.261 -10.830 1.00 28.03 C +ATOM 7693 O ALA B 668 -5.567 130.616 -11.566 1.00 27.70 O +ATOM 7694 CB ALA B 668 -6.692 130.851 -8.405 1.00 28.47 C +ATOM 7695 H ALA B 668 -9.108 130.920 -9.150 1.00 29.88 H +ATOM 7696 HA ALA B 668 -6.731 132.234 -10.035 1.00 28.96 H +ATOM 7697 HB1 ALA B 668 -5.604 130.842 -8.333 1.00 28.47 H +ATOM 7698 HB2 ALA B 668 -7.096 131.579 -7.701 1.00 28.47 H +ATOM 7699 HB3 ALA B 668 -7.080 129.861 -8.167 1.00 28.47 H +ATOM 7700 N TYR B 669 -7.004 129.037 -10.852 1.00 27.54 N +ATOM 7701 CA TYR B 669 -6.525 127.996 -11.758 1.00 27.34 C +ATOM 7702 C TYR B 669 -6.523 128.442 -13.211 1.00 27.67 C +ATOM 7703 O TYR B 669 -5.541 128.244 -13.928 1.00 27.26 O +ATOM 7704 CB TYR B 669 -7.413 126.755 -11.672 1.00 27.01 C +ATOM 7705 CG TYR B 669 -7.368 125.994 -10.369 1.00 27.53 C +ATOM 7706 CD1 TYR B 669 -8.482 125.277 -9.940 1.00 27.05 C +ATOM 7707 CD2 TYR B 669 -6.212 125.951 -9.583 1.00 26.82 C +ATOM 7708 CE1 TYR B 669 -8.457 124.537 -8.766 1.00 27.39 C +ATOM 7709 CE2 TYR B 669 -6.174 125.206 -8.397 1.00 27.04 C +ATOM 7710 CZ TYR B 669 -7.305 124.502 -7.998 1.00 27.67 C +ATOM 7711 OH TYR B 669 -7.308 123.758 -6.839 1.00 27.36 O +ATOM 7712 H TYR B 669 -7.759 128.796 -10.226 1.00 27.54 H +ATOM 7713 HA TYR B 669 -5.509 127.722 -11.473 1.00 27.34 H +ATOM 7714 HB3 TYR B 669 -7.168 126.080 -12.492 1.00 27.01 H +ATOM 7715 HB2 TYR B 669 -8.444 127.035 -11.889 1.00 27.01 H +ATOM 7716 HD1 TYR B 669 -9.390 125.290 -10.524 1.00 27.05 H +ATOM 7717 HD2 TYR B 669 -5.332 126.498 -9.888 1.00 26.82 H +ATOM 7718 HE1 TYR B 669 -9.334 123.991 -8.453 1.00 27.39 H +ATOM 7719 HE2 TYR B 669 -5.273 125.183 -7.803 1.00 27.04 H +ATOM 7720 HH TYR B 669 -6.450 123.825 -6.413 1.00 27.36 H +ATOM 7721 N ASP B 670 -7.631 129.036 -13.642 1.00 27.49 N +ATOM 7722 CA ASP B 670 -7.766 129.451 -15.032 1.00 28.02 C +ATOM 7723 C ASP B 670 -6.954 130.658 -15.483 1.00 27.72 C +ATOM 7724 O ASP B 670 -6.915 130.967 -16.669 1.00 27.27 O +ATOM 7725 CB ASP B 670 -9.247 129.652 -15.374 1.00 29.02 C +ATOM 7726 CG ASP B 670 -10.038 128.352 -15.299 1.00 30.82 C +ATOM 7727 OD1 ASP B 670 -9.452 127.274 -15.555 1.00 30.49 O +ATOM 7728 OD2 ASP B 670 -11.251 128.404 -14.997 1.00 32.68 O1- +ATOM 7729 H ASP B 670 -8.395 129.206 -13.003 1.00 27.49 H +ATOM 7730 HA ASP B 670 -7.424 128.610 -15.636 1.00 28.02 H +ATOM 7731 HB3 ASP B 670 -9.334 130.071 -16.376 1.00 29.02 H +ATOM 7732 HB2 ASP B 670 -9.682 130.380 -14.690 1.00 29.02 H +ATOM 7733 N ILE B 671 -6.307 131.343 -14.549 1.00 27.01 N +ATOM 7734 CA ILE B 671 -5.490 132.486 -14.918 1.00 26.85 C +ATOM 7735 C ILE B 671 -4.286 131.994 -15.722 1.00 26.32 C +ATOM 7736 O ILE B 671 -3.820 132.664 -16.641 1.00 25.79 O +ATOM 7737 CB ILE B 671 -4.998 133.231 -13.668 1.00 27.64 C +ATOM 7738 CG1 ILE B 671 -6.128 134.106 -13.129 1.00 29.34 C +ATOM 7739 CG2 ILE B 671 -3.767 134.069 -13.993 1.00 27.96 C +ATOM 7740 CD1 ILE B 671 -5.836 134.675 -11.778 1.00 30.56 C +ATOM 7741 H ILE B 671 -6.382 131.070 -13.579 1.00 27.01 H +ATOM 7742 HA ILE B 671 -6.080 133.166 -15.533 1.00 26.85 H +ATOM 7743 HB ILE B 671 -4.730 132.498 -12.907 1.00 27.64 H +ATOM 7744 HG13 ILE B 671 -7.048 133.522 -13.085 1.00 29.34 H +ATOM 7745 HG12 ILE B 671 -6.323 134.918 -13.830 1.00 29.34 H +ATOM 7746 HG21 ILE B 671 -3.434 134.589 -13.095 1.00 27.96 H +ATOM 7747 HG22 ILE B 671 -2.969 133.419 -14.353 1.00 27.96 H +ATOM 7748 HG23 ILE B 671 -4.016 134.798 -14.764 1.00 27.96 H +ATOM 7749 HD11 ILE B 671 -6.677 135.286 -11.451 1.00 30.56 H +ATOM 7750 HD12 ILE B 671 -5.680 133.864 -11.067 1.00 30.56 H +ATOM 7751 HD13 ILE B 671 -4.938 135.291 -11.829 1.00 30.56 H +ATOM 7752 N ILE B 672 -3.804 130.807 -15.376 1.00 24.99 N +ATOM 7753 CA ILE B 672 -2.643 130.222 -16.033 1.00 24.74 C +ATOM 7754 C ILE B 672 -2.870 129.874 -17.501 1.00 24.15 C +ATOM 7755 O ILE B 672 -3.754 129.088 -17.841 1.00 24.74 O +ATOM 7756 CB ILE B 672 -2.186 128.943 -15.293 1.00 24.57 C +ATOM 7757 CG1 ILE B 672 -1.948 129.261 -13.811 1.00 25.09 C +ATOM 7758 CG2 ILE B 672 -0.924 128.383 -15.941 1.00 23.49 C +ATOM 7759 CD1 ILE B 672 -1.614 128.048 -12.949 1.00 24.00 C +ATOM 7760 H ILE B 672 -4.244 130.279 -14.636 1.00 24.99 H +ATOM 7761 HA ILE B 672 -1.830 130.946 -15.983 1.00 24.74 H +ATOM 7762 HB ILE B 672 -2.976 128.196 -15.367 1.00 24.57 H +ATOM 7763 HG13 ILE B 672 -2.826 129.762 -13.403 1.00 25.09 H +ATOM 7764 HG12 ILE B 672 -1.149 129.997 -13.723 1.00 25.09 H +ATOM 7765 HG21 ILE B 672 -0.612 127.483 -15.411 1.00 23.49 H +ATOM 7766 HG22 ILE B 672 -1.128 128.138 -16.983 1.00 23.49 H +ATOM 7767 HG23 ILE B 672 -0.129 129.127 -15.891 1.00 23.49 H +ATOM 7768 HD11 ILE B 672 -1.462 128.365 -11.918 1.00 24.00 H +ATOM 7769 HD12 ILE B 672 -2.437 127.334 -12.992 1.00 24.00 H +ATOM 7770 HD13 ILE B 672 -0.705 127.576 -13.322 1.00 24.00 H +ATOM 7771 N ASN B 673 -2.070 130.472 -18.372 1.00 23.23 N +ATOM 7772 CA ASN B 673 -2.159 130.177 -19.789 1.00 22.36 C +ATOM 7773 C ASN B 673 -1.269 128.951 -19.979 1.00 22.12 C +ATOM 7774 O ASN B 673 -0.060 129.068 -20.166 1.00 21.56 O +ATOM 7775 CB ASN B 673 -1.628 131.347 -20.614 1.00 22.60 C +ATOM 7776 CG ASN B 673 -1.785 131.121 -22.101 1.00 22.91 C +ATOM 7777 OD1 ASN B 673 -1.763 129.980 -22.573 1.00 23.05 O +ATOM 7778 ND2 ASN B 673 -1.923 132.205 -22.853 1.00 23.17 N +ATOM 7779 H ASN B 673 -1.386 131.142 -18.052 1.00 23.23 H +ATOM 7780 HA ASN B 673 -3.188 129.949 -20.068 1.00 22.36 H +ATOM 7781 HB3 ASN B 673 -0.575 131.507 -20.380 1.00 22.60 H +ATOM 7782 HB2 ASN B 673 -2.153 132.259 -20.328 1.00 22.60 H +ATOM 7783 HD22 ASN B 673 -2.032 132.115 -23.854 1.00 23.17 H +ATOM 7784 HD21 ASN B 673 -1.919 133.120 -22.426 1.00 23.17 H +ATOM 7785 N ARG B 674 -1.876 127.772 -19.920 1.00 22.08 N +ATOM 7786 CA ARG B 674 -1.141 126.524 -20.042 1.00 21.65 C +ATOM 7787 C ARG B 674 -0.452 126.306 -21.382 1.00 22.39 C +ATOM 7788 O ARG B 674 0.679 125.822 -21.418 1.00 22.41 O +ATOM 7789 CB ARG B 674 -2.075 125.353 -19.716 1.00 21.88 C +ATOM 7790 CG ARG B 674 -2.601 125.420 -18.281 1.00 21.45 C +ATOM 7791 CD ARG B 674 -3.699 124.402 -17.993 1.00 22.25 C +ATOM 7792 NE ARG B 674 -3.236 123.022 -18.088 1.00 22.09 N +ATOM 7793 CZ ARG B 674 -3.503 122.212 -19.105 1.00 22.25 C +ATOM 7794 NH1 ARG B 674 -4.237 122.642 -20.125 1.00 21.63 N +ATOM 7795 NH2 ARG B 674 -3.036 120.969 -19.103 1.00 21.31 N1+ +ATOM 7796 H ARG B 674 -2.876 127.725 -19.787 1.00 22.08 H +ATOM 7797 HA ARG B 674 -0.362 126.535 -19.279 1.00 21.65 H +ATOM 7798 HB3 ARG B 674 -1.543 124.413 -19.864 1.00 21.88 H +ATOM 7799 HB2 ARG B 674 -2.915 125.355 -20.410 1.00 21.88 H +ATOM 7800 HG3 ARG B 674 -2.976 126.423 -18.079 1.00 21.45 H +ATOM 7801 HG2 ARG B 674 -1.775 125.268 -17.585 1.00 21.45 H +ATOM 7802 HD3 ARG B 674 -4.526 124.555 -18.686 1.00 22.25 H +ATOM 7803 HD2 ARG B 674 -4.105 124.579 -16.997 1.00 22.25 H +ATOM 7804 HE ARG B 674 -2.678 122.692 -17.313 1.00 22.09 H +ATOM 7805 HH12 ARG B 674 -4.439 122.024 -20.898 1.00 21.63 H +ATOM 7806 HH11 ARG B 674 -4.593 123.587 -20.127 1.00 21.63 H +ATOM 7807 HH22 ARG B 674 -3.239 120.352 -19.877 1.00 21.31 H +ATOM 7808 HH21 ARG B 674 -2.478 120.640 -18.328 1.00 21.31 H +ATOM 7809 N GLU B 675 -1.119 126.661 -22.479 1.00 23.02 N +ATOM 7810 CA GLU B 675 -0.531 126.498 -23.808 1.00 23.95 C +ATOM 7811 C GLU B 675 0.791 127.253 -23.902 1.00 23.86 C +ATOM 7812 O GLU B 675 1.801 126.700 -24.331 1.00 23.96 O +ATOM 7813 CB GLU B 675 -1.471 127.027 -24.902 1.00 26.41 C +ATOM 7814 CG GLU B 675 -2.778 126.264 -25.094 1.00 29.10 C +ATOM 7815 CD GLU B 675 -3.719 126.385 -23.905 1.00 30.95 C +ATOM 7816 OE1 GLU B 675 -3.725 127.452 -23.250 1.00 31.82 O +ATOM 7817 OE2 GLU B 675 -4.467 125.418 -23.638 1.00 32.56 O1- +ATOM 7818 H GLU B 675 -2.048 127.051 -22.402 1.00 23.02 H +ATOM 7819 HA GLU B 675 -0.346 125.438 -23.984 1.00 23.95 H +ATOM 7820 HB3 GLU B 675 -0.934 127.064 -25.850 1.00 26.41 H +ATOM 7821 HB2 GLU B 675 -1.693 128.077 -24.709 1.00 26.41 H +ATOM 7822 HG3 GLU B 675 -2.559 125.212 -25.276 1.00 29.10 H +ATOM 7823 HG2 GLU B 675 -3.280 126.625 -25.991 1.00 29.10 H +ATOM 7824 N LYS B 676 0.774 128.523 -23.505 1.00 23.34 N +ATOM 7825 CA LYS B 676 1.969 129.354 -23.559 1.00 24.04 C +ATOM 7826 C LYS B 676 2.997 128.954 -22.500 1.00 23.71 C +ATOM 7827 O LYS B 676 4.204 129.097 -22.717 1.00 23.41 O +ATOM 7828 CB LYS B 676 1.599 130.831 -23.390 1.00 24.87 C +ATOM 7829 CG LYS B 676 0.643 131.357 -24.453 1.00 27.35 C +ATOM 7830 CD LYS B 676 1.172 131.160 -25.881 1.00 28.91 C +ATOM 7831 CE LYS B 676 2.439 131.974 -26.134 1.00 31.07 C +ATOM 7832 NZ LYS B 676 2.841 131.972 -27.579 1.00 32.06 N1+ +ATOM 7833 H LYS B 676 -0.081 128.932 -23.156 1.00 23.34 H +ATOM 7834 HA LYS B 676 2.426 129.229 -24.540 1.00 24.04 H +ATOM 7835 HB3 LYS B 676 2.507 131.434 -23.391 1.00 24.87 H +ATOM 7836 HB2 LYS B 676 1.162 130.984 -22.403 1.00 24.87 H +ATOM 7837 HG3 LYS B 676 0.456 132.417 -24.279 1.00 27.35 H +ATOM 7838 HG2 LYS B 676 -0.321 130.859 -24.351 1.00 27.35 H +ATOM 7839 HD3 LYS B 676 0.404 131.454 -26.596 1.00 28.91 H +ATOM 7840 HD2 LYS B 676 1.380 130.103 -26.048 1.00 28.91 H +ATOM 7841 HE3 LYS B 676 3.254 131.573 -25.531 1.00 31.07 H +ATOM 7842 HE2 LYS B 676 2.283 133.000 -25.803 1.00 31.07 H +ATOM 7843 HZ1 LYS B 676 3.135 131.044 -27.847 1.00 32.06 H +ATOM 7844 HZ2 LYS B 676 2.055 132.253 -28.148 1.00 32.06 H +ATOM 7845 HZ3 LYS B 676 3.604 132.619 -27.718 1.00 32.06 H +ATOM 7846 N LEU B 677 2.525 128.460 -21.358 1.00 22.74 N +ATOM 7847 CA LEU B 677 3.442 128.040 -20.304 1.00 22.64 C +ATOM 7848 C LEU B 677 4.314 126.901 -20.827 1.00 22.62 C +ATOM 7849 O LEU B 677 5.531 126.936 -20.680 1.00 22.77 O +ATOM 7850 CB LEU B 677 2.680 127.578 -19.051 1.00 20.72 C +ATOM 7851 CG LEU B 677 3.525 127.002 -17.896 1.00 20.93 C +ATOM 7852 CD1 LEU B 677 4.622 127.991 -17.495 1.00 18.66 C +ATOM 7853 CD2 LEU B 677 2.621 126.683 -16.695 1.00 18.78 C +ATOM 7854 H LEU B 677 1.528 128.374 -21.218 1.00 22.74 H +ATOM 7855 HA LEU B 677 4.082 128.881 -20.038 1.00 22.64 H +ATOM 7856 HB3 LEU B 677 1.923 126.849 -19.340 1.00 20.72 H +ATOM 7857 HB2 LEU B 677 2.074 128.402 -18.675 1.00 20.72 H +ATOM 7858 HG LEU B 677 3.995 126.078 -18.234 1.00 20.93 H +ATOM 7859 HD11 LEU B 677 5.210 127.571 -16.679 1.00 18.66 H +ATOM 7860 HD12 LEU B 677 5.271 128.181 -18.350 1.00 18.66 H +ATOM 7861 HD13 LEU B 677 4.167 128.927 -17.170 1.00 18.66 H +ATOM 7862 HD21 LEU B 677 3.224 126.277 -15.883 1.00 18.78 H +ATOM 7863 HD22 LEU B 677 2.128 127.595 -16.359 1.00 18.78 H +ATOM 7864 HD23 LEU B 677 1.869 125.951 -16.990 1.00 18.78 H +ATOM 7865 N LEU B 678 3.695 125.897 -21.447 1.00 23.44 N +ATOM 7866 CA LEU B 678 4.450 124.761 -21.973 1.00 23.60 C +ATOM 7867 C LEU B 678 5.439 125.203 -23.051 1.00 24.09 C +ATOM 7868 O LEU B 678 6.582 124.743 -23.083 1.00 24.46 O +ATOM 7869 CB LEU B 678 3.500 123.693 -22.532 1.00 23.84 C +ATOM 7870 CG LEU B 678 4.152 122.421 -23.101 1.00 23.92 C +ATOM 7871 CD1 LEU B 678 5.157 121.857 -22.112 1.00 23.38 C +ATOM 7872 CD2 LEU B 678 3.076 121.386 -23.409 1.00 23.58 C +ATOM 7873 H LEU B 678 2.691 125.915 -21.559 1.00 23.44 H +ATOM 7874 HA LEU B 678 5.015 124.318 -21.153 1.00 23.60 H +ATOM 7875 HB3 LEU B 678 2.864 124.143 -23.295 1.00 23.84 H +ATOM 7876 HB2 LEU B 678 2.781 123.415 -21.762 1.00 23.84 H +ATOM 7877 HG LEU B 678 4.671 122.674 -24.025 1.00 23.92 H +ATOM 7878 HD11 LEU B 678 5.610 120.957 -22.528 1.00 23.38 H +ATOM 7879 HD12 LEU B 678 5.933 122.598 -21.919 1.00 23.38 H +ATOM 7880 HD13 LEU B 678 4.650 121.610 -21.179 1.00 23.38 H +ATOM 7881 HD21 LEU B 678 3.541 120.487 -23.811 1.00 23.58 H +ATOM 7882 HD22 LEU B 678 2.537 121.138 -22.494 1.00 23.58 H +ATOM 7883 HD23 LEU B 678 2.379 121.794 -24.141 1.00 23.58 H +ATOM 7884 N GLN B 679 5.005 126.094 -23.934 1.00 24.02 N +ATOM 7885 CA GLN B 679 5.884 126.589 -24.989 1.00 24.66 C +ATOM 7886 C GLN B 679 7.076 127.320 -24.374 1.00 24.49 C +ATOM 7887 O GLN B 679 8.209 127.197 -24.848 1.00 23.50 O +ATOM 7888 CB GLN B 679 5.115 127.531 -25.915 1.00 26.43 C +ATOM 7889 CG GLN B 679 4.158 126.810 -26.852 1.00 28.54 C +ATOM 7890 CD GLN B 679 3.272 127.765 -27.627 1.00 30.12 C +ATOM 7891 OE1 GLN B 679 3.709 128.841 -28.040 1.00 30.23 O +ATOM 7892 NE2 GLN B 679 2.023 127.369 -27.840 1.00 30.76 N +ATOM 7893 H GLN B 679 4.057 126.437 -23.881 1.00 24.02 H +ATOM 7894 HA GLN B 679 6.250 125.743 -25.570 1.00 24.66 H +ATOM 7895 HB3 GLN B 679 5.822 128.119 -26.501 1.00 26.43 H +ATOM 7896 HB2 GLN B 679 4.560 128.253 -25.316 1.00 26.43 H +ATOM 7897 HG3 GLN B 679 3.536 126.124 -26.277 1.00 28.54 H +ATOM 7898 HG2 GLN B 679 4.728 126.197 -27.550 1.00 28.54 H +ATOM 7899 HE22 GLN B 679 1.385 127.963 -28.350 1.00 30.76 H +ATOM 7900 HE21 GLN B 679 1.711 126.474 -27.491 1.00 30.76 H +ATOM 7901 N TYR B 680 6.806 128.087 -23.320 1.00 23.98 N +ATOM 7902 CA TYR B 680 7.849 128.823 -22.619 1.00 23.63 C +ATOM 7903 C TYR B 680 8.878 127.847 -22.031 1.00 23.23 C +ATOM 7904 O TYR B 680 10.087 128.052 -22.161 1.00 22.55 O +ATOM 7905 CB TYR B 680 7.236 129.671 -21.502 1.00 23.85 C +ATOM 7906 CG TYR B 680 8.264 130.436 -20.701 1.00 24.13 C +ATOM 7907 CD1 TYR B 680 9.114 131.344 -21.322 1.00 24.16 C +ATOM 7908 CD2 TYR B 680 8.399 130.237 -19.326 1.00 24.28 C +ATOM 7909 CE1 TYR B 680 10.075 132.035 -20.604 1.00 24.94 C +ATOM 7910 CE2 TYR B 680 9.362 130.927 -18.591 1.00 24.74 C +ATOM 7911 CZ TYR B 680 10.197 131.825 -19.241 1.00 25.04 C +ATOM 7912 OH TYR B 680 11.151 132.522 -18.542 1.00 25.23 O +ATOM 7913 H TYR B 680 5.856 128.170 -22.987 1.00 23.98 H +ATOM 7914 HA TYR B 680 8.352 129.482 -23.327 1.00 23.63 H +ATOM 7915 HB3 TYR B 680 6.661 129.030 -20.834 1.00 23.85 H +ATOM 7916 HB2 TYR B 680 6.518 130.371 -21.931 1.00 23.85 H +ATOM 7917 HD1 TYR B 680 9.032 131.520 -22.384 1.00 24.16 H +ATOM 7918 HD2 TYR B 680 7.752 129.539 -18.815 1.00 24.28 H +ATOM 7919 HE1 TYR B 680 10.725 132.735 -21.108 1.00 24.94 H +ATOM 7920 HE2 TYR B 680 9.452 130.761 -17.528 1.00 24.74 H +ATOM 7921 HH TYR B 680 11.513 133.216 -19.098 1.00 25.23 H +ATOM 7922 N LEU B 681 8.402 126.787 -21.381 1.00 22.80 N +ATOM 7923 CA LEU B 681 9.323 125.806 -20.816 1.00 23.00 C +ATOM 7924 C LEU B 681 10.212 125.258 -21.937 1.00 23.01 C +ATOM 7925 O LEU B 681 11.432 125.150 -21.777 1.00 21.98 O +ATOM 7926 CB LEU B 681 8.556 124.667 -20.129 1.00 23.11 C +ATOM 7927 CG LEU B 681 7.727 125.035 -18.890 1.00 24.26 C +ATOM 7928 CD1 LEU B 681 7.159 123.772 -18.252 1.00 23.51 C +ATOM 7929 CD2 LEU B 681 8.600 125.779 -17.879 1.00 23.70 C +ATOM 7930 H LEU B 681 7.405 126.664 -21.279 1.00 22.80 H +ATOM 7931 HA LEU B 681 9.954 126.301 -20.077 1.00 23.00 H +ATOM 7932 HB3 LEU B 681 9.254 123.870 -19.870 1.00 23.11 H +ATOM 7933 HB2 LEU B 681 7.912 124.177 -20.859 1.00 23.11 H +ATOM 7934 HG LEU B 681 6.903 125.682 -19.193 1.00 24.26 H +ATOM 7935 HD11 LEU B 681 6.572 124.040 -17.374 1.00 23.51 H +ATOM 7936 HD12 LEU B 681 6.522 123.256 -18.971 1.00 23.51 H +ATOM 7937 HD13 LEU B 681 7.977 123.115 -17.955 1.00 23.51 H +ATOM 7938 HD21 LEU B 681 8.004 126.036 -17.004 1.00 23.70 H +ATOM 7939 HD22 LEU B 681 9.431 125.142 -17.577 1.00 23.70 H +ATOM 7940 HD23 LEU B 681 8.988 126.690 -18.334 1.00 23.70 H +ATOM 7941 N TYR B 682 9.599 124.926 -23.072 1.00 22.87 N +ATOM 7942 CA TYR B 682 10.342 124.413 -24.223 1.00 23.11 C +ATOM 7943 C TYR B 682 11.411 125.410 -24.657 1.00 22.49 C +ATOM 7944 O TYR B 682 12.520 125.018 -25.016 1.00 22.87 O +ATOM 7945 CB TYR B 682 9.401 124.148 -25.411 1.00 24.29 C +ATOM 7946 CG TYR B 682 8.852 122.738 -25.501 1.00 25.41 C +ATOM 7947 CD1 TYR B 682 8.217 122.139 -24.411 1.00 25.13 C +ATOM 7948 CD2 TYR B 682 8.945 122.010 -26.691 1.00 26.02 C +ATOM 7949 CE1 TYR B 682 7.691 120.857 -24.503 1.00 26.26 C +ATOM 7950 CE2 TYR B 682 8.415 120.719 -26.794 1.00 25.82 C +ATOM 7951 CZ TYR B 682 7.791 120.150 -25.695 1.00 26.16 C +ATOM 7952 OH TYR B 682 7.268 118.881 -25.782 1.00 25.77 O +ATOM 7953 H TYR B 682 8.597 125.026 -23.153 1.00 22.87 H +ATOM 7954 HA TYR B 682 10.826 123.477 -23.941 1.00 23.11 H +ATOM 7955 HB3 TYR B 682 9.916 124.394 -26.340 1.00 24.29 H +ATOM 7956 HB2 TYR B 682 8.573 124.856 -25.380 1.00 24.29 H +ATOM 7957 HD1 TYR B 682 8.128 122.674 -23.477 1.00 25.13 H +ATOM 7958 HD2 TYR B 682 9.433 122.443 -27.552 1.00 26.02 H +ATOM 7959 HE1 TYR B 682 7.205 120.411 -23.648 1.00 26.26 H +ATOM 7960 HE2 TYR B 682 8.494 120.175 -27.724 1.00 25.82 H +ATOM 7961 HH TYR B 682 7.418 118.532 -26.664 1.00 25.77 H +ATOM 7962 N SER B 683 11.080 126.698 -24.616 1.00 21.83 N +ATOM 7963 CA SER B 683 12.019 127.735 -25.041 1.00 21.39 C +ATOM 7964 C SER B 683 13.224 127.871 -24.117 1.00 21.09 C +ATOM 7965 O SER B 683 14.182 128.560 -24.444 1.00 21.25 O +ATOM 7966 CB SER B 683 11.309 129.093 -25.158 1.00 21.22 C +ATOM 7967 OG SER B 683 11.084 129.681 -23.890 1.00 19.71 O +ATOM 7968 H SER B 683 10.166 126.975 -24.287 1.00 21.83 H +ATOM 7969 HA SER B 683 12.387 127.465 -26.031 1.00 21.39 H +ATOM 7970 HB3 SER B 683 10.356 128.961 -25.671 1.00 21.22 H +ATOM 7971 HB2 SER B 683 11.912 129.766 -25.768 1.00 21.22 H +ATOM 7972 HG SER B 683 10.535 129.099 -23.360 1.00 19.71 H +ATOM 7973 N LEU B 684 13.176 127.210 -22.968 1.00 21.38 N +ATOM 7974 CA LEU B 684 14.278 127.267 -22.014 1.00 22.18 C +ATOM 7975 C LEU B 684 15.038 125.941 -21.903 1.00 22.20 C +ATOM 7976 O LEU B 684 16.104 125.889 -21.299 1.00 22.83 O +ATOM 7977 CB LEU B 684 13.749 127.654 -20.628 1.00 22.07 C +ATOM 7978 CG LEU B 684 12.987 128.977 -20.501 1.00 22.89 C +ATOM 7979 CD1 LEU B 684 12.471 129.126 -19.072 1.00 22.53 C +ATOM 7980 CD2 LEU B 684 13.893 130.149 -20.879 1.00 22.24 C +ATOM 7981 H LEU B 684 12.365 126.653 -22.740 1.00 21.38 H +ATOM 7982 HA LEU B 684 14.977 128.037 -22.341 1.00 22.18 H +ATOM 7983 HB3 LEU B 684 14.574 127.647 -19.915 1.00 22.07 H +ATOM 7984 HB2 LEU B 684 13.127 126.846 -20.244 1.00 22.07 H +ATOM 7985 HG LEU B 684 12.136 128.958 -21.182 1.00 22.89 H +ATOM 7986 HD11 LEU B 684 11.928 130.066 -18.977 1.00 22.53 H +ATOM 7987 HD12 LEU B 684 11.804 128.296 -18.839 1.00 22.53 H +ATOM 7988 HD13 LEU B 684 13.312 129.121 -18.379 1.00 22.53 H +ATOM 7989 HD21 LEU B 684 13.339 131.083 -20.785 1.00 22.24 H +ATOM 7990 HD22 LEU B 684 14.756 130.171 -20.214 1.00 22.24 H +ATOM 7991 HD23 LEU B 684 14.231 130.030 -21.909 1.00 22.24 H +ATOM 7992 N LYS B 685 14.487 124.879 -22.484 1.00 22.54 N +ATOM 7993 CA LYS B 685 15.096 123.550 -22.426 1.00 23.66 C +ATOM 7994 C LYS B 685 16.391 123.417 -23.227 1.00 24.48 C +ATOM 7995 O LYS B 685 16.418 123.693 -24.426 1.00 24.23 O +ATOM 7996 CB LYS B 685 14.093 122.499 -22.914 1.00 24.12 C +ATOM 7997 CG LYS B 685 14.629 121.065 -22.943 1.00 24.25 C +ATOM 7998 CD LYS B 685 14.935 120.555 -21.542 1.00 25.32 C +ATOM 7999 CE LYS B 685 15.538 119.146 -21.562 1.00 25.43 C +ATOM 8000 NZ LYS B 685 14.607 118.126 -22.119 1.00 25.35 N1+ +ATOM 8001 H LYS B 685 13.617 124.974 -22.988 1.00 22.54 H +ATOM 8002 HA LYS B 685 15.325 123.334 -21.382 1.00 23.66 H +ATOM 8003 HB3 LYS B 685 13.739 122.772 -23.908 1.00 24.12 H +ATOM 8004 HB2 LYS B 685 13.199 122.537 -22.291 1.00 24.12 H +ATOM 8005 HG3 LYS B 685 15.535 121.029 -23.548 1.00 24.25 H +ATOM 8006 HG2 LYS B 685 13.894 120.412 -23.414 1.00 24.25 H +ATOM 8007 HD3 LYS B 685 14.019 120.549 -20.950 1.00 25.32 H +ATOM 8008 HD2 LYS B 685 15.627 121.239 -21.051 1.00 25.32 H +ATOM 8009 HE3 LYS B 685 15.825 118.861 -20.551 1.00 25.43 H +ATOM 8010 HE2 LYS B 685 16.458 119.155 -22.147 1.00 25.43 H +ATOM 8011 HZ1 LYS B 685 13.686 118.260 -21.728 1.00 25.35 H +ATOM 8012 HZ2 LYS B 685 14.563 118.222 -23.124 1.00 25.35 H +ATOM 8013 HZ3 LYS B 685 14.940 117.202 -21.885 1.00 25.35 H +ATOM 8014 N GLN B 686 17.451 122.978 -22.552 1.00 24.65 N +ATOM 8015 CA GLN B 686 18.762 122.780 -23.170 1.00 26.01 C +ATOM 8016 C GLN B 686 18.919 121.316 -23.598 1.00 26.48 C +ATOM 8017 O GLN B 686 18.279 120.425 -23.040 1.00 26.09 O +ATOM 8018 CB GLN B 686 19.873 123.136 -22.175 1.00 26.28 C +ATOM 8019 CG GLN B 686 19.772 124.545 -21.621 1.00 27.55 C +ATOM 8020 CD GLN B 686 19.986 125.601 -22.687 1.00 29.11 C +ATOM 8021 OE1 GLN B 686 21.119 125.871 -23.090 1.00 28.54 O +ATOM 8022 NE2 GLN B 686 18.891 126.201 -23.159 1.00 29.70 N +ATOM 8023 H GLN B 686 17.371 122.766 -21.568 1.00 24.65 H +ATOM 8024 HA GLN B 686 18.846 123.421 -24.047 1.00 26.01 H +ATOM 8025 HB3 GLN B 686 20.843 123.004 -22.655 1.00 26.28 H +ATOM 8026 HB2 GLN B 686 19.863 122.422 -21.352 1.00 26.28 H +ATOM 8027 HG3 GLN B 686 20.508 124.676 -20.828 1.00 27.55 H +ATOM 8028 HG2 GLN B 686 18.793 124.685 -21.163 1.00 27.55 H +ATOM 8029 HE22 GLN B 686 18.972 126.913 -23.871 1.00 29.70 H +ATOM 8030 HE21 GLN B 686 17.981 125.942 -22.805 1.00 29.70 H +ATOM 8031 N PRO B 687 19.778 121.050 -24.592 1.00 27.17 N +ATOM 8032 CA PRO B 687 19.975 119.672 -25.049 1.00 27.31 C +ATOM 8033 C PRO B 687 20.604 118.721 -24.020 1.00 26.96 C +ATOM 8034 O PRO B 687 20.421 117.509 -24.111 1.00 27.32 O +ATOM 8035 CB PRO B 687 20.825 119.844 -26.310 1.00 27.82 C +ATOM 8036 CG PRO B 687 21.572 121.111 -26.057 1.00 28.24 C +ATOM 8037 CD PRO B 687 20.517 121.997 -25.446 1.00 27.77 C +ATOM 8038 HA PRO B 687 19.006 119.267 -25.342 1.00 27.31 H +ATOM 8039 HB3 PRO B 687 20.170 119.977 -27.171 1.00 27.82 H +ATOM 8040 HB2 PRO B 687 21.532 119.017 -26.383 1.00 27.82 H +ATOM 8041 HG3 PRO B 687 21.891 121.536 -27.009 1.00 28.24 H +ATOM 8042 HG2 PRO B 687 22.355 120.926 -25.322 1.00 28.24 H +ATOM 8043 HD2 PRO B 687 20.998 122.746 -24.818 1.00 27.77 H +ATOM 8044 HD3 PRO B 687 19.856 122.362 -26.232 1.00 27.77 H +ATOM 8045 N ASP B 688 21.322 119.260 -23.037 1.00 26.69 N +ATOM 8046 CA ASP B 688 21.947 118.418 -22.014 1.00 25.82 C +ATOM 8047 C ASP B 688 20.985 118.082 -20.867 1.00 25.27 C +ATOM 8048 O ASP B 688 21.378 117.470 -19.869 1.00 25.37 O +ATOM 8049 CB ASP B 688 23.211 119.092 -21.460 1.00 25.84 C +ATOM 8050 CG ASP B 688 22.914 120.338 -20.650 1.00 26.35 C +ATOM 8051 OD1 ASP B 688 23.875 120.936 -20.116 1.00 26.01 O +ATOM 8052 OD2 ASP B 688 21.731 120.725 -20.537 1.00 27.14 O1- +ATOM 8053 H ASP B 688 21.441 120.262 -22.989 1.00 26.69 H +ATOM 8054 HA ASP B 688 22.246 117.482 -22.486 1.00 25.82 H +ATOM 8055 HB3 ASP B 688 23.876 119.347 -22.286 1.00 25.84 H +ATOM 8056 HB2 ASP B 688 23.760 118.381 -20.843 1.00 25.84 H +ATOM 8057 N GLY B 689 19.725 118.489 -21.017 1.00 24.26 N +ATOM 8058 CA GLY B 689 18.726 118.207 -20.000 1.00 23.73 C +ATOM 8059 C GLY B 689 18.428 119.324 -19.011 1.00 23.08 C +ATOM 8060 O GLY B 689 17.438 119.259 -18.274 1.00 23.10 O +ATOM 8061 H GLY B 689 19.454 119.000 -21.845 1.00 24.26 H +ATOM 8062 HA3 GLY B 689 19.014 117.310 -19.453 1.00 23.73 H +ATOM 8063 HA2 GLY B 689 17.799 117.899 -20.484 1.00 23.73 H +ATOM 8064 N SER B 690 19.272 120.351 -18.987 1.00 22.12 N +ATOM 8065 CA SER B 690 19.079 121.465 -18.060 1.00 21.40 C +ATOM 8066 C SER B 690 18.149 122.528 -18.633 1.00 21.14 C +ATOM 8067 O SER B 690 17.787 122.483 -19.805 1.00 21.20 O +ATOM 8068 CB SER B 690 20.427 122.109 -17.721 1.00 21.42 C +ATOM 8069 OG SER B 690 20.977 122.762 -18.857 1.00 21.95 O +ATOM 8070 H SER B 690 20.062 120.370 -19.616 1.00 22.12 H +ATOM 8071 HA SER B 690 18.639 121.078 -17.140 1.00 21.40 H +ATOM 8072 HB3 SER B 690 21.119 121.342 -17.373 1.00 21.42 H +ATOM 8073 HB2 SER B 690 20.292 122.832 -16.917 1.00 21.42 H +ATOM 8074 HG SER B 690 21.266 122.106 -19.495 1.00 21.95 H +ATOM 8075 N PHE B 691 17.764 123.482 -17.794 1.00 20.70 N +ATOM 8076 CA PHE B 691 16.898 124.571 -18.219 1.00 21.11 C +ATOM 8077 C PHE B 691 17.528 125.917 -17.880 1.00 21.49 C +ATOM 8078 O PHE B 691 18.264 126.037 -16.903 1.00 21.49 O +ATOM 8079 CB PHE B 691 15.537 124.513 -17.512 1.00 21.13 C +ATOM 8080 CG PHE B 691 14.637 123.410 -17.984 1.00 21.25 C +ATOM 8081 CD1 PHE B 691 14.833 122.098 -17.562 1.00 21.00 C +ATOM 8082 CD2 PHE B 691 13.566 123.690 -18.827 1.00 21.09 C +ATOM 8083 CE1 PHE B 691 13.972 121.081 -17.970 1.00 21.99 C +ATOM 8084 CE2 PHE B 691 12.694 122.678 -19.243 1.00 21.28 C +ATOM 8085 CZ PHE B 691 12.898 121.371 -18.813 1.00 21.38 C +ATOM 8086 H PHE B 691 18.073 123.464 -16.832 1.00 20.70 H +ATOM 8087 HA PHE B 691 16.745 124.507 -19.296 1.00 21.11 H +ATOM 8088 HB3 PHE B 691 15.028 125.470 -17.630 1.00 21.13 H +ATOM 8089 HB2 PHE B 691 15.692 124.418 -16.437 1.00 21.13 H +ATOM 8090 HD1 PHE B 691 15.660 121.858 -16.911 1.00 21.00 H +ATOM 8091 HD2 PHE B 691 13.398 124.700 -19.170 1.00 21.09 H +ATOM 8092 HE1 PHE B 691 14.136 120.068 -17.635 1.00 21.99 H +ATOM 8093 HE2 PHE B 691 11.866 122.912 -19.896 1.00 21.28 H +ATOM 8094 HZ PHE B 691 12.230 120.583 -19.127 1.00 21.38 H +ATOM 8095 N LEU B 692 17.241 126.923 -18.700 1.00 21.61 N +ATOM 8096 CA LEU B 692 17.712 128.278 -18.439 1.00 21.35 C +ATOM 8097 C LEU B 692 16.701 128.832 -17.431 1.00 21.77 C +ATOM 8098 O LEU B 692 15.535 128.424 -17.449 1.00 21.15 O +ATOM 8099 CB LEU B 692 17.644 129.139 -19.704 1.00 20.80 C +ATOM 8100 CG LEU B 692 18.452 128.768 -20.949 1.00 21.49 C +ATOM 8101 CD1 LEU B 692 18.202 129.829 -22.024 1.00 20.69 C +ATOM 8102 CD2 LEU B 692 19.938 128.680 -20.614 1.00 20.39 C +ATOM 8103 H LEU B 692 16.685 126.758 -19.527 1.00 21.61 H +ATOM 8104 HA LEU B 692 18.719 128.271 -18.022 1.00 21.35 H +ATOM 8105 HB3 LEU B 692 17.861 130.174 -19.439 1.00 20.80 H +ATOM 8106 HB2 LEU B 692 16.599 129.267 -19.988 1.00 20.80 H +ATOM 8107 HG LEU B 692 18.113 127.800 -21.318 1.00 21.49 H +ATOM 8108 HD11 LEU B 692 18.771 129.580 -22.920 1.00 20.69 H +ATOM 8109 HD12 LEU B 692 17.140 129.859 -22.266 1.00 20.69 H +ATOM 8110 HD13 LEU B 692 18.517 130.804 -21.653 1.00 20.69 H +ATOM 8111 HD21 LEU B 692 20.498 128.415 -21.511 1.00 20.39 H +ATOM 8112 HD22 LEU B 692 20.284 129.644 -20.241 1.00 20.39 H +ATOM 8113 HD23 LEU B 692 20.094 127.919 -19.850 1.00 20.39 H +ATOM 8114 N MET B 693 17.127 129.744 -16.559 1.00 22.34 N +ATOM 8115 CA MET B 693 16.200 130.345 -15.594 1.00 23.37 C +ATOM 8116 C MET B 693 15.222 131.269 -16.337 1.00 23.83 C +ATOM 8117 O MET B 693 14.085 131.468 -15.906 1.00 23.92 O +ATOM 8118 CB MET B 693 16.958 131.150 -14.531 1.00 23.80 C +ATOM 8119 CG MET B 693 17.650 130.306 -13.461 1.00 24.46 C +ATOM 8120 SD MET B 693 16.521 129.210 -12.556 1.00 26.43 S +ATOM 8121 CE MET B 693 15.488 130.379 -11.733 1.00 25.29 C +ATOM 8122 H MET B 693 18.096 130.028 -16.558 1.00 22.34 H +ATOM 8123 HA MET B 693 15.636 129.552 -15.102 1.00 23.37 H +ATOM 8124 HB3 MET B 693 16.273 131.850 -14.052 1.00 23.80 H +ATOM 8125 HB2 MET B 693 17.695 131.788 -15.020 1.00 23.80 H +ATOM 8126 HG3 MET B 693 18.159 130.963 -12.755 1.00 24.46 H +ATOM 8127 HG2 MET B 693 18.439 129.712 -13.922 1.00 24.46 H +ATOM 8128 HE1 MET B 693 14.744 129.851 -11.137 1.00 25.29 H +ATOM 8129 HE2 MET B 693 16.096 131.006 -11.081 1.00 25.29 H +ATOM 8130 HE3 MET B 693 14.985 131.004 -12.471 1.00 25.29 H +ATOM 8131 N HIS B 694 15.692 131.834 -17.448 1.00 23.67 N +ATOM 8132 CA HIS B 694 14.900 132.719 -18.303 1.00 23.95 C +ATOM 8133 C HIS B 694 15.654 132.891 -19.616 1.00 23.72 C +ATOM 8134 O HIS B 694 16.806 132.466 -19.732 1.00 23.69 O +ATOM 8135 CB HIS B 694 14.657 134.078 -17.625 1.00 23.77 C +ATOM 8136 CG HIS B 694 15.894 134.898 -17.425 1.00 24.33 C +ATOM 8137 ND1 HIS B 694 16.233 135.948 -18.253 1.00 24.07 N +ATOM 8138 CD2 HIS B 694 16.860 134.841 -16.477 1.00 24.28 C +ATOM 8139 CE1 HIS B 694 17.351 136.503 -17.822 1.00 24.36 C +ATOM 8140 NE2 HIS B 694 17.752 135.850 -16.745 1.00 24.49 N +ATOM 8141 H HIS B 694 16.643 131.661 -17.740 1.00 23.67 H +ATOM 8142 HA HIS B 694 13.938 132.247 -18.506 1.00 23.95 H +ATOM 8143 HB3 HIS B 694 14.169 133.920 -16.664 1.00 23.77 H +ATOM 8144 HB2 HIS B 694 13.936 134.649 -18.210 1.00 23.77 H +ATOM 8145 HD1 HIS B 694 15.648 136.176 -19.044 1.00 24.07 H +ATOM 8146 HD2 HIS B 694 16.815 134.087 -15.705 1.00 24.28 H +ATOM 8147 HE1 HIS B 694 17.772 137.348 -18.347 1.00 24.36 H +ATOM 8148 N VAL B 695 15.012 133.496 -20.609 1.00 23.99 N +ATOM 8149 CA VAL B 695 15.656 133.683 -21.909 1.00 24.37 C +ATOM 8150 C VAL B 695 16.957 134.451 -21.729 1.00 24.59 C +ATOM 8151 O VAL B 695 16.988 135.495 -21.075 1.00 24.58 O +ATOM 8152 CB VAL B 695 14.727 134.438 -22.900 1.00 24.30 C +ATOM 8153 CG1 VAL B 695 15.415 134.600 -24.250 1.00 24.22 C +ATOM 8154 CG2 VAL B 695 13.424 133.670 -23.067 1.00 23.16 C +ATOM 8155 H VAL B 695 14.070 133.833 -20.470 1.00 23.99 H +ATOM 8156 HA VAL B 695 15.886 132.703 -22.327 1.00 24.37 H +ATOM 8157 HB VAL B 695 14.506 135.426 -22.495 1.00 24.30 H +ATOM 8158 HG11 VAL B 695 14.753 135.130 -24.934 1.00 24.22 H +ATOM 8159 HG12 VAL B 695 16.337 135.168 -24.123 1.00 24.22 H +ATOM 8160 HG13 VAL B 695 15.648 133.617 -24.659 1.00 24.22 H +ATOM 8161 HG21 VAL B 695 12.775 134.202 -23.762 1.00 23.16 H +ATOM 8162 HG22 VAL B 695 13.636 132.675 -23.458 1.00 23.16 H +ATOM 8163 HG23 VAL B 695 12.927 133.582 -22.101 1.00 23.16 H +ATOM 8164 N GLY B 696 18.036 133.921 -22.297 1.00 25.05 N +ATOM 8165 CA GLY B 696 19.329 134.563 -22.160 1.00 25.37 C +ATOM 8166 C GLY B 696 19.800 134.569 -20.715 1.00 26.26 C +ATOM 8167 O GLY B 696 20.664 135.366 -20.344 1.00 26.87 O +ATOM 8168 H GLY B 696 17.958 133.065 -22.829 1.00 25.05 H +ATOM 8169 HA3 GLY B 696 19.266 135.588 -22.525 1.00 25.37 H +ATOM 8170 HA2 GLY B 696 20.060 134.041 -22.777 1.00 25.37 H +ATOM 8171 N GLY B 697 19.240 133.677 -19.897 1.00 26.02 N +ATOM 8172 CA GLY B 697 19.611 133.619 -18.494 1.00 25.14 C +ATOM 8173 C GLY B 697 20.539 132.480 -18.111 1.00 25.30 C +ATOM 8174 O GLY B 697 20.899 131.650 -18.941 1.00 25.39 O +ATOM 8175 H GLY B 697 18.549 133.031 -20.251 1.00 26.02 H +ATOM 8176 HA3 GLY B 697 18.709 133.569 -17.885 1.00 25.14 H +ATOM 8177 HA2 GLY B 697 20.064 134.567 -18.202 1.00 25.14 H +ATOM 8178 N GLU B 698 20.907 132.439 -16.834 1.00 25.02 N +ATOM 8179 CA GLU B 698 21.812 131.428 -16.293 1.00 25.04 C +ATOM 8180 C GLU B 698 21.120 130.092 -16.027 1.00 24.87 C +ATOM 8181 O GLU B 698 19.895 130.032 -15.876 1.00 24.48 O +ATOM 8182 CB GLU B 698 22.430 131.929 -14.974 1.00 25.63 C +ATOM 8183 CG GLU B 698 21.485 131.891 -13.750 1.00 27.07 C +ATOM 8184 CD GLU B 698 20.479 133.047 -13.701 1.00 28.56 C +ATOM 8185 OE1 GLU B 698 20.303 133.746 -14.724 1.00 29.68 O +ATOM 8186 OE2 GLU B 698 19.852 133.252 -12.637 1.00 29.02 O1- +ATOM 8187 H GLU B 698 20.558 133.130 -16.185 1.00 25.02 H +ATOM 8188 HA GLU B 698 22.616 131.264 -17.011 1.00 25.04 H +ATOM 8189 HB3 GLU B 698 22.800 132.945 -15.113 1.00 25.63 H +ATOM 8190 HB2 GLU B 698 23.328 131.351 -14.754 1.00 25.63 H +ATOM 8191 HG3 GLU B 698 22.078 131.889 -12.836 1.00 27.07 H +ATOM 8192 HG2 GLU B 698 20.947 130.943 -13.738 1.00 27.07 H +ATOM 8193 N VAL B 699 21.904 129.019 -15.977 1.00 24.31 N +ATOM 8194 CA VAL B 699 21.327 127.714 -15.677 1.00 24.78 C +ATOM 8195 C VAL B 699 21.942 127.095 -14.424 1.00 24.32 C +ATOM 8196 O VAL B 699 23.149 127.194 -14.188 1.00 24.33 O +ATOM 8197 CB VAL B 699 21.463 126.703 -16.866 1.00 25.40 C +ATOM 8198 CG1 VAL B 699 22.009 127.399 -18.092 1.00 26.26 C +ATOM 8199 CG2 VAL B 699 22.331 125.517 -16.475 1.00 25.55 C +ATOM 8200 H VAL B 699 22.896 129.110 -16.147 1.00 24.31 H +ATOM 8201 HA VAL B 699 20.264 127.859 -15.486 1.00 24.78 H +ATOM 8202 HB VAL B 699 20.468 126.328 -17.106 1.00 25.40 H +ATOM 8203 HG11 VAL B 699 22.097 126.682 -18.908 1.00 26.26 H +ATOM 8204 HG12 VAL B 699 21.333 128.202 -18.385 1.00 26.26 H +ATOM 8205 HG13 VAL B 699 22.991 127.815 -17.867 1.00 26.26 H +ATOM 8206 HG21 VAL B 699 22.410 124.830 -17.317 1.00 25.55 H +ATOM 8207 HG22 VAL B 699 23.325 125.869 -16.200 1.00 25.55 H +ATOM 8208 HG23 VAL B 699 21.881 125.001 -15.627 1.00 25.55 H +ATOM 8209 N ASP B 700 21.079 126.496 -13.610 1.00 23.27 N +ATOM 8210 CA ASP B 700 21.464 125.783 -12.398 1.00 22.88 C +ATOM 8211 C ASP B 700 20.256 124.923 -12.011 1.00 22.65 C +ATOM 8212 O ASP B 700 19.195 125.038 -12.629 1.00 22.43 O +ATOM 8213 CB ASP B 700 21.910 126.740 -11.271 1.00 22.58 C +ATOM 8214 CG ASP B 700 20.836 127.722 -10.855 1.00 22.65 C +ATOM 8215 OD1 ASP B 700 19.771 127.283 -10.372 1.00 22.60 O +ATOM 8216 OD2 ASP B 700 21.068 128.943 -11.002 1.00 23.25 O1- +ATOM 8217 H ASP B 700 20.091 126.519 -13.816 1.00 23.27 H +ATOM 8218 HA ASP B 700 22.296 125.121 -12.638 1.00 22.88 H +ATOM 8219 HB3 ASP B 700 22.797 127.287 -11.591 1.00 22.58 H +ATOM 8220 HB2 ASP B 700 22.222 126.157 -10.405 1.00 22.58 H +ATOM 8221 N VAL B 701 20.411 124.057 -11.013 1.00 22.03 N +ATOM 8222 CA VAL B 701 19.338 123.141 -10.627 1.00 21.81 C +ATOM 8223 C VAL B 701 17.985 123.762 -10.282 1.00 21.01 C +ATOM 8224 O VAL B 701 16.956 123.102 -10.417 1.00 20.60 O +ATOM 8225 CB VAL B 701 19.769 122.230 -9.456 1.00 22.53 C +ATOM 8226 CG1 VAL B 701 18.908 120.972 -9.441 1.00 22.84 C +ATOM 8227 CG2 VAL B 701 21.232 121.845 -9.605 1.00 24.72 C +ATOM 8228 H VAL B 701 21.283 124.023 -10.505 1.00 22.03 H +ATOM 8229 HA VAL B 701 19.168 122.486 -11.482 1.00 21.81 H +ATOM 8230 HB VAL B 701 19.634 122.767 -8.518 1.00 22.53 H +ATOM 8231 HG11 VAL B 701 19.214 120.332 -8.614 1.00 22.84 H +ATOM 8232 HG12 VAL B 701 17.861 121.250 -9.317 1.00 22.84 H +ATOM 8233 HG13 VAL B 701 19.032 120.435 -10.381 1.00 22.84 H +ATOM 8234 HG21 VAL B 701 21.525 121.203 -8.775 1.00 24.72 H +ATOM 8235 HG22 VAL B 701 21.374 121.311 -10.544 1.00 24.72 H +ATOM 8236 HG23 VAL B 701 21.847 122.745 -9.603 1.00 24.72 H +ATOM 8237 N ARG B 702 17.975 125.013 -9.832 1.00 20.37 N +ATOM 8238 CA ARG B 702 16.712 125.670 -9.507 1.00 20.31 C +ATOM 8239 C ARG B 702 15.735 125.634 -10.688 1.00 20.33 C +ATOM 8240 O ARG B 702 14.535 125.430 -10.498 1.00 20.83 O +ATOM 8241 CB ARG B 702 16.941 127.132 -9.111 1.00 19.61 C +ATOM 8242 CG ARG B 702 17.703 127.349 -7.808 1.00 19.86 C +ATOM 8243 CD ARG B 702 17.975 128.835 -7.625 1.00 20.29 C +ATOM 8244 NE ARG B 702 18.636 129.370 -8.812 1.00 20.67 N +ATOM 8245 CZ ARG B 702 18.572 130.637 -9.214 1.00 21.10 C +ATOM 8246 NH1 ARG B 702 17.871 131.530 -8.522 1.00 20.04 N +ATOM 8247 NH2 ARG B 702 19.195 131.001 -10.327 1.00 19.75 N1+ +ATOM 8248 H ARG B 702 18.844 125.514 -9.714 1.00 20.37 H +ATOM 8249 HA ARG B 702 16.257 125.150 -8.664 1.00 20.31 H +ATOM 8250 HB3 ARG B 702 15.981 127.645 -9.057 1.00 19.61 H +ATOM 8251 HB2 ARG B 702 17.458 127.647 -9.921 1.00 19.61 H +ATOM 8252 HG3 ARG B 702 18.649 126.809 -7.846 1.00 19.86 H +ATOM 8253 HG2 ARG B 702 17.105 126.984 -6.972 1.00 19.86 H +ATOM 8254 HD3 ARG B 702 18.615 128.983 -6.755 1.00 20.29 H +ATOM 8255 HD2 ARG B 702 17.033 129.360 -7.467 1.00 20.29 H +ATOM 8256 HE ARG B 702 19.173 128.698 -9.342 1.00 20.67 H +ATOM 8257 HH12 ARG B 702 17.828 132.490 -8.834 1.00 20.04 H +ATOM 8258 HH11 ARG B 702 17.382 131.249 -7.684 1.00 20.04 H +ATOM 8259 HH22 ARG B 702 19.152 131.960 -10.640 1.00 19.75 H +ATOM 8260 HH21 ARG B 702 19.713 130.318 -10.862 1.00 19.75 H +ATOM 8261 N SER B 703 16.247 125.825 -11.903 1.00 19.52 N +ATOM 8262 CA SER B 703 15.388 125.836 -13.086 1.00 19.77 C +ATOM 8263 C SER B 703 14.666 124.507 -13.302 1.00 19.83 C +ATOM 8264 O SER B 703 13.479 124.482 -13.625 1.00 19.92 O +ATOM 8265 CB SER B 703 16.201 126.176 -14.339 1.00 19.79 C +ATOM 8266 OG SER B 703 17.061 125.107 -14.693 1.00 20.46 O +ATOM 8267 H SER B 703 17.241 125.965 -12.016 1.00 19.52 H +ATOM 8268 HA SER B 703 14.635 126.612 -12.950 1.00 19.77 H +ATOM 8269 HB3 SER B 703 16.793 127.072 -14.156 1.00 19.79 H +ATOM 8270 HB2 SER B 703 15.522 126.384 -15.167 1.00 19.79 H +ATOM 8271 HG SER B 703 17.549 125.338 -15.487 1.00 20.46 H +ATOM 8272 N ALA B 704 15.381 123.401 -13.122 1.00 19.43 N +ATOM 8273 CA ALA B 704 14.778 122.090 -13.314 1.00 19.35 C +ATOM 8274 C ALA B 704 13.623 121.887 -12.343 1.00 18.90 C +ATOM 8275 O ALA B 704 12.577 121.349 -12.713 1.00 19.31 O +ATOM 8276 CB ALA B 704 15.823 120.991 -13.125 1.00 17.87 C +ATOM 8277 H ALA B 704 16.351 123.466 -12.849 1.00 19.43 H +ATOM 8278 HA ALA B 704 14.391 122.031 -14.332 1.00 19.35 H +ATOM 8279 HB1 ALA B 704 15.357 120.016 -13.272 1.00 17.87 H +ATOM 8280 HB2 ALA B 704 16.625 121.123 -13.851 1.00 17.87 H +ATOM 8281 HB3 ALA B 704 16.233 121.048 -12.117 1.00 17.87 H +ATOM 8282 N TYR B 705 13.815 122.308 -11.099 1.00 18.70 N +ATOM 8283 CA TYR B 705 12.768 122.161 -10.093 1.00 18.71 C +ATOM 8284 C TYR B 705 11.581 123.064 -10.412 1.00 18.39 C +ATOM 8285 O TYR B 705 10.441 122.622 -10.366 1.00 18.70 O +ATOM 8286 CB TYR B 705 13.306 122.485 -8.690 1.00 18.61 C +ATOM 8287 CG TYR B 705 12.212 122.605 -7.644 1.00 18.28 C +ATOM 8288 CD1 TYR B 705 11.437 121.499 -7.279 1.00 18.26 C +ATOM 8289 CD2 TYR B 705 11.927 123.838 -7.047 1.00 18.57 C +ATOM 8290 CE1 TYR B 705 10.402 121.620 -6.343 1.00 18.36 C +ATOM 8291 CE2 TYR B 705 10.902 123.971 -6.117 1.00 18.46 C +ATOM 8292 CZ TYR B 705 10.142 122.861 -5.769 1.00 18.97 C +ATOM 8293 OH TYR B 705 9.119 123.007 -4.864 1.00 18.56 O +ATOM 8294 H TYR B 705 14.693 122.735 -10.840 1.00 18.70 H +ATOM 8295 HA TYR B 705 12.426 121.126 -10.101 1.00 18.71 H +ATOM 8296 HB3 TYR B 705 13.875 123.414 -8.726 1.00 18.61 H +ATOM 8297 HB2 TYR B 705 14.014 121.714 -8.386 1.00 18.61 H +ATOM 8298 HD1 TYR B 705 11.633 120.533 -7.720 1.00 18.26 H +ATOM 8299 HD2 TYR B 705 12.508 124.710 -7.306 1.00 18.57 H +ATOM 8300 HE1 TYR B 705 9.814 120.755 -6.073 1.00 18.36 H +ATOM 8301 HE2 TYR B 705 10.700 124.933 -5.670 1.00 18.46 H +ATOM 8302 HH TYR B 705 8.870 122.146 -4.520 1.00 18.56 H +ATOM 8303 N CYS B 706 11.845 124.331 -10.730 1.00 18.65 N +ATOM 8304 CA CYS B 706 10.767 125.265 -11.053 1.00 19.21 C +ATOM 8305 C CYS B 706 9.925 124.743 -12.220 1.00 19.41 C +ATOM 8306 O CYS B 706 8.689 124.795 -12.175 1.00 19.67 O +ATOM 8307 CB CYS B 706 11.332 126.647 -11.400 1.00 19.15 C +ATOM 8308 SG CYS B 706 12.003 127.572 -9.986 1.00 20.86 S +ATOM 8309 H CYS B 706 12.800 124.658 -10.749 1.00 18.65 H +ATOM 8310 HA CYS B 706 10.123 125.364 -10.179 1.00 19.21 H +ATOM 8311 HB3 CYS B 706 10.558 127.242 -11.885 1.00 19.15 H +ATOM 8312 HB2 CYS B 706 12.105 126.541 -12.161 1.00 19.15 H +ATOM 8313 HG CYS B 706 13.209 127.091 -9.670 1.00 20.86 H +ATOM 8314 N ALA B 707 10.590 124.235 -13.256 1.00 19.25 N +ATOM 8315 CA ALA B 707 9.886 123.700 -14.421 1.00 19.41 C +ATOM 8316 C ALA B 707 9.072 122.449 -14.070 1.00 19.48 C +ATOM 8317 O ALA B 707 7.891 122.352 -14.410 1.00 19.35 O +ATOM 8318 CB ALA B 707 10.888 123.387 -15.555 1.00 18.58 C +ATOM 8319 H ALA B 707 11.600 124.213 -13.247 1.00 19.25 H +ATOM 8320 HA ALA B 707 9.196 124.464 -14.780 1.00 19.41 H +ATOM 8321 HB1 ALA B 707 10.351 122.990 -16.416 1.00 18.58 H +ATOM 8322 HB2 ALA B 707 11.409 124.300 -15.842 1.00 18.58 H +ATOM 8323 HB3 ALA B 707 11.612 122.650 -15.207 1.00 18.58 H +ATOM 8324 N ALA B 708 9.693 121.494 -13.381 1.00 19.84 N +ATOM 8325 CA ALA B 708 8.986 120.262 -13.015 1.00 19.99 C +ATOM 8326 C ALA B 708 7.812 120.554 -12.093 1.00 20.06 C +ATOM 8327 O ALA B 708 6.759 119.919 -12.192 1.00 20.91 O +ATOM 8328 CB ALA B 708 9.946 119.268 -12.342 1.00 19.83 C +ATOM 8329 H ALA B 708 10.657 121.616 -13.106 1.00 19.84 H +ATOM 8330 HA ALA B 708 8.601 119.804 -13.926 1.00 19.99 H +ATOM 8331 HB1 ALA B 708 9.403 118.360 -12.077 1.00 19.83 H +ATOM 8332 HB2 ALA B 708 10.754 119.020 -13.030 1.00 19.83 H +ATOM 8333 HB3 ALA B 708 10.362 119.717 -11.440 1.00 19.83 H +ATOM 8334 N SER B 709 7.986 121.516 -11.193 1.00 19.56 N +ATOM 8335 CA SER B 709 6.917 121.862 -10.271 1.00 20.32 C +ATOM 8336 C SER B 709 5.688 122.408 -10.999 1.00 20.17 C +ATOM 8337 O SER B 709 4.594 121.864 -10.865 1.00 20.03 O +ATOM 8338 CB SER B 709 7.398 122.892 -9.248 1.00 20.53 C +ATOM 8339 OG SER B 709 6.338 123.272 -8.385 1.00 20.44 O +ATOM 8340 H SER B 709 8.865 122.011 -11.146 1.00 19.56 H +ATOM 8341 HA SER B 709 6.623 120.959 -9.735 1.00 20.32 H +ATOM 8342 HB3 SER B 709 7.776 123.771 -9.769 1.00 20.53 H +ATOM 8343 HB2 SER B 709 8.211 122.466 -8.659 1.00 20.53 H +ATOM 8344 HG SER B 709 6.003 124.132 -8.649 1.00 20.44 H +ATOM 8345 N VAL B 710 5.865 123.477 -11.770 1.00 20.15 N +ATOM 8346 CA VAL B 710 4.732 124.065 -12.472 1.00 20.71 C +ATOM 8347 C VAL B 710 4.137 123.145 -13.534 1.00 20.94 C +ATOM 8348 O VAL B 710 2.925 123.126 -13.718 1.00 21.06 O +ATOM 8349 CB VAL B 710 5.091 125.429 -13.143 1.00 20.02 C +ATOM 8350 CG1 VAL B 710 5.607 126.401 -12.097 1.00 20.60 C +ATOM 8351 CG2 VAL B 710 6.115 125.230 -14.250 1.00 19.85 C +ATOM 8352 H VAL B 710 6.785 123.882 -11.869 1.00 20.15 H +ATOM 8353 HA VAL B 710 3.954 124.259 -11.734 1.00 20.71 H +ATOM 8354 HB VAL B 710 4.185 125.845 -13.582 1.00 20.02 H +ATOM 8355 HG11 VAL B 710 5.855 127.349 -12.573 1.00 20.60 H +ATOM 8356 HG12 VAL B 710 4.838 126.564 -11.341 1.00 20.60 H +ATOM 8357 HG13 VAL B 710 6.498 125.988 -11.624 1.00 20.60 H +ATOM 8358 HG21 VAL B 710 6.351 126.192 -14.705 1.00 19.85 H +ATOM 8359 HG22 VAL B 710 7.022 124.793 -13.833 1.00 19.85 H +ATOM 8360 HG23 VAL B 710 5.706 124.561 -15.008 1.00 19.85 H +ATOM 8361 N ALA B 711 4.981 122.377 -14.220 1.00 21.51 N +ATOM 8362 CA ALA B 711 4.506 121.478 -15.273 1.00 21.88 C +ATOM 8363 C ALA B 711 3.670 120.309 -14.746 1.00 22.32 C +ATOM 8364 O ALA B 711 2.657 119.944 -15.344 1.00 22.21 O +ATOM 8365 CB ALA B 711 5.688 120.948 -16.083 1.00 21.61 C +ATOM 8366 H ALA B 711 5.970 122.407 -14.017 1.00 21.51 H +ATOM 8367 HA ALA B 711 3.876 122.059 -15.946 1.00 21.88 H +ATOM 8368 HB1 ALA B 711 5.324 120.280 -16.864 1.00 21.61 H +ATOM 8369 HB2 ALA B 711 6.220 121.783 -16.539 1.00 21.61 H +ATOM 8370 HB3 ALA B 711 6.365 120.402 -15.426 1.00 21.61 H +ATOM 8371 N SER B 712 4.098 119.714 -13.636 1.00 22.19 N +ATOM 8372 CA SER B 712 3.363 118.596 -13.061 1.00 22.43 C +ATOM 8373 C SER B 712 2.049 119.090 -12.460 1.00 22.27 C +ATOM 8374 O SER B 712 1.007 118.470 -12.652 1.00 21.80 O +ATOM 8375 CB SER B 712 4.201 117.885 -11.990 1.00 22.99 C +ATOM 8376 OG SER B 712 4.515 118.754 -10.917 1.00 24.80 O +ATOM 8377 H SER B 712 4.941 120.037 -13.183 1.00 22.19 H +ATOM 8378 HA SER B 712 3.136 117.884 -13.854 1.00 22.43 H +ATOM 8379 HB3 SER B 712 5.123 117.514 -12.438 1.00 22.99 H +ATOM 8380 HB2 SER B 712 3.650 117.024 -11.611 1.00 22.99 H +ATOM 8381 HG SER B 712 5.016 119.503 -11.247 1.00 24.80 H +ATOM 8382 N LEU B 713 2.094 120.211 -11.744 1.00 22.45 N +ATOM 8383 CA LEU B 713 0.880 120.762 -11.149 1.00 22.99 C +ATOM 8384 C LEU B 713 -0.184 121.129 -12.187 1.00 23.39 C +ATOM 8385 O LEU B 713 -1.373 120.878 -11.980 1.00 23.15 O +ATOM 8386 CB LEU B 713 1.194 122.009 -10.318 1.00 22.55 C +ATOM 8387 CG LEU B 713 1.875 121.860 -8.951 1.00 23.64 C +ATOM 8388 CD1 LEU B 713 2.199 123.252 -8.399 1.00 21.88 C +ATOM 8389 CD2 LEU B 713 0.974 121.090 -7.986 1.00 22.34 C +ATOM 8390 H LEU B 713 2.974 120.689 -11.609 1.00 22.45 H +ATOM 8391 HA LEU B 713 0.458 120.009 -10.483 1.00 22.99 H +ATOM 8392 HB3 LEU B 713 0.282 122.593 -10.198 1.00 22.55 H +ATOM 8393 HB2 LEU B 713 1.771 122.705 -10.928 1.00 22.55 H +ATOM 8394 HG LEU B 713 2.806 121.307 -9.080 1.00 23.64 H +ATOM 8395 HD11 LEU B 713 2.683 123.155 -7.427 1.00 21.88 H +ATOM 8396 HD12 LEU B 713 2.867 123.771 -9.086 1.00 21.88 H +ATOM 8397 HD13 LEU B 713 1.277 123.824 -8.289 1.00 21.88 H +ATOM 8398 HD21 LEU B 713 1.472 120.994 -7.022 1.00 22.34 H +ATOM 8399 HD22 LEU B 713 0.035 121.628 -7.858 1.00 22.34 H +ATOM 8400 HD23 LEU B 713 0.771 120.098 -8.391 1.00 22.34 H +ATOM 8401 N THR B 714 0.239 121.720 -13.302 1.00 23.29 N +ATOM 8402 CA THR B 714 -0.712 122.143 -14.326 1.00 22.85 C +ATOM 8403 C THR B 714 -0.969 121.115 -15.421 1.00 23.33 C +ATOM 8404 O THR B 714 -1.673 121.399 -16.390 1.00 23.48 O +ATOM 8405 CB THR B 714 -0.263 123.464 -14.976 1.00 22.26 C +ATOM 8406 OG1 THR B 714 0.961 123.265 -15.697 1.00 21.70 O +ATOM 8407 CG2 THR B 714 -0.047 124.512 -13.906 1.00 21.77 C +ATOM 8408 H THR B 714 1.226 121.879 -13.446 1.00 23.29 H +ATOM 8409 HA THR B 714 -1.663 122.332 -13.829 1.00 22.85 H +ATOM 8410 HB THR B 714 -1.035 123.807 -15.665 1.00 22.26 H +ATOM 8411 HG1 THR B 714 1.692 123.207 -15.077 1.00 21.70 H +ATOM 8412 HG21 THR B 714 0.271 125.446 -14.370 1.00 21.77 H +ATOM 8413 HG22 THR B 714 -0.978 124.675 -13.363 1.00 21.77 H +ATOM 8414 HG23 THR B 714 0.722 124.171 -13.213 1.00 21.77 H +ATOM 8415 N ASN B 715 -0.400 119.926 -15.259 1.00 24.08 N +ATOM 8416 CA ASN B 715 -0.570 118.839 -16.223 1.00 24.79 C +ATOM 8417 C ASN B 715 -0.173 119.205 -17.660 1.00 25.08 C +ATOM 8418 O ASN B 715 -0.977 119.082 -18.588 1.00 25.05 O +ATOM 8419 CB ASN B 715 -2.023 118.340 -16.184 1.00 24.38 C +ATOM 8420 CG ASN B 715 -2.271 117.171 -17.128 1.00 25.19 C +ATOM 8421 OD1 ASN B 715 -1.454 116.257 -17.239 1.00 25.30 O +ATOM 8422 ND2 ASN B 715 -3.411 117.192 -17.802 1.00 25.02 N +ATOM 8423 H ASN B 715 0.174 119.747 -14.448 1.00 24.08 H +ATOM 8424 HA ASN B 715 0.069 118.015 -15.906 1.00 24.79 H +ATOM 8425 HB3 ASN B 715 -2.695 119.160 -16.438 1.00 24.38 H +ATOM 8426 HB2 ASN B 715 -2.276 118.043 -15.166 1.00 24.38 H +ATOM 8427 HD22 ASN B 715 -3.632 116.444 -18.445 1.00 25.02 H +ATOM 8428 HD21 ASN B 715 -4.059 117.956 -17.674 1.00 25.02 H +ATOM 8429 N ILE B 716 1.069 119.647 -17.844 1.00 25.39 N +ATOM 8430 CA ILE B 716 1.553 120.007 -19.175 1.00 25.60 C +ATOM 8431 C ILE B 716 2.849 119.281 -19.516 1.00 26.38 C +ATOM 8432 O ILE B 716 3.570 119.672 -20.431 1.00 26.11 O +ATOM 8433 CB ILE B 716 1.792 121.525 -19.309 1.00 25.61 C +ATOM 8434 CG1 ILE B 716 2.836 121.985 -18.290 1.00 24.47 C +ATOM 8435 CG2 ILE B 716 0.472 122.270 -19.143 1.00 25.25 C +ATOM 8436 CD1 ILE B 716 3.145 123.455 -18.375 1.00 23.62 C +ATOM 8437 H ILE B 716 1.694 119.738 -17.056 1.00 25.39 H +ATOM 8438 HA ILE B 716 0.797 119.715 -19.904 1.00 25.60 H +ATOM 8439 HB ILE B 716 2.176 121.725 -20.309 1.00 25.61 H +ATOM 8440 HG13 ILE B 716 3.754 121.413 -18.430 1.00 24.47 H +ATOM 8441 HG12 ILE B 716 2.491 121.745 -17.285 1.00 24.47 H +ATOM 8442 HG21 ILE B 716 0.645 123.342 -19.237 1.00 25.25 H +ATOM 8443 HG22 ILE B 716 -0.228 121.946 -19.912 1.00 25.25 H +ATOM 8444 HG23 ILE B 716 0.055 122.055 -18.159 1.00 25.25 H +ATOM 8445 HD11 ILE B 716 3.893 123.713 -17.625 1.00 23.62 H +ATOM 8446 HD12 ILE B 716 3.530 123.689 -19.367 1.00 23.62 H +ATOM 8447 HD13 ILE B 716 2.236 124.028 -18.194 1.00 23.62 H +ATOM 8448 N ILE B 717 3.138 118.217 -18.776 1.00 26.84 N +ATOM 8449 CA ILE B 717 4.346 117.444 -19.016 1.00 27.44 C +ATOM 8450 C ILE B 717 4.212 116.567 -20.253 1.00 28.57 C +ATOM 8451 O ILE B 717 3.259 115.800 -20.382 1.00 28.80 O +ATOM 8452 CB ILE B 717 4.682 116.531 -17.812 1.00 26.94 C +ATOM 8453 CG1 ILE B 717 5.043 117.387 -16.596 1.00 26.62 C +ATOM 8454 CG2 ILE B 717 5.837 115.587 -18.169 1.00 25.82 C +ATOM 8455 CD1 ILE B 717 5.373 116.576 -15.357 1.00 27.11 C +ATOM 8456 H ILE B 717 2.514 117.933 -18.034 1.00 26.84 H +ATOM 8457 HA ILE B 717 5.175 118.135 -19.169 1.00 27.44 H +ATOM 8458 HB ILE B 717 3.803 115.933 -17.570 1.00 26.94 H +ATOM 8459 HG13 ILE B 717 4.220 118.066 -16.374 1.00 26.62 H +ATOM 8460 HG12 ILE B 717 5.888 118.029 -16.843 1.00 26.62 H +ATOM 8461 HG21 ILE B 717 6.064 114.950 -17.314 1.00 25.82 H +ATOM 8462 HG22 ILE B 717 5.550 114.966 -19.018 1.00 25.82 H +ATOM 8463 HG23 ILE B 717 6.719 116.172 -18.429 1.00 25.82 H +ATOM 8464 HD11 ILE B 717 5.619 117.249 -14.536 1.00 27.11 H +ATOM 8465 HD12 ILE B 717 4.512 115.966 -15.081 1.00 27.11 H +ATOM 8466 HD13 ILE B 717 6.225 115.928 -15.563 1.00 27.11 H +ATOM 8467 N THR B 718 5.167 116.693 -21.166 1.00 29.45 N +ATOM 8468 CA THR B 718 5.174 115.882 -22.372 1.00 30.40 C +ATOM 8469 C THR B 718 6.313 114.896 -22.183 1.00 31.54 C +ATOM 8470 O THR B 718 7.188 115.105 -21.339 1.00 31.70 O +ATOM 8471 CB THR B 718 5.440 116.721 -23.645 1.00 30.48 C +ATOM 8472 OG1 THR B 718 6.712 117.372 -23.539 1.00 29.82 O +ATOM 8473 CG2 THR B 718 4.342 117.758 -23.844 1.00 30.43 C +ATOM 8474 H THR B 718 5.910 117.363 -21.030 1.00 29.45 H +ATOM 8475 HA THR B 718 4.229 115.348 -22.468 1.00 30.40 H +ATOM 8476 HB THR B 718 5.456 116.056 -24.508 1.00 30.48 H +ATOM 8477 HG1 THR B 718 6.967 117.719 -24.397 1.00 29.82 H +ATOM 8478 HG21 THR B 718 4.547 118.337 -24.744 1.00 30.43 H +ATOM 8479 HG22 THR B 718 3.381 117.255 -23.948 1.00 30.43 H +ATOM 8480 HG23 THR B 718 4.311 118.425 -22.982 1.00 30.43 H +ATOM 8481 N PRO B 719 6.321 113.802 -22.957 1.00 32.64 N +ATOM 8482 CA PRO B 719 7.387 112.802 -22.830 1.00 32.50 C +ATOM 8483 C PRO B 719 8.809 113.320 -23.069 1.00 32.31 C +ATOM 8484 O PRO B 719 9.757 112.801 -22.493 1.00 33.16 O +ATOM 8485 CB PRO B 719 6.974 111.734 -23.843 1.00 33.31 C +ATOM 8486 CG PRO B 719 6.226 112.522 -24.885 1.00 32.90 C +ATOM 8487 CD PRO B 719 5.381 113.433 -24.033 1.00 32.79 C +ATOM 8488 HA PRO B 719 7.339 112.369 -21.831 1.00 32.50 H +ATOM 8489 HB3 PRO B 719 6.292 111.030 -23.366 1.00 33.31 H +ATOM 8490 HB2 PRO B 719 7.867 111.300 -24.293 1.00 33.31 H +ATOM 8491 HG3 PRO B 719 5.576 111.849 -25.444 1.00 32.90 H +ATOM 8492 HG2 PRO B 719 6.934 113.122 -25.457 1.00 32.90 H +ATOM 8493 HD2 PRO B 719 5.125 114.324 -24.606 1.00 32.79 H +ATOM 8494 HD3 PRO B 719 4.556 112.862 -23.607 1.00 32.79 H +ATOM 8495 N ASP B 720 8.965 114.347 -23.898 1.00 31.93 N +ATOM 8496 CA ASP B 720 10.299 114.870 -24.176 1.00 31.46 C +ATOM 8497 C ASP B 720 10.707 116.117 -23.391 1.00 30.02 C +ATOM 8498 O ASP B 720 11.886 116.466 -23.372 1.00 29.12 O +ATOM 8499 CB ASP B 720 10.455 115.154 -25.672 1.00 33.64 C +ATOM 8500 CG ASP B 720 9.527 116.246 -26.158 1.00 35.49 C +ATOM 8501 OD1 ASP B 720 8.291 116.043 -26.144 1.00 37.33 O +ATOM 8502 OD2 ASP B 720 10.032 117.312 -26.556 1.00 37.05 O1- +ATOM 8503 H ASP B 720 8.159 114.768 -24.337 1.00 31.93 H +ATOM 8504 HA ASP B 720 11.011 114.084 -23.923 1.00 31.46 H +ATOM 8505 HB3 ASP B 720 10.266 114.241 -26.236 1.00 33.64 H +ATOM 8506 HB2 ASP B 720 11.487 115.436 -25.882 1.00 33.64 H +ATOM 8507 N LEU B 721 9.752 116.782 -22.745 1.00 28.17 N +ATOM 8508 CA LEU B 721 10.057 117.989 -21.979 1.00 26.99 C +ATOM 8509 C LEU B 721 11.222 117.809 -21.000 1.00 26.32 C +ATOM 8510 O LEU B 721 12.111 118.662 -20.918 1.00 25.12 O +ATOM 8511 CB LEU B 721 8.818 118.465 -21.209 1.00 26.79 C +ATOM 8512 CG LEU B 721 9.001 119.685 -20.295 1.00 27.41 C +ATOM 8513 CD1 LEU B 721 9.483 120.879 -21.105 1.00 27.40 C +ATOM 8514 CD2 LEU B 721 7.682 120.011 -19.602 1.00 27.71 C +ATOM 8515 H LEU B 721 8.797 116.454 -22.779 1.00 28.17 H +ATOM 8516 HA LEU B 721 10.332 118.772 -22.686 1.00 26.99 H +ATOM 8517 HB3 LEU B 721 8.418 117.636 -20.625 1.00 26.79 H +ATOM 8518 HB2 LEU B 721 8.011 118.663 -21.914 1.00 26.79 H +ATOM 8519 HG LEU B 721 9.748 119.448 -19.537 1.00 27.41 H +ATOM 8520 HD11 LEU B 721 9.609 121.738 -20.447 1.00 27.40 H +ATOM 8521 HD12 LEU B 721 10.437 120.639 -21.575 1.00 27.40 H +ATOM 8522 HD13 LEU B 721 8.749 121.116 -21.875 1.00 27.40 H +ATOM 8523 HD21 LEU B 721 7.816 120.878 -18.955 1.00 27.71 H +ATOM 8524 HD22 LEU B 721 6.922 120.233 -20.352 1.00 27.71 H +ATOM 8525 HD23 LEU B 721 7.364 119.157 -19.005 1.00 27.71 H +ATOM 8526 N PHE B 722 11.228 116.702 -20.264 1.00 25.80 N +ATOM 8527 CA PHE B 722 12.295 116.468 -19.296 1.00 26.04 C +ATOM 8528 C PHE B 722 13.310 115.403 -19.684 1.00 26.59 C +ATOM 8529 O PHE B 722 14.010 114.851 -18.836 1.00 25.40 O +ATOM 8530 CB PHE B 722 11.686 116.141 -17.934 1.00 25.24 C +ATOM 8531 CG PHE B 722 10.905 117.275 -17.353 1.00 24.65 C +ATOM 8532 CD1 PHE B 722 9.516 117.254 -17.354 1.00 24.12 C +ATOM 8533 CD2 PHE B 722 11.561 118.388 -16.836 1.00 24.00 C +ATOM 8534 CE1 PHE B 722 8.791 118.327 -16.849 1.00 24.20 C +ATOM 8535 CE2 PHE B 722 10.845 119.466 -16.330 1.00 23.75 C +ATOM 8536 CZ PHE B 722 9.457 119.436 -16.336 1.00 23.84 C +ATOM 8537 H PHE B 722 10.492 116.018 -20.374 1.00 25.80 H +ATOM 8538 HA PHE B 722 12.840 117.405 -19.186 1.00 26.04 H +ATOM 8539 HB3 PHE B 722 12.478 115.855 -17.243 1.00 25.24 H +ATOM 8540 HB2 PHE B 722 11.041 115.267 -18.027 1.00 25.24 H +ATOM 8541 HD1 PHE B 722 8.989 116.398 -17.749 1.00 24.12 H +ATOM 8542 HD2 PHE B 722 12.640 118.422 -16.824 1.00 24.00 H +ATOM 8543 HE1 PHE B 722 7.711 118.300 -16.855 1.00 24.20 H +ATOM 8544 HE2 PHE B 722 11.368 120.323 -15.933 1.00 23.75 H +ATOM 8545 HZ PHE B 722 8.894 120.270 -15.944 1.00 23.84 H +ATOM 8546 N GLU B 723 13.407 115.123 -20.974 1.00 28.17 N +ATOM 8547 CA GLU B 723 14.352 114.119 -21.425 1.00 29.50 C +ATOM 8548 C GLU B 723 15.775 114.626 -21.163 1.00 28.80 C +ATOM 8549 O GLU B 723 16.148 115.727 -21.579 1.00 28.39 O +ATOM 8550 CB GLU B 723 14.110 113.820 -22.908 1.00 32.14 C +ATOM 8551 CG GLU B 723 15.042 114.499 -23.858 1.00 36.70 C +ATOM 8552 CD GLU B 723 16.001 113.515 -24.477 1.00 39.54 C +ATOM 8553 OE1 GLU B 723 15.532 112.673 -25.275 1.00 41.22 O +ATOM 8554 OE2 GLU B 723 17.213 113.579 -24.158 1.00 41.68 O1- +ATOM 8555 H GLU B 723 12.824 115.607 -21.642 1.00 28.17 H +ATOM 8556 HA GLU B 723 14.194 113.206 -20.853 1.00 29.50 H +ATOM 8557 HB3 GLU B 723 13.083 114.078 -23.165 1.00 32.14 H +ATOM 8558 HB2 GLU B 723 14.153 112.743 -23.070 1.00 32.14 H +ATOM 8559 HG3 GLU B 723 15.603 115.268 -23.328 1.00 36.70 H +ATOM 8560 HG2 GLU B 723 14.466 114.988 -24.644 1.00 36.70 H +ATOM 8561 N GLY B 724 16.552 113.823 -20.438 1.00 28.01 N +ATOM 8562 CA GLY B 724 17.916 114.194 -20.104 1.00 26.51 C +ATOM 8563 C GLY B 724 18.052 114.939 -18.782 1.00 25.36 C +ATOM 8564 O GLY B 724 19.131 114.985 -18.204 1.00 24.84 O +ATOM 8565 H GLY B 724 16.196 112.938 -20.109 1.00 28.01 H +ATOM 8566 HA3 GLY B 724 18.332 114.803 -20.907 1.00 26.51 H +ATOM 8567 HA2 GLY B 724 18.538 113.299 -20.080 1.00 26.51 H +ATOM 8568 N THR B 725 16.955 115.513 -18.295 1.00 24.79 N +ATOM 8569 CA THR B 725 16.978 116.282 -17.052 1.00 23.64 C +ATOM 8570 C THR B 725 17.424 115.500 -15.818 1.00 23.17 C +ATOM 8571 O THR B 725 18.275 115.971 -15.058 1.00 22.07 O +ATOM 8572 CB THR B 725 15.604 116.910 -16.773 1.00 23.67 C +ATOM 8573 OG1 THR B 725 15.215 117.700 -17.903 1.00 24.86 O +ATOM 8574 CG2 THR B 725 15.662 117.804 -15.546 1.00 22.12 C +ATOM 8575 H THR B 725 16.077 115.422 -18.786 1.00 24.79 H +ATOM 8576 HA THR B 725 17.686 117.099 -17.190 1.00 23.64 H +ATOM 8577 HB THR B 725 14.870 116.121 -16.612 1.00 23.67 H +ATOM 8578 HG1 THR B 725 15.927 118.300 -18.135 1.00 24.86 H +ATOM 8579 HG21 THR B 725 14.679 118.239 -15.366 1.00 22.12 H +ATOM 8580 HG22 THR B 725 15.962 117.214 -14.680 1.00 22.12 H +ATOM 8581 HG23 THR B 725 16.387 118.601 -15.711 1.00 22.12 H +ATOM 8582 N ALA B 726 16.856 114.311 -15.619 1.00 22.55 N +ATOM 8583 CA ALA B 726 17.216 113.485 -14.474 1.00 22.08 C +ATOM 8584 C ALA B 726 18.719 113.197 -14.443 1.00 22.26 C +ATOM 8585 O ALA B 726 19.346 113.244 -13.382 1.00 21.66 O +ATOM 8586 CB ALA B 726 16.432 112.177 -14.500 1.00 22.08 C +ATOM 8587 H ALA B 726 16.162 113.968 -16.267 1.00 22.55 H +ATOM 8588 HA ALA B 726 16.952 114.025 -13.565 1.00 22.08 H +ATOM 8589 HB1 ALA B 726 16.710 111.569 -13.640 1.00 22.08 H +ATOM 8590 HB2 ALA B 726 15.364 112.392 -14.463 1.00 22.08 H +ATOM 8591 HB3 ALA B 726 16.661 111.635 -15.418 1.00 22.08 H +ATOM 8592 N GLU B 727 19.293 112.896 -15.607 1.00 22.75 N +ATOM 8593 CA GLU B 727 20.725 112.608 -15.696 1.00 23.58 C +ATOM 8594 C GLU B 727 21.542 113.858 -15.388 1.00 23.47 C +ATOM 8595 O GLU B 727 22.584 113.785 -14.737 1.00 23.89 O +ATOM 8596 CB GLU B 727 21.098 112.101 -17.093 1.00 24.66 C +ATOM 8597 CG GLU B 727 20.521 110.737 -17.485 1.00 27.24 C +ATOM 8598 CD GLU B 727 19.021 110.761 -17.739 1.00 28.64 C +ATOM 8599 OE1 GLU B 727 18.458 111.852 -17.984 1.00 29.44 O +ATOM 8600 OE2 GLU B 727 18.404 109.677 -17.711 1.00 30.46 O1- +ATOM 8601 H GLU B 727 18.738 112.863 -16.450 1.00 22.75 H +ATOM 8602 HA GLU B 727 20.974 111.838 -14.965 1.00 23.58 H +ATOM 8603 HB3 GLU B 727 22.184 112.073 -17.188 1.00 24.66 H +ATOM 8604 HB2 GLU B 727 20.804 112.843 -17.836 1.00 24.66 H +ATOM 8605 HG3 GLU B 727 20.744 110.012 -16.703 1.00 27.24 H +ATOM 8606 HG2 GLU B 727 21.033 110.370 -18.375 1.00 27.24 H +ATOM 8607 N TRP B 728 21.075 115.008 -15.865 1.00 23.35 N +ATOM 8608 CA TRP B 728 21.787 116.255 -15.613 1.00 23.32 C +ATOM 8609 C TRP B 728 21.784 116.551 -14.113 1.00 23.62 C +ATOM 8610 O TRP B 728 22.781 117.020 -13.559 1.00 23.59 O +ATOM 8611 CB TRP B 728 21.135 117.424 -16.361 1.00 23.00 C +ATOM 8612 CG TRP B 728 21.911 118.706 -16.209 1.00 22.62 C +ATOM 8613 CD1 TRP B 728 22.995 119.100 -16.941 1.00 22.71 C +ATOM 8614 CD2 TRP B 728 21.708 119.719 -15.215 1.00 21.95 C +ATOM 8615 NE1 TRP B 728 23.483 120.296 -16.463 1.00 23.13 N +ATOM 8616 CE2 TRP B 728 22.711 120.698 -15.404 1.00 22.92 C +ATOM 8617 CE3 TRP B 728 20.777 119.894 -14.180 1.00 22.07 C +ATOM 8618 CZ2 TRP B 728 22.808 121.841 -14.595 1.00 22.17 C +ATOM 8619 CZ3 TRP B 728 20.870 121.024 -13.376 1.00 21.32 C +ATOM 8620 CH2 TRP B 728 21.883 121.987 -13.590 1.00 22.27 C +ATOM 8621 H TRP B 728 20.222 115.021 -16.406 1.00 23.35 H +ATOM 8622 HA TRP B 728 22.818 116.149 -15.951 1.00 23.32 H +ATOM 8623 HB3 TRP B 728 20.120 117.569 -15.992 1.00 23.00 H +ATOM 8624 HB2 TRP B 728 21.050 117.174 -17.418 1.00 23.00 H +ATOM 8625 HD1 TRP B 728 23.343 118.490 -17.762 1.00 22.71 H +ATOM 8626 HE1 TRP B 728 24.289 120.723 -16.897 1.00 23.13 H +ATOM 8627 HE3 TRP B 728 20.004 119.157 -14.018 1.00 22.07 H +ATOM 8628 HZ2 TRP B 728 23.589 122.565 -14.775 1.00 22.17 H +ATOM 8629 HZ3 TRP B 728 20.162 121.177 -12.575 1.00 21.32 H +ATOM 8630 HH2 TRP B 728 21.920 122.851 -12.944 1.00 22.27 H +ATOM 8631 N ILE B 729 20.663 116.269 -13.452 1.00 23.57 N +ATOM 8632 CA ILE B 729 20.571 116.525 -12.021 1.00 22.63 C +ATOM 8633 C ILE B 729 21.517 115.608 -11.262 1.00 22.99 C +ATOM 8634 O ILE B 729 22.227 116.052 -10.356 1.00 23.42 O +ATOM 8635 CB ILE B 729 19.125 116.331 -11.499 1.00 22.36 C +ATOM 8636 CG1 ILE B 729 18.202 117.374 -12.142 1.00 21.25 C +ATOM 8637 CG2 ILE B 729 19.096 116.463 -9.973 1.00 20.75 C +ATOM 8638 CD1 ILE B 729 16.729 117.203 -11.804 1.00 21.76 C +ATOM 8639 H ILE B 729 19.872 115.877 -13.942 1.00 23.57 H +ATOM 8640 HA ILE B 729 20.869 117.557 -11.835 1.00 22.63 H +ATOM 8641 HB ILE B 729 18.780 115.335 -11.774 1.00 22.36 H +ATOM 8642 HG13 ILE B 729 18.330 117.350 -13.224 1.00 21.25 H +ATOM 8643 HG12 ILE B 729 18.526 118.372 -11.849 1.00 21.25 H +ATOM 8644 HG21 ILE B 729 18.076 116.325 -9.615 1.00 20.75 H +ATOM 8645 HG22 ILE B 729 19.741 115.704 -9.530 1.00 20.75 H +ATOM 8646 HG23 ILE B 729 19.451 117.453 -9.686 1.00 20.75 H +ATOM 8647 HD11 ILE B 729 16.150 117.982 -12.301 1.00 21.76 H +ATOM 8648 HD12 ILE B 729 16.389 116.225 -12.145 1.00 21.76 H +ATOM 8649 HD13 ILE B 729 16.591 117.280 -10.726 1.00 21.76 H +ATOM 8650 N ALA B 730 21.540 114.329 -11.634 1.00 22.93 N +ATOM 8651 CA ALA B 730 22.422 113.377 -10.967 1.00 22.77 C +ATOM 8652 C ALA B 730 23.874 113.853 -11.072 1.00 22.87 C +ATOM 8653 O ALA B 730 24.653 113.703 -10.128 1.00 23.65 O +ATOM 8654 CB ALA B 730 22.264 111.988 -11.589 1.00 22.41 C +ATOM 8655 H ALA B 730 20.943 114.011 -12.384 1.00 22.93 H +ATOM 8656 HA ALA B 730 22.147 113.322 -9.913 1.00 22.77 H +ATOM 8657 HB1 ALA B 730 22.927 111.286 -11.084 1.00 22.41 H +ATOM 8658 HB2 ALA B 730 21.232 111.656 -11.480 1.00 22.41 H +ATOM 8659 HB3 ALA B 730 22.521 112.033 -12.648 1.00 22.41 H +ATOM 8660 N ARG B 731 24.237 114.431 -12.215 1.00 22.50 N +ATOM 8661 CA ARG B 731 25.594 114.941 -12.401 1.00 22.46 C +ATOM 8662 C ARG B 731 25.891 116.070 -11.418 1.00 21.67 C +ATOM 8663 O ARG B 731 27.052 116.381 -11.160 1.00 20.75 O +ATOM 8664 CB ARG B 731 25.795 115.453 -13.831 1.00 23.74 C +ATOM 8665 CG ARG B 731 26.004 114.364 -14.884 1.00 26.52 C +ATOM 8666 CD ARG B 731 26.167 115.000 -16.264 1.00 28.36 C +ATOM 8667 NE ARG B 731 27.265 115.967 -16.279 1.00 30.66 N +ATOM 8668 CZ ARG B 731 27.327 117.028 -17.082 1.00 31.76 C +ATOM 8669 NH1 ARG B 731 26.350 117.272 -17.948 1.00 33.00 N +ATOM 8670 NH2 ARG B 731 28.365 117.852 -17.018 1.00 31.73 N1+ +ATOM 8671 H ARG B 731 23.571 114.521 -12.969 1.00 22.50 H +ATOM 8672 HA ARG B 731 26.299 114.130 -12.221 1.00 22.46 H +ATOM 8673 HB3 ARG B 731 26.640 116.142 -13.852 1.00 23.74 H +ATOM 8674 HB2 ARG B 731 24.944 116.071 -14.115 1.00 23.74 H +ATOM 8675 HG3 ARG B 731 25.143 113.696 -14.891 1.00 26.52 H +ATOM 8676 HG2 ARG B 731 26.898 113.790 -14.640 1.00 26.52 H +ATOM 8677 HD3 ARG B 731 25.240 115.499 -16.545 1.00 28.36 H +ATOM 8678 HD2 ARG B 731 26.360 114.221 -17.002 1.00 28.36 H +ATOM 8679 HE ARG B 731 28.011 115.786 -15.622 1.00 30.66 H +ATOM 8680 HH12 ARG B 731 26.402 118.078 -18.554 1.00 33.00 H +ATOM 8681 HH11 ARG B 731 25.555 116.652 -17.999 1.00 33.00 H +ATOM 8682 HH22 ARG B 731 28.410 118.656 -17.628 1.00 31.73 H +ATOM 8683 HH21 ARG B 731 29.110 117.675 -16.360 1.00 31.73 H +ATOM 8684 N CYS B 732 24.840 116.684 -10.876 1.00 20.82 N +ATOM 8685 CA CYS B 732 25.007 117.771 -9.916 1.00 20.49 C +ATOM 8686 C CYS B 732 25.298 117.262 -8.505 1.00 20.01 C +ATOM 8687 O CYS B 732 25.757 118.032 -7.656 1.00 20.15 O +ATOM 8688 CB CYS B 732 23.770 118.679 -9.891 1.00 20.81 C +ATOM 8689 SG CYS B 732 23.523 119.678 -11.391 1.00 21.15 S +ATOM 8690 H CYS B 732 23.904 116.399 -11.127 1.00 20.82 H +ATOM 8691 HA CYS B 732 25.857 118.373 -10.237 1.00 20.49 H +ATOM 8692 HB3 CYS B 732 23.823 119.337 -9.024 1.00 20.81 H +ATOM 8693 HB2 CYS B 732 22.882 118.073 -9.711 1.00 20.81 H +ATOM 8694 HG CYS B 732 23.385 118.872 -12.447 1.00 21.15 H +ATOM 8695 N GLN B 733 25.014 115.987 -8.234 1.00 19.15 N +ATOM 8696 CA GLN B 733 25.325 115.429 -6.916 1.00 19.37 C +ATOM 8697 C GLN B 733 26.852 115.323 -6.897 1.00 19.69 C +ATOM 8698 O GLN B 733 27.447 114.925 -7.891 1.00 19.86 O +ATOM 8699 CB GLN B 733 24.690 114.040 -6.728 1.00 18.75 C +ATOM 8700 CG GLN B 733 25.125 113.337 -5.443 1.00 17.84 C +ATOM 8701 CD GLN B 733 24.309 112.094 -5.142 1.00 18.28 C +ATOM 8702 OE1 GLN B 733 24.013 111.306 -6.034 1.00 18.27 O +ATOM 8703 NE2 GLN B 733 23.946 111.911 -3.875 1.00 18.85 N +ATOM 8704 H GLN B 733 24.584 115.405 -8.939 1.00 19.15 H +ATOM 8705 HA GLN B 733 24.986 116.106 -6.132 1.00 19.37 H +ATOM 8706 HB3 GLN B 733 24.935 113.412 -7.585 1.00 18.75 H +ATOM 8707 HB2 GLN B 733 23.604 114.134 -6.739 1.00 18.75 H +ATOM 8708 HG3 GLN B 733 25.047 114.032 -4.606 1.00 17.84 H +ATOM 8709 HG2 GLN B 733 26.179 113.070 -5.515 1.00 17.84 H +ATOM 8710 HE22 GLN B 733 23.402 111.100 -3.618 1.00 18.85 H +ATOM 8711 HE21 GLN B 733 24.215 112.583 -3.171 1.00 18.85 H +ATOM 8712 N ASN B 734 27.494 115.693 -5.791 1.00 20.25 N +ATOM 8713 CA ASN B 734 28.954 115.641 -5.753 1.00 20.50 C +ATOM 8714 C ASN B 734 29.527 114.689 -4.711 1.00 20.53 C +ATOM 8715 O ASN B 734 28.792 113.909 -4.099 1.00 20.64 O +ATOM 8716 CB ASN B 734 29.526 117.061 -5.568 1.00 20.27 C +ATOM 8717 CG ASN B 734 29.461 117.553 -4.127 1.00 20.68 C +ATOM 8718 OD1 ASN B 734 28.764 116.977 -3.284 1.00 21.25 O +ATOM 8719 ND2 ASN B 734 30.187 118.634 -3.841 1.00 18.86 N +ATOM 8720 H ASN B 734 26.972 116.007 -4.985 1.00 20.25 H +ATOM 8721 HA ASN B 734 29.287 115.286 -6.728 1.00 20.50 H +ATOM 8722 HB3 ASN B 734 28.986 117.756 -6.212 1.00 20.27 H +ATOM 8723 HB2 ASN B 734 30.560 117.082 -5.912 1.00 20.27 H +ATOM 8724 HD22 ASN B 734 30.186 119.009 -2.903 1.00 18.86 H +ATOM 8725 HD21 ASN B 734 30.738 119.078 -4.562 1.00 18.86 H +ATOM 8726 N TRP B 735 30.843 114.761 -4.518 1.00 20.64 N +ATOM 8727 CA TRP B 735 31.556 113.898 -3.579 1.00 20.96 C +ATOM 8728 C TRP B 735 31.022 113.960 -2.155 1.00 21.13 C +ATOM 8729 O TRP B 735 31.180 113.006 -1.392 1.00 21.73 O +ATOM 8730 CB TRP B 735 33.052 114.247 -3.566 1.00 21.20 C +ATOM 8731 CG TRP B 735 33.312 115.698 -3.256 1.00 21.18 C +ATOM 8732 CD1 TRP B 735 33.266 116.745 -4.133 1.00 20.80 C +ATOM 8733 CD2 TRP B 735 33.599 116.265 -1.969 1.00 20.81 C +ATOM 8734 NE1 TRP B 735 33.505 117.929 -3.473 1.00 21.00 N +ATOM 8735 CE2 TRP B 735 33.711 117.665 -2.144 1.00 21.07 C +ATOM 8736 CE3 TRP B 735 33.770 115.727 -0.685 1.00 20.60 C +ATOM 8737 CZ2 TRP B 735 33.987 118.539 -1.080 1.00 21.23 C +ATOM 8738 CZ3 TRP B 735 34.046 116.592 0.374 1.00 20.92 C +ATOM 8739 CH2 TRP B 735 34.151 117.986 0.168 1.00 21.23 C +ATOM 8740 H TRP B 735 31.393 115.435 -5.032 1.00 20.64 H +ATOM 8741 HA TRP B 735 31.456 112.871 -3.929 1.00 20.96 H +ATOM 8742 HB3 TRP B 735 33.490 114.000 -4.534 1.00 21.20 H +ATOM 8743 HB2 TRP B 735 33.563 113.623 -2.834 1.00 21.20 H +ATOM 8744 HD1 TRP B 735 33.063 116.565 -5.178 1.00 20.80 H +ATOM 8745 HE1 TRP B 735 33.506 118.801 -3.984 1.00 21.00 H +ATOM 8746 HE3 TRP B 735 33.687 114.661 -0.531 1.00 20.60 H +ATOM 8747 HZ2 TRP B 735 34.063 119.601 -1.259 1.00 21.23 H +ATOM 8748 HZ3 TRP B 735 34.183 116.199 1.371 1.00 20.92 H +ATOM 8749 HH2 TRP B 735 34.365 118.620 1.015 1.00 21.23 H +ATOM 8750 N GLU B 736 30.402 115.079 -1.798 1.00 21.19 N +ATOM 8751 CA GLU B 736 29.837 115.272 -0.461 1.00 20.68 C +ATOM 8752 C GLU B 736 28.550 114.473 -0.248 1.00 20.38 C +ATOM 8753 O GLU B 736 28.191 114.150 0.889 1.00 19.63 O +ATOM 8754 CB GLU B 736 29.509 116.750 -0.232 1.00 20.34 C +ATOM 8755 CG GLU B 736 30.687 117.691 -0.266 1.00 20.56 C +ATOM 8756 CD GLU B 736 30.257 119.135 -0.092 1.00 20.92 C +ATOM 8757 OE1 GLU B 736 30.117 119.844 -1.114 1.00 20.76 O +ATOM 8758 OE2 GLU B 736 30.040 119.554 1.069 1.00 20.73 O1- +ATOM 8759 H GLU B 736 30.307 115.836 -2.460 1.00 21.19 H +ATOM 8760 HA GLU B 736 30.572 114.958 0.280 1.00 20.68 H +ATOM 8761 HB3 GLU B 736 28.988 116.860 0.719 1.00 20.34 H +ATOM 8762 HB2 GLU B 736 28.770 117.072 -0.965 1.00 20.34 H +ATOM 8763 HG3 GLU B 736 31.212 117.580 -1.215 1.00 20.56 H +ATOM 8764 HG2 GLU B 736 31.388 117.423 0.525 1.00 20.56 H +ATOM 8765 N GLY B 737 27.854 114.176 -1.339 1.00 20.04 N +ATOM 8766 CA GLY B 737 26.604 113.441 -1.242 1.00 20.61 C +ATOM 8767 C GLY B 737 25.423 114.356 -1.532 1.00 20.85 C +ATOM 8768 O GLY B 737 24.360 113.903 -1.970 1.00 20.90 O +ATOM 8769 H GLY B 737 28.192 114.461 -2.247 1.00 20.04 H +ATOM 8770 HA3 GLY B 737 26.504 113.026 -0.239 1.00 20.61 H +ATOM 8771 HA2 GLY B 737 26.610 112.618 -1.957 1.00 20.61 H +ATOM 8772 N GLY B 738 25.613 115.649 -1.269 1.00 20.90 N +ATOM 8773 CA GLY B 738 24.577 116.635 -1.527 1.00 20.82 C +ATOM 8774 C GLY B 738 24.616 117.031 -2.993 1.00 20.98 C +ATOM 8775 O GLY B 738 25.358 116.431 -3.772 1.00 21.13 O +ATOM 8776 H GLY B 738 26.492 115.961 -0.882 1.00 20.90 H +ATOM 8777 HA3 GLY B 738 24.752 117.516 -0.909 1.00 20.82 H +ATOM 8778 HA2 GLY B 738 23.602 116.208 -1.292 1.00 20.82 H +ATOM 8779 N ILE B 739 23.838 118.042 -3.374 1.00 20.81 N +ATOM 8780 CA ILE B 739 23.778 118.487 -4.769 1.00 20.40 C +ATOM 8781 C ILE B 739 24.177 119.949 -4.938 1.00 20.27 C +ATOM 8782 O ILE B 739 23.781 120.804 -4.147 1.00 20.69 O +ATOM 8783 CB ILE B 739 22.355 118.292 -5.335 1.00 19.83 C +ATOM 8784 CG1 ILE B 739 21.958 116.815 -5.231 1.00 19.66 C +ATOM 8785 CG2 ILE B 739 22.291 118.762 -6.774 1.00 19.88 C +ATOM 8786 CD1 ILE B 739 20.518 116.515 -5.669 1.00 19.30 C +ATOM 8787 H ILE B 739 23.268 118.525 -2.694 1.00 20.81 H +ATOM 8788 HA ILE B 739 24.465 117.875 -5.353 1.00 20.40 H +ATOM 8789 HB ILE B 739 21.658 118.884 -4.741 1.00 19.83 H +ATOM 8790 HG13 ILE B 739 22.102 116.473 -4.206 1.00 19.66 H +ATOM 8791 HG12 ILE B 739 22.648 116.213 -5.823 1.00 19.66 H +ATOM 8792 HG21 ILE B 739 21.282 118.618 -7.159 1.00 19.88 H +ATOM 8793 HG22 ILE B 739 22.550 119.820 -6.823 1.00 19.88 H +ATOM 8794 HG23 ILE B 739 22.995 118.188 -7.376 1.00 19.88 H +ATOM 8795 HD11 ILE B 739 20.320 115.448 -5.564 1.00 19.30 H +ATOM 8796 HD12 ILE B 739 19.824 117.076 -5.043 1.00 19.30 H +ATOM 8797 HD13 ILE B 739 20.386 116.808 -6.710 1.00 19.30 H +ATOM 8798 N GLY B 740 24.961 120.232 -5.975 1.00 19.86 N +ATOM 8799 CA GLY B 740 25.400 121.596 -6.219 1.00 19.41 C +ATOM 8800 C GLY B 740 24.560 122.277 -7.281 1.00 19.92 C +ATOM 8801 O GLY B 740 23.754 121.626 -7.942 1.00 19.27 O +ATOM 8802 H GLY B 740 25.256 119.496 -6.601 1.00 19.86 H +ATOM 8803 HA3 GLY B 740 26.444 121.590 -6.531 1.00 19.41 H +ATOM 8804 HA2 GLY B 740 25.344 122.166 -5.291 1.00 19.41 H +ATOM 8805 N GLY B 741 24.752 123.584 -7.448 1.00 20.54 N +ATOM 8806 CA GLY B 741 23.991 124.335 -8.439 1.00 20.74 C +ATOM 8807 C GLY B 741 24.173 123.833 -9.858 1.00 21.05 C +ATOM 8808 O GLY B 741 23.226 123.834 -10.649 1.00 21.22 O +ATOM 8809 H GLY B 741 25.434 124.071 -6.883 1.00 20.54 H +ATOM 8810 HA3 GLY B 741 24.272 125.388 -8.389 1.00 20.74 H +ATOM 8811 HA2 GLY B 741 22.933 124.308 -8.178 1.00 20.74 H +ATOM 8812 N VAL B 742 25.401 123.435 -10.183 1.00 20.80 N +ATOM 8813 CA VAL B 742 25.748 122.889 -11.493 1.00 20.87 C +ATOM 8814 C VAL B 742 26.796 121.809 -11.240 1.00 20.94 C +ATOM 8815 O VAL B 742 27.387 121.758 -10.159 1.00 20.53 O +ATOM 8816 CB VAL B 742 26.356 123.962 -12.444 1.00 21.57 C +ATOM 8817 CG1 VAL B 742 25.317 125.028 -12.774 1.00 20.86 C +ATOM 8818 CG2 VAL B 742 27.591 124.591 -11.808 1.00 20.65 C +ATOM 8819 H VAL B 742 26.149 123.502 -9.507 1.00 20.80 H +ATOM 8820 HA VAL B 742 24.865 122.446 -11.954 1.00 20.87 H +ATOM 8821 HB VAL B 742 26.656 123.473 -13.371 1.00 21.57 H +ATOM 8822 HG11 VAL B 742 25.757 125.771 -13.440 1.00 20.86 H +ATOM 8823 HG12 VAL B 742 24.462 124.563 -13.264 1.00 20.86 H +ATOM 8824 HG13 VAL B 742 24.989 125.513 -11.855 1.00 20.86 H +ATOM 8825 HG21 VAL B 742 28.007 125.340 -12.482 1.00 20.65 H +ATOM 8826 HG22 VAL B 742 27.314 125.065 -10.866 1.00 20.65 H +ATOM 8827 HG23 VAL B 742 28.336 123.818 -11.619 1.00 20.65 H +ATOM 8828 N PRO B 743 27.036 120.924 -12.222 1.00 21.08 N +ATOM 8829 CA PRO B 743 28.034 119.862 -12.042 1.00 20.96 C +ATOM 8830 C PRO B 743 29.387 120.392 -11.589 1.00 21.04 C +ATOM 8831 O PRO B 743 29.916 121.338 -12.176 1.00 21.52 O +ATOM 8832 CB PRO B 743 28.102 119.217 -13.425 1.00 20.75 C +ATOM 8833 CG PRO B 743 26.688 119.339 -13.899 1.00 20.66 C +ATOM 8834 CD PRO B 743 26.347 120.775 -13.518 1.00 21.19 C +ATOM 8835 HA PRO B 743 27.666 119.134 -11.318 1.00 20.96 H +ATOM 8836 HB3 PRO B 743 28.355 118.163 -13.318 1.00 20.75 H +ATOM 8837 HB2 PRO B 743 28.748 119.816 -14.068 1.00 20.75 H +ATOM 8838 HG3 PRO B 743 26.059 118.657 -13.326 1.00 20.66 H +ATOM 8839 HG2 PRO B 743 26.663 119.240 -14.984 1.00 20.66 H +ATOM 8840 HD2 PRO B 743 26.796 121.455 -14.243 1.00 21.19 H +ATOM 8841 HD3 PRO B 743 25.271 120.860 -13.364 1.00 21.19 H +ATOM 8842 N GLY B 744 29.937 119.785 -10.539 1.00 21.52 N +ATOM 8843 CA GLY B 744 31.229 120.204 -10.021 1.00 20.60 C +ATOM 8844 C GLY B 744 31.171 121.128 -8.816 1.00 21.27 C +ATOM 8845 O GLY B 744 32.139 121.222 -8.061 1.00 21.15 O +ATOM 8846 H GLY B 744 29.455 119.020 -10.089 1.00 21.52 H +ATOM 8847 HA3 GLY B 744 31.798 120.685 -10.817 1.00 20.60 H +ATOM 8848 HA2 GLY B 744 31.820 119.323 -9.772 1.00 20.60 H +ATOM 8849 N MET B 745 30.047 121.812 -8.616 1.00 20.67 N +ATOM 8850 CA MET B 745 29.937 122.733 -7.489 1.00 20.20 C +ATOM 8851 C MET B 745 29.571 122.132 -6.133 1.00 19.76 C +ATOM 8852 O MET B 745 29.016 121.034 -6.039 1.00 19.28 O +ATOM 8853 CB MET B 745 28.974 123.867 -7.832 1.00 21.33 C +ATOM 8854 CG MET B 745 29.673 125.029 -8.531 1.00 23.20 C +ATOM 8855 SD MET B 745 31.027 125.668 -7.500 1.00 25.55 S +ATOM 8856 CE MET B 745 30.101 126.710 -6.365 1.00 25.52 C +ATOM 8857 H MET B 745 29.266 121.695 -9.245 1.00 20.67 H +ATOM 8858 HA MET B 745 30.919 123.190 -7.368 1.00 20.20 H +ATOM 8859 HB3 MET B 745 28.498 124.226 -6.920 1.00 21.33 H +ATOM 8860 HB2 MET B 745 28.178 123.485 -8.471 1.00 21.33 H +ATOM 8861 HG3 MET B 745 28.953 125.826 -8.719 1.00 23.20 H +ATOM 8862 HG2 MET B 745 30.073 124.690 -9.487 1.00 23.20 H +ATOM 8863 HE1 MET B 745 30.787 127.180 -5.660 1.00 25.52 H +ATOM 8864 HE2 MET B 745 29.573 127.480 -6.927 1.00 25.52 H +ATOM 8865 HE3 MET B 745 29.380 126.101 -5.819 1.00 25.52 H +ATOM 8866 N GLU B 746 29.908 122.882 -5.088 1.00 19.12 N +ATOM 8867 CA GLU B 746 29.683 122.506 -3.696 1.00 19.25 C +ATOM 8868 C GLU B 746 28.222 122.172 -3.378 1.00 19.06 C +ATOM 8869 O GLU B 746 27.299 122.818 -3.876 1.00 18.77 O +ATOM 8870 CB GLU B 746 30.176 123.648 -2.796 1.00 19.03 C +ATOM 8871 CG GLU B 746 30.013 123.442 -1.294 1.00 19.65 C +ATOM 8872 CD GLU B 746 30.513 124.640 -0.506 1.00 19.97 C +ATOM 8873 OE1 GLU B 746 30.568 125.743 -1.089 1.00 20.43 O +ATOM 8874 OE2 GLU B 746 30.841 124.497 0.692 1.00 20.59 O1- +ATOM 8875 H GLU B 746 30.351 123.778 -5.232 1.00 19.12 H +ATOM 8876 HA GLU B 746 30.285 121.623 -3.482 1.00 19.25 H +ATOM 8877 HB3 GLU B 746 29.681 124.574 -3.087 1.00 19.03 H +ATOM 8878 HB2 GLU B 746 31.223 123.855 -3.019 1.00 19.03 H +ATOM 8879 HG3 GLU B 746 30.563 122.552 -0.988 1.00 19.65 H +ATOM 8880 HG2 GLU B 746 28.962 123.269 -1.063 1.00 19.65 H +ATOM 8881 N ALA B 747 28.027 121.153 -2.548 1.00 18.75 N +ATOM 8882 CA ALA B 747 26.692 120.730 -2.151 1.00 19.17 C +ATOM 8883 C ALA B 747 26.031 121.802 -1.286 1.00 19.14 C +ATOM 8884 O ALA B 747 26.630 122.298 -0.332 1.00 19.65 O +ATOM 8885 CB ALA B 747 26.772 119.410 -1.380 1.00 17.62 C +ATOM 8886 H ALA B 747 28.818 120.648 -2.174 1.00 18.75 H +ATOM 8887 HA ALA B 747 26.089 120.578 -3.046 1.00 19.17 H +ATOM 8888 HB1 ALA B 747 25.770 119.100 -1.086 1.00 17.62 H +ATOM 8889 HB2 ALA B 747 27.218 118.645 -2.014 1.00 17.62 H +ATOM 8890 HB3 ALA B 747 27.386 119.546 -0.489 1.00 17.62 H +ATOM 8891 N HIS B 748 24.796 122.155 -1.619 1.00 19.32 N +ATOM 8892 CA HIS B 748 24.069 123.159 -0.853 1.00 18.90 C +ATOM 8893 C HIS B 748 22.616 122.723 -0.686 1.00 18.74 C +ATOM 8894 O HIS B 748 22.001 122.219 -1.625 1.00 18.01 O +ATOM 8895 CB HIS B 748 24.139 124.518 -1.555 1.00 18.93 C +ATOM 8896 CG HIS B 748 23.789 125.665 -0.660 1.00 20.24 C +ATOM 8897 ND1 HIS B 748 22.502 125.910 -0.228 1.00 19.66 N +ATOM 8898 CD2 HIS B 748 24.570 126.593 -0.057 1.00 19.88 C +ATOM 8899 CE1 HIS B 748 22.508 126.934 0.605 1.00 20.11 C +ATOM 8900 NE2 HIS B 748 23.751 127.367 0.726 1.00 19.98 N +ATOM 8901 H HIS B 748 24.345 121.727 -2.415 1.00 19.32 H +ATOM 8902 HA HIS B 748 24.525 123.248 0.132 1.00 18.90 H +ATOM 8903 HB3 HIS B 748 23.472 124.515 -2.417 1.00 18.93 H +ATOM 8904 HB2 HIS B 748 25.141 124.666 -1.958 1.00 18.93 H +ATOM 8905 HD2 HIS B 748 25.633 126.609 -0.246 1.00 19.88 H +ATOM 8906 HE1 HIS B 748 21.585 127.273 1.051 1.00 20.11 H +ATOM 8907 HE2 HIS B 748 24.140 128.123 1.271 1.00 19.98 H +ATOM 8908 N GLY B 749 22.081 122.917 0.519 1.00 19.03 N +ATOM 8909 CA GLY B 749 20.711 122.526 0.809 1.00 19.08 C +ATOM 8910 C GLY B 749 19.697 123.048 -0.187 1.00 19.83 C +ATOM 8911 O GLY B 749 18.755 122.344 -0.562 1.00 20.31 O +ATOM 8912 H GLY B 749 22.629 123.344 1.252 1.00 19.03 H +ATOM 8913 HA3 GLY B 749 20.442 122.865 1.810 1.00 19.08 H +ATOM 8914 HA2 GLY B 749 20.648 121.438 0.853 1.00 19.08 H +ATOM 8915 N GLY B 750 19.884 124.287 -0.620 1.00 20.16 N +ATOM 8916 CA GLY B 750 18.967 124.870 -1.580 1.00 19.76 C +ATOM 8917 C GLY B 750 18.926 124.117 -2.898 1.00 19.53 C +ATOM 8918 O GLY B 750 17.850 123.787 -3.401 1.00 18.92 O +ATOM 8919 H GLY B 750 20.667 124.828 -0.280 1.00 20.16 H +ATOM 8920 HA3 GLY B 750 19.247 125.907 -1.764 1.00 19.76 H +ATOM 8921 HA2 GLY B 750 17.966 124.903 -1.151 1.00 19.76 H +ATOM 8922 N TYR B 751 20.098 123.841 -3.463 1.00 18.68 N +ATOM 8923 CA TYR B 751 20.178 123.118 -4.725 1.00 18.51 C +ATOM 8924 C TYR B 751 19.851 121.639 -4.536 1.00 18.22 C +ATOM 8925 O TYR B 751 19.329 120.993 -5.443 1.00 18.99 O +ATOM 8926 CB TYR B 751 21.575 123.287 -5.334 1.00 18.49 C +ATOM 8927 CG TYR B 751 21.848 124.704 -5.789 1.00 18.15 C +ATOM 8928 CD1 TYR B 751 23.026 125.362 -5.434 1.00 17.74 C +ATOM 8929 CD2 TYR B 751 20.927 125.385 -6.585 1.00 18.82 C +ATOM 8930 CE1 TYR B 751 23.279 126.666 -5.864 1.00 17.76 C +ATOM 8931 CE2 TYR B 751 21.167 126.688 -7.018 1.00 18.69 C +ATOM 8932 CZ TYR B 751 22.346 127.320 -6.655 1.00 18.96 C +ATOM 8933 OH TYR B 751 22.581 128.611 -7.080 1.00 19.73 O +ATOM 8934 H TYR B 751 20.955 124.135 -3.017 1.00 18.68 H +ATOM 8935 HA TYR B 751 19.449 123.546 -5.414 1.00 18.51 H +ATOM 8936 HB3 TYR B 751 21.687 122.607 -6.178 1.00 18.49 H +ATOM 8937 HB2 TYR B 751 22.327 122.990 -4.602 1.00 18.49 H +ATOM 8938 HD1 TYR B 751 23.759 124.863 -4.817 1.00 17.74 H +ATOM 8939 HD2 TYR B 751 20.006 124.904 -6.877 1.00 18.82 H +ATOM 8940 HE1 TYR B 751 24.197 127.159 -5.581 1.00 17.76 H +ATOM 8941 HE2 TYR B 751 20.438 127.196 -7.631 1.00 18.69 H +ATOM 8942 HH TYR B 751 23.447 128.895 -6.779 1.00 19.73 H +ATOM 8943 N THR B 752 20.153 121.102 -3.357 1.00 17.89 N +ATOM 8944 CA THR B 752 19.857 119.699 -3.077 1.00 17.81 C +ATOM 8945 C THR B 752 18.335 119.499 -2.987 1.00 18.08 C +ATOM 8946 O THR B 752 17.798 118.509 -3.496 1.00 17.00 O +ATOM 8947 CB THR B 752 20.538 119.238 -1.774 1.00 17.06 C +ATOM 8948 OG1 THR B 752 21.945 119.485 -1.878 1.00 17.33 O +ATOM 8949 CG2 THR B 752 20.324 117.744 -1.546 1.00 16.39 C +ATOM 8950 H THR B 752 20.592 121.664 -2.643 1.00 17.89 H +ATOM 8951 HA THR B 752 20.238 119.093 -3.900 1.00 17.81 H +ATOM 8952 HB THR B 752 20.131 119.798 -0.932 1.00 17.06 H +ATOM 8953 HG1 THR B 752 22.111 120.428 -1.804 1.00 17.33 H +ATOM 8954 HG21 THR B 752 20.815 117.444 -0.620 1.00 16.39 H +ATOM 8955 HG22 THR B 752 19.256 117.536 -1.475 1.00 16.39 H +ATOM 8956 HG23 THR B 752 20.748 117.184 -2.379 1.00 16.39 H +ATOM 8957 N PHE B 753 17.637 120.436 -2.345 1.00 18.26 N +ATOM 8958 CA PHE B 753 16.186 120.322 -2.275 1.00 18.32 C +ATOM 8959 C PHE B 753 15.633 120.384 -3.700 1.00 18.14 C +ATOM 8960 O PHE B 753 14.814 119.555 -4.098 1.00 18.60 O +ATOM 8961 CB PHE B 753 15.542 121.456 -1.475 1.00 18.00 C +ATOM 8962 CG PHE B 753 14.037 121.469 -1.590 1.00 18.43 C +ATOM 8963 CD1 PHE B 753 13.262 120.596 -0.831 1.00 18.43 C +ATOM 8964 CD2 PHE B 753 13.408 122.253 -2.556 1.00 18.22 C +ATOM 8965 CE1 PHE B 753 11.884 120.491 -1.035 1.00 18.72 C +ATOM 8966 CE2 PHE B 753 12.024 122.156 -2.770 1.00 19.11 C +ATOM 8967 CZ PHE B 753 11.265 121.272 -2.012 1.00 18.45 C +ATOM 8968 H PHE B 753 18.114 121.214 -1.913 1.00 18.26 H +ATOM 8969 HA PHE B 753 15.919 119.365 -1.825 1.00 18.32 H +ATOM 8970 HB3 PHE B 753 15.940 122.412 -1.817 1.00 18.00 H +ATOM 8971 HB2 PHE B 753 15.824 121.366 -0.426 1.00 18.00 H +ATOM 8972 HD1 PHE B 753 13.725 119.986 -0.070 1.00 18.43 H +ATOM 8973 HD2 PHE B 753 13.986 122.946 -3.149 1.00 18.22 H +ATOM 8974 HE1 PHE B 753 11.300 119.806 -0.437 1.00 18.72 H +ATOM 8975 HE2 PHE B 753 11.550 122.768 -3.524 1.00 19.11 H +ATOM 8976 HZ PHE B 753 10.201 121.188 -2.176 1.00 18.45 H +ATOM 8977 N CYS B 754 16.073 121.379 -4.463 1.00 18.16 N +ATOM 8978 CA CYS B 754 15.606 121.533 -5.835 1.00 18.69 C +ATOM 8979 C CYS B 754 15.848 120.272 -6.665 1.00 19.02 C +ATOM 8980 O CYS B 754 14.963 119.819 -7.390 1.00 19.33 O +ATOM 8981 CB CYS B 754 16.295 122.728 -6.510 1.00 18.53 C +ATOM 8982 SG CYS B 754 15.679 124.361 -6.004 1.00 19.14 S +ATOM 8983 H CYS B 754 16.740 122.042 -4.093 1.00 18.16 H +ATOM 8984 HA CYS B 754 14.533 121.726 -5.811 1.00 18.69 H +ATOM 8985 HB3 CYS B 754 16.208 122.630 -7.592 1.00 18.53 H +ATOM 8986 HB2 CYS B 754 17.368 122.676 -6.328 1.00 18.53 H +ATOM 8987 HG CYS B 754 16.267 124.724 -4.860 1.00 19.14 H +ATOM 8988 N GLY B 755 17.048 119.710 -6.556 1.00 18.46 N +ATOM 8989 CA GLY B 755 17.370 118.520 -7.318 1.00 18.29 C +ATOM 8990 C GLY B 755 16.559 117.290 -6.941 1.00 18.41 C +ATOM 8991 O GLY B 755 16.015 116.613 -7.806 1.00 18.38 O +ATOM 8992 H GLY B 755 17.740 120.113 -5.941 1.00 18.46 H +ATOM 8993 HA3 GLY B 755 18.432 118.298 -7.210 1.00 18.29 H +ATOM 8994 HA2 GLY B 755 17.241 118.725 -8.380 1.00 18.29 H +ATOM 8995 N LEU B 756 16.460 116.996 -5.651 1.00 18.12 N +ATOM 8996 CA LEU B 756 15.721 115.812 -5.243 1.00 18.31 C +ATOM 8997 C LEU B 756 14.221 115.945 -5.480 1.00 18.13 C +ATOM 8998 O LEU B 756 13.583 115.008 -5.951 1.00 18.31 O +ATOM 8999 CB LEU B 756 15.998 115.475 -3.776 1.00 18.28 C +ATOM 9000 CG LEU B 756 15.313 114.200 -3.260 1.00 19.10 C +ATOM 9001 CD1 LEU B 756 15.678 113.007 -4.157 1.00 19.50 C +ATOM 9002 CD2 LEU B 756 15.743 113.938 -1.822 1.00 18.65 C +ATOM 9003 H LEU B 756 16.896 117.593 -4.962 1.00 18.12 H +ATOM 9004 HA LEU B 756 16.077 114.976 -5.846 1.00 18.31 H +ATOM 9005 HB3 LEU B 756 15.706 116.319 -3.151 1.00 18.28 H +ATOM 9006 HB2 LEU B 756 17.074 115.394 -3.621 1.00 18.28 H +ATOM 9007 HG LEU B 756 14.233 114.344 -3.286 1.00 19.10 H +ATOM 9008 HD11 LEU B 756 15.188 112.108 -3.784 1.00 19.50 H +ATOM 9009 HD12 LEU B 756 15.347 113.204 -5.177 1.00 19.50 H +ATOM 9010 HD13 LEU B 756 16.758 112.862 -4.148 1.00 19.50 H +ATOM 9011 HD21 LEU B 756 15.257 113.033 -1.456 1.00 18.65 H +ATOM 9012 HD22 LEU B 756 16.825 113.810 -1.783 1.00 18.65 H +ATOM 9013 HD23 LEU B 756 15.455 114.783 -1.197 1.00 18.65 H +ATOM 9014 N ALA B 757 13.662 117.110 -5.176 1.00 18.24 N +ATOM 9015 CA ALA B 757 12.234 117.329 -5.372 1.00 18.75 C +ATOM 9016 C ALA B 757 11.880 117.184 -6.849 1.00 18.69 C +ATOM 9017 O ALA B 757 10.851 116.613 -7.199 1.00 18.99 O +ATOM 9018 CB ALA B 757 11.834 118.717 -4.861 1.00 17.49 C +ATOM 9019 H ALA B 757 14.227 117.859 -4.804 1.00 18.24 H +ATOM 9020 HA ALA B 757 11.684 116.577 -4.805 1.00 18.75 H +ATOM 9021 HB1 ALA B 757 10.765 118.867 -5.013 1.00 17.49 H +ATOM 9022 HB2 ALA B 757 12.063 118.794 -3.798 1.00 17.49 H +ATOM 9023 HB3 ALA B 757 12.389 119.480 -5.407 1.00 17.49 H +ATOM 9024 N ALA B 758 12.743 117.696 -7.718 1.00 19.20 N +ATOM 9025 CA ALA B 758 12.503 117.598 -9.149 1.00 19.27 C +ATOM 9026 C ALA B 758 12.547 116.129 -9.585 1.00 20.02 C +ATOM 9027 O ALA B 758 11.719 115.685 -10.382 1.00 20.44 O +ATOM 9028 CB ALA B 758 13.541 118.409 -9.908 1.00 18.51 C +ATOM 9029 H ALA B 758 13.577 118.160 -7.387 1.00 19.20 H +ATOM 9030 HA ALA B 758 11.514 118.000 -9.368 1.00 19.27 H +ATOM 9031 HB1 ALA B 758 13.353 118.329 -10.978 1.00 18.51 H +ATOM 9032 HB2 ALA B 758 13.478 119.454 -9.605 1.00 18.51 H +ATOM 9033 HB3 ALA B 758 14.537 118.026 -9.684 1.00 18.51 H +ATOM 9034 N LEU B 759 13.509 115.377 -9.058 1.00 20.31 N +ATOM 9035 CA LEU B 759 13.636 113.966 -9.415 1.00 20.76 C +ATOM 9036 C LEU B 759 12.444 113.155 -8.930 1.00 21.09 C +ATOM 9037 O LEU B 759 12.038 112.198 -9.584 1.00 21.57 O +ATOM 9038 CB LEU B 759 14.936 113.375 -8.850 1.00 20.33 C +ATOM 9039 CG LEU B 759 16.215 113.719 -9.621 1.00 20.72 C +ATOM 9040 CD1 LEU B 759 17.429 113.176 -8.872 1.00 21.02 C +ATOM 9041 CD2 LEU B 759 16.143 113.136 -11.030 1.00 20.01 C +ATOM 9042 H LEU B 759 14.162 115.780 -8.401 1.00 20.31 H +ATOM 9043 HA LEU B 759 13.676 113.895 -10.502 1.00 20.76 H +ATOM 9044 HB3 LEU B 759 14.838 112.292 -8.780 1.00 20.33 H +ATOM 9045 HB2 LEU B 759 15.049 113.683 -7.810 1.00 20.33 H +ATOM 9046 HG LEU B 759 16.302 114.803 -9.693 1.00 20.72 H +ATOM 9047 HD11 LEU B 759 18.337 113.422 -9.424 1.00 21.02 H +ATOM 9048 HD12 LEU B 759 17.475 113.624 -7.880 1.00 21.02 H +ATOM 9049 HD13 LEU B 759 17.344 112.093 -8.779 1.00 21.02 H +ATOM 9050 HD21 LEU B 759 17.055 113.384 -11.574 1.00 20.01 H +ATOM 9051 HD22 LEU B 759 16.039 112.052 -10.971 1.00 20.01 H +ATOM 9052 HD23 LEU B 759 15.283 113.554 -11.554 1.00 20.01 H +ATOM 9053 N VAL B 760 11.892 113.537 -7.781 1.00 21.48 N +ATOM 9054 CA VAL B 760 10.731 112.852 -7.228 1.00 21.07 C +ATOM 9055 C VAL B 760 9.537 113.069 -8.155 1.00 21.47 C +ATOM 9056 O VAL B 760 8.781 112.141 -8.426 1.00 21.69 O +ATOM 9057 CB VAL B 760 10.401 113.369 -5.811 1.00 21.19 C +ATOM 9058 CG1 VAL B 760 9.032 112.844 -5.359 1.00 20.15 C +ATOM 9059 CG2 VAL B 760 11.497 112.920 -4.830 1.00 20.65 C +ATOM 9060 H VAL B 760 12.278 114.319 -7.271 1.00 21.48 H +ATOM 9061 HA VAL B 760 10.945 111.784 -7.173 1.00 21.07 H +ATOM 9062 HB VAL B 760 10.371 114.458 -5.831 1.00 21.19 H +ATOM 9063 HG11 VAL B 760 8.811 113.215 -4.359 1.00 20.15 H +ATOM 9064 HG12 VAL B 760 8.264 113.187 -6.052 1.00 20.15 H +ATOM 9065 HG13 VAL B 760 9.047 111.754 -5.346 1.00 20.15 H +ATOM 9066 HG21 VAL B 760 11.263 113.286 -3.830 1.00 20.65 H +ATOM 9067 HG22 VAL B 760 11.548 111.831 -4.815 1.00 20.65 H +ATOM 9068 HG23 VAL B 760 12.458 113.324 -5.149 1.00 20.65 H +ATOM 9069 N ILE B 761 9.381 114.293 -8.652 1.00 22.02 N +ATOM 9070 CA ILE B 761 8.290 114.604 -9.574 1.00 22.36 C +ATOM 9071 C ILE B 761 8.451 113.760 -10.841 1.00 23.39 C +ATOM 9072 O ILE B 761 7.471 113.248 -11.382 1.00 22.94 O +ATOM 9073 CB ILE B 761 8.294 116.105 -9.967 1.00 22.03 C +ATOM 9074 CG1 ILE B 761 7.908 116.956 -8.759 1.00 20.84 C +ATOM 9075 CG2 ILE B 761 7.341 116.355 -11.131 1.00 20.80 C +ATOM 9076 CD1 ILE B 761 8.122 118.432 -8.973 1.00 19.65 C +ATOM 9077 H ILE B 761 10.023 115.029 -8.392 1.00 22.02 H +ATOM 9078 HA ILE B 761 7.339 114.361 -9.099 1.00 22.36 H +ATOM 9079 HB ILE B 761 9.302 116.380 -10.279 1.00 22.03 H +ATOM 9080 HG13 ILE B 761 8.479 116.630 -7.890 1.00 20.84 H +ATOM 9081 HG12 ILE B 761 6.863 116.775 -8.508 1.00 20.84 H +ATOM 9082 HG21 ILE B 761 7.357 117.413 -11.393 1.00 20.80 H +ATOM 9083 HG22 ILE B 761 7.654 115.763 -11.991 1.00 20.80 H +ATOM 9084 HG23 ILE B 761 6.330 116.068 -10.841 1.00 20.80 H +ATOM 9085 HD11 ILE B 761 7.827 118.976 -8.075 1.00 19.65 H +ATOM 9086 HD12 ILE B 761 9.175 118.620 -9.182 1.00 19.65 H +ATOM 9087 HD13 ILE B 761 7.519 118.769 -9.816 1.00 19.65 H +ATOM 9088 N LEU B 762 9.693 113.613 -11.301 1.00 23.72 N +ATOM 9089 CA LEU B 762 9.987 112.831 -12.501 1.00 24.89 C +ATOM 9090 C LEU B 762 10.055 111.325 -12.234 1.00 25.80 C +ATOM 9091 O LEU B 762 10.176 110.527 -13.165 1.00 25.47 O +ATOM 9092 CB LEU B 762 11.318 113.282 -13.109 1.00 25.16 C +ATOM 9093 CG LEU B 762 11.437 114.749 -13.519 1.00 25.60 C +ATOM 9094 CD1 LEU B 762 12.812 114.994 -14.129 1.00 25.77 C +ATOM 9095 CD2 LEU B 762 10.339 115.096 -14.515 1.00 25.91 C +ATOM 9096 H LEU B 762 10.466 114.047 -10.817 1.00 23.72 H +ATOM 9097 HA LEU B 762 9.198 113.014 -13.231 1.00 24.89 H +ATOM 9098 HB3 LEU B 762 11.553 112.650 -13.965 1.00 25.16 H +ATOM 9099 HB2 LEU B 762 12.127 113.035 -12.421 1.00 25.16 H +ATOM 9100 HG LEU B 762 11.325 115.376 -12.634 1.00 25.60 H +ATOM 9101 HD11 LEU B 762 12.899 116.040 -14.423 1.00 25.77 H +ATOM 9102 HD12 LEU B 762 13.583 114.757 -13.396 1.00 25.77 H +ATOM 9103 HD13 LEU B 762 12.939 114.359 -15.006 1.00 25.77 H +ATOM 9104 HD21 LEU B 762 10.428 116.143 -14.805 1.00 25.91 H +ATOM 9105 HD22 LEU B 762 10.437 114.466 -15.399 1.00 25.91 H +ATOM 9106 HD23 LEU B 762 9.365 114.928 -14.056 1.00 25.91 H +ATOM 9107 N LYS B 763 9.983 110.944 -10.960 1.00 26.46 N +ATOM 9108 CA LYS B 763 10.054 109.541 -10.574 1.00 27.81 C +ATOM 9109 C LYS B 763 11.402 108.952 -10.973 1.00 27.86 C +ATOM 9110 O LYS B 763 11.478 107.818 -11.446 1.00 27.27 O +ATOM 9111 CB LYS B 763 8.925 108.742 -11.232 1.00 29.30 C +ATOM 9112 CG LYS B 763 7.528 109.222 -10.869 1.00 31.51 C +ATOM 9113 CD LYS B 763 6.462 108.234 -11.323 1.00 34.43 C +ATOM 9114 CE LYS B 763 6.469 108.036 -12.842 1.00 36.66 C +ATOM 9115 NZ LYS B 763 6.045 109.264 -13.593 1.00 38.79 N1+ +ATOM 9116 H LYS B 763 9.876 111.635 -10.232 1.00 26.46 H +ATOM 9117 HA LYS B 763 9.948 109.471 -9.491 1.00 27.81 H +ATOM 9118 HB3 LYS B 763 9.025 107.689 -10.967 1.00 29.30 H +ATOM 9119 HB2 LYS B 763 9.047 108.769 -12.315 1.00 29.30 H +ATOM 9120 HG3 LYS B 763 7.346 110.191 -11.334 1.00 31.51 H +ATOM 9121 HG2 LYS B 763 7.460 109.358 -9.790 1.00 31.51 H +ATOM 9122 HD3 LYS B 763 5.481 108.589 -11.009 1.00 34.43 H +ATOM 9123 HD2 LYS B 763 6.625 107.274 -10.832 1.00 34.43 H +ATOM 9124 HE3 LYS B 763 5.811 107.207 -13.103 1.00 36.66 H +ATOM 9125 HE2 LYS B 763 7.468 107.742 -13.165 1.00 36.66 H +ATOM 9126 HZ1 LYS B 763 6.837 109.881 -13.705 1.00 38.79 H +ATOM 9127 HZ2 LYS B 763 5.693 108.999 -14.501 1.00 38.79 H +ATOM 9128 HZ3 LYS B 763 5.319 109.741 -13.077 1.00 38.79 H +ATOM 9129 N ARG B 764 12.464 109.730 -10.777 1.00 27.81 N +ATOM 9130 CA ARG B 764 13.809 109.292 -11.122 1.00 28.63 C +ATOM 9131 C ARG B 764 14.783 109.445 -9.945 1.00 28.88 C +ATOM 9132 O ARG B 764 15.987 109.599 -10.152 1.00 28.64 O +ATOM 9133 CB ARG B 764 14.327 110.092 -12.327 1.00 29.48 C +ATOM 9134 CG ARG B 764 13.546 109.895 -13.633 1.00 31.16 C +ATOM 9135 CD ARG B 764 13.725 108.486 -14.175 1.00 32.51 C +ATOM 9136 NE ARG B 764 15.139 108.166 -14.350 1.00 34.69 N +ATOM 9137 CZ ARG B 764 15.855 108.440 -15.440 1.00 35.51 C +ATOM 9138 NH1 ARG B 764 15.300 109.040 -16.486 1.00 35.21 N +ATOM 9139 NH2 ARG B 764 17.144 108.129 -15.472 1.00 36.43 N1+ +ATOM 9140 H ARG B 764 12.348 110.651 -10.379 1.00 27.81 H +ATOM 9141 HA ARG B 764 13.767 108.239 -11.399 1.00 28.63 H +ATOM 9142 HB3 ARG B 764 15.377 109.850 -12.496 1.00 29.48 H +ATOM 9143 HB2 ARG B 764 14.346 111.152 -12.075 1.00 29.48 H +ATOM 9144 HG3 ARG B 764 13.892 110.615 -14.375 1.00 31.16 H +ATOM 9145 HG2 ARG B 764 12.487 110.084 -13.455 1.00 31.16 H +ATOM 9146 HD3 ARG B 764 13.211 108.397 -15.132 1.00 32.51 H +ATOM 9147 HD2 ARG B 764 13.274 107.772 -13.485 1.00 32.51 H +ATOM 9148 HE ARG B 764 15.572 107.701 -13.565 1.00 34.69 H +ATOM 9149 HH12 ARG B 764 15.855 109.243 -17.305 1.00 35.21 H +ATOM 9150 HH11 ARG B 764 14.323 109.294 -16.463 1.00 35.21 H +ATOM 9151 HH22 ARG B 764 17.692 108.335 -16.295 1.00 36.43 H +ATOM 9152 HH21 ARG B 764 17.577 107.687 -14.674 1.00 36.43 H +ATOM 9153 N GLU B 765 14.265 109.393 -8.718 1.00 29.48 N +ATOM 9154 CA GLU B 765 15.099 109.535 -7.519 1.00 30.70 C +ATOM 9155 C GLU B 765 16.270 108.567 -7.512 1.00 30.92 C +ATOM 9156 O GLU B 765 17.347 108.886 -6.999 1.00 30.39 O +ATOM 9157 CB GLU B 765 14.302 109.277 -6.234 1.00 31.39 C +ATOM 9158 CG GLU B 765 13.011 110.028 -6.086 1.00 33.43 C +ATOM 9159 CD GLU B 765 11.827 109.223 -6.573 1.00 34.29 C +ATOM 9160 OE1 GLU B 765 11.701 109.026 -7.798 1.00 33.79 O +ATOM 9161 OE2 GLU B 765 11.024 108.782 -5.721 1.00 36.05 O1- +ATOM 9162 H GLU B 765 13.272 109.253 -8.594 1.00 29.48 H +ATOM 9163 HA GLU B 765 15.489 110.553 -7.486 1.00 30.70 H +ATOM 9164 HB3 GLU B 765 14.936 109.480 -5.371 1.00 31.39 H +ATOM 9165 HB2 GLU B 765 14.108 108.208 -6.140 1.00 31.39 H +ATOM 9166 HG3 GLU B 765 13.069 110.962 -6.645 1.00 33.43 H +ATOM 9167 HG2 GLU B 765 12.863 110.293 -5.039 1.00 33.43 H +ATOM 9168 N ARG B 766 16.043 107.378 -8.057 1.00 31.26 N +ATOM 9169 CA ARG B 766 17.067 106.349 -8.103 1.00 32.37 C +ATOM 9170 C ARG B 766 18.305 106.724 -8.895 1.00 31.72 C +ATOM 9171 O ARG B 766 19.306 106.013 -8.854 1.00 31.97 O +ATOM 9172 CB ARG B 766 16.492 105.050 -8.661 1.00 34.80 C +ATOM 9173 CG ARG B 766 15.664 104.264 -7.669 1.00 37.98 C +ATOM 9174 CD ARG B 766 15.810 102.781 -7.963 1.00 41.39 C +ATOM 9175 NE ARG B 766 15.084 101.940 -7.018 1.00 44.36 N +ATOM 9176 CZ ARG B 766 15.185 100.614 -6.979 1.00 45.99 C +ATOM 9177 NH1 ARG B 766 15.986 99.984 -7.832 1.00 46.23 N +ATOM 9178 NH2 ARG B 766 14.485 99.918 -6.090 1.00 46.30 N1+ +ATOM 9179 H ARG B 766 15.138 107.169 -8.454 1.00 31.26 H +ATOM 9180 HA ARG B 766 17.381 106.153 -7.077 1.00 32.37 H +ATOM 9181 HB3 ARG B 766 17.305 104.424 -9.030 1.00 34.80 H +ATOM 9182 HB2 ARG B 766 15.887 105.272 -9.541 1.00 34.80 H +ATOM 9183 HG3 ARG B 766 14.617 104.551 -7.761 1.00 37.98 H +ATOM 9184 HG2 ARG B 766 16.017 104.470 -6.658 1.00 37.98 H +ATOM 9185 HD3 ARG B 766 16.866 102.511 -7.950 1.00 41.39 H +ATOM 9186 HD2 ARG B 766 15.458 102.576 -8.974 1.00 41.39 H +ATOM 9187 HE ARG B 766 14.477 102.420 -6.369 1.00 44.36 H +ATOM 9188 HH12 ARG B 766 16.063 98.977 -7.803 1.00 46.23 H +ATOM 9189 HH11 ARG B 766 16.517 100.512 -8.510 1.00 46.23 H +ATOM 9190 HH22 ARG B 766 14.563 98.911 -6.062 1.00 46.30 H +ATOM 9191 HH21 ARG B 766 13.874 100.395 -5.442 1.00 46.30 H +ATOM 9192 N SER B 767 18.244 107.830 -9.624 1.00 30.73 N +ATOM 9193 CA SER B 767 19.399 108.268 -10.398 1.00 29.89 C +ATOM 9194 C SER B 767 20.482 108.804 -9.465 1.00 28.82 C +ATOM 9195 O SER B 767 21.633 108.966 -9.866 1.00 29.39 O +ATOM 9196 CB SER B 767 18.994 109.358 -11.389 1.00 30.36 C +ATOM 9197 OG SER B 767 18.089 108.843 -12.350 1.00 32.36 O +ATOM 9198 H SER B 767 17.394 108.375 -9.646 1.00 30.73 H +ATOM 9199 HA SER B 767 19.798 107.418 -10.951 1.00 29.89 H +ATOM 9200 HB3 SER B 767 19.882 109.738 -11.893 1.00 30.36 H +ATOM 9201 HB2 SER B 767 18.522 110.181 -10.851 1.00 30.36 H +ATOM 9202 HG SER B 767 17.302 108.516 -11.907 1.00 32.36 H +ATOM 9203 N LEU B 768 20.112 109.085 -8.221 1.00 26.89 N +ATOM 9204 CA LEU B 768 21.066 109.613 -7.254 1.00 25.67 C +ATOM 9205 C LEU B 768 21.558 108.529 -6.309 1.00 25.42 C +ATOM 9206 O LEU B 768 20.963 107.455 -6.209 1.00 25.05 O +ATOM 9207 CB LEU B 768 20.420 110.700 -6.392 1.00 24.92 C +ATOM 9208 CG LEU B 768 19.879 111.990 -7.000 1.00 24.77 C +ATOM 9209 CD1 LEU B 768 19.206 112.809 -5.909 1.00 24.23 C +ATOM 9210 CD2 LEU B 768 21.003 112.778 -7.645 1.00 24.38 C +ATOM 9211 H LEU B 768 19.156 108.933 -7.932 1.00 26.89 H +ATOM 9212 HA LEU B 768 21.918 110.037 -7.786 1.00 25.67 H +ATOM 9213 HB3 LEU B 768 21.101 110.955 -5.580 1.00 24.92 H +ATOM 9214 HB2 LEU B 768 19.640 110.247 -5.781 1.00 24.92 H +ATOM 9215 HG LEU B 768 19.140 111.739 -7.762 1.00 24.77 H +ATOM 9216 HD11 LEU B 768 18.816 113.733 -6.336 1.00 24.23 H +ATOM 9217 HD12 LEU B 768 18.386 112.235 -5.476 1.00 24.23 H +ATOM 9218 HD13 LEU B 768 19.932 113.046 -5.132 1.00 24.23 H +ATOM 9219 HD21 LEU B 768 20.603 113.696 -8.075 1.00 24.38 H +ATOM 9220 HD22 LEU B 768 21.752 113.026 -6.893 1.00 24.38 H +ATOM 9221 HD23 LEU B 768 21.463 112.179 -8.431 1.00 24.38 H +ATOM 9222 N ASN B 769 22.655 108.817 -5.622 1.00 24.34 N +ATOM 9223 CA ASN B 769 23.170 107.909 -4.617 1.00 24.12 C +ATOM 9224 C ASN B 769 22.392 108.398 -3.389 1.00 23.87 C +ATOM 9225 O ASN B 769 22.771 109.392 -2.765 1.00 23.15 O +ATOM 9226 CB ASN B 769 24.667 108.131 -4.407 1.00 24.38 C +ATOM 9227 CG ASN B 769 25.244 107.233 -3.326 1.00 25.70 C +ATOM 9228 OD1 ASN B 769 24.528 106.799 -2.420 1.00 25.74 O +ATOM 9229 ND2 ASN B 769 26.546 106.963 -3.406 1.00 24.74 N +ATOM 9230 H ASN B 769 23.146 109.682 -5.796 1.00 24.34 H +ATOM 9231 HA ASN B 769 22.943 106.870 -4.854 1.00 24.12 H +ATOM 9232 HB3 ASN B 769 24.845 109.174 -4.145 1.00 24.38 H +ATOM 9233 HB2 ASN B 769 25.194 107.955 -5.345 1.00 24.38 H +ATOM 9234 HD22 ASN B 769 26.983 106.371 -2.714 1.00 24.74 H +ATOM 9235 HD21 ASN B 769 27.097 107.352 -4.159 1.00 24.74 H +ATOM 9236 N LEU B 770 21.292 107.731 -3.062 1.00 23.52 N +ATOM 9237 CA LEU B 770 20.473 108.148 -1.926 1.00 24.47 C +ATOM 9238 C LEU B 770 21.175 107.984 -0.579 1.00 24.56 C +ATOM 9239 O LEU B 770 20.886 108.713 0.366 1.00 24.08 O +ATOM 9240 CB LEU B 770 19.141 107.387 -1.925 1.00 24.44 C +ATOM 9241 CG LEU B 770 18.268 107.584 -3.176 1.00 25.25 C +ATOM 9242 CD1 LEU B 770 16.986 106.761 -3.041 1.00 26.43 C +ATOM 9243 CD2 LEU B 770 17.942 109.061 -3.366 1.00 24.48 C +ATOM 9244 H LEU B 770 21.012 106.924 -3.601 1.00 23.52 H +ATOM 9245 HA LEU B 770 20.247 109.207 -2.054 1.00 24.47 H +ATOM 9246 HB3 LEU B 770 18.569 107.664 -1.039 1.00 24.44 H +ATOM 9247 HB2 LEU B 770 19.334 106.323 -1.784 1.00 24.44 H +ATOM 9248 HG LEU B 770 18.820 107.232 -4.047 1.00 25.25 H +ATOM 9249 HD11 LEU B 770 16.369 106.901 -3.928 1.00 26.43 H +ATOM 9250 HD12 LEU B 770 17.240 105.706 -2.939 1.00 26.43 H +ATOM 9251 HD13 LEU B 770 16.435 107.088 -2.160 1.00 26.43 H +ATOM 9252 HD21 LEU B 770 17.324 109.186 -4.255 1.00 24.48 H +ATOM 9253 HD22 LEU B 770 17.402 109.430 -2.494 1.00 24.48 H +ATOM 9254 HD23 LEU B 770 18.867 109.626 -3.486 1.00 24.48 H +ATOM 9255 N LYS B 771 22.101 107.033 -0.504 1.00 24.92 N +ATOM 9256 CA LYS B 771 22.852 106.780 0.717 1.00 25.54 C +ATOM 9257 C LYS B 771 23.749 107.962 1.077 1.00 24.78 C +ATOM 9258 O LYS B 771 23.736 108.432 2.214 1.00 23.85 O +ATOM 9259 CB LYS B 771 23.718 105.520 0.556 1.00 27.97 C +ATOM 9260 CG LYS B 771 24.800 105.353 1.632 1.00 31.37 C +ATOM 9261 CD LYS B 771 26.120 104.831 1.035 1.00 34.26 C +ATOM 9262 CE LYS B 771 26.621 105.741 -0.104 1.00 36.45 C +ATOM 9263 NZ LYS B 771 27.976 105.379 -0.656 1.00 36.67 N1+ +ATOM 9264 H LYS B 771 22.302 106.460 -1.311 1.00 24.92 H +ATOM 9265 HA LYS B 771 22.147 106.616 1.532 1.00 25.54 H +ATOM 9266 HB3 LYS B 771 24.186 105.527 -0.428 1.00 27.97 H +ATOM 9267 HB2 LYS B 771 23.076 104.639 0.550 1.00 27.97 H +ATOM 9268 HG3 LYS B 771 24.448 104.660 2.396 1.00 31.37 H +ATOM 9269 HG2 LYS B 771 24.977 106.312 2.120 1.00 31.37 H +ATOM 9270 HD3 LYS B 771 25.971 103.821 0.653 1.00 34.26 H +ATOM 9271 HD2 LYS B 771 26.877 104.779 1.817 1.00 34.26 H +ATOM 9272 HE3 LYS B 771 26.636 106.775 0.241 1.00 36.45 H +ATOM 9273 HE2 LYS B 771 25.891 105.741 -0.913 1.00 36.45 H +ATOM 9274 HZ1 LYS B 771 28.650 105.352 0.096 1.00 36.67 H +ATOM 9275 HZ2 LYS B 771 27.929 104.473 -1.098 1.00 36.67 H +ATOM 9276 HZ3 LYS B 771 28.259 106.071 -1.335 1.00 36.67 H +ATOM 9277 N SER B 772 24.536 108.437 0.116 1.00 23.66 N +ATOM 9278 CA SER B 772 25.429 109.554 0.394 1.00 23.07 C +ATOM 9279 C SER B 772 24.637 110.847 0.568 1.00 22.80 C +ATOM 9280 O SER B 772 25.080 111.757 1.274 1.00 22.09 O +ATOM 9281 CB SER B 772 26.478 109.705 -0.715 1.00 22.62 C +ATOM 9282 OG SER B 772 25.874 109.934 -1.972 1.00 24.86 O +ATOM 9283 H SER B 772 24.514 108.023 -0.805 1.00 23.66 H +ATOM 9284 HA SER B 772 25.951 109.348 1.329 1.00 23.07 H +ATOM 9285 HB3 SER B 772 27.087 108.802 -0.764 1.00 22.62 H +ATOM 9286 HB2 SER B 772 27.142 110.535 -0.475 1.00 22.62 H +ATOM 9287 HG SER B 772 25.433 109.134 -2.266 1.00 24.86 H +ATOM 9288 N LEU B 773 23.465 110.932 -0.060 1.00 21.66 N +ATOM 9289 CA LEU B 773 22.650 112.133 0.088 1.00 21.88 C +ATOM 9290 C LEU B 773 22.065 112.167 1.500 1.00 21.27 C +ATOM 9291 O LEU B 773 22.083 113.204 2.164 1.00 21.52 O +ATOM 9292 CB LEU B 773 21.518 112.165 -0.945 1.00 21.31 C +ATOM 9293 CG LEU B 773 20.974 113.573 -1.241 1.00 22.42 C +ATOM 9294 CD1 LEU B 773 20.125 113.543 -2.502 1.00 22.36 C +ATOM 9295 CD2 LEU B 773 20.172 114.094 -0.070 1.00 22.71 C +ATOM 9296 H LEU B 773 23.144 110.166 -0.636 1.00 21.66 H +ATOM 9297 HA LEU B 773 23.283 113.009 -0.054 1.00 21.88 H +ATOM 9298 HB3 LEU B 773 20.702 111.526 -0.607 1.00 21.31 H +ATOM 9299 HB2 LEU B 773 21.863 111.709 -1.873 1.00 21.31 H +ATOM 9300 HG LEU B 773 21.818 114.242 -1.407 1.00 22.42 H +ATOM 9301 HD11 LEU B 773 19.742 114.543 -2.706 1.00 22.36 H +ATOM 9302 HD12 LEU B 773 20.733 113.209 -3.342 1.00 22.36 H +ATOM 9303 HD13 LEU B 773 19.290 112.857 -2.362 1.00 22.36 H +ATOM 9304 HD21 LEU B 773 19.797 115.091 -0.301 1.00 22.71 H +ATOM 9305 HD22 LEU B 773 19.332 113.426 0.122 1.00 22.71 H +ATOM 9306 HD23 LEU B 773 20.808 114.141 0.814 1.00 22.71 H +ATOM 9307 N LEU B 774 21.550 111.029 1.956 1.00 21.14 N +ATOM 9308 CA LEU B 774 20.968 110.931 3.293 1.00 20.72 C +ATOM 9309 C LEU B 774 21.995 111.287 4.367 1.00 20.61 C +ATOM 9310 O LEU B 774 21.723 112.091 5.263 1.00 20.37 O +ATOM 9311 CB LEU B 774 20.437 109.516 3.537 1.00 19.85 C +ATOM 9312 CG LEU B 774 19.880 109.201 4.933 1.00 20.50 C +ATOM 9313 CD1 LEU B 774 18.682 110.102 5.259 1.00 19.63 C +ATOM 9314 CD2 LEU B 774 19.462 107.725 4.976 1.00 20.02 C +ATOM 9315 H LEU B 774 21.555 110.203 1.374 1.00 21.14 H +ATOM 9316 HA LEU B 774 20.136 111.632 3.362 1.00 20.72 H +ATOM 9317 HB3 LEU B 774 21.216 108.794 3.291 1.00 19.85 H +ATOM 9318 HB2 LEU B 774 19.680 109.284 2.789 1.00 19.85 H +ATOM 9319 HG LEU B 774 20.662 109.369 5.673 1.00 20.50 H +ATOM 9320 HD11 LEU B 774 18.304 109.860 6.252 1.00 19.63 H +ATOM 9321 HD12 LEU B 774 18.995 111.146 5.234 1.00 19.63 H +ATOM 9322 HD13 LEU B 774 17.895 109.941 4.522 1.00 19.63 H +ATOM 9323 HD21 LEU B 774 19.064 107.488 5.963 1.00 20.02 H +ATOM 9324 HD22 LEU B 774 18.696 107.541 4.223 1.00 20.02 H +ATOM 9325 HD23 LEU B 774 20.328 107.095 4.773 1.00 20.02 H +ATOM 9326 N GLN B 775 23.180 110.693 4.277 1.00 20.83 N +ATOM 9327 CA GLN B 775 24.217 110.962 5.261 1.00 20.91 C +ATOM 9328 C GLN B 775 24.646 112.428 5.229 1.00 20.12 C +ATOM 9329 O GLN B 775 24.932 113.008 6.269 1.00 19.78 O +ATOM 9330 CB GLN B 775 25.425 110.048 5.037 1.00 22.18 C +ATOM 9331 CG GLN B 775 26.463 110.129 6.163 1.00 24.15 C +ATOM 9332 CD GLN B 775 27.274 108.849 6.311 1.00 26.52 C +ATOM 9333 OE1 GLN B 775 27.597 108.183 5.321 1.00 28.09 O +ATOM 9334 NE2 GLN B 775 27.616 108.503 7.552 1.00 26.64 N +ATOM 9335 H GLN B 775 23.366 110.049 3.521 1.00 20.83 H +ATOM 9336 HA GLN B 775 23.810 110.749 6.249 1.00 20.91 H +ATOM 9337 HB3 GLN B 775 25.899 110.301 4.088 1.00 22.18 H +ATOM 9338 HB2 GLN B 775 25.085 109.018 4.932 1.00 22.18 H +ATOM 9339 HG3 GLN B 775 25.960 110.350 7.104 1.00 24.15 H +ATOM 9340 HG2 GLN B 775 27.137 110.965 5.975 1.00 24.15 H +ATOM 9341 HE22 GLN B 775 28.154 107.664 7.713 1.00 26.64 H +ATOM 9342 HE21 GLN B 775 27.337 109.081 8.332 1.00 26.64 H +ATOM 9343 N TRP B 776 24.679 113.026 4.041 1.00 19.58 N +ATOM 9344 CA TRP B 776 25.061 114.427 3.918 1.00 19.06 C +ATOM 9345 C TRP B 776 24.040 115.360 4.571 1.00 18.91 C +ATOM 9346 O TRP B 776 24.405 116.167 5.423 1.00 18.82 O +ATOM 9347 CB TRP B 776 25.224 114.825 2.447 1.00 18.80 C +ATOM 9348 CG TRP B 776 25.514 116.298 2.252 1.00 18.71 C +ATOM 9349 CD1 TRP B 776 26.733 116.924 2.343 1.00 19.05 C +ATOM 9350 CD2 TRP B 776 24.562 117.323 1.930 1.00 18.77 C +ATOM 9351 NE1 TRP B 776 26.596 118.273 2.089 1.00 18.64 N +ATOM 9352 CE2 TRP B 776 25.274 118.545 1.833 1.00 18.86 C +ATOM 9353 CE3 TRP B 776 23.175 117.327 1.710 1.00 18.23 C +ATOM 9354 CZ2 TRP B 776 24.643 119.761 1.526 1.00 18.50 C +ATOM 9355 CZ3 TRP B 776 22.548 118.537 1.402 1.00 19.03 C +ATOM 9356 CH2 TRP B 776 23.286 119.738 1.313 1.00 18.58 C +ATOM 9357 H TRP B 776 24.437 112.508 3.208 1.00 19.58 H +ATOM 9358 HA TRP B 776 26.020 114.565 4.418 1.00 19.06 H +ATOM 9359 HB3 TRP B 776 24.321 114.559 1.898 1.00 18.80 H +ATOM 9360 HB2 TRP B 776 26.025 114.237 1.999 1.00 18.80 H +ATOM 9361 HD1 TRP B 776 27.617 116.353 2.584 1.00 19.05 H +ATOM 9362 HE1 TRP B 776 27.406 118.876 2.114 1.00 18.64 H +ATOM 9363 HE3 TRP B 776 22.615 116.406 1.781 1.00 18.23 H +ATOM 9364 HZ2 TRP B 776 25.223 120.670 1.465 1.00 18.50 H +ATOM 9365 HZ3 TRP B 776 21.483 118.565 1.228 1.00 19.03 H +ATOM 9366 HH2 TRP B 776 22.762 120.651 1.072 1.00 18.58 H +ATOM 9367 N VAL B 777 22.766 115.257 4.185 1.00 18.81 N +ATOM 9368 CA VAL B 777 21.753 116.151 4.753 1.00 18.73 C +ATOM 9369 C VAL B 777 21.604 116.032 6.274 1.00 18.75 C +ATOM 9370 O VAL B 777 21.473 117.045 6.972 1.00 17.84 O +ATOM 9371 CB VAL B 777 20.358 115.974 4.069 1.00 18.54 C +ATOM 9372 CG1 VAL B 777 19.823 114.561 4.272 1.00 19.22 C +ATOM 9373 CG2 VAL B 777 19.376 117.002 4.640 1.00 18.14 C +ATOM 9374 H VAL B 777 22.501 114.563 3.500 1.00 18.81 H +ATOM 9375 HA VAL B 777 22.079 117.170 4.546 1.00 18.73 H +ATOM 9376 HB VAL B 777 20.469 116.154 3.000 1.00 18.54 H +ATOM 9377 HG11 VAL B 777 18.852 114.466 3.786 1.00 19.22 H +ATOM 9378 HG12 VAL B 777 20.518 113.843 3.837 1.00 19.22 H +ATOM 9379 HG13 VAL B 777 19.716 114.363 5.339 1.00 19.22 H +ATOM 9380 HG21 VAL B 777 18.403 116.879 4.163 1.00 18.14 H +ATOM 9381 HG22 VAL B 777 19.275 116.850 5.715 1.00 18.14 H +ATOM 9382 HG23 VAL B 777 19.750 118.007 4.448 1.00 18.14 H +ATOM 9383 N THR B 778 21.638 114.810 6.795 1.00 18.74 N +ATOM 9384 CA THR B 778 21.512 114.629 8.240 1.00 19.48 C +ATOM 9385 C THR B 778 22.683 115.291 8.973 1.00 19.80 C +ATOM 9386 O THR B 778 22.533 115.752 10.104 1.00 18.45 O +ATOM 9387 CB THR B 778 21.425 113.132 8.624 1.00 20.07 C +ATOM 9388 OG1 THR B 778 22.550 112.421 8.087 1.00 20.97 O +ATOM 9389 CG2 THR B 778 20.124 112.526 8.075 1.00 19.74 C +ATOM 9390 H THR B 778 21.751 114.007 6.193 1.00 18.74 H +ATOM 9391 HA THR B 778 20.592 115.116 8.563 1.00 19.48 H +ATOM 9392 HB THR B 778 21.431 113.042 9.710 1.00 20.07 H +ATOM 9393 HG1 THR B 778 22.404 112.247 7.154 1.00 20.97 H +ATOM 9394 HG21 THR B 778 20.070 111.472 8.349 1.00 19.74 H +ATOM 9395 HG22 THR B 778 19.270 113.055 8.498 1.00 19.74 H +ATOM 9396 HG23 THR B 778 20.108 112.620 6.989 1.00 19.74 H +ATOM 9397 N SER B 779 23.838 115.361 8.315 1.00 19.76 N +ATOM 9398 CA SER B 779 25.011 115.992 8.910 1.00 20.55 C +ATOM 9399 C SER B 779 24.886 117.514 8.920 1.00 20.47 C +ATOM 9400 O SER B 779 25.615 118.192 9.647 1.00 20.51 O +ATOM 9401 CB SER B 779 26.280 115.602 8.141 1.00 21.24 C +ATOM 9402 OG SER B 779 26.564 114.224 8.280 1.00 22.14 O +ATOM 9403 H SER B 779 23.914 114.973 7.386 1.00 19.76 H +ATOM 9404 HA SER B 779 25.108 115.644 9.938 1.00 20.55 H +ATOM 9405 HB3 SER B 779 27.123 116.185 8.513 1.00 21.24 H +ATOM 9406 HB2 SER B 779 26.153 115.842 7.086 1.00 21.24 H +ATOM 9407 HG SER B 779 26.055 113.726 7.636 1.00 22.14 H +ATOM 9408 N ARG B 780 23.969 118.051 8.117 1.00 20.01 N +ATOM 9409 CA ARG B 780 23.782 119.498 8.047 1.00 19.89 C +ATOM 9410 C ARG B 780 22.996 120.068 9.233 1.00 20.28 C +ATOM 9411 O ARG B 780 22.889 121.292 9.375 1.00 19.78 O +ATOM 9412 CB ARG B 780 23.097 119.888 6.730 1.00 19.49 C +ATOM 9413 CG ARG B 780 23.841 119.434 5.458 1.00 19.81 C +ATOM 9414 CD ARG B 780 25.092 120.272 5.159 1.00 19.21 C +ATOM 9415 NE ARG B 780 26.153 120.119 6.152 1.00 18.61 N +ATOM 9416 CZ ARG B 780 26.952 119.057 6.247 1.00 18.97 C +ATOM 9417 NH1 ARG B 780 26.814 118.042 5.405 1.00 18.39 N +ATOM 9418 NH2 ARG B 780 27.897 119.010 7.184 1.00 17.23 N1+ +ATOM 9419 H ARG B 780 23.389 117.455 7.543 1.00 20.01 H +ATOM 9420 HA ARG B 780 24.770 119.959 8.054 1.00 19.89 H +ATOM 9421 HB3 ARG B 780 22.959 120.968 6.701 1.00 19.49 H +ATOM 9422 HB2 ARG B 780 22.084 119.486 6.718 1.00 19.49 H +ATOM 9423 HG3 ARG B 780 23.163 119.480 4.606 1.00 19.81 H +ATOM 9424 HG2 ARG B 780 24.123 118.386 5.558 1.00 19.81 H +ATOM 9425 HD3 ARG B 780 24.814 121.323 5.086 1.00 19.21 H +ATOM 9426 HD2 ARG B 780 25.477 120.008 4.175 1.00 19.21 H +ATOM 9427 HE ARG B 780 26.260 120.891 6.794 1.00 18.61 H +ATOM 9428 HH12 ARG B 780 27.421 117.238 5.479 1.00 18.39 H +ATOM 9429 HH11 ARG B 780 26.102 118.073 4.689 1.00 18.39 H +ATOM 9430 HH22 ARG B 780 28.501 118.203 7.252 1.00 17.23 H +ATOM 9431 HH21 ARG B 780 28.010 119.781 7.826 1.00 17.23 H +ATOM 9432 N GLN B 781 22.429 119.203 10.076 1.00 20.16 N +ATOM 9433 CA GLN B 781 21.713 119.707 11.253 1.00 20.40 C +ATOM 9434 C GLN B 781 22.791 119.990 12.299 1.00 20.39 C +ATOM 9435 O GLN B 781 23.614 119.127 12.598 1.00 19.96 O +ATOM 9436 CB GLN B 781 20.695 118.687 11.801 1.00 19.74 C +ATOM 9437 CG GLN B 781 19.935 119.205 13.032 1.00 19.75 C +ATOM 9438 CD GLN B 781 18.628 118.464 13.326 1.00 20.26 C +ATOM 9439 OE1 GLN B 781 18.503 117.263 13.078 1.00 19.87 O +ATOM 9440 NE2 GLN B 781 17.655 119.185 13.887 1.00 19.70 N +ATOM 9441 H GLN B 781 22.495 118.210 9.900 1.00 20.16 H +ATOM 9442 HA GLN B 781 21.199 120.634 10.998 1.00 20.40 H +ATOM 9443 HB3 GLN B 781 21.212 117.762 12.058 1.00 19.74 H +ATOM 9444 HB2 GLN B 781 19.983 118.429 11.017 1.00 19.74 H +ATOM 9445 HG3 GLN B 781 19.727 120.268 12.907 1.00 19.75 H +ATOM 9446 HG2 GLN B 781 20.584 119.153 13.905 1.00 19.75 H +ATOM 9447 HE22 GLN B 781 16.769 118.753 14.105 1.00 19.70 H +ATOM 9448 HE21 GLN B 781 17.805 120.162 14.092 1.00 19.70 H +ATOM 9449 N MET B 782 22.778 121.200 12.850 1.00 20.72 N +ATOM 9450 CA MET B 782 23.777 121.615 13.830 1.00 21.10 C +ATOM 9451 C MET B 782 23.564 120.999 15.207 1.00 21.37 C +ATOM 9452 O MET B 782 22.513 121.175 15.823 1.00 20.67 O +ATOM 9453 CB MET B 782 23.777 123.139 13.932 1.00 21.48 C +ATOM 9454 CG MET B 782 23.777 123.850 12.573 1.00 22.33 C +ATOM 9455 SD MET B 782 25.227 123.496 11.544 1.00 22.57 S +ATOM 9456 CE MET B 782 26.402 124.723 12.198 1.00 23.02 C +ATOM 9457 H MET B 782 22.062 121.864 12.593 1.00 20.72 H +ATOM 9458 HA MET B 782 24.756 121.301 13.468 1.00 21.10 H +ATOM 9459 HB3 MET B 782 24.643 123.463 14.509 1.00 21.48 H +ATOM 9460 HB2 MET B 782 22.911 123.463 14.509 1.00 21.48 H +ATOM 9461 HG3 MET B 782 23.699 124.926 12.729 1.00 22.33 H +ATOM 9462 HG2 MET B 782 22.873 123.584 12.026 1.00 22.33 H +ATOM 9463 HE1 MET B 782 27.351 124.637 11.668 1.00 23.02 H +ATOM 9464 HE2 MET B 782 25.998 125.725 12.057 1.00 23.02 H +ATOM 9465 HE3 MET B 782 26.563 124.543 13.261 1.00 23.02 H +ATOM 9466 N ARG B 783 24.575 120.291 15.700 1.00 21.51 N +ATOM 9467 CA ARG B 783 24.469 119.640 17.000 1.00 22.26 C +ATOM 9468 C ARG B 783 24.130 120.602 18.135 1.00 22.06 C +ATOM 9469 O ARG B 783 23.399 120.240 19.058 1.00 21.66 O +ATOM 9470 CB ARG B 783 25.761 118.883 17.329 1.00 23.65 C +ATOM 9471 CG ARG B 783 26.981 119.767 17.524 1.00 26.14 C +ATOM 9472 CD ARG B 783 28.242 118.939 17.768 1.00 28.13 C +ATOM 9473 NE ARG B 783 28.706 118.282 16.550 1.00 31.04 N +ATOM 9474 CZ ARG B 783 28.432 117.029 16.205 1.00 32.88 C +ATOM 9475 NH1 ARG B 783 27.686 116.257 16.991 1.00 34.28 N +ATOM 9476 NH2 ARG B 783 28.900 116.547 15.057 1.00 34.05 N1+ +ATOM 9477 H ARG B 783 25.431 120.198 15.173 1.00 21.51 H +ATOM 9478 HA ARG B 783 23.664 118.907 16.937 1.00 22.26 H +ATOM 9479 HB3 ARG B 783 25.964 118.157 16.542 1.00 23.65 H +ATOM 9480 HB2 ARG B 783 25.607 118.278 18.222 1.00 23.65 H +ATOM 9481 HG3 ARG B 783 26.815 120.433 18.371 1.00 26.14 H +ATOM 9482 HG2 ARG B 783 27.122 120.391 16.641 1.00 26.14 H +ATOM 9483 HD3 ARG B 783 28.040 118.187 18.531 1.00 28.13 H +ATOM 9484 HD2 ARG B 783 29.031 119.584 18.155 1.00 28.13 H +ATOM 9485 HE ARG B 783 29.278 118.859 15.949 1.00 31.04 H +ATOM 9486 HH12 ARG B 783 27.484 115.305 16.718 1.00 34.28 H +ATOM 9487 HH11 ARG B 783 27.322 116.622 17.859 1.00 34.28 H +ATOM 9488 HH22 ARG B 783 28.695 115.595 14.789 1.00 34.05 H +ATOM 9489 HH21 ARG B 783 29.460 117.133 14.454 1.00 34.05 H +ATOM 9490 N PHE B 784 24.649 121.825 18.085 1.00 21.85 N +ATOM 9491 CA PHE B 784 24.344 122.762 19.157 1.00 21.91 C +ATOM 9492 C PHE B 784 23.083 123.588 18.930 1.00 21.51 C +ATOM 9493 O PHE B 784 22.186 123.587 19.768 1.00 20.95 O +ATOM 9494 CB PHE B 784 25.505 123.722 19.421 1.00 23.08 C +ATOM 9495 CG PHE B 784 25.275 124.611 20.619 1.00 24.38 C +ATOM 9496 CD1 PHE B 784 25.377 124.097 21.910 1.00 24.48 C +ATOM 9497 CD2 PHE B 784 24.870 125.933 20.457 1.00 24.17 C +ATOM 9498 CE1 PHE B 784 25.072 124.887 23.026 1.00 25.53 C +ATOM 9499 CE2 PHE B 784 24.563 126.734 21.565 1.00 24.96 C +ATOM 9500 CZ PHE B 784 24.663 126.210 22.851 1.00 24.27 C +ATOM 9501 H PHE B 784 25.243 122.090 17.313 1.00 21.85 H +ATOM 9502 HA PHE B 784 24.192 122.179 20.065 1.00 21.91 H +ATOM 9503 HB3 PHE B 784 25.672 124.340 18.539 1.00 23.08 H +ATOM 9504 HB2 PHE B 784 26.422 123.151 19.565 1.00 23.08 H +ATOM 9505 HD1 PHE B 784 25.695 123.076 22.060 1.00 24.48 H +ATOM 9506 HD2 PHE B 784 24.789 126.355 19.466 1.00 24.17 H +ATOM 9507 HE1 PHE B 784 25.154 124.472 24.020 1.00 25.53 H +ATOM 9508 HE2 PHE B 784 24.249 127.758 21.421 1.00 24.96 H +ATOM 9509 HZ PHE B 784 24.426 126.820 23.710 1.00 24.27 H +ATOM 9510 N GLU B 785 23.013 124.288 17.799 1.00 20.77 N +ATOM 9511 CA GLU B 785 21.867 125.143 17.511 1.00 20.53 C +ATOM 9512 C GLU B 785 20.554 124.406 17.292 1.00 20.09 C +ATOM 9513 O GLU B 785 19.494 124.915 17.653 1.00 19.92 O +ATOM 9514 CB GLU B 785 22.152 126.036 16.296 1.00 20.95 C +ATOM 9515 CG GLU B 785 23.410 126.883 16.425 1.00 21.72 C +ATOM 9516 CD GLU B 785 24.644 126.184 15.886 1.00 22.38 C +ATOM 9517 OE1 GLU B 785 25.042 125.135 16.439 1.00 22.03 O +ATOM 9518 OE2 GLU B 785 25.215 126.689 14.896 1.00 23.42 O1- +ATOM 9519 H GLU B 785 23.762 124.232 17.124 1.00 20.77 H +ATOM 9520 HA GLU B 785 21.730 125.800 18.369 1.00 20.53 H +ATOM 9521 HB3 GLU B 785 21.296 126.686 16.116 1.00 20.95 H +ATOM 9522 HB2 GLU B 785 22.224 125.417 15.401 1.00 20.95 H +ATOM 9523 HG3 GLU B 785 23.568 127.140 17.472 1.00 21.72 H +ATOM 9524 HG2 GLU B 785 23.268 127.826 15.896 1.00 21.72 H +ATOM 9525 N GLY B 786 20.619 123.220 16.695 1.00 19.62 N +ATOM 9526 CA GLY B 786 19.409 122.457 16.445 1.00 18.66 C +ATOM 9527 C GLY B 786 18.845 122.698 15.057 1.00 18.65 C +ATOM 9528 O GLY B 786 18.086 121.878 14.541 1.00 18.02 O +ATOM 9529 H GLY B 786 21.513 122.845 16.412 1.00 19.62 H +ATOM 9530 HA3 GLY B 786 18.658 122.716 17.191 1.00 18.66 H +ATOM 9531 HA2 GLY B 786 19.617 121.395 16.573 1.00 18.66 H +ATOM 9532 N GLY B 787 19.204 123.830 14.457 1.00 18.86 N +ATOM 9533 CA GLY B 787 18.735 124.147 13.119 1.00 18.59 C +ATOM 9534 C GLY B 787 19.679 123.562 12.077 1.00 18.77 C +ATOM 9535 O GLY B 787 20.577 122.789 12.411 1.00 18.48 O +ATOM 9536 H GLY B 787 19.811 124.483 14.932 1.00 18.86 H +ATOM 9537 HA3 GLY B 787 18.687 125.229 12.998 1.00 18.59 H +ATOM 9538 HA2 GLY B 787 17.737 123.734 12.977 1.00 18.59 H +ATOM 9539 N PHE B 788 19.481 123.928 10.817 1.00 18.39 N +ATOM 9540 CA PHE B 788 20.321 123.425 9.737 1.00 18.77 C +ATOM 9541 C PHE B 788 21.171 124.518 9.088 1.00 19.11 C +ATOM 9542 O PHE B 788 20.770 125.681 9.035 1.00 19.58 O +ATOM 9543 CB PHE B 788 19.466 122.782 8.633 1.00 17.75 C +ATOM 9544 CG PHE B 788 18.893 121.436 8.993 1.00 17.93 C +ATOM 9545 CD1 PHE B 788 17.779 121.332 9.823 1.00 17.49 C +ATOM 9546 CD2 PHE B 788 19.451 120.271 8.468 1.00 17.89 C +ATOM 9547 CE1 PHE B 788 17.221 120.077 10.125 1.00 17.38 C +ATOM 9548 CE2 PHE B 788 18.905 119.012 8.759 1.00 17.69 C +ATOM 9549 CZ PHE B 788 17.787 118.915 9.589 1.00 17.39 C +ATOM 9550 H PHE B 788 18.735 124.569 10.588 1.00 18.39 H +ATOM 9551 HA PHE B 788 20.988 122.665 10.144 1.00 18.77 H +ATOM 9552 HB3 PHE B 788 20.060 122.689 7.724 1.00 17.75 H +ATOM 9553 HB2 PHE B 788 18.655 123.459 8.363 1.00 17.75 H +ATOM 9554 HD1 PHE B 788 17.334 122.221 10.244 1.00 17.49 H +ATOM 9555 HD2 PHE B 788 20.318 120.329 7.827 1.00 17.89 H +ATOM 9556 HE1 PHE B 788 16.357 120.011 10.769 1.00 17.38 H +ATOM 9557 HE2 PHE B 788 19.350 118.121 8.340 1.00 17.69 H +ATOM 9558 HZ PHE B 788 17.359 117.951 9.818 1.00 17.39 H +ATOM 9559 N GLN B 789 22.345 124.128 8.598 1.00 19.11 N +ATOM 9560 CA GLN B 789 23.239 125.042 7.889 1.00 19.78 C +ATOM 9561 C GLN B 789 22.974 124.734 6.402 1.00 19.62 C +ATOM 9562 O GLN B 789 22.363 123.715 6.086 1.00 20.12 O +ATOM 9563 CB GLN B 789 24.714 124.760 8.252 1.00 18.97 C +ATOM 9564 CG GLN B 789 25.206 123.368 7.852 1.00 19.54 C +ATOM 9565 CD GLN B 789 26.595 123.034 8.391 1.00 19.95 C +ATOM 9566 OE1 GLN B 789 27.006 121.786 8.218 1.00 20.75 O +ATOM 9567 NE2 GLN B 789 27.287 123.888 8.952 1.00 18.75 N +ATOM 9568 H GLN B 789 22.646 123.171 8.709 1.00 19.11 H +ATOM 9569 HA GLN B 789 22.983 126.077 8.115 1.00 19.78 H +ATOM 9570 HB3 GLN B 789 24.855 124.899 9.324 1.00 18.97 H +ATOM 9571 HB2 GLN B 789 25.350 125.515 7.789 1.00 18.97 H +ATOM 9572 HG3 GLN B 789 25.209 123.283 6.766 1.00 19.54 H +ATOM 9573 HG2 GLN B 789 24.494 122.619 8.200 1.00 19.54 H +ATOM 9574 HE22 GLN B 789 28.203 123.646 9.301 1.00 18.75 H +ATOM 9575 HE21 GLN B 789 26.937 124.829 9.062 1.00 18.75 H +ATOM 9576 N GLY B 790 23.419 125.609 5.503 1.00 19.71 N +ATOM 9577 CA GLY B 790 23.192 125.403 4.080 1.00 19.56 C +ATOM 9578 C GLY B 790 24.250 124.552 3.401 1.00 19.59 C +ATOM 9579 O GLY B 790 24.005 123.936 2.361 1.00 19.64 O +ATOM 9580 H GLY B 790 23.923 126.431 5.805 1.00 19.71 H +ATOM 9581 HA3 GLY B 790 23.130 126.370 3.580 1.00 19.56 H +ATOM 9582 HA2 GLY B 790 22.213 124.947 3.933 1.00 19.56 H +ATOM 9583 N ARG B 791 25.439 124.535 3.985 1.00 19.48 N +ATOM 9584 CA ARG B 791 26.546 123.741 3.466 1.00 19.89 C +ATOM 9585 C ARG B 791 27.540 123.524 4.592 1.00 19.84 C +ATOM 9586 O ARG B 791 27.583 124.297 5.553 1.00 19.71 O +ATOM 9587 CB ARG B 791 27.215 124.433 2.266 1.00 19.57 C +ATOM 9588 CG ARG B 791 27.253 125.957 2.337 1.00 20.32 C +ATOM 9589 CD ARG B 791 27.988 126.557 1.135 1.00 19.75 C +ATOM 9590 NE ARG B 791 27.753 127.996 1.036 1.00 20.63 N +ATOM 9591 CZ ARG B 791 28.512 128.838 0.337 1.00 20.79 C +ATOM 9592 NH1 ARG B 791 29.573 128.393 -0.330 1.00 20.73 N +ATOM 9593 NH2 ARG B 791 28.208 130.129 0.302 1.00 20.28 N1+ +ATOM 9594 H ARG B 791 25.601 125.083 4.818 1.00 19.48 H +ATOM 9595 HA ARG B 791 26.163 122.773 3.144 1.00 19.89 H +ATOM 9596 HB3 ARG B 791 26.714 124.127 1.348 1.00 19.57 H +ATOM 9597 HB2 ARG B 791 28.230 124.052 2.150 1.00 19.57 H +ATOM 9598 HG3 ARG B 791 27.750 126.266 3.257 1.00 20.32 H +ATOM 9599 HG2 ARG B 791 26.235 126.344 2.369 1.00 20.32 H +ATOM 9600 HD3 ARG B 791 27.648 126.070 0.222 1.00 19.75 H +ATOM 9601 HD2 ARG B 791 29.057 126.370 1.234 1.00 19.75 H +ATOM 9602 HE ARG B 791 26.952 128.341 1.544 1.00 20.63 H +ATOM 9603 HH12 ARG B 791 30.145 129.036 -0.858 1.00 20.73 H +ATOM 9604 HH11 ARG B 791 29.807 127.410 -0.308 1.00 20.73 H +ATOM 9605 HH22 ARG B 791 28.783 130.769 -0.228 1.00 20.28 H +ATOM 9606 HH21 ARG B 791 27.402 130.472 0.804 1.00 20.28 H +ATOM 9607 N CYS B 792 28.324 122.459 4.482 1.00 19.96 N +ATOM 9608 CA CYS B 792 29.295 122.132 5.509 1.00 20.15 C +ATOM 9609 C CYS B 792 30.169 123.322 5.879 1.00 20.50 C +ATOM 9610 O CYS B 792 30.638 124.063 5.012 1.00 19.59 O +ATOM 9611 CB CYS B 792 30.179 120.971 5.055 1.00 20.50 C +ATOM 9612 SG CYS B 792 31.358 120.456 6.318 1.00 21.86 S +ATOM 9613 H CYS B 792 28.251 121.860 3.673 1.00 19.96 H +ATOM 9614 HA CYS B 792 28.753 121.818 6.401 1.00 20.15 H +ATOM 9615 HB3 CYS B 792 30.718 121.257 4.152 1.00 20.50 H +ATOM 9616 HB2 CYS B 792 29.551 120.124 4.779 1.00 20.50 H +ATOM 9617 HG CYS B 792 32.157 121.481 6.626 1.00 21.86 H +ATOM 9618 N ASN B 793 30.370 123.487 7.184 1.00 20.56 N +ATOM 9619 CA ASN B 793 31.183 124.557 7.750 1.00 20.65 C +ATOM 9620 C ASN B 793 30.694 125.987 7.551 1.00 20.74 C +ATOM 9621 O ASN B 793 31.481 126.934 7.606 1.00 20.01 O +ATOM 9622 CB ASN B 793 32.641 124.431 7.299 1.00 20.91 C +ATOM 9623 CG ASN B 793 33.470 123.582 8.255 1.00 22.04 C +ATOM 9624 OD1 ASN B 793 33.325 123.689 9.473 1.00 22.62 O +ATOM 9625 ND2 ASN B 793 34.352 122.747 7.709 1.00 22.49 N +ATOM 9626 H ASN B 793 29.948 122.850 7.845 1.00 20.56 H +ATOM 9627 HA ASN B 793 31.188 124.390 8.827 1.00 20.65 H +ATOM 9628 HB3 ASN B 793 33.083 125.425 7.221 1.00 20.91 H +ATOM 9629 HB2 ASN B 793 32.676 123.993 6.302 1.00 20.91 H +ATOM 9630 HD22 ASN B 793 34.926 122.162 8.299 1.00 22.49 H +ATOM 9631 HD21 ASN B 793 34.447 122.698 6.705 1.00 22.49 H +ATOM 9632 N LYS B 794 29.400 126.146 7.301 1.00 20.30 N +ATOM 9633 CA LYS B 794 28.834 127.483 7.205 1.00 20.29 C +ATOM 9634 C LYS B 794 27.839 127.592 8.363 1.00 19.72 C +ATOM 9635 O LYS B 794 27.754 126.674 9.179 1.00 19.25 O +ATOM 9636 CB LYS B 794 28.205 127.754 5.833 1.00 20.63 C +ATOM 9637 CG LYS B 794 29.281 127.952 4.744 1.00 21.25 C +ATOM 9638 CD LYS B 794 28.939 129.057 3.745 1.00 20.74 C +ATOM 9639 CE LYS B 794 29.139 130.443 4.345 1.00 20.96 C +ATOM 9640 NZ LYS B 794 28.666 131.524 3.424 1.00 20.90 N1+ +ATOM 9641 H LYS B 794 28.807 125.338 7.176 1.00 20.30 H +ATOM 9642 HA LYS B 794 29.632 128.208 7.367 1.00 20.29 H +ATOM 9643 HB3 LYS B 794 27.579 128.644 5.890 1.00 20.63 H +ATOM 9644 HB2 LYS B 794 27.560 126.919 5.559 1.00 20.63 H +ATOM 9645 HG3 LYS B 794 29.431 127.014 4.209 1.00 21.25 H +ATOM 9646 HG2 LYS B 794 30.238 128.175 5.216 1.00 21.25 H +ATOM 9647 HD3 LYS B 794 27.903 128.947 3.423 1.00 20.74 H +ATOM 9648 HD2 LYS B 794 29.565 128.951 2.859 1.00 20.74 H +ATOM 9649 HE3 LYS B 794 30.195 130.593 4.568 1.00 20.96 H +ATOM 9650 HE2 LYS B 794 28.600 130.510 5.290 1.00 20.96 H +ATOM 9651 HZ1 LYS B 794 27.681 131.400 3.236 1.00 20.90 H +ATOM 9652 HZ2 LYS B 794 28.815 132.425 3.857 1.00 20.90 H +ATOM 9653 HZ3 LYS B 794 29.182 131.478 2.557 1.00 20.90 H +ATOM 9654 N LEU B 795 27.090 128.686 8.437 1.00 19.57 N +ATOM 9655 CA LEU B 795 26.198 128.924 9.573 1.00 19.06 C +ATOM 9656 C LEU B 795 24.750 128.462 9.516 1.00 19.07 C +ATOM 9657 O LEU B 795 24.158 128.345 8.441 1.00 18.88 O +ATOM 9658 CB LEU B 795 26.213 130.420 9.904 1.00 18.86 C +ATOM 9659 CG LEU B 795 27.605 131.059 9.989 1.00 19.17 C +ATOM 9660 CD1 LEU B 795 27.462 132.568 10.227 1.00 18.11 C +ATOM 9661 CD2 LEU B 795 28.408 130.407 11.110 1.00 17.87 C +ATOM 9662 H LEU B 795 27.129 129.375 7.700 1.00 19.57 H +ATOM 9663 HA LEU B 795 26.648 128.417 10.427 1.00 19.06 H +ATOM 9664 HB3 LEU B 795 25.683 130.586 10.842 1.00 18.86 H +ATOM 9665 HB2 LEU B 795 25.614 130.958 9.170 1.00 18.86 H +ATOM 9666 HG LEU B 795 28.124 130.899 9.044 1.00 19.17 H +ATOM 9667 HD11 LEU B 795 28.451 133.022 10.287 1.00 18.11 H +ATOM 9668 HD12 LEU B 795 26.907 133.016 9.403 1.00 18.11 H +ATOM 9669 HD13 LEU B 795 26.927 132.740 11.161 1.00 18.11 H +ATOM 9670 HD21 LEU B 795 29.395 130.865 11.165 1.00 17.87 H +ATOM 9671 HD22 LEU B 795 27.890 130.548 12.059 1.00 17.87 H +ATOM 9672 HD23 LEU B 795 28.514 129.341 10.910 1.00 17.87 H +ATOM 9673 N VAL B 796 24.193 128.225 10.705 1.00 18.99 N +ATOM 9674 CA VAL B 796 22.801 127.812 10.866 1.00 19.23 C +ATOM 9675 C VAL B 796 21.932 128.940 10.305 1.00 19.65 C +ATOM 9676 O VAL B 796 22.341 130.101 10.318 1.00 19.34 O +ATOM 9677 CB VAL B 796 22.440 127.603 12.377 1.00 19.71 C +ATOM 9678 CG1 VAL B 796 22.375 128.949 13.097 1.00 18.38 C +ATOM 9679 CG2 VAL B 796 21.108 126.865 12.512 1.00 18.81 C +ATOM 9680 H VAL B 796 24.739 128.328 11.548 1.00 18.99 H +ATOM 9681 HA VAL B 796 22.620 126.892 10.310 1.00 19.23 H +ATOM 9682 HB VAL B 796 23.220 126.999 12.840 1.00 19.71 H +ATOM 9683 HG11 VAL B 796 22.123 128.789 14.145 1.00 18.38 H +ATOM 9684 HG12 VAL B 796 23.343 129.446 13.028 1.00 18.38 H +ATOM 9685 HG13 VAL B 796 21.612 129.574 12.632 1.00 18.38 H +ATOM 9686 HG21 VAL B 796 20.873 126.729 13.567 1.00 18.81 H +ATOM 9687 HG22 VAL B 796 20.319 127.449 12.037 1.00 18.81 H +ATOM 9688 HG23 VAL B 796 21.181 125.892 12.028 1.00 18.81 H +ATOM 9689 N ASP B 797 20.746 128.601 9.812 1.00 19.61 N +ATOM 9690 CA ASP B 797 19.838 129.601 9.250 1.00 20.32 C +ATOM 9691 C ASP B 797 18.422 129.030 9.223 1.00 20.45 C +ATOM 9692 O ASP B 797 18.190 127.935 8.712 1.00 20.89 O +ATOM 9693 CB ASP B 797 20.284 129.981 7.831 1.00 21.02 C +ATOM 9694 CG ASP B 797 19.359 131.000 7.163 1.00 21.64 C +ATOM 9695 OD1 ASP B 797 18.224 131.208 7.644 1.00 21.18 O +ATOM 9696 OD2 ASP B 797 19.768 131.584 6.135 1.00 21.79 O1- +ATOM 9697 H ASP B 797 20.454 127.634 9.820 1.00 19.61 H +ATOM 9698 HA ASP B 797 19.853 130.491 9.880 1.00 20.32 H +ATOM 9699 HB3 ASP B 797 20.337 129.082 7.216 1.00 21.02 H +ATOM 9700 HB2 ASP B 797 21.298 130.379 7.864 1.00 21.02 H +ATOM 9701 N GLY B 798 17.481 129.781 9.780 1.00 19.92 N +ATOM 9702 CA GLY B 798 16.102 129.334 9.825 1.00 19.94 C +ATOM 9703 C GLY B 798 15.473 128.855 8.526 1.00 19.99 C +ATOM 9704 O GLY B 798 14.673 127.918 8.546 1.00 20.17 O +ATOM 9705 H GLY B 798 17.721 130.677 10.180 1.00 19.92 H +ATOM 9706 HA3 GLY B 798 15.484 130.124 10.252 1.00 19.94 H +ATOM 9707 HA2 GLY B 798 16.004 128.552 10.579 1.00 19.94 H +ATOM 9708 N CYS B 799 15.813 129.471 7.395 1.00 19.30 N +ATOM 9709 CA CYS B 799 15.200 129.052 6.140 1.00 19.18 C +ATOM 9710 C CYS B 799 15.571 127.630 5.735 1.00 19.04 C +ATOM 9711 O CYS B 799 14.823 126.977 5.007 1.00 18.65 O +ATOM 9712 CB CYS B 799 15.535 130.036 5.003 1.00 19.22 C +ATOM 9713 SG CYS B 799 17.263 130.083 4.469 1.00 19.15 S +ATOM 9714 H CYS B 799 16.489 130.221 7.412 1.00 19.30 H +ATOM 9715 HA CYS B 799 14.120 129.077 6.282 1.00 19.18 H +ATOM 9716 HB3 CYS B 799 15.220 131.039 5.291 1.00 19.22 H +ATOM 9717 HB2 CYS B 799 14.899 129.822 4.144 1.00 19.22 H +ATOM 9718 HG CYS B 799 17.929 129.066 5.023 1.00 19.15 H +ATOM 9719 N TYR B 800 16.713 127.139 6.214 1.00 19.30 N +ATOM 9720 CA TYR B 800 17.135 125.783 5.878 1.00 19.54 C +ATOM 9721 C TYR B 800 16.302 124.761 6.644 1.00 20.06 C +ATOM 9722 O TYR B 800 16.461 123.554 6.456 1.00 19.80 O +ATOM 9723 CB TYR B 800 18.636 125.601 6.146 1.00 19.78 C +ATOM 9724 CG TYR B 800 19.486 126.463 5.232 1.00 19.82 C +ATOM 9725 CD1 TYR B 800 20.551 127.210 5.731 1.00 19.41 C +ATOM 9726 CD2 TYR B 800 19.159 126.600 3.879 1.00 20.05 C +ATOM 9727 CE1 TYR B 800 21.263 128.086 4.902 1.00 20.74 C +ATOM 9728 CE2 TYR B 800 19.857 127.465 3.049 1.00 20.26 C +ATOM 9729 CZ TYR B 800 20.904 128.207 3.563 1.00 20.31 C +ATOM 9730 OH TYR B 800 21.570 129.091 2.740 1.00 21.11 O +ATOM 9731 H TYR B 800 17.294 127.707 6.814 1.00 19.30 H +ATOM 9732 HA TYR B 800 16.962 125.629 4.813 1.00 19.54 H +ATOM 9733 HB3 TYR B 800 18.904 124.553 6.009 1.00 19.78 H +ATOM 9734 HB2 TYR B 800 18.852 125.852 7.185 1.00 19.78 H +ATOM 9735 HD1 TYR B 800 20.837 127.117 6.768 1.00 19.41 H +ATOM 9736 HD2 TYR B 800 18.347 126.025 3.459 1.00 20.05 H +ATOM 9737 HE1 TYR B 800 22.084 128.661 5.303 1.00 20.74 H +ATOM 9738 HE2 TYR B 800 19.581 127.555 2.009 1.00 20.26 H +ATOM 9739 HH TYR B 800 22.406 129.337 3.143 1.00 21.11 H +ATOM 9740 N SER B 801 15.412 125.249 7.507 1.00 19.71 N +ATOM 9741 CA SER B 801 14.527 124.361 8.250 1.00 19.89 C +ATOM 9742 C SER B 801 13.670 123.661 7.195 1.00 19.53 C +ATOM 9743 O SER B 801 13.174 122.550 7.407 1.00 19.53 O +ATOM 9744 CB SER B 801 13.636 125.160 9.207 1.00 20.17 C +ATOM 9745 OG SER B 801 14.415 125.846 10.172 1.00 21.31 O +ATOM 9746 H SER B 801 15.344 126.247 7.652 1.00 19.71 H +ATOM 9747 HA SER B 801 15.112 123.628 8.806 1.00 19.89 H +ATOM 9748 HB3 SER B 801 12.947 124.483 9.711 1.00 20.17 H +ATOM 9749 HB2 SER B 801 13.047 125.880 8.638 1.00 20.17 H +ATOM 9750 HG SER B 801 13.837 126.339 10.759 1.00 21.31 H +ATOM 9751 N PHE B 802 13.489 124.325 6.054 1.00 18.79 N +ATOM 9752 CA PHE B 802 12.726 123.726 4.974 1.00 18.63 C +ATOM 9753 C PHE B 802 13.624 123.121 3.892 1.00 18.47 C +ATOM 9754 O PHE B 802 13.496 121.947 3.562 1.00 18.81 O +ATOM 9755 CB PHE B 802 11.791 124.721 4.285 1.00 17.67 C +ATOM 9756 CG PHE B 802 11.093 124.120 3.090 1.00 18.20 C +ATOM 9757 CD1 PHE B 802 10.052 123.206 3.266 1.00 18.05 C +ATOM 9758 CD2 PHE B 802 11.577 124.340 1.801 1.00 17.75 C +ATOM 9759 CE1 PHE B 802 9.511 122.509 2.178 1.00 17.88 C +ATOM 9760 CE2 PHE B 802 11.047 123.652 0.707 1.00 17.58 C +ATOM 9761 CZ PHE B 802 10.011 122.730 0.898 1.00 18.04 C +ATOM 9762 H PHE B 802 13.883 125.248 5.939 1.00 18.79 H +ATOM 9763 HA PHE B 802 12.117 122.925 5.394 1.00 18.63 H +ATOM 9764 HB3 PHE B 802 12.361 125.595 3.970 1.00 17.67 H +ATOM 9765 HB2 PHE B 802 11.047 125.074 4.999 1.00 17.67 H +ATOM 9766 HD1 PHE B 802 9.651 123.028 4.252 1.00 18.05 H +ATOM 9767 HD2 PHE B 802 12.373 125.051 1.638 1.00 17.75 H +ATOM 9768 HE1 PHE B 802 8.709 121.803 2.335 1.00 17.88 H +ATOM 9769 HE2 PHE B 802 11.437 123.831 -0.284 1.00 17.58 H +ATOM 9770 HZ PHE B 802 9.600 122.191 0.057 1.00 18.04 H +ATOM 9771 N TRP B 803 14.520 123.927 3.332 1.00 17.94 N +ATOM 9772 CA TRP B 803 15.383 123.444 2.259 1.00 18.02 C +ATOM 9773 C TRP B 803 16.126 122.158 2.627 1.00 17.83 C +ATOM 9774 O TRP B 803 16.221 121.246 1.803 1.00 17.37 O +ATOM 9775 CB TRP B 803 16.381 124.533 1.833 1.00 17.36 C +ATOM 9776 CG TRP B 803 15.744 125.829 1.356 1.00 17.04 C +ATOM 9777 CD1 TRP B 803 15.928 127.072 1.893 1.00 16.49 C +ATOM 9778 CD2 TRP B 803 14.851 126.003 0.242 1.00 16.77 C +ATOM 9779 NE1 TRP B 803 15.211 128.008 1.185 1.00 16.72 N +ATOM 9780 CE2 TRP B 803 14.543 127.381 0.165 1.00 16.75 C +ATOM 9781 CE3 TRP B 803 14.282 125.128 -0.699 1.00 16.67 C +ATOM 9782 CZ2 TRP B 803 13.691 127.909 -0.818 1.00 16.28 C +ATOM 9783 CZ3 TRP B 803 13.431 125.655 -1.678 1.00 16.80 C +ATOM 9784 CH2 TRP B 803 13.147 127.036 -1.727 1.00 16.41 C +ATOM 9785 H TRP B 803 14.607 124.882 3.648 1.00 17.94 H +ATOM 9786 HA TRP B 803 14.749 123.224 1.400 1.00 18.02 H +ATOM 9787 HB3 TRP B 803 17.031 124.140 1.051 1.00 17.36 H +ATOM 9788 HB2 TRP B 803 17.057 124.746 2.661 1.00 17.36 H +ATOM 9789 HD1 TRP B 803 16.567 127.199 2.754 1.00 16.49 H +ATOM 9790 HE1 TRP B 803 15.242 128.980 1.458 1.00 16.72 H +ATOM 9791 HE3 TRP B 803 14.504 124.072 -0.658 1.00 16.67 H +ATOM 9792 HZ2 TRP B 803 13.484 128.969 -0.841 1.00 16.28 H +ATOM 9793 HZ3 TRP B 803 12.980 125.002 -2.410 1.00 16.80 H +ATOM 9794 HH2 TRP B 803 12.487 127.403 -2.500 1.00 16.41 H +ATOM 9795 N GLN B 804 16.643 122.072 3.855 1.00 17.42 N +ATOM 9796 CA GLN B 804 17.369 120.872 4.283 1.00 17.05 C +ATOM 9797 C GLN B 804 16.450 119.823 4.912 1.00 17.39 C +ATOM 9798 O GLN B 804 16.356 118.705 4.411 1.00 17.32 O +ATOM 9799 CB GLN B 804 18.492 121.228 5.283 1.00 16.73 C +ATOM 9800 CG GLN B 804 19.628 122.103 4.715 1.00 15.75 C +ATOM 9801 CD GLN B 804 20.648 121.318 3.892 1.00 16.22 C +ATOM 9802 OE1 GLN B 804 20.313 120.331 3.234 1.00 15.74 O +ATOM 9803 NE2 GLN B 804 21.900 121.769 3.917 1.00 15.63 N +ATOM 9804 H GLN B 804 16.536 122.839 4.502 1.00 17.42 H +ATOM 9805 HA GLN B 804 17.832 120.428 3.402 1.00 17.05 H +ATOM 9806 HB3 GLN B 804 18.914 120.310 5.692 1.00 16.73 H +ATOM 9807 HB2 GLN B 804 18.057 121.722 6.152 1.00 16.73 H +ATOM 9808 HG3 GLN B 804 20.137 122.611 5.534 1.00 15.75 H +ATOM 9809 HG2 GLN B 804 19.202 122.896 4.100 1.00 15.75 H +ATOM 9810 HE22 GLN B 804 22.619 121.291 3.393 1.00 15.63 H +ATOM 9811 HE21 GLN B 804 22.131 122.589 4.460 1.00 15.63 H +ATOM 9812 N ALA B 805 15.767 120.177 6.001 1.00 17.38 N +ATOM 9813 CA ALA B 805 14.891 119.217 6.673 1.00 17.97 C +ATOM 9814 C ALA B 805 13.833 118.657 5.729 1.00 18.04 C +ATOM 9815 O ALA B 805 13.375 117.529 5.904 1.00 17.86 O +ATOM 9816 CB ALA B 805 14.231 119.851 7.889 1.00 16.97 C +ATOM 9817 H ALA B 805 15.852 121.114 6.367 1.00 17.38 H +ATOM 9818 HA ALA B 805 15.506 118.386 7.019 1.00 17.97 H +ATOM 9819 HB1 ALA B 805 13.584 119.120 8.374 1.00 16.97 H +ATOM 9820 HB2 ALA B 805 14.999 120.178 8.590 1.00 16.97 H +ATOM 9821 HB3 ALA B 805 13.637 120.709 7.575 1.00 16.97 H +ATOM 9822 N GLY B 806 13.458 119.445 4.725 1.00 18.59 N +ATOM 9823 CA GLY B 806 12.465 119.002 3.763 1.00 18.75 C +ATOM 9824 C GLY B 806 12.938 117.824 2.924 1.00 18.79 C +ATOM 9825 O GLY B 806 12.130 117.132 2.313 1.00 19.61 O +ATOM 9826 H GLY B 806 13.865 120.364 4.626 1.00 18.59 H +ATOM 9827 HA3 GLY B 806 12.202 119.831 3.106 1.00 18.75 H +ATOM 9828 HA2 GLY B 806 11.549 118.728 4.287 1.00 18.75 H +ATOM 9829 N LEU B 807 14.246 117.593 2.887 1.00 18.30 N +ATOM 9830 CA LEU B 807 14.805 116.480 2.120 1.00 18.67 C +ATOM 9831 C LEU B 807 14.520 115.129 2.783 1.00 18.71 C +ATOM 9832 O LEU B 807 14.492 114.093 2.115 1.00 18.72 O +ATOM 9833 CB LEU B 807 16.320 116.664 1.950 1.00 17.86 C +ATOM 9834 CG LEU B 807 16.759 117.776 0.985 1.00 18.40 C +ATOM 9835 CD1 LEU B 807 18.230 118.146 1.199 1.00 17.80 C +ATOM 9836 CD2 LEU B 807 16.523 117.297 -0.448 1.00 18.08 C +ATOM 9837 H LEU B 807 14.879 118.192 3.396 1.00 18.30 H +ATOM 9838 HA LEU B 807 14.346 116.481 1.131 1.00 18.67 H +ATOM 9839 HB3 LEU B 807 16.764 115.719 1.636 1.00 17.86 H +ATOM 9840 HB2 LEU B 807 16.773 116.835 2.926 1.00 17.86 H +ATOM 9841 HG LEU B 807 16.146 118.659 1.165 1.00 18.40 H +ATOM 9842 HD11 LEU B 807 18.512 118.935 0.502 1.00 17.80 H +ATOM 9843 HD12 LEU B 807 18.372 118.497 2.221 1.00 17.80 H +ATOM 9844 HD13 LEU B 807 18.855 117.270 1.026 1.00 17.80 H +ATOM 9845 HD21 LEU B 807 16.830 118.076 -1.146 1.00 18.08 H +ATOM 9846 HD22 LEU B 807 17.106 116.395 -0.631 1.00 18.08 H +ATOM 9847 HD23 LEU B 807 15.464 117.080 -0.589 1.00 18.08 H +ATOM 9848 N LEU B 808 14.295 115.128 4.092 1.00 18.68 N +ATOM 9849 CA LEU B 808 14.038 113.870 4.774 1.00 19.08 C +ATOM 9850 C LEU B 808 12.700 113.223 4.412 1.00 19.19 C +ATOM 9851 O LEU B 808 12.635 112.009 4.231 1.00 18.82 O +ATOM 9852 CB LEU B 808 14.249 114.060 6.278 1.00 19.86 C +ATOM 9853 CG LEU B 808 15.789 114.201 6.289 1.00 21.70 C +ATOM 9854 CD1 LEU B 808 16.251 115.297 7.196 1.00 21.00 C +ATOM 9855 CD2 LEU B 808 16.429 112.860 6.602 1.00 20.10 C +ATOM 9856 H LEU B 808 14.303 115.997 4.606 1.00 18.68 H +ATOM 9857 HA LEU B 808 14.812 113.178 4.442 1.00 19.08 H +ATOM 9858 HB3 LEU B 808 13.974 113.140 6.793 1.00 19.86 H +ATOM 9859 HB2 LEU B 808 13.805 115.008 6.580 1.00 19.86 H +ATOM 9860 HG LEU B 808 16.093 114.473 5.278 1.00 21.70 H +ATOM 9861 HD11 LEU B 808 17.339 115.357 7.170 1.00 21.00 H +ATOM 9862 HD12 LEU B 808 15.827 116.246 6.867 1.00 21.00 H +ATOM 9863 HD13 LEU B 808 15.924 115.088 8.215 1.00 21.00 H +ATOM 9864 HD21 LEU B 808 17.514 112.968 6.608 1.00 20.10 H +ATOM 9865 HD22 LEU B 808 16.093 112.517 7.580 1.00 20.10 H +ATOM 9866 HD23 LEU B 808 16.140 112.133 5.843 1.00 20.10 H +ATOM 9867 N PRO B 809 11.617 114.014 4.292 1.00 18.97 N +ATOM 9868 CA PRO B 809 10.365 113.348 3.919 1.00 19.02 C +ATOM 9869 C PRO B 809 10.510 112.818 2.488 1.00 19.53 C +ATOM 9870 O PRO B 809 9.956 111.773 2.141 1.00 19.34 O +ATOM 9871 CB PRO B 809 9.332 114.464 4.008 1.00 19.11 C +ATOM 9872 CG PRO B 809 9.887 115.351 5.081 1.00 19.60 C +ATOM 9873 CD PRO B 809 11.363 115.391 4.753 1.00 18.86 C +ATOM 9874 HA PRO B 809 10.130 112.541 4.613 1.00 19.02 H +ATOM 9875 HB3 PRO B 809 8.381 114.048 4.342 1.00 19.11 H +ATOM 9876 HB2 PRO B 809 9.311 115.010 3.065 1.00 19.11 H +ATOM 9877 HG3 PRO B 809 9.747 114.873 6.051 1.00 19.60 H +ATOM 9878 HG2 PRO B 809 9.468 116.351 4.973 1.00 19.60 H +ATOM 9879 HD2 PRO B 809 11.528 116.082 3.927 1.00 18.86 H +ATOM 9880 HD3 PRO B 809 11.929 115.573 5.667 1.00 18.86 H +ATOM 9881 N LEU B 810 11.257 113.548 1.658 1.00 19.61 N +ATOM 9882 CA LEU B 810 11.470 113.132 0.272 1.00 20.25 C +ATOM 9883 C LEU B 810 12.297 111.842 0.231 1.00 20.48 C +ATOM 9884 O LEU B 810 11.988 110.918 -0.522 1.00 20.72 O +ATOM 9885 CB LEU B 810 12.166 114.240 -0.534 1.00 19.05 C +ATOM 9886 CG LEU B 810 11.405 115.563 -0.745 1.00 19.49 C +ATOM 9887 CD1 LEU B 810 12.218 116.486 -1.641 1.00 18.56 C +ATOM 9888 CD2 LEU B 810 10.040 115.299 -1.375 1.00 18.48 C +ATOM 9889 H LEU B 810 11.686 114.402 1.984 1.00 19.61 H +ATOM 9890 HA LEU B 810 10.499 112.934 -0.182 1.00 20.25 H +ATOM 9891 HB3 LEU B 810 12.466 113.842 -1.504 1.00 19.05 H +ATOM 9892 HB2 LEU B 810 13.136 114.454 -0.085 1.00 19.05 H +ATOM 9893 HG LEU B 810 11.261 116.046 0.222 1.00 19.49 H +ATOM 9894 HD11 LEU B 810 11.677 117.421 -1.787 1.00 18.56 H +ATOM 9895 HD12 LEU B 810 13.180 116.694 -1.172 1.00 18.56 H +ATOM 9896 HD13 LEU B 810 12.381 116.006 -2.606 1.00 18.56 H +ATOM 9897 HD21 LEU B 810 9.516 116.245 -1.516 1.00 18.48 H +ATOM 9898 HD22 LEU B 810 10.173 114.810 -2.339 1.00 18.48 H +ATOM 9899 HD23 LEU B 810 9.455 114.655 -0.718 1.00 18.48 H +ATOM 9900 N LEU B 811 13.348 111.780 1.039 1.00 20.60 N +ATOM 9901 CA LEU B 811 14.185 110.582 1.099 1.00 21.41 C +ATOM 9902 C LEU B 811 13.375 109.414 1.662 1.00 22.21 C +ATOM 9903 O LEU B 811 13.488 108.284 1.189 1.00 22.08 O +ATOM 9904 CB LEU B 811 15.419 110.836 1.970 1.00 19.47 C +ATOM 9905 CG LEU B 811 16.464 111.761 1.333 1.00 20.19 C +ATOM 9906 CD1 LEU B 811 17.508 112.170 2.360 1.00 19.04 C +ATOM 9907 CD2 LEU B 811 17.113 111.048 0.151 1.00 19.41 C +ATOM 9908 H LEU B 811 13.581 112.568 1.626 1.00 20.60 H +ATOM 9909 HA LEU B 811 14.512 110.330 0.090 1.00 21.41 H +ATOM 9910 HB3 LEU B 811 15.886 109.883 2.222 1.00 19.47 H +ATOM 9911 HB2 LEU B 811 15.106 111.250 2.928 1.00 19.47 H +ATOM 9912 HG LEU B 811 15.962 112.657 0.968 1.00 20.19 H +ATOM 9913 HD11 LEU B 811 18.241 112.826 1.891 1.00 19.04 H +ATOM 9914 HD12 LEU B 811 17.023 112.697 3.182 1.00 19.04 H +ATOM 9915 HD13 LEU B 811 18.009 111.281 2.743 1.00 19.04 H +ATOM 9916 HD21 LEU B 811 17.856 111.702 -0.305 1.00 19.41 H +ATOM 9917 HD22 LEU B 811 17.597 110.135 0.498 1.00 19.41 H +ATOM 9918 HD23 LEU B 811 16.350 110.797 -0.586 1.00 19.41 H +ATOM 9919 N HIS B 812 12.558 109.693 2.675 1.00 23.58 N +ATOM 9920 CA HIS B 812 11.725 108.659 3.284 1.00 25.72 C +ATOM 9921 C HIS B 812 10.847 108.005 2.217 1.00 26.76 C +ATOM 9922 O HIS B 812 10.778 106.783 2.114 1.00 26.00 O +ATOM 9923 CB HIS B 812 10.820 109.256 4.361 1.00 26.05 C +ATOM 9924 CG HIS B 812 10.122 108.225 5.189 1.00 27.44 C +ATOM 9925 ND1 HIS B 812 10.668 107.706 6.342 1.00 27.29 N +ATOM 9926 CD2 HIS B 812 8.951 107.571 4.999 1.00 27.93 C +ATOM 9927 CE1 HIS B 812 9.866 106.775 6.826 1.00 27.61 C +ATOM 9928 NE2 HIS B 812 8.818 106.672 6.029 1.00 27.56 N +ATOM 9929 H HIS B 812 12.506 110.634 3.037 1.00 23.58 H +ATOM 9930 HA HIS B 812 12.366 107.901 3.735 1.00 25.72 H +ATOM 9931 HB3 HIS B 812 10.080 109.905 3.892 1.00 26.05 H +ATOM 9932 HB2 HIS B 812 11.409 109.904 5.010 1.00 26.05 H +ATOM 9933 HD2 HIS B 812 8.329 107.811 4.149 1.00 27.93 H +ATOM 9934 HE1 HIS B 812 10.132 106.251 7.733 1.00 27.61 H +ATOM 9935 HE2 HIS B 812 8.006 106.073 6.075 1.00 27.56 H +ATOM 9936 N ARG B 813 10.170 108.842 1.437 1.00 28.03 N +ATOM 9937 CA ARG B 813 9.297 108.393 0.360 1.00 29.97 C +ATOM 9938 C ARG B 813 10.078 107.597 -0.684 1.00 29.46 C +ATOM 9939 O ARG B 813 9.625 106.551 -1.148 1.00 29.75 O +ATOM 9940 CB ARG B 813 8.638 109.610 -0.299 1.00 32.85 C +ATOM 9941 CG ARG B 813 7.955 109.332 -1.627 1.00 37.77 C +ATOM 9942 CD ARG B 813 6.600 108.662 -1.462 1.00 41.84 C +ATOM 9943 NE ARG B 813 5.676 109.476 -0.670 1.00 45.53 N +ATOM 9944 CZ ARG B 813 4.352 109.329 -0.675 1.00 46.78 C +ATOM 9945 NH1 ARG B 813 3.785 108.400 -1.438 1.00 47.36 N +ATOM 9946 NH2 ARG B 813 3.594 110.105 0.095 1.00 47.47 N1+ +ATOM 9947 H ARG B 813 10.249 109.839 1.578 1.00 28.03 H +ATOM 9948 HA ARG B 813 8.519 107.755 0.780 1.00 29.97 H +ATOM 9949 HB3 ARG B 813 9.383 110.394 -0.433 1.00 32.85 H +ATOM 9950 HB2 ARG B 813 7.918 110.048 0.392 1.00 32.85 H +ATOM 9951 HG3 ARG B 813 8.599 108.702 -2.240 1.00 37.77 H +ATOM 9952 HG2 ARG B 813 7.833 110.267 -2.173 1.00 37.77 H +ATOM 9953 HD3 ARG B 813 6.731 107.692 -0.983 1.00 41.84 H +ATOM 9954 HD2 ARG B 813 6.167 108.475 -2.444 1.00 41.84 H +ATOM 9955 HE ARG B 813 6.103 110.187 -0.093 1.00 45.53 H +ATOM 9956 HH12 ARG B 813 2.781 108.292 -1.439 1.00 47.36 H +ATOM 9957 HH11 ARG B 813 4.358 107.803 -2.016 1.00 47.36 H +ATOM 9958 HH22 ARG B 813 2.590 109.993 0.091 1.00 47.47 H +ATOM 9959 HH21 ARG B 813 4.022 110.806 0.683 1.00 47.47 H +ATOM 9960 N ALA B 814 11.256 108.091 -1.044 1.00 28.84 N +ATOM 9961 CA ALA B 814 12.092 107.434 -2.036 1.00 29.03 C +ATOM 9962 C ALA B 814 12.531 106.046 -1.580 1.00 29.79 C +ATOM 9963 O ALA B 814 12.478 105.081 -2.350 1.00 29.59 O +ATOM 9964 CB ALA B 814 13.314 108.297 -2.338 1.00 28.70 C +ATOM 9965 H ALA B 814 11.594 108.946 -0.627 1.00 28.84 H +ATOM 9966 HA ALA B 814 11.514 107.326 -2.954 1.00 29.03 H +ATOM 9967 HB1 ALA B 814 13.936 107.799 -3.081 1.00 28.70 H +ATOM 9968 HB2 ALA B 814 12.991 109.263 -2.724 1.00 28.70 H +ATOM 9969 HB3 ALA B 814 13.889 108.445 -1.424 1.00 28.70 H +ATOM 9970 N LEU B 815 12.977 105.951 -0.331 1.00 29.86 N +ATOM 9971 CA LEU B 815 13.423 104.676 0.215 1.00 30.42 C +ATOM 9972 C LEU B 815 12.246 103.728 0.411 1.00 31.31 C +ATOM 9973 O LEU B 815 12.362 102.526 0.177 1.00 31.24 O +ATOM 9974 CB LEU B 815 14.152 104.892 1.545 1.00 29.30 C +ATOM 9975 CG LEU B 815 15.463 105.679 1.444 1.00 29.36 C +ATOM 9976 CD1 LEU B 815 16.043 105.875 2.831 1.00 28.67 C +ATOM 9977 CD2 LEU B 815 16.457 104.941 0.548 1.00 28.10 C +ATOM 9978 H LEU B 815 13.011 106.771 0.257 1.00 29.86 H +ATOM 9979 HA LEU B 815 14.119 104.222 -0.491 1.00 30.42 H +ATOM 9980 HB3 LEU B 815 14.346 103.926 2.011 1.00 29.30 H +ATOM 9981 HB2 LEU B 815 13.484 105.393 2.245 1.00 29.30 H +ATOM 9982 HG LEU B 815 15.255 106.657 1.009 1.00 29.36 H +ATOM 9983 HD11 LEU B 815 16.976 106.434 2.760 1.00 28.67 H +ATOM 9984 HD12 LEU B 815 15.334 106.428 3.447 1.00 28.67 H +ATOM 9985 HD13 LEU B 815 16.237 104.903 3.284 1.00 28.67 H +ATOM 9986 HD21 LEU B 815 17.384 105.512 0.485 1.00 28.10 H +ATOM 9987 HD22 LEU B 815 16.664 103.957 0.968 1.00 28.10 H +ATOM 9988 HD23 LEU B 815 16.033 104.828 -0.450 1.00 28.10 H +ATOM 9989 N HIS B 816 11.112 104.277 0.830 1.00 32.74 N +ATOM 9990 CA HIS B 816 9.915 103.478 1.052 1.00 34.76 C +ATOM 9991 C HIS B 816 9.488 102.799 -0.249 1.00 35.97 C +ATOM 9992 O HIS B 816 9.113 101.622 -0.255 1.00 36.02 O +ATOM 9993 CB HIS B 816 8.780 104.364 1.567 1.00 35.89 C +ATOM 9994 CG HIS B 816 7.520 103.618 1.877 1.00 37.65 C +ATOM 9995 ND1 HIS B 816 6.289 103.674 1.316 1.00 38.25 N +ATOM 9996 CD2 HIS B 816 7.441 102.675 2.880 1.00 38.08 C +ATOM 9997 CE1 HIS B 816 5.496 102.773 1.985 1.00 38.23 C +ATOM 9998 NE2 HIS B 816 6.215 102.184 2.924 1.00 38.03 N +ATOM 9999 H HIS B 816 11.065 105.271 1.004 1.00 32.74 H +ATOM 10000 HA HIS B 816 10.133 102.712 1.797 1.00 34.76 H +ATOM 10001 HB3 HIS B 816 8.568 105.143 0.834 1.00 35.89 H +ATOM 10002 HB2 HIS B 816 9.113 104.897 2.458 1.00 35.89 H +ATOM 10003 HD2 HIS B 816 8.255 102.464 3.440 1.00 38.08 H +ATOM 10004 HE1 HIS B 816 4.528 102.657 1.720 1.00 38.23 H +ATOM 10005 HE2 HIS B 816 5.962 101.428 3.652 1.00 38.03 H +ATOM 10006 N ALA B 817 9.550 103.548 -1.347 1.00 36.56 N +ATOM 10007 CA ALA B 817 9.172 103.026 -2.656 1.00 37.45 C +ATOM 10008 C ALA B 817 10.051 101.841 -3.036 1.00 38.10 C +ATOM 10009 O ALA B 817 9.635 100.972 -3.799 1.00 38.79 O +ATOM 10010 CB ALA B 817 9.287 104.120 -3.707 1.00 36.73 C +ATOM 10011 H ALA B 817 9.865 104.505 -1.288 1.00 36.56 H +ATOM 10012 HA ALA B 817 8.135 102.692 -2.613 1.00 37.45 H +ATOM 10013 HB1 ALA B 817 9.003 103.721 -4.681 1.00 36.73 H +ATOM 10014 HB2 ALA B 817 8.625 104.946 -3.447 1.00 36.73 H +ATOM 10015 HB3 ALA B 817 10.316 104.478 -3.749 1.00 36.73 H +ATOM 10016 N GLN B 818 11.267 101.813 -2.499 1.00 38.53 N +ATOM 10017 CA GLN B 818 12.217 100.738 -2.774 1.00 38.48 C +ATOM 10018 C GLN B 818 12.066 99.560 -1.818 1.00 37.93 C +ATOM 10019 O GLN B 818 12.818 98.591 -1.903 1.00 37.74 O +ATOM 10020 CB GLN B 818 13.644 101.261 -2.672 1.00 39.35 C +ATOM 10021 CG GLN B 818 14.113 102.045 -3.866 1.00 41.15 C +ATOM 10022 CD GLN B 818 15.392 102.800 -3.578 1.00 41.65 C +ATOM 10023 OE1 GLN B 818 16.261 102.317 -2.854 1.00 42.63 O +ATOM 10024 NE2 GLN B 818 15.517 103.989 -4.153 1.00 42.50 N +ATOM 10025 H GLN B 818 11.561 102.553 -1.877 1.00 38.53 H +ATOM 10026 HA GLN B 818 12.051 100.382 -3.791 1.00 38.48 H +ATOM 10027 HB3 GLN B 818 14.323 100.426 -2.499 1.00 39.35 H +ATOM 10028 HB2 GLN B 818 13.740 101.876 -1.776 1.00 39.35 H +ATOM 10029 HG3 GLN B 818 13.336 102.748 -4.166 1.00 41.15 H +ATOM 10030 HG2 GLN B 818 14.273 101.367 -4.705 1.00 41.15 H +ATOM 10031 HE22 GLN B 818 16.349 104.540 -3.998 1.00 42.50 H +ATOM 10032 HE21 GLN B 818 14.780 104.343 -4.746 1.00 42.50 H +ATOM 10033 N GLY B 819 11.110 99.654 -0.900 1.00 37.30 N +ATOM 10034 CA GLY B 819 10.899 98.581 0.052 1.00 36.90 C +ATOM 10035 C GLY B 819 11.937 98.497 1.163 1.00 36.72 C +ATOM 10036 O GLY B 819 12.236 97.403 1.650 1.00 37.53 O +ATOM 10037 H GLY B 819 10.525 100.476 -0.862 1.00 37.30 H +ATOM 10038 HA3 GLY B 819 10.861 97.630 -0.479 1.00 36.90 H +ATOM 10039 HA2 GLY B 819 9.907 98.679 0.492 1.00 36.90 H +ATOM 10040 N ASP B 820 12.491 99.639 1.570 1.00 34.95 N +ATOM 10041 CA ASP B 820 13.484 99.665 2.641 1.00 32.68 C +ATOM 10042 C ASP B 820 12.817 99.196 3.933 1.00 31.73 C +ATOM 10043 O ASP B 820 11.936 99.869 4.469 1.00 31.78 O +ATOM 10044 CB ASP B 820 14.017 101.082 2.838 1.00 32.39 C +ATOM 10045 CG ASP B 820 15.231 101.125 3.747 1.00 32.12 C +ATOM 10046 OD1 ASP B 820 15.251 100.391 4.759 1.00 30.78 O +ATOM 10047 OD2 ASP B 820 16.160 101.902 3.447 1.00 31.27 O1- +ATOM 10048 H ASP B 820 12.226 100.512 1.136 1.00 34.95 H +ATOM 10049 HA ASP B 820 14.308 98.997 2.392 1.00 32.68 H +ATOM 10050 HB3 ASP B 820 13.230 101.710 3.254 1.00 32.39 H +ATOM 10051 HB2 ASP B 820 14.274 101.510 1.869 1.00 32.39 H +ATOM 10052 N PRO B 821 13.244 98.041 4.462 1.00 30.55 N +ATOM 10053 CA PRO B 821 12.679 97.481 5.689 1.00 29.55 C +ATOM 10054 C PRO B 821 13.113 98.123 7.012 1.00 28.54 C +ATOM 10055 O PRO B 821 12.576 97.781 8.058 1.00 28.47 O +ATOM 10056 CB PRO B 821 13.093 96.015 5.604 1.00 29.59 C +ATOM 10057 CG PRO B 821 14.453 96.116 5.032 1.00 30.17 C +ATOM 10058 CD PRO B 821 14.280 97.146 3.913 1.00 30.58 C +ATOM 10059 HA PRO B 821 11.592 97.534 5.622 1.00 29.55 H +ATOM 10060 HB3 PRO B 821 12.444 95.500 4.896 1.00 29.59 H +ATOM 10061 HB2 PRO B 821 13.157 95.602 6.610 1.00 29.59 H +ATOM 10062 HG3 PRO B 821 14.732 95.156 4.597 1.00 30.17 H +ATOM 10063 HG2 PRO B 821 15.132 96.515 5.786 1.00 30.17 H +ATOM 10064 HD2 PRO B 821 15.209 97.703 3.791 1.00 30.58 H +ATOM 10065 HD3 PRO B 821 13.891 96.649 3.024 1.00 30.58 H +ATOM 10066 N ALA B 822 14.069 99.049 6.975 1.00 27.20 N +ATOM 10067 CA ALA B 822 14.542 99.675 8.208 1.00 26.33 C +ATOM 10068 C ALA B 822 13.955 101.056 8.483 1.00 26.05 C +ATOM 10069 O ALA B 822 14.175 101.624 9.552 1.00 24.73 O +ATOM 10070 CB ALA B 822 16.059 99.759 8.192 1.00 25.78 C +ATOM 10071 H ALA B 822 14.473 99.323 6.090 1.00 27.20 H +ATOM 10072 HA ALA B 822 14.257 99.026 9.036 1.00 26.33 H +ATOM 10073 HB1 ALA B 822 16.407 100.226 9.113 1.00 25.78 H +ATOM 10074 HB2 ALA B 822 16.478 98.756 8.113 1.00 25.78 H +ATOM 10075 HB3 ALA B 822 16.381 100.355 7.338 1.00 25.78 H +ATOM 10076 N LEU B 823 13.215 101.597 7.523 1.00 26.11 N +ATOM 10077 CA LEU B 823 12.621 102.921 7.690 1.00 26.60 C +ATOM 10078 C LEU B 823 11.759 103.028 8.936 1.00 26.28 C +ATOM 10079 O LEU B 823 11.112 102.067 9.343 1.00 26.86 O +ATOM 10080 CB LEU B 823 11.769 103.291 6.473 1.00 26.79 C +ATOM 10081 CG LEU B 823 12.489 103.755 5.210 1.00 27.74 C +ATOM 10082 CD1 LEU B 823 11.451 104.120 4.150 1.00 27.52 C +ATOM 10083 CD2 LEU B 823 13.372 104.962 5.530 1.00 27.38 C +ATOM 10084 H LEU B 823 13.056 101.093 6.663 1.00 26.11 H +ATOM 10085 HA LEU B 823 13.429 103.647 7.773 1.00 26.60 H +ATOM 10086 HB3 LEU B 823 11.039 104.046 6.766 1.00 26.79 H +ATOM 10087 HB2 LEU B 823 11.117 102.454 6.226 1.00 26.79 H +ATOM 10088 HG LEU B 823 13.113 102.944 4.836 1.00 27.74 H +ATOM 10089 HD11 LEU B 823 11.958 104.452 3.244 1.00 27.52 H +ATOM 10090 HD12 LEU B 823 10.839 103.247 3.924 1.00 27.52 H +ATOM 10091 HD13 LEU B 823 10.815 104.922 4.524 1.00 27.52 H +ATOM 10092 HD21 LEU B 823 13.883 105.289 4.624 1.00 27.38 H +ATOM 10093 HD22 LEU B 823 12.753 105.775 5.910 1.00 27.38 H +ATOM 10094 HD23 LEU B 823 14.109 104.685 6.283 1.00 27.38 H +ATOM 10095 N SER B 824 11.764 104.207 9.542 1.00 26.22 N +ATOM 10096 CA SER B 824 10.954 104.464 10.720 1.00 26.54 C +ATOM 10097 C SER B 824 9.504 104.573 10.273 1.00 27.62 C +ATOM 10098 O SER B 824 9.227 104.910 9.120 1.00 27.49 O +ATOM 10099 CB SER B 824 11.370 105.776 11.375 1.00 25.27 C +ATOM 10100 OG SER B 824 10.411 106.185 12.329 1.00 23.86 O +ATOM 10101 H SER B 824 12.341 104.956 9.185 1.00 26.22 H +ATOM 10102 HA SER B 824 11.062 103.644 11.431 1.00 26.54 H +ATOM 10103 HB3 SER B 824 11.473 106.546 10.611 1.00 25.27 H +ATOM 10104 HB2 SER B 824 12.336 105.648 11.864 1.00 25.27 H +ATOM 10105 HG SER B 824 10.328 105.513 13.008 1.00 23.86 H +ATOM 10106 N MET B 825 8.581 104.289 11.183 1.00 28.50 N +ATOM 10107 CA MET B 825 7.162 104.387 10.872 1.00 29.80 C +ATOM 10108 C MET B 825 6.545 105.508 11.703 1.00 28.52 C +ATOM 10109 O MET B 825 5.325 105.647 11.761 1.00 28.14 O +ATOM 10110 CB MET B 825 6.449 103.063 11.178 1.00 33.23 C +ATOM 10111 CG MET B 825 6.952 101.873 10.359 1.00 37.97 C +ATOM 10112 SD MET B 825 6.028 100.329 10.668 1.00 44.34 S +ATOM 10113 CE MET B 825 6.920 99.681 12.109 1.00 42.57 C +ATOM 10114 H MET B 825 8.858 103.999 12.110 1.00 28.50 H +ATOM 10115 HA MET B 825 7.044 104.620 9.814 1.00 29.80 H +ATOM 10116 HB3 MET B 825 5.378 103.185 11.018 1.00 33.23 H +ATOM 10117 HB2 MET B 825 6.546 102.837 12.240 1.00 33.23 H +ATOM 10118 HG3 MET B 825 8.009 101.711 10.569 1.00 37.97 H +ATOM 10119 HG2 MET B 825 6.903 102.118 9.298 1.00 37.97 H +ATOM 10120 HE1 MET B 825 6.473 98.736 12.419 1.00 42.57 H +ATOM 10121 HE2 MET B 825 7.966 99.519 11.847 1.00 42.57 H +ATOM 10122 HE3 MET B 825 6.858 100.398 12.928 1.00 42.57 H +ATOM 10123 N SER B 826 7.394 106.316 12.331 1.00 27.09 N +ATOM 10124 CA SER B 826 6.904 107.395 13.172 1.00 26.05 C +ATOM 10125 C SER B 826 7.722 108.689 13.162 1.00 24.99 C +ATOM 10126 O SER B 826 7.231 109.721 13.618 1.00 24.58 O +ATOM 10127 CB SER B 826 6.792 106.895 14.614 1.00 26.46 C +ATOM 10128 OG SER B 826 8.071 106.533 15.110 1.00 26.70 O +ATOM 10129 H SER B 826 8.390 106.183 12.226 1.00 27.09 H +ATOM 10130 HA SER B 826 5.898 107.642 12.833 1.00 26.05 H +ATOM 10131 HB3 SER B 826 6.131 106.030 14.648 1.00 26.46 H +ATOM 10132 HB2 SER B 826 6.370 107.682 15.239 1.00 26.46 H +ATOM 10133 HG SER B 826 8.138 106.781 16.035 1.00 26.70 H +ATOM 10134 N HIS B 827 8.956 108.644 12.660 1.00 24.07 N +ATOM 10135 CA HIS B 827 9.802 109.842 12.640 1.00 23.49 C +ATOM 10136 C HIS B 827 10.626 110.030 11.374 1.00 22.49 C +ATOM 10137 O HIS B 827 10.984 109.065 10.702 1.00 22.09 O +ATOM 10138 CB HIS B 827 10.790 109.841 13.813 1.00 24.58 C +ATOM 10139 CG HIS B 827 10.151 109.958 15.161 1.00 26.76 C +ATOM 10140 ND1 HIS B 827 9.877 111.041 15.927 1.00 27.73 N +ATOM 10141 CD2 HIS B 827 9.733 108.862 15.885 1.00 27.02 C +ATOM 10142 CE1 HIS B 827 9.309 110.581 17.090 1.00 27.42 C +ATOM 10143 NE2 HIS B 827 9.233 109.264 17.041 1.00 27.84 N +ATOM 10144 H HIS B 827 9.318 107.777 12.288 1.00 24.07 H +ATOM 10145 HA HIS B 827 9.154 110.711 12.750 1.00 23.49 H +ATOM 10146 HB3 HIS B 827 11.507 110.651 13.682 1.00 24.58 H +ATOM 10147 HB2 HIS B 827 11.393 108.933 13.777 1.00 24.58 H +ATOM 10148 HD1 HIS B 827 10.114 112.031 15.567 1.00 27.73 H +ATOM 10149 HD2 HIS B 827 9.837 107.933 15.501 1.00 27.02 H +ATOM 10150 HE1 HIS B 827 9.029 111.234 17.808 1.00 27.42 H +ATOM 10151 N TRP B 828 10.914 111.292 11.060 1.00 21.55 N +ATOM 10152 CA TRP B 828 11.756 111.638 9.917 1.00 20.97 C +ATOM 10153 C TRP B 828 13.166 111.383 10.446 1.00 20.71 C +ATOM 10154 O TRP B 828 13.371 111.320 11.661 1.00 20.11 O +ATOM 10155 CB TRP B 828 11.622 113.126 9.554 1.00 20.15 C +ATOM 10156 CG TRP B 828 10.254 113.564 9.116 1.00 19.28 C +ATOM 10157 CD1 TRP B 828 9.547 114.628 9.598 1.00 19.64 C +ATOM 10158 CD2 TRP B 828 9.440 112.972 8.091 1.00 20.21 C +ATOM 10159 NE1 TRP B 828 8.343 114.738 8.940 1.00 19.95 N +ATOM 10160 CE2 TRP B 828 8.250 113.733 8.011 1.00 20.40 C +ATOM 10161 CE3 TRP B 828 9.600 111.871 7.233 1.00 20.44 C +ATOM 10162 CZ2 TRP B 828 7.218 113.427 7.106 1.00 20.60 C +ATOM 10163 CZ3 TRP B 828 8.574 111.567 6.333 1.00 20.38 C +ATOM 10164 CH2 TRP B 828 7.398 112.344 6.280 1.00 20.55 C +ATOM 10165 H TRP B 828 10.547 112.048 11.621 1.00 21.55 H +ATOM 10166 HA TRP B 828 11.536 111.002 9.060 1.00 20.97 H +ATOM 10167 HB3 TRP B 828 12.345 113.374 8.776 1.00 20.15 H +ATOM 10168 HB2 TRP B 828 11.941 113.734 10.401 1.00 20.15 H +ATOM 10169 HD1 TRP B 828 9.961 115.239 10.387 1.00 19.64 H +ATOM 10170 HE1 TRP B 828 7.701 115.479 9.181 1.00 19.95 H +ATOM 10171 HE3 TRP B 828 10.502 111.279 7.277 1.00 20.44 H +ATOM 10172 HZ2 TRP B 828 6.326 114.035 7.079 1.00 20.60 H +ATOM 10173 HZ3 TRP B 828 8.674 110.726 5.664 1.00 20.38 H +ATOM 10174 HH2 TRP B 828 6.630 112.072 5.572 1.00 20.55 H +ATOM 10175 N MET B 829 14.140 111.254 9.558 1.00 20.91 N +ATOM 10176 CA MET B 829 15.498 110.995 10.007 1.00 21.09 C +ATOM 10177 C MET B 829 16.353 112.219 10.324 1.00 20.95 C +ATOM 10178 O MET B 829 17.444 112.405 9.773 1.00 20.96 O +ATOM 10179 CB MET B 829 16.219 110.081 9.015 1.00 21.84 C +ATOM 10180 CG MET B 829 15.692 108.645 9.055 1.00 21.73 C +ATOM 10181 SD MET B 829 16.563 107.501 7.960 1.00 22.92 S +ATOM 10182 CE MET B 829 15.839 107.970 6.370 1.00 20.75 C +ATOM 10183 H MET B 829 13.938 111.337 8.571 1.00 20.91 H +ATOM 10184 HA MET B 829 15.412 110.432 10.936 1.00 21.09 H +ATOM 10185 HB3 MET B 829 17.287 110.081 9.232 1.00 21.84 H +ATOM 10186 HB2 MET B 829 16.106 110.480 8.007 1.00 21.84 H +ATOM 10187 HG3 MET B 829 14.630 108.643 8.809 1.00 21.73 H +ATOM 10188 HG2 MET B 829 15.739 108.272 10.078 1.00 21.73 H +ATOM 10189 HE1 MET B 829 16.270 107.356 5.579 1.00 20.75 H +ATOM 10190 HE2 MET B 829 14.760 107.817 6.402 1.00 20.75 H +ATOM 10191 HE3 MET B 829 16.050 109.021 6.170 1.00 20.75 H +ATOM 10192 N PHE B 830 15.829 113.062 11.206 1.00 20.15 N +ATOM 10193 CA PHE B 830 16.545 114.236 11.692 1.00 19.96 C +ATOM 10194 C PHE B 830 15.928 114.509 13.059 1.00 19.83 C +ATOM 10195 O PHE B 830 14.914 113.893 13.415 1.00 20.08 O +ATOM 10196 CB PHE B 830 16.437 115.433 10.711 1.00 19.76 C +ATOM 10197 CG PHE B 830 15.083 116.097 10.659 1.00 20.33 C +ATOM 10198 CD1 PHE B 830 14.750 117.102 11.563 1.00 19.52 C +ATOM 10199 CD2 PHE B 830 14.157 115.752 9.671 1.00 19.74 C +ATOM 10200 CE1 PHE B 830 13.516 117.763 11.485 1.00 19.28 C +ATOM 10201 CE2 PHE B 830 12.914 116.408 9.582 1.00 19.28 C +ATOM 10202 CZ PHE B 830 12.598 117.416 10.493 1.00 18.97 C +ATOM 10203 H PHE B 830 14.899 112.902 11.567 1.00 20.15 H +ATOM 10204 HA PHE B 830 17.596 113.979 11.823 1.00 19.96 H +ATOM 10205 HB3 PHE B 830 16.717 115.105 9.710 1.00 19.76 H +ATOM 10206 HB2 PHE B 830 17.193 116.176 10.965 1.00 19.76 H +ATOM 10207 HD1 PHE B 830 15.447 117.384 12.338 1.00 19.52 H +ATOM 10208 HD2 PHE B 830 14.390 114.971 8.962 1.00 19.74 H +ATOM 10209 HE1 PHE B 830 13.275 118.542 12.193 1.00 19.28 H +ATOM 10210 HE2 PHE B 830 12.210 116.131 8.811 1.00 19.28 H +ATOM 10211 HZ PHE B 830 11.648 117.927 10.434 1.00 18.97 H +ATOM 10212 N HIS B 831 16.543 115.383 13.848 1.00 19.62 N +ATOM 10213 CA HIS B 831 16.021 115.662 15.178 1.00 19.63 C +ATOM 10214 C HIS B 831 14.884 116.670 15.101 1.00 20.08 C +ATOM 10215 O HIS B 831 15.096 117.889 15.106 1.00 19.42 O +ATOM 10216 CB HIS B 831 17.135 116.176 16.091 1.00 19.90 C +ATOM 10217 CG HIS B 831 16.896 115.899 17.542 1.00 20.03 C +ATOM 10218 ND1 HIS B 831 15.878 116.494 18.254 1.00 20.90 N +ATOM 10219 CD2 HIS B 831 17.525 115.068 18.407 1.00 20.47 C +ATOM 10220 CE1 HIS B 831 15.890 116.042 19.497 1.00 20.61 C +ATOM 10221 NE2 HIS B 831 16.880 115.175 19.615 1.00 20.05 N +ATOM 10222 H HIS B 831 17.375 115.855 13.526 1.00 19.62 H +ATOM 10223 HA HIS B 831 15.632 114.734 15.598 1.00 19.63 H +ATOM 10224 HB3 HIS B 831 17.258 117.249 15.942 1.00 19.90 H +ATOM 10225 HB2 HIS B 831 18.083 115.731 15.789 1.00 19.90 H +ATOM 10226 HD2 HIS B 831 18.370 114.483 18.075 1.00 20.47 H +ATOM 10227 HE1 HIS B 831 15.159 116.398 20.208 1.00 20.61 H +ATOM 10228 HE2 HIS B 831 17.195 114.632 20.405 1.00 20.05 H +ATOM 10229 N GLN B 832 13.670 116.140 15.032 1.00 20.32 N +ATOM 10230 CA GLN B 832 12.473 116.961 14.929 1.00 20.84 C +ATOM 10231 C GLN B 832 12.299 117.939 16.080 1.00 21.44 C +ATOM 10232 O GLN B 832 11.950 119.105 15.860 1.00 21.32 O +ATOM 10233 CB GLN B 832 11.245 116.056 14.802 1.00 20.35 C +ATOM 10234 CG GLN B 832 11.103 115.433 13.416 1.00 19.23 C +ATOM 10235 CD GLN B 832 10.094 114.298 13.383 1.00 19.47 C +ATOM 10236 OE1 GLN B 832 10.466 113.125 13.313 1.00 18.37 O +ATOM 10237 NE2 GLN B 832 8.814 114.641 13.444 1.00 17.74 N +ATOM 10238 H GLN B 832 13.555 115.137 15.049 1.00 20.32 H +ATOM 10239 HA GLN B 832 12.550 117.543 14.010 1.00 20.84 H +ATOM 10240 HB3 GLN B 832 10.347 116.628 15.035 1.00 20.35 H +ATOM 10241 HB2 GLN B 832 11.299 115.265 15.550 1.00 20.35 H +ATOM 10242 HG3 GLN B 832 12.073 115.065 13.083 1.00 19.23 H +ATOM 10243 HG2 GLN B 832 10.807 116.202 12.703 1.00 19.23 H +ATOM 10244 HE22 GLN B 832 8.099 113.928 13.426 1.00 17.74 H +ATOM 10245 HE21 GLN B 832 8.555 115.615 13.508 1.00 17.74 H +ATOM 10246 N GLN B 833 12.540 117.472 17.303 1.00 21.44 N +ATOM 10247 CA GLN B 833 12.401 118.327 18.474 1.00 22.21 C +ATOM 10248 C GLN B 833 13.403 119.480 18.429 1.00 21.71 C +ATOM 10249 O GLN B 833 13.032 120.638 18.592 1.00 21.26 O +ATOM 10250 CB GLN B 833 12.607 117.526 19.773 1.00 23.83 C +ATOM 10251 CG GLN B 833 12.063 118.251 21.007 1.00 28.43 C +ATOM 10252 CD GLN B 833 12.404 117.579 22.339 1.00 30.89 C +ATOM 10253 OE1 GLN B 833 12.545 116.351 22.419 1.00 32.95 O +ATOM 10254 NE2 GLN B 833 12.515 118.386 23.396 1.00 28.87 N +ATOM 10255 H GLN B 833 12.824 116.511 17.430 1.00 21.44 H +ATOM 10256 HA GLN B 833 11.394 118.744 18.481 1.00 22.21 H +ATOM 10257 HB3 GLN B 833 13.670 117.325 19.910 1.00 23.83 H +ATOM 10258 HB2 GLN B 833 12.121 116.554 19.680 1.00 23.83 H +ATOM 10259 HG3 GLN B 833 10.981 118.350 20.919 1.00 28.43 H +ATOM 10260 HG2 GLN B 833 12.432 119.276 21.014 1.00 28.43 H +ATOM 10261 HE22 GLN B 833 12.738 118.002 24.304 1.00 28.87 H +ATOM 10262 HE21 GLN B 833 12.376 119.381 23.289 1.00 28.87 H +ATOM 10263 N ALA B 834 14.674 119.161 18.211 1.00 20.87 N +ATOM 10264 CA ALA B 834 15.702 120.188 18.171 1.00 20.84 C +ATOM 10265 C ALA B 834 15.394 121.274 17.144 1.00 20.46 C +ATOM 10266 O ALA B 834 15.570 122.458 17.428 1.00 20.24 O +ATOM 10267 CB ALA B 834 17.070 119.565 17.887 1.00 20.69 C +ATOM 10268 H ALA B 834 14.935 118.196 18.070 1.00 20.87 H +ATOM 10269 HA ALA B 834 15.745 120.658 19.153 1.00 20.84 H +ATOM 10270 HB1 ALA B 834 17.828 120.348 17.861 1.00 20.69 H +ATOM 10271 HB2 ALA B 834 17.314 118.850 18.673 1.00 20.69 H +ATOM 10272 HB3 ALA B 834 17.044 119.052 16.926 1.00 20.69 H +ATOM 10273 N LEU B 835 14.929 120.885 15.961 1.00 19.36 N +ATOM 10274 CA LEU B 835 14.624 121.881 14.941 1.00 18.92 C +ATOM 10275 C LEU B 835 13.498 122.804 15.406 1.00 18.96 C +ATOM 10276 O LEU B 835 13.532 124.012 15.163 1.00 18.30 O +ATOM 10277 CB LEU B 835 14.241 121.207 13.615 1.00 18.15 C +ATOM 10278 CG LEU B 835 13.941 122.211 12.490 1.00 18.36 C +ATOM 10279 CD1 LEU B 835 15.138 123.139 12.300 1.00 17.32 C +ATOM 10280 CD2 LEU B 835 13.623 121.477 11.199 1.00 17.71 C +ATOM 10281 H LEU B 835 14.788 119.903 15.772 1.00 19.36 H +ATOM 10282 HA LEU B 835 15.516 122.485 14.774 1.00 18.92 H +ATOM 10283 HB3 LEU B 835 13.372 120.569 13.771 1.00 18.15 H +ATOM 10284 HB2 LEU B 835 15.045 120.542 13.301 1.00 18.15 H +ATOM 10285 HG LEU B 835 13.076 122.809 12.775 1.00 18.36 H +ATOM 10286 HD11 LEU B 835 14.924 123.850 11.502 1.00 17.32 H +ATOM 10287 HD12 LEU B 835 15.330 123.680 13.226 1.00 17.32 H +ATOM 10288 HD13 LEU B 835 16.016 122.550 12.035 1.00 17.32 H +ATOM 10289 HD21 LEU B 835 13.413 122.200 10.411 1.00 17.71 H +ATOM 10290 HD22 LEU B 835 14.476 120.863 10.910 1.00 17.71 H +ATOM 10291 HD23 LEU B 835 12.752 120.840 11.349 1.00 17.71 H +ATOM 10292 N GLN B 836 12.499 122.238 16.076 1.00 19.18 N +ATOM 10293 CA GLN B 836 11.389 123.044 16.573 1.00 19.56 C +ATOM 10294 C GLN B 836 11.904 123.997 17.654 1.00 19.56 C +ATOM 10295 O GLN B 836 11.472 125.145 17.743 1.00 19.37 O +ATOM 10296 CB GLN B 836 10.275 122.144 17.125 1.00 19.82 C +ATOM 10297 CG GLN B 836 9.550 121.327 16.043 1.00 20.16 C +ATOM 10298 CD GLN B 836 8.395 120.505 16.593 1.00 20.39 C +ATOM 10299 OE1 GLN B 836 7.522 121.027 17.293 1.00 21.45 O +ATOM 10300 NE2 GLN B 836 8.377 119.219 16.273 1.00 20.47 N +ATOM 10301 H GLN B 836 12.504 121.242 16.244 1.00 19.18 H +ATOM 10302 HA GLN B 836 10.987 123.634 15.749 1.00 19.56 H +ATOM 10303 HB3 GLN B 836 9.550 122.754 17.663 1.00 19.82 H +ATOM 10304 HB2 GLN B 836 10.693 121.467 17.870 1.00 19.82 H +ATOM 10305 HG3 GLN B 836 10.263 120.665 15.551 1.00 20.16 H +ATOM 10306 HG2 GLN B 836 9.180 121.999 15.269 1.00 20.16 H +ATOM 10307 HE22 GLN B 836 7.633 118.625 16.610 1.00 20.47 H +ATOM 10308 HE21 GLN B 836 9.107 118.833 15.691 1.00 20.47 H +ATOM 10309 N GLU B 837 12.852 123.530 18.457 1.00 19.60 N +ATOM 10310 CA GLU B 837 13.410 124.367 19.512 1.00 20.08 C +ATOM 10311 C GLU B 837 14.171 125.543 18.915 1.00 20.02 C +ATOM 10312 O GLU B 837 14.037 126.677 19.381 1.00 19.41 O +ATOM 10313 CB GLU B 837 14.304 123.527 20.434 1.00 20.57 C +ATOM 10314 CG GLU B 837 13.483 122.620 21.361 1.00 22.16 C +ATOM 10315 CD GLU B 837 14.323 121.677 22.207 1.00 23.11 C +ATOM 10316 OE1 GLU B 837 15.520 121.960 22.409 1.00 23.32 O +ATOM 10317 OE2 GLU B 837 13.774 120.656 22.685 1.00 22.82 O1- +ATOM 10318 H GLU B 837 13.194 122.587 18.341 1.00 19.60 H +ATOM 10319 HA GLU B 837 12.585 124.762 20.106 1.00 20.08 H +ATOM 10320 HB3 GLU B 837 14.929 124.189 21.035 1.00 20.57 H +ATOM 10321 HB2 GLU B 837 14.975 122.916 19.830 1.00 20.57 H +ATOM 10322 HG3 GLU B 837 12.777 122.041 20.767 1.00 22.16 H +ATOM 10323 HG2 GLU B 837 12.863 123.236 22.013 1.00 22.16 H +ATOM 10324 N TYR B 838 14.951 125.284 17.869 1.00 19.89 N +ATOM 10325 CA TYR B 838 15.699 126.357 17.231 1.00 20.56 C +ATOM 10326 C TYR B 838 14.757 127.394 16.628 1.00 20.95 C +ATOM 10327 O TYR B 838 14.924 128.597 16.837 1.00 21.77 O +ATOM 10328 CB TYR B 838 16.612 125.823 16.122 1.00 20.32 C +ATOM 10329 CG TYR B 838 17.332 126.937 15.403 1.00 19.54 C +ATOM 10330 CD1 TYR B 838 18.300 127.700 16.060 1.00 20.08 C +ATOM 10331 CD2 TYR B 838 16.993 127.287 14.097 1.00 19.58 C +ATOM 10332 CE1 TYR B 838 18.907 128.785 15.444 1.00 18.81 C +ATOM 10333 CE2 TYR B 838 17.594 128.379 13.467 1.00 19.41 C +ATOM 10334 CZ TYR B 838 18.548 129.121 14.152 1.00 19.38 C +ATOM 10335 OH TYR B 838 19.133 130.210 13.553 1.00 19.66 O +ATOM 10336 H TYR B 838 15.025 124.340 17.516 1.00 19.89 H +ATOM 10337 HA TYR B 838 16.317 126.846 17.985 1.00 20.56 H +ATOM 10338 HB3 TYR B 838 16.018 125.254 15.407 1.00 20.32 H +ATOM 10339 HB2 TYR B 838 17.342 125.138 16.552 1.00 20.32 H +ATOM 10340 HD1 TYR B 838 18.591 127.450 17.070 1.00 20.08 H +ATOM 10341 HD2 TYR B 838 16.256 126.711 13.558 1.00 19.58 H +ATOM 10342 HE1 TYR B 838 19.653 129.359 15.974 1.00 18.81 H +ATOM 10343 HE2 TYR B 838 17.316 128.640 12.457 1.00 19.41 H +ATOM 10344 HH TYR B 838 18.565 130.532 12.848 1.00 19.66 H +ATOM 10345 N ILE B 839 13.766 126.926 15.878 1.00 20.90 N +ATOM 10346 CA ILE B 839 12.813 127.827 15.242 1.00 20.59 C +ATOM 10347 C ILE B 839 12.017 128.641 16.264 1.00 20.94 C +ATOM 10348 O ILE B 839 12.003 129.869 16.214 1.00 20.23 O +ATOM 10349 CB ILE B 839 11.821 127.050 14.345 1.00 20.42 C +ATOM 10350 CG1 ILE B 839 12.579 126.332 13.219 1.00 20.31 C +ATOM 10351 CG2 ILE B 839 10.785 128.005 13.767 1.00 20.58 C +ATOM 10352 CD1 ILE B 839 11.695 125.437 12.346 1.00 19.14 C +ATOM 10353 H ILE B 839 13.663 125.930 15.740 1.00 20.90 H +ATOM 10354 HA ILE B 839 13.369 128.522 14.612 1.00 20.59 H +ATOM 10355 HB ILE B 839 11.309 126.305 14.953 1.00 20.42 H +ATOM 10356 HG13 ILE B 839 13.384 125.736 13.649 1.00 20.31 H +ATOM 10357 HG12 ILE B 839 13.078 127.070 12.592 1.00 20.31 H +ATOM 10358 HG21 ILE B 839 10.090 127.449 13.136 1.00 20.58 H +ATOM 10359 HG22 ILE B 839 10.236 128.481 14.579 1.00 20.58 H +ATOM 10360 HG23 ILE B 839 11.286 128.768 13.171 1.00 20.58 H +ATOM 10361 HD11 ILE B 839 12.304 124.966 11.575 1.00 19.14 H +ATOM 10362 HD12 ILE B 839 11.233 124.668 12.965 1.00 19.14 H +ATOM 10363 HD13 ILE B 839 10.918 126.040 11.877 1.00 19.14 H +ATOM 10364 N LEU B 840 11.374 127.957 17.204 1.00 21.23 N +ATOM 10365 CA LEU B 840 10.557 128.637 18.203 1.00 21.50 C +ATOM 10366 C LEU B 840 11.295 129.590 19.132 1.00 21.80 C +ATOM 10367 O LEU B 840 10.779 130.661 19.440 1.00 22.01 O +ATOM 10368 CB LEU B 840 9.782 127.614 19.039 1.00 20.81 C +ATOM 10369 CG LEU B 840 8.740 126.812 18.257 1.00 21.17 C +ATOM 10370 CD1 LEU B 840 8.143 125.724 19.144 1.00 20.16 C +ATOM 10371 CD2 LEU B 840 7.662 127.759 17.731 1.00 20.56 C +ATOM 10372 H LEU B 840 11.446 126.950 17.234 1.00 21.23 H +ATOM 10373 HA LEU B 840 9.819 129.229 17.661 1.00 21.50 H +ATOM 10374 HB3 LEU B 840 9.296 128.122 19.872 1.00 20.81 H +ATOM 10375 HB2 LEU B 840 10.485 126.928 19.512 1.00 20.81 H +ATOM 10376 HG LEU B 840 9.232 126.338 17.407 1.00 21.17 H +ATOM 10377 HD11 LEU B 840 7.402 125.159 18.578 1.00 20.16 H +ATOM 10378 HD12 LEU B 840 8.934 125.053 19.478 1.00 20.16 H +ATOM 10379 HD13 LEU B 840 7.666 126.182 20.010 1.00 20.16 H +ATOM 10380 HD21 LEU B 840 6.918 127.189 17.173 1.00 20.56 H +ATOM 10381 HD22 LEU B 840 7.180 128.262 18.569 1.00 20.56 H +ATOM 10382 HD23 LEU B 840 8.118 128.501 17.075 1.00 20.56 H +ATOM 10383 N MET B 841 12.490 129.205 19.576 1.00 21.85 N +ATOM 10384 CA MET B 841 13.272 130.037 20.492 1.00 21.94 C +ATOM 10385 C MET B 841 14.186 131.070 19.843 1.00 22.14 C +ATOM 10386 O MET B 841 14.382 132.146 20.401 1.00 22.21 O +ATOM 10387 CB MET B 841 14.133 129.164 21.421 1.00 21.98 C +ATOM 10388 CG MET B 841 13.371 128.414 22.510 1.00 21.91 C +ATOM 10389 SD MET B 841 14.490 127.603 23.699 1.00 24.29 S +ATOM 10390 CE MET B 841 14.799 126.019 22.865 1.00 21.90 C +ATOM 10391 H MET B 841 12.877 128.321 19.280 1.00 21.85 H +ATOM 10392 HA MET B 841 12.565 130.580 21.120 1.00 21.94 H +ATOM 10393 HB3 MET B 841 14.905 129.781 21.880 1.00 21.98 H +ATOM 10394 HB2 MET B 841 14.700 128.451 20.822 1.00 21.98 H +ATOM 10395 HG3 MET B 841 12.725 127.666 22.051 1.00 21.91 H +ATOM 10396 HG2 MET B 841 12.720 129.109 23.041 1.00 21.91 H +ATOM 10397 HE1 MET B 841 15.469 125.412 23.473 1.00 21.90 H +ATOM 10398 HE2 MET B 841 13.856 125.490 22.726 1.00 21.90 H +ATOM 10399 HE3 MET B 841 15.258 126.203 21.893 1.00 21.90 H +ATOM 10400 N CYS B 842 14.734 130.764 18.671 1.00 21.45 N +ATOM 10401 CA CYS B 842 15.673 131.682 18.034 1.00 21.58 C +ATOM 10402 C CYS B 842 15.255 132.390 16.745 1.00 21.56 C +ATOM 10403 O CYS B 842 15.893 133.362 16.357 1.00 21.58 O +ATOM 10404 CB CYS B 842 16.990 130.943 17.756 1.00 21.40 C +ATOM 10405 SG CYS B 842 17.611 129.948 19.145 1.00 23.48 S +ATOM 10406 H CYS B 842 14.501 129.892 18.217 1.00 21.45 H +ATOM 10407 HA CYS B 842 15.896 132.461 18.763 1.00 21.58 H +ATOM 10408 HB3 CYS B 842 17.752 131.663 17.459 1.00 21.40 H +ATOM 10409 HB2 CYS B 842 16.867 130.304 16.881 1.00 21.40 H +ATOM 10410 HG CYS B 842 16.707 129.018 19.467 1.00 23.48 H +ATOM 10411 N CYS B 843 14.201 131.922 16.085 1.00 21.60 N +ATOM 10412 CA CYS B 843 13.805 132.510 14.807 1.00 22.30 C +ATOM 10413 C CYS B 843 12.535 133.365 14.751 1.00 23.04 C +ATOM 10414 O CYS B 843 12.112 133.768 13.670 1.00 23.02 O +ATOM 10415 CB CYS B 843 13.709 131.395 13.759 1.00 21.27 C +ATOM 10416 SG CYS B 843 15.274 130.502 13.504 1.00 21.27 S +ATOM 10417 H CYS B 843 13.666 131.154 16.465 1.00 21.60 H +ATOM 10418 HA CYS B 843 14.626 133.156 14.497 1.00 22.30 H +ATOM 10419 HB3 CYS B 843 13.375 131.817 12.812 1.00 21.27 H +ATOM 10420 HB2 CYS B 843 12.933 130.688 14.053 1.00 21.27 H +ATOM 10421 HG CYS B 843 15.973 131.096 12.533 1.00 21.27 H +ATOM 10422 N GLN B 844 11.928 133.644 15.897 1.00 23.26 N +ATOM 10423 CA GLN B 844 10.716 134.454 15.911 1.00 24.57 C +ATOM 10424 C GLN B 844 11.025 135.906 16.237 1.00 25.37 C +ATOM 10425 O GLN B 844 11.756 136.191 17.177 1.00 25.23 O +ATOM 10426 CB GLN B 844 9.721 133.925 16.950 1.00 24.44 C +ATOM 10427 CG GLN B 844 9.161 132.546 16.660 1.00 24.32 C +ATOM 10428 CD GLN B 844 8.045 132.174 17.616 1.00 24.49 C +ATOM 10429 OE1 GLN B 844 6.815 132.490 17.234 1.00 25.36 O +ATOM 10430 NE2 GLN B 844 8.286 131.624 18.693 1.00 23.58 N +ATOM 10431 H GLN B 844 12.305 133.295 16.767 1.00 23.26 H +ATOM 10432 HA GLN B 844 10.252 134.407 14.926 1.00 24.57 H +ATOM 10433 HB3 GLN B 844 8.899 134.633 17.055 1.00 24.44 H +ATOM 10434 HB2 GLN B 844 10.192 133.923 17.933 1.00 24.44 H +ATOM 10435 HG3 GLN B 844 9.960 131.808 16.731 1.00 24.32 H +ATOM 10436 HG2 GLN B 844 8.788 132.513 15.637 1.00 24.32 H +ATOM 10437 HE22 GLN B 844 7.530 131.383 19.318 1.00 23.58 H +ATOM 10438 HE21 GLN B 844 9.240 131.414 18.951 1.00 23.58 H +ATOM 10439 N CYS B 845 10.476 136.825 15.450 1.00 26.68 N +ATOM 10440 CA CYS B 845 10.676 138.241 15.717 1.00 28.38 C +ATOM 10441 C CYS B 845 9.567 138.667 16.664 1.00 28.86 C +ATOM 10442 O CYS B 845 8.394 138.413 16.402 1.00 29.11 O +ATOM 10443 CB CYS B 845 10.580 139.065 14.436 1.00 29.07 C +ATOM 10444 SG CYS B 845 10.573 140.848 14.759 1.00 31.83 S +ATOM 10445 H CYS B 845 9.915 136.543 14.659 1.00 26.68 H +ATOM 10446 HA CYS B 845 11.647 138.396 16.187 1.00 28.38 H +ATOM 10447 HB3 CYS B 845 9.674 138.791 13.895 1.00 29.07 H +ATOM 10448 HB2 CYS B 845 11.417 138.819 13.782 1.00 29.07 H +ATOM 10449 HG CYS B 845 11.769 141.222 15.222 1.00 31.83 H +ATOM 10450 N PRO B 846 9.925 139.314 17.783 1.00 29.64 N +ATOM 10451 CA PRO B 846 8.951 139.778 18.779 1.00 30.07 C +ATOM 10452 C PRO B 846 7.786 140.551 18.163 1.00 30.25 C +ATOM 10453 O PRO B 846 6.648 140.441 18.619 1.00 31.57 O +ATOM 10454 CB PRO B 846 9.794 140.656 19.698 1.00 30.44 C +ATOM 10455 CG PRO B 846 11.128 139.988 19.651 1.00 30.78 C +ATOM 10456 CD PRO B 846 11.296 139.680 18.182 1.00 29.94 C +ATOM 10457 HA PRO B 846 8.567 138.925 19.339 1.00 30.07 H +ATOM 10458 HB3 PRO B 846 9.399 140.597 20.712 1.00 30.44 H +ATOM 10459 HB2 PRO B 846 9.876 141.653 19.266 1.00 30.44 H +ATOM 10460 HG3 PRO B 846 11.082 139.053 20.211 1.00 30.78 H +ATOM 10461 HG2 PRO B 846 11.896 140.697 19.960 1.00 30.78 H +ATOM 10462 HD2 PRO B 846 11.591 140.588 17.657 1.00 29.94 H +ATOM 10463 HD3 PRO B 846 11.946 138.812 18.069 1.00 29.94 H +ATOM 10464 N ALA B 847 8.078 141.328 17.126 1.00 29.97 N +ATOM 10465 CA ALA B 847 7.067 142.132 16.446 1.00 29.61 C +ATOM 10466 C ALA B 847 6.286 141.387 15.356 1.00 28.91 C +ATOM 10467 O ALA B 847 5.440 141.980 14.681 1.00 29.21 O +ATOM 10468 CB ALA B 847 7.725 143.368 15.845 1.00 29.62 C +ATOM 10469 H ALA B 847 9.027 141.377 16.783 1.00 29.97 H +ATOM 10470 HA ALA B 847 6.351 142.469 17.195 1.00 29.61 H +ATOM 10471 HB1 ALA B 847 6.972 143.970 15.337 1.00 29.62 H +ATOM 10472 HB2 ALA B 847 8.185 143.957 16.639 1.00 29.62 H +ATOM 10473 HB3 ALA B 847 8.489 143.062 15.131 1.00 29.62 H +ATOM 10474 N GLY B 848 6.559 140.098 15.182 1.00 27.95 N +ATOM 10475 CA GLY B 848 5.864 139.346 14.147 1.00 26.62 C +ATOM 10476 C GLY B 848 6.810 139.027 13.000 1.00 26.22 C +ATOM 10477 O GLY B 848 7.656 139.848 12.638 1.00 25.48 O +ATOM 10478 H GLY B 848 7.247 139.644 15.766 1.00 27.95 H +ATOM 10479 HA3 GLY B 848 5.025 139.933 13.774 1.00 26.62 H +ATOM 10480 HA2 GLY B 848 5.480 138.418 14.570 1.00 26.62 H +ATOM 10481 N GLY B 849 6.668 137.837 12.423 1.00 25.55 N +ATOM 10482 CA GLY B 849 7.543 137.432 11.340 1.00 24.49 C +ATOM 10483 C GLY B 849 8.665 136.573 11.897 1.00 24.32 C +ATOM 10484 O GLY B 849 8.926 136.592 13.104 1.00 23.65 O +ATOM 10485 H GLY B 849 5.945 137.206 12.738 1.00 25.55 H +ATOM 10486 HA3 GLY B 849 7.965 138.317 10.864 1.00 24.49 H +ATOM 10487 HA2 GLY B 849 6.974 136.858 10.609 1.00 24.49 H +ATOM 10488 N LEU B 850 9.323 135.798 11.039 1.00 24.06 N +ATOM 10489 CA LEU B 850 10.413 134.955 11.500 1.00 23.98 C +ATOM 10490 C LEU B 850 11.704 135.276 10.763 1.00 24.48 C +ATOM 10491 O LEU B 850 11.705 136.075 9.820 1.00 23.86 O +ATOM 10492 CB LEU B 850 10.050 133.472 11.373 1.00 23.08 C +ATOM 10493 CG LEU B 850 8.938 133.018 12.334 1.00 22.77 C +ATOM 10494 CD1 LEU B 850 7.577 133.260 11.698 1.00 22.39 C +ATOM 10495 CD2 LEU B 850 9.090 131.540 12.657 1.00 22.84 C +ATOM 10496 H LEU B 850 9.065 135.794 10.062 1.00 24.06 H +ATOM 10497 HA LEU B 850 10.573 135.169 12.557 1.00 23.98 H +ATOM 10498 HB3 LEU B 850 10.941 132.867 11.540 1.00 23.08 H +ATOM 10499 HB2 LEU B 850 9.750 133.260 10.347 1.00 23.08 H +ATOM 10500 HG LEU B 850 9.007 133.594 13.257 1.00 22.77 H +ATOM 10501 HD11 LEU B 850 6.793 132.936 12.382 1.00 22.39 H +ATOM 10502 HD12 LEU B 850 7.458 134.322 11.485 1.00 22.39 H +ATOM 10503 HD13 LEU B 850 7.504 132.694 10.769 1.00 22.39 H +ATOM 10504 HD21 LEU B 850 8.296 131.233 13.338 1.00 22.84 H +ATOM 10505 HD22 LEU B 850 9.025 130.957 11.738 1.00 22.84 H +ATOM 10506 HD23 LEU B 850 10.058 131.368 13.128 1.00 22.84 H +ATOM 10507 N LEU B 851 12.803 134.657 11.187 1.00 24.41 N +ATOM 10508 CA LEU B 851 14.085 134.967 10.580 1.00 25.16 C +ATOM 10509 C LEU B 851 15.170 133.898 10.488 1.00 24.28 C +ATOM 10510 O LEU B 851 14.987 132.751 10.885 1.00 24.17 O +ATOM 10511 CB LEU B 851 14.657 136.205 11.276 1.00 27.08 C +ATOM 10512 CG LEU B 851 14.191 136.426 12.714 1.00 28.24 C +ATOM 10513 CD1 LEU B 851 15.106 135.689 13.663 1.00 30.40 C +ATOM 10514 CD2 LEU B 851 14.195 137.908 13.035 1.00 28.52 C +ATOM 10515 H LEU B 851 12.744 133.974 11.929 1.00 24.41 H +ATOM 10516 HA LEU B 851 13.869 135.269 9.555 1.00 25.16 H +ATOM 10517 HB3 LEU B 851 14.426 137.090 10.683 1.00 27.08 H +ATOM 10518 HB2 LEU B 851 15.746 136.160 11.253 1.00 27.08 H +ATOM 10519 HG LEU B 851 13.178 136.040 12.824 1.00 28.24 H +ATOM 10520 HD11 LEU B 851 14.771 135.847 14.688 1.00 30.40 H +ATOM 10521 HD12 LEU B 851 15.084 134.623 13.435 1.00 30.40 H +ATOM 10522 HD13 LEU B 851 16.124 136.063 13.551 1.00 30.40 H +ATOM 10523 HD21 LEU B 851 13.862 138.059 14.062 1.00 28.52 H +ATOM 10524 HD22 LEU B 851 15.204 138.303 12.919 1.00 28.52 H +ATOM 10525 HD23 LEU B 851 13.521 138.429 12.355 1.00 28.52 H +ATOM 10526 N ASP B 852 16.298 134.327 9.927 1.00 23.54 N +ATOM 10527 CA ASP B 852 17.505 133.525 9.716 1.00 22.74 C +ATOM 10528 C ASP B 852 18.085 133.066 11.056 1.00 22.96 C +ATOM 10529 O ASP B 852 18.182 131.866 11.331 1.00 21.86 O +ATOM 10530 CB ASP B 852 18.508 134.401 8.944 1.00 22.44 C +ATOM 10531 CG ASP B 852 19.929 133.845 8.926 1.00 21.64 C +ATOM 10532 OD1 ASP B 852 20.271 132.919 9.692 1.00 20.50 O +ATOM 10533 OD2 ASP B 852 20.723 134.383 8.128 1.00 22.15 O1- +ATOM 10534 H ASP B 852 16.371 135.281 9.606 1.00 23.54 H +ATOM 10535 HA ASP B 852 17.255 132.651 9.115 1.00 22.74 H +ATOM 10536 HB3 ASP B 852 18.517 135.403 9.373 1.00 22.44 H +ATOM 10537 HB2 ASP B 852 18.159 134.534 7.920 1.00 22.44 H +ATOM 10538 N LYS B 853 18.481 134.031 11.879 1.00 23.19 N +ATOM 10539 CA LYS B 853 19.040 133.747 13.199 1.00 24.17 C +ATOM 10540 C LYS B 853 18.912 135.000 14.065 1.00 24.99 C +ATOM 10541 O LYS B 853 18.687 136.101 13.550 1.00 24.98 O +ATOM 10542 CB LYS B 853 20.514 133.323 13.091 1.00 23.28 C +ATOM 10543 CG LYS B 853 21.444 134.376 12.503 1.00 24.64 C +ATOM 10544 CD LYS B 853 22.919 133.960 12.615 1.00 24.30 C +ATOM 10545 CE LYS B 853 23.229 132.689 11.826 1.00 23.53 C +ATOM 10546 NZ LYS B 853 23.043 132.861 10.354 1.00 23.00 N1+ +ATOM 10547 H LYS B 853 18.400 134.998 11.599 1.00 23.19 H +ATOM 10548 HA LYS B 853 18.471 132.939 13.659 1.00 24.17 H +ATOM 10549 HB3 LYS B 853 20.584 132.410 12.501 1.00 23.28 H +ATOM 10550 HB2 LYS B 853 20.878 133.030 14.076 1.00 23.28 H +ATOM 10551 HG3 LYS B 853 21.294 135.323 13.023 1.00 24.64 H +ATOM 10552 HG2 LYS B 853 21.191 134.539 11.456 1.00 24.64 H +ATOM 10553 HD3 LYS B 853 23.174 133.806 13.663 1.00 24.30 H +ATOM 10554 HD2 LYS B 853 23.553 134.771 12.258 1.00 24.30 H +ATOM 10555 HE3 LYS B 853 22.591 131.879 12.179 1.00 23.53 H +ATOM 10556 HE2 LYS B 853 24.254 132.378 12.028 1.00 23.53 H +ATOM 10557 HZ1 LYS B 853 23.658 133.589 10.019 1.00 23.00 H +ATOM 10558 HZ2 LYS B 853 23.260 131.995 9.883 1.00 23.00 H +ATOM 10559 HZ3 LYS B 853 22.085 133.117 10.163 1.00 23.00 H +ATOM 10560 N PRO B 854 19.044 134.850 15.391 1.00 25.46 N +ATOM 10561 CA PRO B 854 18.931 136.005 16.285 1.00 26.57 C +ATOM 10562 C PRO B 854 19.822 137.157 15.827 1.00 27.39 C +ATOM 10563 O PRO B 854 21.002 136.960 15.527 1.00 27.46 O +ATOM 10564 CB PRO B 854 19.378 135.444 17.632 1.00 26.84 C +ATOM 10565 CG PRO B 854 18.997 133.988 17.543 1.00 26.21 C +ATOM 10566 CD PRO B 854 19.430 133.642 16.142 1.00 25.82 C +ATOM 10567 HA PRO B 854 17.893 136.334 16.342 1.00 26.57 H +ATOM 10568 HB3 PRO B 854 18.804 135.918 18.428 1.00 26.84 H +ATOM 10569 HB2 PRO B 854 20.462 135.527 17.715 1.00 26.84 H +ATOM 10570 HG3 PRO B 854 17.913 133.897 17.616 1.00 26.21 H +ATOM 10571 HG2 PRO B 854 19.594 133.417 18.254 1.00 26.21 H +ATOM 10572 HD2 PRO B 854 20.515 133.536 16.118 1.00 25.82 H +ATOM 10573 HD3 PRO B 854 18.844 132.795 15.785 1.00 25.82 H +ATOM 10574 N GLY B 855 19.255 138.356 15.762 1.00 28.52 N +ATOM 10575 CA GLY B 855 20.040 139.504 15.350 1.00 29.77 C +ATOM 10576 C GLY B 855 19.820 139.918 13.910 1.00 30.73 C +ATOM 10577 O GLY B 855 20.255 140.994 13.498 1.00 31.10 O +ATOM 10578 H GLY B 855 18.280 138.466 16.000 1.00 28.52 H +ATOM 10579 HA3 GLY B 855 21.098 139.294 15.508 1.00 29.77 H +ATOM 10580 HA2 GLY B 855 19.819 140.347 16.006 1.00 29.77 H +ATOM 10581 N LYS B 856 19.159 139.062 13.140 1.00 31.03 N +ATOM 10582 CA LYS B 856 18.876 139.355 11.743 1.00 31.52 C +ATOM 10583 C LYS B 856 17.502 139.998 11.654 1.00 31.88 C +ATOM 10584 O LYS B 856 16.699 139.894 12.580 1.00 32.31 O +ATOM 10585 CB LYS B 856 18.882 138.068 10.914 1.00 32.36 C +ATOM 10586 CG LYS B 856 20.220 137.354 10.871 1.00 32.80 C +ATOM 10587 CD LYS B 856 21.228 138.131 10.044 1.00 33.96 C +ATOM 10588 CE LYS B 856 22.492 137.321 9.830 1.00 34.48 C +ATOM 10589 NZ LYS B 856 23.441 138.030 8.937 1.00 36.69 N1+ +ATOM 10590 H LYS B 856 18.839 138.183 13.520 1.00 31.03 H +ATOM 10591 HA LYS B 856 19.627 140.043 11.355 1.00 31.52 H +ATOM 10592 HB3 LYS B 856 18.560 138.292 9.897 1.00 32.36 H +ATOM 10593 HB2 LYS B 856 18.122 137.387 11.297 1.00 32.36 H +ATOM 10594 HG3 LYS B 856 20.088 136.360 10.443 1.00 32.80 H +ATOM 10595 HG2 LYS B 856 20.599 137.234 11.886 1.00 32.80 H +ATOM 10596 HD3 LYS B 856 21.475 139.062 10.553 1.00 33.96 H +ATOM 10597 HD2 LYS B 856 20.789 138.380 9.077 1.00 33.96 H +ATOM 10598 HE3 LYS B 856 22.235 136.355 9.394 1.00 34.48 H +ATOM 10599 HE2 LYS B 856 22.970 137.134 10.792 1.00 34.48 H +ATOM 10600 HZ1 LYS B 856 23.693 138.917 9.349 1.00 36.69 H +ATOM 10601 HZ2 LYS B 856 24.271 137.468 8.813 1.00 36.69 H +ATOM 10602 HZ3 LYS B 856 23.005 138.188 8.039 1.00 36.69 H +ATOM 10603 N SER B 857 17.233 140.660 10.536 1.00 31.82 N +ATOM 10604 CA SER B 857 15.943 141.301 10.331 1.00 31.56 C +ATOM 10605 C SER B 857 14.965 140.275 9.789 1.00 30.40 C +ATOM 10606 O SER B 857 15.346 139.331 9.099 1.00 30.60 O +ATOM 10607 CB SER B 857 16.058 142.444 9.317 1.00 32.60 C +ATOM 10608 OG SER B 857 17.022 143.404 9.718 1.00 35.61 O +ATOM 10609 H SER B 857 17.930 140.727 9.808 1.00 31.82 H +ATOM 10610 HA SER B 857 15.574 141.691 11.280 1.00 31.56 H +ATOM 10611 HB3 SER B 857 15.088 142.929 9.206 1.00 32.60 H +ATOM 10612 HB2 SER B 857 16.333 142.039 8.344 1.00 32.60 H +ATOM 10613 HG SER B 857 17.881 142.982 9.797 1.00 35.61 H +ATOM 10614 N ARG B 858 13.699 140.467 10.107 1.00 29.05 N +ATOM 10615 CA ARG B 858 12.660 139.581 9.625 1.00 27.93 C +ATOM 10616 C ARG B 858 12.401 139.921 8.157 1.00 26.84 C +ATOM 10617 O ARG B 858 12.693 141.030 7.701 1.00 26.19 O +ATOM 10618 CB ARG B 858 11.381 139.829 10.412 1.00 28.08 C +ATOM 10619 CG ARG B 858 10.832 141.233 10.189 1.00 28.02 C +ATOM 10620 CD ARG B 858 9.624 141.503 11.055 1.00 28.85 C +ATOM 10621 NE ARG B 858 9.055 142.819 10.785 1.00 29.81 N +ATOM 10622 CZ ARG B 858 7.994 143.313 11.410 1.00 30.32 C +ATOM 10623 NH1 ARG B 858 7.386 142.600 12.347 1.00 30.43 N +ATOM 10624 NH2 ARG B 858 7.535 144.517 11.094 1.00 30.95 N1+ +ATOM 10625 H ARG B 858 13.439 141.244 10.697 1.00 29.05 H +ATOM 10626 HA ARG B 858 12.971 138.541 9.725 1.00 27.93 H +ATOM 10627 HB3 ARG B 858 11.574 139.680 11.474 1.00 28.08 H +ATOM 10628 HB2 ARG B 858 10.629 139.096 10.122 1.00 28.08 H +ATOM 10629 HG3 ARG B 858 10.560 141.354 9.140 1.00 28.02 H +ATOM 10630 HG2 ARG B 858 11.608 141.966 10.410 1.00 28.02 H +ATOM 10631 HD3 ARG B 858 9.910 141.440 12.105 1.00 28.85 H +ATOM 10632 HD2 ARG B 858 8.870 140.737 10.874 1.00 28.85 H +ATOM 10633 HE ARG B 858 9.520 143.363 10.072 1.00 29.81 H +ATOM 10634 HH12 ARG B 858 6.579 142.976 12.824 1.00 30.43 H +ATOM 10635 HH11 ARG B 858 7.730 141.681 12.585 1.00 30.43 H +ATOM 10636 HH22 ARG B 858 6.727 144.891 11.572 1.00 30.95 H +ATOM 10637 HH21 ARG B 858 7.993 145.059 10.376 1.00 30.95 H +ATOM 10638 N ASP B 859 11.868 138.959 7.421 1.00 25.12 N +ATOM 10639 CA ASP B 859 11.497 139.166 6.029 1.00 24.41 C +ATOM 10640 C ASP B 859 10.507 138.057 5.711 1.00 23.40 C +ATOM 10641 O ASP B 859 10.434 137.065 6.436 1.00 23.23 O +ATOM 10642 CB ASP B 859 12.714 139.143 5.088 1.00 24.48 C +ATOM 10643 CG ASP B 859 13.468 137.828 5.117 1.00 25.85 C +ATOM 10644 OD1 ASP B 859 12.846 136.766 4.900 1.00 25.61 O +ATOM 10645 OD2 ASP B 859 14.693 137.863 5.348 1.00 27.42 O1- +ATOM 10646 H ASP B 859 11.707 138.047 7.822 1.00 25.12 H +ATOM 10647 HA ASP B 859 10.994 140.128 5.935 1.00 24.41 H +ATOM 10648 HB3 ASP B 859 13.392 139.955 5.352 1.00 24.48 H +ATOM 10649 HB2 ASP B 859 12.388 139.350 4.069 1.00 24.48 H +ATOM 10650 N PHE B 860 9.726 138.226 4.653 1.00 22.89 N +ATOM 10651 CA PHE B 860 8.725 137.230 4.304 1.00 22.17 C +ATOM 10652 C PHE B 860 9.288 135.892 3.842 1.00 21.73 C +ATOM 10653 O PHE B 860 8.657 134.854 4.020 1.00 21.77 O +ATOM 10654 CB PHE B 860 7.770 137.821 3.270 1.00 22.11 C +ATOM 10655 CG PHE B 860 7.029 139.027 3.782 1.00 23.13 C +ATOM 10656 CD1 PHE B 860 7.401 140.312 3.394 1.00 23.35 C +ATOM 10657 CD2 PHE B 860 6.005 138.879 4.716 1.00 22.81 C +ATOM 10658 CE1 PHE B 860 6.765 141.431 3.937 1.00 23.90 C +ATOM 10659 CE2 PHE B 860 5.366 139.990 5.263 1.00 22.68 C +ATOM 10660 CZ PHE B 860 5.745 141.264 4.875 1.00 23.08 C +ATOM 10661 H PHE B 860 9.823 139.052 4.080 1.00 22.89 H +ATOM 10662 HA PHE B 860 8.141 137.037 5.203 1.00 22.17 H +ATOM 10663 HB3 PHE B 860 7.054 137.060 2.962 1.00 22.11 H +ATOM 10664 HB2 PHE B 860 8.329 138.093 2.374 1.00 22.11 H +ATOM 10665 HD1 PHE B 860 8.188 140.451 2.668 1.00 23.35 H +ATOM 10666 HD2 PHE B 860 5.696 137.891 5.026 1.00 22.81 H +ATOM 10667 HE1 PHE B 860 7.063 142.423 3.631 1.00 23.90 H +ATOM 10668 HE2 PHE B 860 4.576 139.857 5.988 1.00 22.68 H +ATOM 10669 HZ PHE B 860 5.253 142.127 5.298 1.00 23.08 H +ATOM 10670 N TYR B 861 10.480 135.917 3.258 1.00 21.45 N +ATOM 10671 CA TYR B 861 11.133 134.699 2.800 1.00 20.63 C +ATOM 10672 C TYR B 861 11.405 133.790 4.012 1.00 20.81 C +ATOM 10673 O TYR B 861 11.022 132.618 4.016 1.00 20.23 O +ATOM 10674 CB TYR B 861 12.440 135.061 2.087 1.00 20.18 C +ATOM 10675 CG TYR B 861 13.412 133.913 1.912 1.00 19.77 C +ATOM 10676 CD1 TYR B 861 13.339 133.066 0.808 1.00 19.73 C +ATOM 10677 CD2 TYR B 861 14.407 133.676 2.862 1.00 18.71 C +ATOM 10678 CE1 TYR B 861 14.244 132.002 0.653 1.00 19.70 C +ATOM 10679 CE2 TYR B 861 15.308 132.625 2.721 1.00 18.97 C +ATOM 10680 CZ TYR B 861 15.223 131.793 1.618 1.00 19.14 C +ATOM 10681 OH TYR B 861 16.119 130.756 1.489 1.00 19.94 O +ATOM 10682 H TYR B 861 10.957 136.797 3.121 1.00 21.45 H +ATOM 10683 HA TYR B 861 10.476 134.180 2.103 1.00 20.63 H +ATOM 10684 HB3 TYR B 861 12.932 135.871 2.625 1.00 20.18 H +ATOM 10685 HB2 TYR B 861 12.211 135.492 1.112 1.00 20.18 H +ATOM 10686 HD1 TYR B 861 12.579 133.222 0.056 1.00 19.73 H +ATOM 10687 HD2 TYR B 861 14.489 134.315 3.729 1.00 18.71 H +ATOM 10688 HE1 TYR B 861 14.175 131.355 -0.210 1.00 19.70 H +ATOM 10689 HE2 TYR B 861 16.069 132.461 3.470 1.00 18.97 H +ATOM 10690 HH TYR B 861 16.720 130.758 2.237 1.00 19.94 H +ATOM 10691 N HIS B 862 12.063 134.328 5.039 1.00 20.49 N +ATOM 10692 CA HIS B 862 12.345 133.529 6.228 1.00 20.59 C +ATOM 10693 C HIS B 862 11.068 133.174 6.992 1.00 20.10 C +ATOM 10694 O HIS B 862 10.976 132.109 7.603 1.00 19.54 O +ATOM 10695 CB HIS B 862 13.352 134.239 7.144 1.00 19.67 C +ATOM 10696 CG HIS B 862 14.757 134.189 6.628 1.00 20.50 C +ATOM 10697 ND1 HIS B 862 15.334 135.228 5.928 1.00 20.21 N +ATOM 10698 CD2 HIS B 862 15.671 133.188 6.635 1.00 20.22 C +ATOM 10699 CE1 HIS B 862 16.541 134.868 5.526 1.00 20.47 C +ATOM 10700 NE2 HIS B 862 16.769 133.635 5.939 1.00 20.53 N +ATOM 10701 H HIS B 862 12.367 135.290 4.996 1.00 20.49 H +ATOM 10702 HA HIS B 862 12.801 132.596 5.897 1.00 20.59 H +ATOM 10703 HB3 HIS B 862 13.315 133.793 8.137 1.00 19.67 H +ATOM 10704 HB2 HIS B 862 13.052 135.279 7.274 1.00 19.67 H +ATOM 10705 HD1 HIS B 862 14.827 136.092 5.797 1.00 20.21 H +ATOM 10706 HD2 HIS B 862 15.448 132.256 7.134 1.00 20.22 H +ATOM 10707 HE1 HIS B 862 17.149 135.558 4.959 1.00 20.47 H +ATOM 10708 N THR B 863 10.072 134.046 6.944 1.00 19.89 N +ATOM 10709 CA THR B 863 8.828 133.736 7.632 1.00 20.14 C +ATOM 10710 C THR B 863 8.230 132.493 6.975 1.00 20.33 C +ATOM 10711 O THR B 863 7.813 131.554 7.656 1.00 20.39 O +ATOM 10712 CB THR B 863 7.838 134.912 7.556 1.00 20.17 C +ATOM 10713 OG1 THR B 863 8.366 136.014 8.308 1.00 19.90 O +ATOM 10714 CG2 THR B 863 6.479 134.520 8.136 1.00 19.35 C +ATOM 10715 H THR B 863 10.182 134.911 6.435 1.00 19.89 H +ATOM 10716 HA THR B 863 9.044 133.518 8.678 1.00 20.14 H +ATOM 10717 HB THR B 863 7.713 135.212 6.515 1.00 20.17 H +ATOM 10718 HG1 THR B 863 9.057 136.446 7.801 1.00 19.90 H +ATOM 10719 HG21 THR B 863 5.797 135.368 8.071 1.00 19.35 H +ATOM 10720 HG22 THR B 863 6.071 133.682 7.572 1.00 19.35 H +ATOM 10721 HG23 THR B 863 6.599 134.230 9.180 1.00 19.35 H +ATOM 10722 N CYS B 864 8.219 132.480 5.644 1.00 19.95 N +ATOM 10723 CA CYS B 864 7.684 131.353 4.899 1.00 19.38 C +ATOM 10724 C CYS B 864 8.405 130.036 5.180 1.00 19.06 C +ATOM 10725 O CYS B 864 7.775 129.036 5.521 1.00 18.43 O +ATOM 10726 CB CYS B 864 7.742 131.629 3.393 1.00 19.63 C +ATOM 10727 SG CYS B 864 7.355 130.173 2.369 1.00 20.19 S +ATOM 10728 H CYS B 864 8.588 133.265 5.128 1.00 19.95 H +ATOM 10729 HA CYS B 864 6.638 131.230 5.179 1.00 19.38 H +ATOM 10730 HB3 CYS B 864 8.732 132.003 3.132 1.00 19.63 H +ATOM 10731 HB2 CYS B 864 7.054 132.438 3.147 1.00 19.63 H +ATOM 10732 HG CYS B 864 8.231 129.199 2.629 1.00 20.19 H +ATOM 10733 N TYR B 865 9.727 130.030 5.051 1.00 18.76 N +ATOM 10734 CA TYR B 865 10.468 128.787 5.249 1.00 19.16 C +ATOM 10735 C TYR B 865 10.671 128.305 6.680 1.00 18.91 C +ATOM 10736 O TYR B 865 10.811 127.099 6.907 1.00 18.40 O +ATOM 10737 CB TYR B 865 11.788 128.853 4.476 1.00 18.35 C +ATOM 10738 CG TYR B 865 11.514 128.911 2.991 1.00 19.37 C +ATOM 10739 CD1 TYR B 865 11.650 130.103 2.274 1.00 19.92 C +ATOM 10740 CD2 TYR B 865 11.017 127.794 2.319 1.00 18.91 C +ATOM 10741 CE1 TYR B 865 11.289 130.178 0.921 1.00 19.95 C +ATOM 10742 CE2 TYR B 865 10.657 127.857 0.974 1.00 19.16 C +ATOM 10743 CZ TYR B 865 10.792 129.050 0.281 1.00 19.73 C +ATOM 10744 OH TYR B 865 10.421 129.114 -1.046 1.00 19.87 O +ATOM 10745 H TYR B 865 10.216 130.882 4.816 1.00 18.76 H +ATOM 10746 HA TYR B 865 9.879 128.012 4.758 1.00 19.16 H +ATOM 10747 HB3 TYR B 865 12.385 127.970 4.701 1.00 18.35 H +ATOM 10748 HB2 TYR B 865 12.341 129.743 4.778 1.00 18.35 H +ATOM 10749 HD1 TYR B 865 12.038 130.985 2.761 1.00 19.92 H +ATOM 10750 HD2 TYR B 865 10.904 126.856 2.841 1.00 18.91 H +ATOM 10751 HE1 TYR B 865 11.398 131.108 0.383 1.00 19.95 H +ATOM 10752 HE2 TYR B 865 10.275 126.978 0.476 1.00 19.16 H +ATOM 10753 HH TYR B 865 10.102 128.255 -1.331 1.00 19.87 H +ATOM 10754 N CYS B 866 10.683 129.223 7.647 1.00 18.61 N +ATOM 10755 CA CYS B 866 10.811 128.812 9.040 1.00 19.26 C +ATOM 10756 C CYS B 866 9.519 128.076 9.399 1.00 19.64 C +ATOM 10757 O CYS B 866 9.552 127.025 10.034 1.00 19.54 O +ATOM 10758 CB CYS B 866 10.984 130.020 9.973 1.00 20.03 C +ATOM 10759 SG CYS B 866 12.683 130.639 10.130 1.00 19.99 S +ATOM 10760 H CYS B 866 10.603 130.202 7.413 1.00 18.61 H +ATOM 10761 HA CYS B 866 11.661 128.138 9.149 1.00 19.26 H +ATOM 10762 HB3 CYS B 866 10.599 129.770 10.961 1.00 20.03 H +ATOM 10763 HB2 CYS B 866 10.335 130.829 9.638 1.00 20.03 H +ATOM 10764 HG CYS B 866 12.657 131.930 10.475 1.00 19.99 H +ATOM 10765 N LEU B 867 8.382 128.629 8.978 1.00 19.63 N +ATOM 10766 CA LEU B 867 7.092 128.006 9.272 1.00 19.53 C +ATOM 10767 C LEU B 867 6.955 126.690 8.515 1.00 19.21 C +ATOM 10768 O LEU B 867 6.479 125.696 9.063 1.00 17.97 O +ATOM 10769 CB LEU B 867 5.937 128.952 8.903 1.00 19.46 C +ATOM 10770 CG LEU B 867 5.828 130.257 9.712 1.00 19.75 C +ATOM 10771 CD1 LEU B 867 4.728 131.142 9.110 1.00 20.06 C +ATOM 10772 CD2 LEU B 867 5.532 129.943 11.179 1.00 18.47 C +ATOM 10773 H LEU B 867 8.404 129.489 8.449 1.00 19.63 H +ATOM 10774 HA LEU B 867 7.042 127.798 10.341 1.00 19.53 H +ATOM 10775 HB3 LEU B 867 4.994 128.409 8.968 1.00 19.46 H +ATOM 10776 HB2 LEU B 867 5.995 129.191 7.841 1.00 19.46 H +ATOM 10777 HG LEU B 867 6.778 130.787 9.651 1.00 19.75 H +ATOM 10778 HD11 LEU B 867 4.651 132.066 9.682 1.00 20.06 H +ATOM 10779 HD12 LEU B 867 4.975 131.376 8.074 1.00 20.06 H +ATOM 10780 HD13 LEU B 867 3.776 130.613 9.144 1.00 20.06 H +ATOM 10781 HD21 LEU B 867 5.457 130.873 11.742 1.00 18.47 H +ATOM 10782 HD22 LEU B 867 4.591 129.398 11.252 1.00 18.47 H +ATOM 10783 HD23 LEU B 867 6.337 129.334 11.590 1.00 18.47 H +ATOM 10784 N SER B 868 7.381 126.685 7.253 1.00 19.36 N +ATOM 10785 CA SER B 868 7.305 125.471 6.445 1.00 19.56 C +ATOM 10786 C SER B 868 8.110 124.374 7.134 1.00 19.75 C +ATOM 10787 O SER B 868 7.666 123.228 7.237 1.00 19.88 O +ATOM 10788 CB SER B 868 7.865 125.718 5.043 1.00 18.65 C +ATOM 10789 OG SER B 868 7.092 126.678 4.351 1.00 18.80 O +ATOM 10790 H SER B 868 7.762 127.527 6.845 1.00 19.36 H +ATOM 10791 HA SER B 868 6.264 125.157 6.366 1.00 19.56 H +ATOM 10792 HB3 SER B 868 7.867 124.782 4.484 1.00 18.65 H +ATOM 10793 HB2 SER B 868 8.895 126.068 5.120 1.00 18.65 H +ATOM 10794 HG SER B 868 7.274 127.552 4.705 1.00 18.80 H +ATOM 10795 N GLY B 869 9.294 124.741 7.608 1.00 19.75 N +ATOM 10796 CA GLY B 869 10.153 123.789 8.286 1.00 20.30 C +ATOM 10797 C GLY B 869 9.568 123.302 9.597 1.00 20.02 C +ATOM 10798 O GLY B 869 9.688 122.127 9.941 1.00 19.98 O +ATOM 10799 H GLY B 869 9.608 125.695 7.499 1.00 19.75 H +ATOM 10800 HA3 GLY B 869 11.125 124.246 8.470 1.00 20.30 H +ATOM 10801 HA2 GLY B 869 10.335 122.936 7.632 1.00 20.30 H +ATOM 10802 N LEU B 870 8.939 124.208 10.341 1.00 20.35 N +ATOM 10803 CA LEU B 870 8.331 123.856 11.619 1.00 20.05 C +ATOM 10804 C LEU B 870 7.234 122.810 11.397 1.00 20.70 C +ATOM 10805 O LEU B 870 7.116 121.843 12.152 1.00 20.35 O +ATOM 10806 CB LEU B 870 7.749 125.108 12.279 1.00 20.11 C +ATOM 10807 CG LEU B 870 7.028 124.937 13.618 1.00 20.85 C +ATOM 10808 CD1 LEU B 870 7.951 124.270 14.621 1.00 20.89 C +ATOM 10809 CD2 LEU B 870 6.576 126.295 14.132 1.00 20.58 C +ATOM 10810 H LEU B 870 8.874 125.165 10.023 1.00 20.35 H +ATOM 10811 HA LEU B 870 9.096 123.435 12.271 1.00 20.05 H +ATOM 10812 HB3 LEU B 870 7.082 125.606 11.575 1.00 20.11 H +ATOM 10813 HB2 LEU B 870 8.537 125.853 12.389 1.00 20.11 H +ATOM 10814 HG LEU B 870 6.152 124.306 13.470 1.00 20.85 H +ATOM 10815 HD11 LEU B 870 7.431 124.153 15.572 1.00 20.89 H +ATOM 10816 HD12 LEU B 870 8.249 123.291 14.247 1.00 20.89 H +ATOM 10817 HD13 LEU B 870 8.837 124.888 14.767 1.00 20.89 H +ATOM 10818 HD21 LEU B 870 6.063 126.170 15.086 1.00 20.58 H +ATOM 10819 HD22 LEU B 870 7.444 126.940 14.269 1.00 20.58 H +ATOM 10820 HD23 LEU B 870 5.896 126.750 13.412 1.00 20.58 H +ATOM 10821 N SER B 871 6.442 123.013 10.346 1.00 20.67 N +ATOM 10822 CA SER B 871 5.359 122.097 9.999 1.00 20.65 C +ATOM 10823 C SER B 871 5.892 120.697 9.675 1.00 20.52 C +ATOM 10824 O SER B 871 5.326 119.690 10.101 1.00 20.42 O +ATOM 10825 CB SER B 871 4.580 122.646 8.801 1.00 20.12 C +ATOM 10826 OG SER B 871 3.567 121.743 8.402 1.00 21.62 O +ATOM 10827 H SER B 871 6.581 123.823 9.758 1.00 20.67 H +ATOM 10828 HA SER B 871 4.681 122.022 10.849 1.00 20.65 H +ATOM 10829 HB3 SER B 871 5.264 122.814 7.969 1.00 20.12 H +ATOM 10830 HB2 SER B 871 4.130 123.602 9.068 1.00 20.12 H +ATOM 10831 HG SER B 871 2.742 122.220 8.284 1.00 21.62 H +ATOM 10832 N ILE B 872 6.979 120.633 8.915 1.00 20.12 N +ATOM 10833 CA ILE B 872 7.567 119.348 8.567 1.00 20.46 C +ATOM 10834 C ILE B 872 8.083 118.647 9.823 1.00 20.44 C +ATOM 10835 O ILE B 872 7.895 117.445 9.988 1.00 20.67 O +ATOM 10836 CB ILE B 872 8.709 119.531 7.544 1.00 20.19 C +ATOM 10837 CG1 ILE B 872 8.103 119.896 6.186 1.00 20.52 C +ATOM 10838 CG2 ILE B 872 9.558 118.256 7.449 1.00 20.14 C +ATOM 10839 CD1 ILE B 872 9.108 120.218 5.121 1.00 21.42 C +ATOM 10840 H ILE B 872 7.406 121.481 8.572 1.00 20.12 H +ATOM 10841 HA ILE B 872 6.795 118.726 8.116 1.00 20.46 H +ATOM 10842 HB ILE B 872 9.346 120.352 7.874 1.00 20.19 H +ATOM 10843 HG13 ILE B 872 7.424 120.740 6.308 1.00 20.52 H +ATOM 10844 HG12 ILE B 872 7.464 119.081 5.845 1.00 20.52 H +ATOM 10845 HG21 ILE B 872 10.357 118.405 6.723 1.00 20.14 H +ATOM 10846 HG22 ILE B 872 9.991 118.033 8.424 1.00 20.14 H +ATOM 10847 HG23 ILE B 872 8.930 117.424 7.131 1.00 20.14 H +ATOM 10848 HD11 ILE B 872 8.590 120.464 4.194 1.00 21.42 H +ATOM 10849 HD12 ILE B 872 9.712 121.069 5.435 1.00 21.42 H +ATOM 10850 HD13 ILE B 872 9.754 119.355 4.957 1.00 21.42 H +ATOM 10851 N ALA B 873 8.715 119.404 10.714 1.00 20.19 N +ATOM 10852 CA ALA B 873 9.242 118.840 11.954 1.00 20.52 C +ATOM 10853 C ALA B 873 8.128 118.359 12.883 1.00 20.77 C +ATOM 10854 O ALA B 873 8.352 117.480 13.719 1.00 20.79 O +ATOM 10855 CB ALA B 873 10.100 119.870 12.671 1.00 19.92 C +ATOM 10856 H ALA B 873 8.839 120.391 10.541 1.00 20.19 H +ATOM 10857 HA ALA B 873 9.871 117.986 11.702 1.00 20.52 H +ATOM 10858 HB1 ALA B 873 10.489 119.440 13.594 1.00 19.92 H +ATOM 10859 HB2 ALA B 873 10.931 120.161 12.029 1.00 19.92 H +ATOM 10860 HB3 ALA B 873 9.497 120.747 12.905 1.00 19.92 H +ATOM 10861 N GLN B 874 6.933 118.932 12.740 1.00 20.89 N +ATOM 10862 CA GLN B 874 5.796 118.553 13.585 1.00 22.08 C +ATOM 10863 C GLN B 874 5.028 117.341 13.065 1.00 22.17 C +ATOM 10864 O GLN B 874 4.441 116.596 13.851 1.00 22.31 O +ATOM 10865 CB GLN B 874 4.781 119.705 13.705 1.00 22.47 C +ATOM 10866 CG GLN B 874 5.255 120.986 14.374 1.00 22.86 C +ATOM 10867 CD GLN B 874 4.206 122.094 14.272 1.00 24.50 C +ATOM 10868 OE1 GLN B 874 3.408 122.119 13.327 1.00 24.36 O +ATOM 10869 NE2 GLN B 874 4.210 123.017 15.234 1.00 23.07 N +ATOM 10870 H GLN B 874 6.795 119.643 12.037 1.00 20.89 H +ATOM 10871 HA GLN B 874 6.171 118.321 14.582 1.00 22.08 H +ATOM 10872 HB3 GLN B 874 3.888 119.343 14.216 1.00 22.47 H +ATOM 10873 HB2 GLN B 874 4.389 119.941 12.716 1.00 22.47 H +ATOM 10874 HG3 GLN B 874 6.181 121.319 13.905 1.00 22.86 H +ATOM 10875 HG2 GLN B 874 5.473 120.789 15.423 1.00 22.86 H +ATOM 10876 HE22 GLN B 874 3.538 123.771 15.213 1.00 23.07 H +ATOM 10877 HE21 GLN B 874 4.885 122.963 15.983 1.00 23.07 H +ATOM 10878 N HIS B 875 5.028 117.143 11.751 1.00 22.55 N +ATOM 10879 CA HIS B 875 4.248 116.058 11.169 1.00 23.81 C +ATOM 10880 C HIS B 875 4.950 114.998 10.336 1.00 24.68 C +ATOM 10881 O HIS B 875 5.583 115.301 9.325 1.00 24.46 O +ATOM 10882 CB HIS B 875 3.128 116.645 10.312 1.00 23.32 C +ATOM 10883 CG HIS B 875 2.317 117.692 11.005 1.00 23.76 C +ATOM 10884 ND1 HIS B 875 1.346 117.593 11.942 1.00 24.50 N1+ +ATOM 10885 CD2 HIS B 875 2.443 119.036 10.722 1.00 23.31 C +ATOM 10886 CE1 HIS B 875 0.900 118.867 12.199 1.00 24.53 C +ATOM 10887 NE2 HIS B 875 1.578 119.719 11.451 1.00 25.16 N +ATOM 10888 H HIS B 875 5.571 117.746 11.149 1.00 22.55 H +ATOM 10889 HA HIS B 875 3.768 115.538 11.998 1.00 23.81 H +ATOM 10890 HB3 HIS B 875 2.471 115.843 9.976 1.00 23.32 H +ATOM 10891 HB2 HIS B 875 3.552 117.063 9.399 1.00 23.32 H +ATOM 10892 HD2 HIS B 875 3.124 119.347 10.044 1.00 23.31 H +ATOM 10893 HE1 HIS B 875 0.163 119.018 12.873 1.00 24.53 H +ATOM 10894 HE2 HIS B 875 1.528 120.794 11.362 1.00 25.16 H +ATOM 10895 HD1 HIS B 875 1.087 116.687 12.308 1.00 24.50 H +ATOM 10896 N PHE B 876 4.796 113.750 10.761 1.00 25.82 N +ATOM 10897 CA PHE B 876 5.347 112.609 10.051 1.00 27.51 C +ATOM 10898 C PHE B 876 4.166 111.899 9.406 1.00 29.06 C +ATOM 10899 O PHE B 876 3.098 111.780 10.010 1.00 28.25 O +ATOM 10900 CB PHE B 876 6.031 111.624 11.001 1.00 26.97 C +ATOM 10901 CG PHE B 876 6.387 110.313 10.345 1.00 27.40 C +ATOM 10902 CD1 PHE B 876 7.545 110.192 9.579 1.00 27.12 C +ATOM 10903 CD2 PHE B 876 5.525 109.219 10.434 1.00 26.90 C +ATOM 10904 CE1 PHE B 876 7.840 109.005 8.903 1.00 27.20 C +ATOM 10905 CE2 PHE B 876 5.811 108.025 9.761 1.00 27.30 C +ATOM 10906 CZ PHE B 876 6.970 107.918 8.993 1.00 27.12 C +ATOM 10907 H PHE B 876 4.279 113.565 11.609 1.00 25.82 H +ATOM 10908 HA PHE B 876 6.048 112.944 9.287 1.00 27.51 H +ATOM 10909 HB3 PHE B 876 5.382 111.436 11.857 1.00 26.97 H +ATOM 10910 HB2 PHE B 876 6.932 112.081 11.409 1.00 26.97 H +ATOM 10911 HD1 PHE B 876 8.230 111.024 9.500 1.00 27.12 H +ATOM 10912 HD2 PHE B 876 4.625 109.288 11.026 1.00 26.90 H +ATOM 10913 HE1 PHE B 876 8.741 108.929 8.312 1.00 27.20 H +ATOM 10914 HE2 PHE B 876 5.134 107.187 9.837 1.00 27.30 H +ATOM 10915 HZ PHE B 876 7.196 107.001 8.470 1.00 27.12 H +ATOM 10916 N GLY B 877 4.364 111.420 8.184 1.00 31.04 N +ATOM 10917 CA GLY B 877 3.305 110.718 7.489 1.00 33.94 C +ATOM 10918 C GLY B 877 3.899 109.780 6.459 1.00 36.24 C +ATOM 10919 O GLY B 877 4.718 110.193 5.643 1.00 37.44 O +ATOM 10920 H GLY B 877 5.259 111.543 7.732 1.00 31.04 H +ATOM 10921 HA3 GLY B 877 2.657 111.440 6.992 1.00 33.94 H +ATOM 10922 HA2 GLY B 877 2.718 110.145 8.206 1.00 33.94 H +ATOM 10923 N SER B 878 3.497 108.517 6.502 1.00 37.56 N +ATOM 10924 CA SER B 878 3.989 107.512 5.565 1.00 39.22 C +ATOM 10925 C SER B 878 2.963 106.386 5.535 1.00 40.52 C +ATOM 10926 O SER B 878 2.805 105.651 6.515 1.00 40.76 O +ATOM 10927 CB SER B 878 5.348 106.973 6.022 1.00 39.11 C +ATOM 10928 OG SER B 878 5.841 105.995 5.123 1.00 38.58 O +ATOM 10929 H SER B 878 2.829 108.224 7.200 1.00 37.56 H +ATOM 10930 HA SER B 878 4.083 107.951 4.572 1.00 39.22 H +ATOM 10931 HB3 SER B 878 5.250 106.536 7.015 1.00 39.11 H +ATOM 10932 HB2 SER B 878 6.060 107.795 6.090 1.00 39.11 H +ATOM 10933 HG SER B 878 5.961 105.164 5.588 1.00 38.58 H +ATOM 10934 N GLY B 879 2.269 106.254 4.410 1.00 41.40 N +ATOM 10935 CA GLY B 879 1.247 105.233 4.307 1.00 42.91 C +ATOM 10936 C GLY B 879 0.084 105.702 5.159 1.00 43.98 C +ATOM 10937 O GLY B 879 -0.260 106.887 5.144 1.00 44.53 O +ATOM 10938 H GLY B 879 2.455 106.865 3.627 1.00 41.40 H +ATOM 10939 HA3 GLY B 879 1.632 104.294 4.704 1.00 42.91 H +ATOM 10940 HA2 GLY B 879 0.924 105.147 3.269 1.00 42.91 H +ATOM 10941 N ALA B 880 -0.521 104.793 5.913 1.00 44.43 N +ATOM 10942 CA ALA B 880 -1.638 105.166 6.772 1.00 45.03 C +ATOM 10943 C ALA B 880 -1.090 105.608 8.123 1.00 45.23 C +ATOM 10944 O ALA B 880 -1.844 105.986 9.023 1.00 45.56 O +ATOM 10945 CB ALA B 880 -2.584 103.985 6.948 1.00 45.32 C +ATOM 10946 H ALA B 880 -0.208 103.833 5.895 1.00 44.43 H +ATOM 10947 HA ALA B 880 -2.180 105.994 6.316 1.00 45.03 H +ATOM 10948 HB1 ALA B 880 -3.414 104.276 7.591 1.00 45.32 H +ATOM 10949 HB2 ALA B 880 -2.969 103.679 5.975 1.00 45.32 H +ATOM 10950 HB3 ALA B 880 -2.047 103.153 7.403 1.00 45.32 H +ATOM 10951 N MET B 881 0.233 105.560 8.251 1.00 45.00 N +ATOM 10952 CA MET B 881 0.911 105.944 9.482 1.00 44.64 C +ATOM 10953 C MET B 881 1.063 107.451 9.639 1.00 43.24 C +ATOM 10954 O MET B 881 1.628 108.123 8.776 1.00 43.28 O +ATOM 10955 CB MET B 881 2.298 105.310 9.535 1.00 46.73 C +ATOM 10956 CG MET B 881 2.513 104.413 10.733 1.00 49.33 C +ATOM 10957 SD MET B 881 1.482 102.950 10.632 1.00 52.30 S +ATOM 10958 CE MET B 881 2.558 101.872 9.634 1.00 51.44 C +ATOM 10959 H MET B 881 0.804 105.249 7.479 1.00 45.00 H +ATOM 10960 HA MET B 881 0.330 105.569 10.324 1.00 44.64 H +ATOM 10961 HB3 MET B 881 3.055 106.095 9.531 1.00 46.73 H +ATOM 10962 HB2 MET B 881 2.471 104.742 8.622 1.00 46.73 H +ATOM 10963 HG3 MET B 881 2.276 104.961 11.645 1.00 49.33 H +ATOM 10964 HG2 MET B 881 3.561 104.115 10.781 1.00 49.33 H +ATOM 10965 HE1 MET B 881 2.065 100.913 9.475 1.00 51.44 H +ATOM 10966 HE2 MET B 881 2.753 102.344 8.671 1.00 51.44 H +ATOM 10967 HE3 MET B 881 3.501 101.714 10.158 1.00 51.44 H +ATOM 10968 N LEU B 882 0.557 107.973 10.751 1.00 41.02 N +ATOM 10969 CA LEU B 882 0.650 109.393 11.061 1.00 39.12 C +ATOM 10970 C LEU B 882 1.125 109.556 12.505 1.00 37.88 C +ATOM 10971 O LEU B 882 0.576 108.940 13.422 1.00 37.16 O +ATOM 10972 CB LEU B 882 -0.712 110.072 10.894 1.00 39.35 C +ATOM 10973 CG LEU B 882 -1.123 110.611 9.519 1.00 40.03 C +ATOM 10974 CD1 LEU B 882 -1.013 109.537 8.449 1.00 40.51 C +ATOM 10975 CD2 LEU B 882 -2.546 111.128 9.612 1.00 39.63 C +ATOM 10976 H LEU B 882 0.086 107.379 11.418 1.00 41.02 H +ATOM 10977 HA LEU B 882 1.370 109.861 10.391 1.00 39.12 H +ATOM 10978 HB3 LEU B 882 -0.803 110.870 11.630 1.00 39.35 H +ATOM 10979 HB2 LEU B 882 -1.490 109.401 11.259 1.00 39.35 H +ATOM 10980 HG LEU B 882 -0.465 111.439 9.255 1.00 40.03 H +ATOM 10981 HD11 LEU B 882 -1.311 109.951 7.486 1.00 40.51 H +ATOM 10982 HD12 LEU B 882 0.017 109.187 8.390 1.00 40.51 H +ATOM 10983 HD13 LEU B 882 -1.666 108.702 8.703 1.00 40.51 H +ATOM 10984 HD21 LEU B 882 -2.856 111.517 8.641 1.00 39.63 H +ATOM 10985 HD22 LEU B 882 -3.210 110.316 9.906 1.00 39.63 H +ATOM 10986 HD23 LEU B 882 -2.596 111.925 10.354 1.00 39.63 H +ATOM 10987 N HIS B 883 2.155 110.373 12.706 1.00 35.79 N +ATOM 10988 CA HIS B 883 2.672 110.613 14.046 1.00 34.19 C +ATOM 10989 C HIS B 883 3.091 112.073 14.192 1.00 32.91 C +ATOM 10990 O HIS B 883 3.996 112.546 13.502 1.00 32.24 O +ATOM 10991 CB HIS B 883 3.863 109.698 14.345 1.00 33.78 C +ATOM 10992 CG HIS B 883 4.388 109.837 15.742 1.00 34.71 C +ATOM 10993 ND1 HIS B 883 3.691 109.395 16.847 1.00 34.95 N +ATOM 10994 CD2 HIS B 883 5.522 110.408 16.217 1.00 34.70 C +ATOM 10995 CE1 HIS B 883 4.372 109.689 17.942 1.00 34.72 C +ATOM 10996 NE2 HIS B 883 5.486 110.304 17.587 1.00 34.51 N +ATOM 10997 H HIS B 883 2.592 110.837 11.923 1.00 35.79 H +ATOM 10998 HA HIS B 883 1.882 110.403 14.767 1.00 34.19 H +ATOM 10999 HB3 HIS B 883 4.664 109.904 13.635 1.00 33.78 H +ATOM 11000 HB2 HIS B 883 3.577 108.662 14.167 1.00 33.78 H +ATOM 11001 HD2 HIS B 883 6.242 110.832 15.532 1.00 34.70 H +ATOM 11002 HE1 HIS B 883 3.979 109.419 18.911 1.00 34.72 H +ATOM 11003 HE2 HIS B 883 6.245 110.675 18.142 1.00 34.51 H +ATOM 11004 N ASP B 884 2.422 112.784 15.092 1.00 31.27 N +ATOM 11005 CA ASP B 884 2.720 114.189 15.320 1.00 30.62 C +ATOM 11006 C ASP B 884 3.539 114.434 16.573 1.00 29.95 C +ATOM 11007 O ASP B 884 3.411 113.729 17.570 1.00 29.60 O +ATOM 11008 CB ASP B 884 1.426 114.997 15.404 1.00 31.08 C +ATOM 11009 CG ASP B 884 0.785 115.217 14.048 1.00 32.38 C +ATOM 11010 OD1 ASP B 884 -0.354 115.724 14.004 1.00 34.50 O +ATOM 11011 OD2 ASP B 884 1.417 114.895 13.021 1.00 32.53 O1- +ATOM 11012 H ASP B 884 1.689 112.350 15.635 1.00 31.27 H +ATOM 11013 HA ASP B 884 3.291 114.555 14.467 1.00 30.62 H +ATOM 11014 HB3 ASP B 884 1.631 115.962 15.868 1.00 31.08 H +ATOM 11015 HB2 ASP B 884 0.721 114.485 16.059 1.00 31.08 H +ATOM 11016 N VAL B 885 4.388 115.449 16.501 1.00 29.25 N +ATOM 11017 CA VAL B 885 5.232 115.847 17.614 1.00 28.53 C +ATOM 11018 C VAL B 885 5.177 117.363 17.642 1.00 27.22 C +ATOM 11019 O VAL B 885 6.006 118.024 17.032 1.00 28.25 O +ATOM 11020 CB VAL B 885 6.697 115.411 17.408 1.00 29.40 C +ATOM 11021 CG1 VAL B 885 7.554 115.950 18.546 1.00 29.85 C +ATOM 11022 CG2 VAL B 885 6.788 113.886 17.360 1.00 29.97 C +ATOM 11023 H VAL B 885 4.467 115.982 15.647 1.00 29.25 H +ATOM 11024 HA VAL B 885 4.844 115.438 18.547 1.00 28.53 H +ATOM 11025 HB VAL B 885 7.060 115.819 16.465 1.00 29.40 H +ATOM 11026 HG11 VAL B 885 8.589 115.642 18.400 1.00 29.85 H +ATOM 11027 HG12 VAL B 885 7.499 117.039 18.559 1.00 29.85 H +ATOM 11028 HG13 VAL B 885 7.189 115.557 19.495 1.00 29.85 H +ATOM 11029 HG21 VAL B 885 7.826 113.588 17.214 1.00 29.97 H +ATOM 11030 HG22 VAL B 885 6.419 113.470 18.297 1.00 29.97 H +ATOM 11031 HG23 VAL B 885 6.184 113.512 16.534 1.00 29.97 H +ATOM 11032 N VAL B 886 4.181 117.909 18.329 1.00 25.98 N +ATOM 11033 CA VAL B 886 4.033 119.353 18.419 1.00 24.40 C +ATOM 11034 C VAL B 886 4.597 119.861 19.740 1.00 24.05 C +ATOM 11035 O VAL B 886 3.976 119.717 20.796 1.00 23.63 O +ATOM 11036 CB VAL B 886 2.555 119.773 18.328 1.00 24.52 C +ATOM 11037 CG1 VAL B 886 2.445 121.295 18.343 1.00 23.06 C +ATOM 11038 CG2 VAL B 886 1.931 119.205 17.070 1.00 24.32 C +ATOM 11039 H VAL B 886 3.509 117.320 18.800 1.00 25.98 H +ATOM 11040 HA VAL B 886 4.583 119.816 17.600 1.00 24.40 H +ATOM 11041 HB VAL B 886 2.024 119.375 19.193 1.00 24.52 H +ATOM 11042 HG11 VAL B 886 1.396 121.585 18.278 1.00 23.06 H +ATOM 11043 HG12 VAL B 886 2.871 121.681 19.269 1.00 23.06 H +ATOM 11044 HG13 VAL B 886 2.989 121.708 17.494 1.00 23.06 H +ATOM 11045 HG21 VAL B 886 0.885 119.507 17.013 1.00 24.32 H +ATOM 11046 HG22 VAL B 886 2.465 119.581 16.197 1.00 24.32 H +ATOM 11047 HG23 VAL B 886 1.993 118.117 17.092 1.00 24.32 H +ATOM 11048 N LEU B 887 5.781 120.456 19.669 1.00 23.34 N +ATOM 11049 CA LEU B 887 6.439 120.996 20.850 1.00 23.26 C +ATOM 11050 C LEU B 887 5.745 122.273 21.321 1.00 22.40 C +ATOM 11051 O LEU B 887 5.287 123.074 20.505 1.00 22.77 O +ATOM 11052 CB LEU B 887 7.902 121.298 20.522 1.00 23.65 C +ATOM 11053 CG LEU B 887 8.783 121.754 21.683 1.00 24.93 C +ATOM 11054 CD1 LEU B 887 8.887 120.628 22.705 1.00 25.25 C +ATOM 11055 CD2 LEU B 887 10.174 122.130 21.156 1.00 25.43 C +ATOM 11056 H LEU B 887 6.250 120.543 18.779 1.00 23.34 H +ATOM 11057 HA LEU B 887 6.400 120.255 21.649 1.00 23.26 H +ATOM 11058 HB3 LEU B 887 7.945 122.041 19.726 1.00 23.65 H +ATOM 11059 HB2 LEU B 887 8.352 120.425 20.051 1.00 23.65 H +ATOM 11060 HG LEU B 887 8.331 122.626 22.155 1.00 24.93 H +ATOM 11061 HD11 LEU B 887 9.515 120.948 23.536 1.00 25.25 H +ATOM 11062 HD12 LEU B 887 7.892 120.380 23.076 1.00 25.25 H +ATOM 11063 HD13 LEU B 887 9.328 119.749 22.235 1.00 25.25 H +ATOM 11064 HD21 LEU B 887 10.802 122.455 21.985 1.00 25.43 H +ATOM 11065 HD22 LEU B 887 10.628 121.263 20.675 1.00 25.43 H +ATOM 11066 HD23 LEU B 887 10.082 122.940 20.432 1.00 25.43 H +ATOM 11067 N GLY B 888 5.672 122.458 22.634 1.00 21.65 N +ATOM 11068 CA GLY B 888 5.051 123.651 23.188 1.00 21.21 C +ATOM 11069 C GLY B 888 3.547 123.547 23.376 1.00 21.38 C +ATOM 11070 O GLY B 888 2.998 122.450 23.488 1.00 20.27 O +ATOM 11071 H GLY B 888 6.051 121.764 23.263 1.00 21.65 H +ATOM 11072 HA3 GLY B 888 5.277 124.505 22.550 1.00 21.21 H +ATOM 11073 HA2 GLY B 888 5.519 123.891 24.143 1.00 21.21 H +ATOM 11074 N VAL B 889 2.877 124.693 23.414 1.00 21.37 N +ATOM 11075 CA VAL B 889 1.432 124.706 23.579 1.00 22.09 C +ATOM 11076 C VAL B 889 0.815 124.077 22.337 1.00 23.02 C +ATOM 11077 O VAL B 889 1.330 124.245 21.228 1.00 22.92 O +ATOM 11078 CB VAL B 889 0.891 126.150 23.770 1.00 21.62 C +ATOM 11079 CG1 VAL B 889 1.449 126.743 25.058 1.00 21.25 C +ATOM 11080 CG2 VAL B 889 1.269 127.025 22.587 1.00 21.48 C +ATOM 11081 H VAL B 889 3.371 125.570 23.328 1.00 21.37 H +ATOM 11082 HA VAL B 889 1.167 124.108 24.451 1.00 22.09 H +ATOM 11083 HB VAL B 889 -0.196 126.110 23.844 1.00 21.62 H +ATOM 11084 HG11 VAL B 889 1.067 127.755 25.188 1.00 21.25 H +ATOM 11085 HG12 VAL B 889 1.142 126.128 25.904 1.00 21.25 H +ATOM 11086 HG13 VAL B 889 2.537 126.770 25.005 1.00 21.25 H +ATOM 11087 HG21 VAL B 889 0.880 128.032 22.740 1.00 21.48 H +ATOM 11088 HG22 VAL B 889 2.354 127.066 22.496 1.00 21.48 H +ATOM 11089 HG23 VAL B 889 0.844 126.608 21.674 1.00 21.48 H +ATOM 11090 N PRO B 890 -0.288 123.321 22.509 1.00 23.77 N +ATOM 11091 CA PRO B 890 -0.991 122.649 21.409 1.00 23.98 C +ATOM 11092 C PRO B 890 -1.289 123.544 20.209 1.00 23.75 C +ATOM 11093 O PRO B 890 -1.269 123.085 19.070 1.00 23.30 O +ATOM 11094 CB PRO B 890 -2.268 122.140 22.075 1.00 24.22 C +ATOM 11095 CG PRO B 890 -1.801 121.825 23.465 1.00 24.64 C +ATOM 11096 CD PRO B 890 -0.942 123.032 23.801 1.00 24.11 C +ATOM 11097 HA PRO B 890 -0.399 121.796 21.078 1.00 23.98 H +ATOM 11098 HB3 PRO B 890 -2.585 121.219 21.585 1.00 24.22 H +ATOM 11099 HB2 PRO B 890 -2.998 122.948 22.116 1.00 24.22 H +ATOM 11100 HG3 PRO B 890 -1.174 120.934 23.440 1.00 24.64 H +ATOM 11101 HG2 PRO B 890 -2.660 121.799 24.135 1.00 24.64 H +ATOM 11102 HD2 PRO B 890 -1.587 123.867 24.072 1.00 24.11 H +ATOM 11103 HD3 PRO B 890 -0.185 122.741 24.529 1.00 24.11 H +ATOM 11104 N GLU B 891 -1.559 124.817 20.466 1.00 24.20 N +ATOM 11105 CA GLU B 891 -1.866 125.754 19.390 1.00 25.28 C +ATOM 11106 C GLU B 891 -0.706 125.962 18.408 1.00 24.93 C +ATOM 11107 O GLU B 891 -0.888 126.571 17.350 1.00 25.22 O +ATOM 11108 CB GLU B 891 -2.299 127.108 19.969 1.00 26.75 C +ATOM 11109 CG GLU B 891 -3.597 127.051 20.774 1.00 30.15 C +ATOM 11110 CD GLU B 891 -3.380 126.758 22.264 1.00 32.26 C +ATOM 11111 OE1 GLU B 891 -2.524 125.913 22.615 1.00 31.48 O +ATOM 11112 OE2 GLU B 891 -4.090 127.378 23.089 1.00 34.59 O1- +ATOM 11113 H GLU B 891 -1.554 125.152 21.419 1.00 24.20 H +ATOM 11114 HA GLU B 891 -2.708 125.349 18.828 1.00 25.28 H +ATOM 11115 HB3 GLU B 891 -2.408 127.829 19.159 1.00 26.75 H +ATOM 11116 HB2 GLU B 891 -1.501 127.504 20.597 1.00 26.75 H +ATOM 11117 HG3 GLU B 891 -4.254 126.292 20.348 1.00 30.15 H +ATOM 11118 HG2 GLU B 891 -4.132 127.994 20.664 1.00 30.15 H +ATOM 11119 N ASN B 892 0.480 125.466 18.751 1.00 23.36 N +ATOM 11120 CA ASN B 892 1.633 125.614 17.868 1.00 22.87 C +ATOM 11121 C ASN B 892 1.496 124.776 16.602 1.00 22.09 C +ATOM 11122 O ASN B 892 2.174 125.034 15.612 1.00 21.31 O +ATOM 11123 CB ASN B 892 2.926 125.211 18.584 1.00 21.87 C +ATOM 11124 CG ASN B 892 3.353 126.222 19.635 1.00 22.43 C +ATOM 11125 OD1 ASN B 892 2.870 127.362 19.661 1.00 21.42 O +ATOM 11126 ND2 ASN B 892 4.278 125.813 20.497 1.00 20.95 N +ATOM 11127 H ASN B 892 0.589 124.981 19.630 1.00 23.36 H +ATOM 11128 HA ASN B 892 1.712 126.662 17.580 1.00 22.87 H +ATOM 11129 HB3 ASN B 892 3.724 125.092 17.850 1.00 21.87 H +ATOM 11130 HB2 ASN B 892 2.793 124.236 19.052 1.00 21.87 H +ATOM 11131 HD22 ASN B 892 4.605 126.438 21.220 1.00 20.95 H +ATOM 11132 HD21 ASN B 892 4.654 124.879 20.429 1.00 20.95 H +ATOM 11133 N ALA B 893 0.620 123.776 16.639 1.00 21.89 N +ATOM 11134 CA ALA B 893 0.411 122.894 15.490 1.00 21.92 C +ATOM 11135 C ALA B 893 0.048 123.669 14.228 1.00 22.12 C +ATOM 11136 O ALA B 893 -0.922 124.430 14.205 1.00 21.95 O +ATOM 11137 CB ALA B 893 -0.675 121.869 15.801 1.00 21.22 C +ATOM 11138 H ALA B 893 0.079 123.609 17.475 1.00 21.89 H +ATOM 11139 HA ALA B 893 1.340 122.357 15.302 1.00 21.92 H +ATOM 11140 HB1 ALA B 893 -0.820 121.219 14.937 1.00 21.22 H +ATOM 11141 HB2 ALA B 893 -0.374 121.269 16.659 1.00 21.22 H +ATOM 11142 HB3 ALA B 893 -1.608 122.384 16.028 1.00 21.22 H +ATOM 11143 N LEU B 894 0.837 123.473 13.178 1.00 21.91 N +ATOM 11144 CA LEU B 894 0.593 124.147 11.911 1.00 21.98 C +ATOM 11145 C LEU B 894 -0.082 123.197 10.928 1.00 22.87 C +ATOM 11146 O LEU B 894 -0.142 121.984 11.155 1.00 22.95 O +ATOM 11147 CB LEU B 894 1.913 124.626 11.300 1.00 21.05 C +ATOM 11148 CG LEU B 894 2.718 125.705 12.029 1.00 21.28 C +ATOM 11149 CD1 LEU B 894 4.059 125.886 11.327 1.00 20.09 C +ATOM 11150 CD2 LEU B 894 1.938 127.023 12.043 1.00 20.08 C +ATOM 11151 H LEU B 894 1.625 122.846 13.249 1.00 21.91 H +ATOM 11152 HA LEU B 894 -0.056 125.006 12.081 1.00 21.98 H +ATOM 11153 HB3 LEU B 894 1.734 124.948 10.274 1.00 21.05 H +ATOM 11154 HB2 LEU B 894 2.555 123.764 11.120 1.00 21.05 H +ATOM 11155 HG LEU B 894 2.894 125.385 13.056 1.00 21.28 H +ATOM 11156 HD11 LEU B 894 4.638 126.653 11.841 1.00 20.09 H +ATOM 11157 HD12 LEU B 894 4.609 124.945 11.343 1.00 20.09 H +ATOM 11158 HD13 LEU B 894 3.891 126.190 10.294 1.00 20.09 H +ATOM 11159 HD21 LEU B 894 2.519 127.784 12.564 1.00 20.08 H +ATOM 11160 HD22 LEU B 894 1.752 127.346 11.019 1.00 20.08 H +ATOM 11161 HD23 LEU B 894 0.987 126.878 12.556 1.00 20.08 H +ATOM 11162 N GLN B 895 -0.598 123.753 9.838 1.00 22.96 N +ATOM 11163 CA GLN B 895 -1.211 122.930 8.814 1.00 23.87 C +ATOM 11164 C GLN B 895 -0.058 122.230 8.101 1.00 23.35 C +ATOM 11165 O GLN B 895 1.034 122.788 7.969 1.00 23.07 O +ATOM 11166 CB GLN B 895 -1.998 123.798 7.831 1.00 24.86 C +ATOM 11167 CG GLN B 895 -3.269 124.369 8.432 1.00 27.26 C +ATOM 11168 CD GLN B 895 -4.219 123.278 8.900 1.00 28.97 C +ATOM 11169 OE1 GLN B 895 -4.482 123.233 10.199 1.00 30.52 O +ATOM 11170 NE2 GLN B 895 -4.701 122.480 8.104 1.00 30.09 N +ATOM 11171 H GLN B 895 -0.565 124.755 9.719 1.00 22.96 H +ATOM 11172 HA GLN B 895 -1.870 122.192 9.272 1.00 23.87 H +ATOM 11173 HB3 GLN B 895 -2.248 123.209 6.948 1.00 24.86 H +ATOM 11174 HB2 GLN B 895 -1.365 124.613 7.480 1.00 24.86 H +ATOM 11175 HG3 GLN B 895 -3.771 124.994 7.693 1.00 27.26 H +ATOM 11176 HG2 GLN B 895 -3.014 125.013 9.274 1.00 27.26 H +ATOM 11177 HE22 GLN B 895 -5.331 121.760 8.429 1.00 30.09 H +ATOM 11178 HE21 GLN B 895 -4.469 122.543 7.123 1.00 30.09 H +ATOM 11179 N PRO B 896 -0.276 120.993 7.647 1.00 22.65 N +ATOM 11180 CA PRO B 896 0.787 120.259 6.952 1.00 22.62 C +ATOM 11181 C PRO B 896 1.170 120.874 5.604 1.00 21.97 C +ATOM 11182 O PRO B 896 0.394 121.618 4.998 1.00 21.30 O +ATOM 11183 CB PRO B 896 0.196 118.860 6.803 1.00 22.77 C +ATOM 11184 CG PRO B 896 -1.292 119.131 6.703 1.00 23.80 C +ATOM 11185 CD PRO B 896 -1.497 120.176 7.772 1.00 23.44 C +ATOM 11186 HA PRO B 896 1.669 120.211 7.590 1.00 22.62 H +ATOM 11187 HB3 PRO B 896 0.397 118.287 7.708 1.00 22.77 H +ATOM 11188 HB2 PRO B 896 0.545 118.419 5.869 1.00 22.77 H +ATOM 11189 HG3 PRO B 896 -1.840 118.228 6.974 1.00 23.80 H +ATOM 11190 HG2 PRO B 896 -1.512 119.566 5.728 1.00 23.80 H +ATOM 11191 HD2 PRO B 896 -2.364 120.785 7.516 1.00 23.44 H +ATOM 11192 HD3 PRO B 896 -1.507 119.692 8.749 1.00 23.44 H +ATOM 11193 N THR B 897 2.378 120.579 5.145 1.00 21.06 N +ATOM 11194 CA THR B 897 2.816 121.097 3.867 1.00 21.46 C +ATOM 11195 C THR B 897 3.352 119.938 3.031 1.00 21.52 C +ATOM 11196 O THR B 897 3.888 118.969 3.575 1.00 21.92 O +ATOM 11197 CB THR B 897 3.906 122.181 4.045 1.00 21.29 C +ATOM 11198 OG1 THR B 897 4.107 122.854 2.797 1.00 21.50 O +ATOM 11199 CG2 THR B 897 5.225 121.556 4.504 1.00 20.68 C +ATOM 11200 H THR B 897 2.995 119.992 5.688 1.00 21.06 H +ATOM 11201 HA THR B 897 1.961 121.537 3.353 1.00 21.46 H +ATOM 11202 HB THR B 897 3.573 122.903 4.790 1.00 21.29 H +ATOM 11203 HG1 THR B 897 4.963 123.289 2.802 1.00 21.50 H +ATOM 11204 HG21 THR B 897 5.976 122.338 4.622 1.00 20.68 H +ATOM 11205 HG22 THR B 897 5.075 121.050 5.458 1.00 20.68 H +ATOM 11206 HG23 THR B 897 5.565 120.836 3.760 1.00 20.68 H +ATOM 11207 N HIS B 898 3.181 120.027 1.715 1.00 21.35 N +ATOM 11208 CA HIS B 898 3.649 118.985 0.813 1.00 20.76 C +ATOM 11209 C HIS B 898 5.152 119.204 0.628 1.00 20.88 C +ATOM 11210 O HIS B 898 5.583 120.296 0.268 1.00 20.04 O +ATOM 11211 CB HIS B 898 2.912 119.081 -0.522 1.00 21.25 C +ATOM 11212 CG HIS B 898 3.106 117.891 -1.406 1.00 21.93 C +ATOM 11213 ND1 HIS B 898 4.305 117.610 -2.027 1.00 22.13 N +ATOM 11214 CD2 HIS B 898 2.259 116.892 -1.750 1.00 21.75 C +ATOM 11215 CE1 HIS B 898 4.188 116.488 -2.715 1.00 21.74 C +ATOM 11216 NE2 HIS B 898 2.957 116.032 -2.563 1.00 22.00 N +ATOM 11217 H HIS B 898 2.717 120.831 1.319 1.00 21.35 H +ATOM 11218 HA HIS B 898 3.473 118.006 1.259 1.00 20.76 H +ATOM 11219 HB3 HIS B 898 3.235 119.979 -1.049 1.00 21.25 H +ATOM 11220 HB2 HIS B 898 1.847 119.225 -0.338 1.00 21.25 H +ATOM 11221 HD2 HIS B 898 1.244 116.894 -1.381 1.00 21.75 H +ATOM 11222 HE1 HIS B 898 5.031 116.105 -3.271 1.00 21.74 H +ATOM 11223 HE2 HIS B 898 2.505 115.209 -2.934 1.00 22.00 H +ATOM 11224 N PRO B 899 5.964 118.159 0.875 1.00 21.14 N +ATOM 11225 CA PRO B 899 7.425 118.229 0.754 1.00 21.28 C +ATOM 11226 C PRO B 899 7.994 118.569 -0.623 1.00 21.03 C +ATOM 11227 O PRO B 899 9.095 119.105 -0.719 1.00 21.19 O +ATOM 11228 CB PRO B 899 7.880 116.856 1.264 1.00 21.32 C +ATOM 11229 CG PRO B 899 6.736 115.960 0.887 1.00 21.00 C +ATOM 11230 CD PRO B 899 5.530 116.794 1.237 1.00 20.82 C +ATOM 11231 HA PRO B 899 7.782 118.981 1.457 1.00 21.28 H +ATOM 11232 HB3 PRO B 899 7.969 116.888 2.350 1.00 21.32 H +ATOM 11233 HB2 PRO B 899 8.773 116.548 0.720 1.00 21.32 H +ATOM 11234 HG3 PRO B 899 6.753 115.071 1.517 1.00 21.00 H +ATOM 11235 HG2 PRO B 899 6.754 115.788 -0.189 1.00 21.00 H +ATOM 11236 HD2 PRO B 899 4.694 116.502 0.601 1.00 20.82 H +ATOM 11237 HD3 PRO B 899 5.359 116.745 2.312 1.00 20.82 H +ATOM 11238 N VAL B 900 7.254 118.265 -1.682 1.00 20.37 N +ATOM 11239 CA VAL B 900 7.730 118.567 -3.024 1.00 20.25 C +ATOM 11240 C VAL B 900 7.434 120.007 -3.451 1.00 20.67 C +ATOM 11241 O VAL B 900 8.344 120.737 -3.850 1.00 19.80 O +ATOM 11242 CB VAL B 900 7.104 117.617 -4.083 1.00 20.11 C +ATOM 11243 CG1 VAL B 900 7.467 118.091 -5.480 1.00 19.37 C +ATOM 11244 CG2 VAL B 900 7.601 116.186 -3.875 1.00 19.35 C +ATOM 11245 H VAL B 900 6.355 117.822 -1.559 1.00 20.37 H +ATOM 11246 HA VAL B 900 8.811 118.425 -3.039 1.00 20.25 H +ATOM 11247 HB VAL B 900 6.019 117.633 -3.975 1.00 20.11 H +ATOM 11248 HG11 VAL B 900 7.025 117.422 -6.218 1.00 19.37 H +ATOM 11249 HG12 VAL B 900 7.085 119.101 -5.632 1.00 19.37 H +ATOM 11250 HG13 VAL B 900 8.551 118.092 -5.594 1.00 19.37 H +ATOM 11251 HG21 VAL B 900 7.154 115.533 -4.625 1.00 19.35 H +ATOM 11252 HG22 VAL B 900 8.686 116.160 -3.973 1.00 19.35 H +ATOM 11253 HG23 VAL B 900 7.318 115.843 -2.880 1.00 19.35 H +ATOM 11254 N TYR B 901 6.169 120.414 -3.350 1.00 20.27 N +ATOM 11255 CA TYR B 901 5.743 121.745 -3.780 1.00 20.28 C +ATOM 11256 C TYR B 901 5.765 122.844 -2.721 1.00 20.23 C +ATOM 11257 O TYR B 901 5.838 124.029 -3.039 1.00 19.81 O +ATOM 11258 CB TYR B 901 4.327 121.660 -4.369 1.00 20.98 C +ATOM 11259 CG TYR B 901 4.178 120.600 -5.439 1.00 21.70 C +ATOM 11260 CD1 TYR B 901 3.733 119.320 -5.119 1.00 21.19 C +ATOM 11261 CD2 TYR B 901 4.550 120.860 -6.762 1.00 22.13 C +ATOM 11262 CE1 TYR B 901 3.665 118.318 -6.077 1.00 21.79 C +ATOM 11263 CE2 TYR B 901 4.487 119.863 -7.735 1.00 22.71 C +ATOM 11264 CZ TYR B 901 4.046 118.588 -7.382 1.00 22.93 C +ATOM 11265 OH TYR B 901 4.023 117.577 -8.318 1.00 22.41 O +ATOM 11266 H TYR B 901 5.469 119.795 -2.966 1.00 20.27 H +ATOM 11267 HA TYR B 901 6.411 122.055 -4.584 1.00 20.28 H +ATOM 11268 HB3 TYR B 901 4.047 122.630 -4.779 1.00 20.98 H +ATOM 11269 HB2 TYR B 901 3.613 121.467 -3.568 1.00 20.98 H +ATOM 11270 HD1 TYR B 901 3.432 119.090 -4.107 1.00 21.19 H +ATOM 11271 HD2 TYR B 901 4.892 121.845 -7.043 1.00 22.13 H +ATOM 11272 HE1 TYR B 901 3.317 117.333 -5.804 1.00 21.79 H +ATOM 11273 HE2 TYR B 901 4.778 120.082 -8.752 1.00 22.71 H +ATOM 11274 HH TYR B 901 4.184 117.943 -9.190 1.00 22.41 H +ATOM 11275 N ASN B 902 5.700 122.440 -1.463 1.00 20.39 N +ATOM 11276 CA ASN B 902 5.659 123.355 -0.334 1.00 20.37 C +ATOM 11277 C ASN B 902 4.429 124.263 -0.329 1.00 20.86 C +ATOM 11278 O ASN B 902 4.518 125.497 -0.216 1.00 20.80 O +ATOM 11279 CB ASN B 902 6.936 124.193 -0.210 1.00 19.66 C +ATOM 11280 CG ASN B 902 7.065 124.828 1.169 1.00 19.91 C +ATOM 11281 OD1 ASN B 902 6.452 124.357 2.132 1.00 19.49 O +ATOM 11282 ND2 ASN B 902 7.862 125.889 1.275 1.00 19.60 N +ATOM 11283 H ASN B 902 5.677 121.453 -1.250 1.00 20.39 H +ATOM 11284 HA ASN B 902 5.599 122.740 0.565 1.00 20.37 H +ATOM 11285 HB3 ASN B 902 6.932 124.974 -0.971 1.00 19.66 H +ATOM 11286 HB2 ASN B 902 7.804 123.561 -0.402 1.00 19.66 H +ATOM 11287 HD22 ASN B 902 7.980 126.345 2.168 1.00 19.60 H +ATOM 11288 HD21 ASN B 902 8.349 126.238 0.462 1.00 19.60 H +ATOM 11289 N ILE B 903 3.281 123.619 -0.490 1.00 21.14 N +ATOM 11290 CA ILE B 903 1.970 124.251 -0.398 1.00 20.95 C +ATOM 11291 C ILE B 903 1.184 123.107 0.240 1.00 20.89 C +ATOM 11292 O ILE B 903 1.628 121.958 0.189 1.00 19.80 O +ATOM 11293 CB ILE B 903 1.334 124.633 -1.772 1.00 20.46 C +ATOM 11294 CG1 ILE B 903 1.069 123.384 -2.610 1.00 20.86 C +ATOM 11295 CG2 ILE B 903 2.220 125.638 -2.507 1.00 20.03 C +ATOM 11296 CD1 ILE B 903 0.229 123.675 -3.855 1.00 21.65 C +ATOM 11297 H ILE B 903 3.281 122.629 -0.690 1.00 21.14 H +ATOM 11298 HA ILE B 903 2.003 125.115 0.266 1.00 20.95 H +ATOM 11299 HB ILE B 903 0.376 125.113 -1.575 1.00 20.46 H +ATOM 11300 HG13 ILE B 903 0.563 122.638 -1.997 1.00 20.86 H +ATOM 11301 HG12 ILE B 903 2.019 122.941 -2.909 1.00 20.86 H +ATOM 11302 HG21 ILE B 903 1.763 125.895 -3.463 1.00 20.03 H +ATOM 11303 HG22 ILE B 903 2.327 126.539 -1.903 1.00 20.03 H +ATOM 11304 HG23 ILE B 903 3.202 125.199 -2.680 1.00 20.03 H +ATOM 11305 HD11 ILE B 903 0.072 122.751 -4.412 1.00 21.65 H +ATOM 11306 HD12 ILE B 903 -0.735 124.086 -3.556 1.00 21.65 H +ATOM 11307 HD13 ILE B 903 0.751 124.395 -4.486 1.00 21.65 H +ATOM 11308 N GLY B 904 0.041 123.408 0.847 1.00 21.49 N +ATOM 11309 CA GLY B 904 -0.743 122.365 1.485 1.00 22.66 C +ATOM 11310 C GLY B 904 -0.995 121.150 0.611 1.00 23.38 C +ATOM 11311 O GLY B 904 -1.218 121.296 -0.590 1.00 24.09 O +ATOM 11312 H GLY B 904 -0.285 124.364 0.866 1.00 21.49 H +ATOM 11313 HA3 GLY B 904 -1.697 122.780 1.812 1.00 22.66 H +ATOM 11314 HA2 GLY B 904 -0.248 122.052 2.404 1.00 22.66 H +ATOM 11315 N PRO B 905 -0.959 119.933 1.181 1.00 24.10 N +ATOM 11316 CA PRO B 905 -1.189 118.688 0.437 1.00 24.39 C +ATOM 11317 C PRO B 905 -2.575 118.718 -0.203 1.00 24.83 C +ATOM 11318 O PRO B 905 -2.772 118.227 -1.315 1.00 24.36 O +ATOM 11319 CB PRO B 905 -1.082 117.612 1.515 1.00 24.02 C +ATOM 11320 CG PRO B 905 -0.175 118.231 2.527 1.00 25.31 C +ATOM 11321 CD PRO B 905 -0.665 119.647 2.595 1.00 24.44 C +ATOM 11322 HA PRO B 905 -0.419 118.548 -0.322 1.00 24.39 H +ATOM 11323 HB3 PRO B 905 -0.602 116.728 1.095 1.00 24.02 H +ATOM 11324 HB2 PRO B 905 -2.063 117.452 1.962 1.00 24.02 H +ATOM 11325 HG3 PRO B 905 0.847 118.222 2.147 1.00 25.31 H +ATOM 11326 HG2 PRO B 905 -0.331 117.750 3.492 1.00 25.31 H +ATOM 11327 HD2 PRO B 905 -1.592 119.678 3.167 1.00 24.44 H +ATOM 11328 HD3 PRO B 905 0.148 120.292 2.929 1.00 24.44 H +ATOM 11329 N ASP B 906 -3.532 119.294 0.517 1.00 24.89 N +ATOM 11330 CA ASP B 906 -4.895 119.419 0.013 1.00 25.86 C +ATOM 11331 C ASP B 906 -4.878 120.278 -1.249 1.00 25.26 C +ATOM 11332 O ASP B 906 -5.587 119.989 -2.214 1.00 25.01 O +ATOM 11333 CB ASP B 906 -5.802 120.055 1.082 1.00 27.21 C +ATOM 11334 CG ASP B 906 -5.311 121.430 1.534 1.00 30.09 C +ATOM 11335 OD1 ASP B 906 -4.088 121.599 1.752 1.00 31.94 O +ATOM 11336 OD2 ASP B 906 -6.150 122.348 1.689 1.00 31.16 O1- +ATOM 11337 H ASP B 906 -3.323 119.658 1.436 1.00 24.89 H +ATOM 11338 HA ASP B 906 -5.276 118.428 -0.234 1.00 25.86 H +ATOM 11339 HB3 ASP B 906 -5.866 119.391 1.944 1.00 27.21 H +ATOM 11340 HB2 ASP B 906 -6.816 120.143 0.691 1.00 27.21 H +ATOM 11341 N LYS B 907 -4.060 121.328 -1.242 1.00 24.81 N +ATOM 11342 CA LYS B 907 -3.954 122.222 -2.392 1.00 24.94 C +ATOM 11343 C LYS B 907 -3.359 121.499 -3.602 1.00 24.52 C +ATOM 11344 O LYS B 907 -3.778 121.723 -4.738 1.00 23.98 O +ATOM 11345 CB LYS B 907 -3.096 123.446 -2.044 1.00 25.33 C +ATOM 11346 CG LYS B 907 -3.635 124.275 -0.887 1.00 26.81 C +ATOM 11347 CD LYS B 907 -5.036 124.776 -1.185 1.00 28.05 C +ATOM 11348 CE LYS B 907 -5.593 125.606 -0.041 1.00 29.82 C +ATOM 11349 NZ LYS B 907 -6.941 126.153 -0.411 1.00 30.57 N1+ +ATOM 11350 H LYS B 907 -3.494 121.521 -0.428 1.00 24.81 H +ATOM 11351 HA LYS B 907 -4.954 122.567 -2.655 1.00 24.94 H +ATOM 11352 HB3 LYS B 907 -2.994 124.079 -2.925 1.00 25.33 H +ATOM 11353 HB2 LYS B 907 -2.081 123.122 -1.814 1.00 25.33 H +ATOM 11354 HG3 LYS B 907 -2.976 125.125 -0.711 1.00 26.81 H +ATOM 11355 HG2 LYS B 907 -3.652 123.667 0.018 1.00 26.81 H +ATOM 11356 HD3 LYS B 907 -5.693 123.926 -1.370 1.00 28.05 H +ATOM 11357 HD2 LYS B 907 -5.020 125.376 -2.095 1.00 28.05 H +ATOM 11358 HE3 LYS B 907 -4.913 126.430 0.174 1.00 29.82 H +ATOM 11359 HE2 LYS B 907 -5.686 124.982 0.848 1.00 29.82 H +ATOM 11360 HZ1 LYS B 907 -7.444 125.469 -0.958 1.00 30.57 H +ATOM 11361 HZ2 LYS B 907 -7.462 126.363 0.428 1.00 30.57 H +ATOM 11362 HZ3 LYS B 907 -6.825 126.997 -0.954 1.00 30.57 H +ATOM 11363 N VAL B 908 -2.383 120.633 -3.349 1.00 24.36 N +ATOM 11364 CA VAL B 908 -1.743 119.864 -4.415 1.00 24.98 C +ATOM 11365 C VAL B 908 -2.754 118.934 -5.090 1.00 25.83 C +ATOM 11366 O VAL B 908 -2.888 118.922 -6.311 1.00 26.00 O +ATOM 11367 CB VAL B 908 -0.578 119.006 -3.868 1.00 24.35 C +ATOM 11368 CG1 VAL B 908 -0.038 118.109 -4.963 1.00 23.33 C +ATOM 11369 CG2 VAL B 908 0.523 119.906 -3.330 1.00 24.31 C +ATOM 11370 H VAL B 908 -2.066 120.491 -2.400 1.00 24.36 H +ATOM 11371 HA VAL B 908 -1.350 120.557 -5.160 1.00 24.98 H +ATOM 11372 HB VAL B 908 -0.952 118.383 -3.056 1.00 24.35 H +ATOM 11373 HG11 VAL B 908 0.782 117.508 -4.570 1.00 23.33 H +ATOM 11374 HG12 VAL B 908 -0.831 117.452 -5.320 1.00 23.33 H +ATOM 11375 HG13 VAL B 908 0.324 118.721 -5.789 1.00 23.33 H +ATOM 11376 HG21 VAL B 908 1.339 119.293 -2.947 1.00 24.31 H +ATOM 11377 HG22 VAL B 908 0.894 120.545 -4.131 1.00 24.31 H +ATOM 11378 HG23 VAL B 908 0.126 120.525 -2.526 1.00 24.31 H +ATOM 11379 N ILE B 909 -3.464 118.157 -4.283 1.00 26.73 N +ATOM 11380 CA ILE B 909 -4.459 117.224 -4.794 1.00 27.70 C +ATOM 11381 C ILE B 909 -5.555 117.928 -5.591 1.00 27.78 C +ATOM 11382 O ILE B 909 -5.927 117.482 -6.672 1.00 27.63 O +ATOM 11383 CB ILE B 909 -5.112 116.431 -3.641 1.00 28.31 C +ATOM 11384 CG1 ILE B 909 -4.043 115.616 -2.905 1.00 28.79 C +ATOM 11385 CG2 ILE B 909 -6.197 115.502 -4.191 1.00 28.29 C +ATOM 11386 CD1 ILE B 909 -4.573 114.841 -1.711 1.00 29.59 C +ATOM 11387 H ILE B 909 -3.322 118.202 -3.285 1.00 26.73 H +ATOM 11388 HA ILE B 909 -3.957 116.517 -5.455 1.00 27.70 H +ATOM 11389 HB ILE B 909 -5.567 117.133 -2.941 1.00 28.31 H +ATOM 11390 HG13 ILE B 909 -3.243 116.280 -2.578 1.00 28.79 H +ATOM 11391 HG12 ILE B 909 -3.571 114.925 -3.603 1.00 28.79 H +ATOM 11392 HG21 ILE B 909 -6.651 114.947 -3.370 1.00 28.29 H +ATOM 11393 HG22 ILE B 909 -6.961 116.093 -4.696 1.00 28.29 H +ATOM 11394 HG23 ILE B 909 -5.752 114.802 -4.899 1.00 28.29 H +ATOM 11395 HD11 ILE B 909 -3.757 114.290 -1.244 1.00 29.59 H +ATOM 11396 HD12 ILE B 909 -5.003 115.535 -0.989 1.00 29.59 H +ATOM 11397 HD13 ILE B 909 -5.340 114.141 -2.043 1.00 29.59 H +ATOM 11398 N GLN B 910 -6.063 119.033 -5.055 1.00 28.24 N +ATOM 11399 CA GLN B 910 -7.121 119.781 -5.718 1.00 28.77 C +ATOM 11400 C GLN B 910 -6.656 120.365 -7.052 1.00 28.74 C +ATOM 11401 O GLN B 910 -7.381 120.312 -8.045 1.00 28.04 O +ATOM 11402 CB GLN B 910 -7.615 120.901 -4.805 1.00 30.40 C +ATOM 11403 CG GLN B 910 -8.851 121.617 -5.314 1.00 34.21 C +ATOM 11404 CD GLN B 910 -9.346 122.663 -4.336 1.00 36.84 C +ATOM 11405 OE1 GLN B 910 -9.495 122.389 -3.139 1.00 38.68 O +ATOM 11406 NE2 GLN B 910 -9.607 123.868 -4.835 1.00 37.39 N +ATOM 11407 H GLN B 910 -5.715 119.370 -4.169 1.00 28.24 H +ATOM 11408 HA GLN B 910 -7.952 119.103 -5.911 1.00 28.77 H +ATOM 11409 HB3 GLN B 910 -6.814 121.625 -4.656 1.00 30.40 H +ATOM 11410 HB2 GLN B 910 -7.814 120.497 -3.813 1.00 30.40 H +ATOM 11411 HG3 GLN B 910 -9.641 120.889 -5.497 1.00 34.21 H +ATOM 11412 HG2 GLN B 910 -8.628 122.091 -6.270 1.00 34.21 H +ATOM 11413 HE22 GLN B 910 -9.940 124.604 -4.229 1.00 37.39 H +ATOM 11414 HE21 GLN B 910 -9.472 124.047 -5.820 1.00 37.39 H +ATOM 11415 N ALA B 911 -5.445 120.916 -7.075 1.00 27.89 N +ATOM 11416 CA ALA B 911 -4.908 121.499 -8.298 1.00 27.75 C +ATOM 11417 C ALA B 911 -4.640 120.436 -9.360 1.00 27.80 C +ATOM 11418 O ALA B 911 -5.065 120.574 -10.508 1.00 26.89 O +ATOM 11419 CB ALA B 911 -3.631 122.264 -7.996 1.00 27.31 C +ATOM 11420 H ALA B 911 -4.882 120.935 -6.237 1.00 27.89 H +ATOM 11421 HA ALA B 911 -5.642 122.200 -8.694 1.00 27.75 H +ATOM 11422 HB1 ALA B 911 -3.239 122.695 -8.916 1.00 27.31 H +ATOM 11423 HB2 ALA B 911 -3.845 123.061 -7.284 1.00 27.31 H +ATOM 11424 HB3 ALA B 911 -2.892 121.585 -7.569 1.00 27.31 H +ATOM 11425 N THR B 912 -3.938 119.373 -8.981 1.00 28.21 N +ATOM 11426 CA THR B 912 -3.620 118.316 -9.934 1.00 29.57 C +ATOM 11427 C THR B 912 -4.878 117.655 -10.473 1.00 29.73 C +ATOM 11428 O THR B 912 -4.929 117.280 -11.642 1.00 30.10 O +ATOM 11429 CB THR B 912 -2.727 117.229 -9.314 1.00 29.67 C +ATOM 11430 OG1 THR B 912 -3.425 116.598 -8.237 1.00 31.25 O +ATOM 11431 CG2 THR B 912 -1.428 117.837 -8.795 1.00 29.37 C +ATOM 11432 H THR B 912 -3.620 119.292 -8.025 1.00 28.21 H +ATOM 11433 HA THR B 912 -3.083 118.762 -10.771 1.00 29.57 H +ATOM 11434 HB THR B 912 -2.493 116.483 -10.074 1.00 29.67 H +ATOM 11435 HG1 THR B 912 -3.643 117.252 -7.569 1.00 31.25 H +ATOM 11436 HG21 THR B 912 -0.808 117.054 -8.360 1.00 29.37 H +ATOM 11437 HG22 THR B 912 -0.892 118.309 -9.619 1.00 29.37 H +ATOM 11438 HG23 THR B 912 -1.655 118.584 -8.035 1.00 29.37 H +ATOM 11439 N THR B 913 -5.892 117.513 -9.625 1.00 30.15 N +ATOM 11440 CA THR B 913 -7.146 116.902 -10.058 1.00 29.95 C +ATOM 11441 C THR B 913 -7.815 117.796 -11.092 1.00 29.51 C +ATOM 11442 O THR B 913 -8.289 117.328 -12.125 1.00 29.61 O +ATOM 11443 CB THR B 913 -8.125 116.700 -8.880 1.00 30.52 C +ATOM 11444 OG1 THR B 913 -7.581 115.745 -7.959 1.00 30.41 O +ATOM 11445 CG2 THR B 913 -9.468 116.193 -9.389 1.00 30.40 C +ATOM 11446 H THR B 913 -5.800 117.829 -8.670 1.00 30.15 H +ATOM 11447 HA THR B 913 -6.931 115.934 -10.511 1.00 29.95 H +ATOM 11448 HB THR B 913 -8.271 117.651 -8.367 1.00 30.52 H +ATOM 11449 HG1 THR B 913 -6.944 116.179 -7.387 1.00 30.41 H +ATOM 11450 HG21 THR B 913 -10.148 116.056 -8.549 1.00 30.40 H +ATOM 11451 HG22 THR B 913 -9.891 116.920 -10.083 1.00 30.40 H +ATOM 11452 HG23 THR B 913 -9.327 115.242 -9.902 1.00 30.40 H +ATOM 11453 N TYR B 914 -7.847 119.090 -10.804 1.00 29.19 N +ATOM 11454 CA TYR B 914 -8.451 120.055 -11.706 1.00 29.07 C +ATOM 11455 C TYR B 914 -7.774 120.057 -13.080 1.00 28.59 C +ATOM 11456 O TYR B 914 -8.432 119.906 -14.108 1.00 28.29 O +ATOM 11457 CB TYR B 914 -8.364 121.455 -11.104 1.00 29.84 C +ATOM 11458 CG TYR B 914 -9.034 122.509 -11.949 1.00 31.11 C +ATOM 11459 CD1 TYR B 914 -10.418 122.677 -11.919 1.00 31.36 C +ATOM 11460 CD2 TYR B 914 -8.286 123.327 -12.798 1.00 31.13 C +ATOM 11461 CE1 TYR B 914 -11.042 123.637 -12.714 1.00 32.16 C +ATOM 11462 CE2 TYR B 914 -8.896 124.286 -13.596 1.00 31.77 C +ATOM 11463 CZ TYR B 914 -10.274 124.438 -13.549 1.00 32.20 C +ATOM 11464 OH TYR B 914 -10.882 125.393 -14.334 1.00 33.36 O +ATOM 11465 H TYR B 914 -7.445 119.425 -9.941 1.00 29.19 H +ATOM 11466 HA TYR B 914 -9.502 119.798 -11.837 1.00 29.07 H +ATOM 11467 HB3 TYR B 914 -7.317 121.721 -10.956 1.00 29.84 H +ATOM 11468 HB2 TYR B 914 -8.811 121.449 -10.110 1.00 29.84 H +ATOM 11469 HD1 TYR B 914 -11.023 122.058 -11.273 1.00 31.36 H +ATOM 11470 HD2 TYR B 914 -7.212 123.220 -12.842 1.00 31.13 H +ATOM 11471 HE1 TYR B 914 -12.115 123.754 -12.678 1.00 32.16 H +ATOM 11472 HE2 TYR B 914 -8.298 124.907 -14.246 1.00 31.77 H +ATOM 11473 HH TYR B 914 -10.279 126.127 -14.470 1.00 33.36 H +ATOM 11474 N PHE B 915 -6.456 120.221 -13.097 1.00 27.92 N +ATOM 11475 CA PHE B 915 -5.733 120.263 -14.360 1.00 27.86 C +ATOM 11476 C PHE B 915 -5.656 118.940 -15.113 1.00 28.19 C +ATOM 11477 O PHE B 915 -5.502 118.938 -16.331 1.00 27.98 O +ATOM 11478 CB PHE B 915 -4.328 120.829 -14.140 1.00 26.88 C +ATOM 11479 CG PHE B 915 -4.320 122.287 -13.807 1.00 26.06 C +ATOM 11480 CD1 PHE B 915 -3.841 122.733 -12.582 1.00 25.72 C +ATOM 11481 CD2 PHE B 915 -4.821 123.221 -14.710 1.00 25.88 C +ATOM 11482 CE1 PHE B 915 -3.863 124.090 -12.260 1.00 25.76 C +ATOM 11483 CE2 PHE B 915 -4.847 124.581 -14.396 1.00 25.35 C +ATOM 11484 CZ PHE B 915 -4.368 125.017 -13.170 1.00 24.53 C +ATOM 11485 H PHE B 915 -5.948 120.318 -12.230 1.00 27.92 H +ATOM 11486 HA PHE B 915 -6.261 120.965 -15.005 1.00 27.86 H +ATOM 11487 HB3 PHE B 915 -3.726 120.658 -15.033 1.00 26.88 H +ATOM 11488 HB2 PHE B 915 -3.834 120.273 -13.343 1.00 26.88 H +ATOM 11489 HD1 PHE B 915 -3.446 122.027 -11.867 1.00 25.72 H +ATOM 11490 HD2 PHE B 915 -5.196 122.897 -15.670 1.00 25.88 H +ATOM 11491 HE1 PHE B 915 -3.488 124.424 -11.304 1.00 25.76 H +ATOM 11492 HE2 PHE B 915 -5.240 125.293 -15.107 1.00 25.35 H +ATOM 11493 HZ PHE B 915 -4.384 126.067 -12.918 1.00 24.53 H +ATOM 11494 N LEU B 916 -5.759 117.819 -14.409 1.00 28.93 N +ATOM 11495 CA LEU B 916 -5.710 116.524 -15.080 1.00 30.40 C +ATOM 11496 C LEU B 916 -6.947 116.346 -15.952 1.00 31.57 C +ATOM 11497 O LEU B 916 -6.995 115.465 -16.809 1.00 32.04 O +ATOM 11498 CB LEU B 916 -5.622 115.383 -14.064 1.00 30.21 C +ATOM 11499 CG LEU B 916 -4.225 115.068 -13.514 1.00 30.92 C +ATOM 11500 CD1 LEU B 916 -4.336 114.101 -12.345 1.00 30.73 C +ATOM 11501 CD2 LEU B 916 -3.362 114.474 -14.616 1.00 30.12 C +ATOM 11502 H LEU B 916 -5.872 117.862 -13.406 1.00 28.93 H +ATOM 11503 HA LEU B 916 -4.826 116.493 -15.717 1.00 30.40 H +ATOM 11504 HB3 LEU B 916 -6.048 114.479 -14.500 1.00 30.21 H +ATOM 11505 HB2 LEU B 916 -6.297 115.589 -13.233 1.00 30.21 H +ATOM 11506 HG LEU B 916 -3.766 115.993 -13.165 1.00 30.92 H +ATOM 11507 HD11 LEU B 916 -3.341 113.881 -11.959 1.00 30.73 H +ATOM 11508 HD12 LEU B 916 -4.940 114.550 -11.557 1.00 30.73 H +ATOM 11509 HD13 LEU B 916 -4.807 113.177 -12.681 1.00 30.73 H +ATOM 11510 HD21 LEU B 916 -2.370 114.252 -14.221 1.00 30.12 H +ATOM 11511 HD22 LEU B 916 -3.821 113.556 -14.982 1.00 30.12 H +ATOM 11512 HD23 LEU B 916 -3.275 115.188 -15.435 1.00 30.12 H +ATOM 11513 N GLN B 917 -7.949 117.188 -15.728 1.00 32.66 N +ATOM 11514 CA GLN B 917 -9.173 117.128 -16.516 1.00 34.62 C +ATOM 11515 C GLN B 917 -9.025 117.916 -17.810 1.00 34.24 C +ATOM 11516 O GLN B 917 -9.942 117.969 -18.627 1.00 34.40 O +ATOM 11517 CB GLN B 917 -10.349 117.680 -15.722 1.00 36.41 C +ATOM 11518 CG GLN B 917 -10.818 116.765 -14.622 1.00 40.18 C +ATOM 11519 CD GLN B 917 -12.081 117.279 -13.978 1.00 43.18 C +ATOM 11520 OE1 GLN B 917 -13.202 116.618 -14.260 1.00 44.96 O +ATOM 11521 NE2 GLN B 917 -12.059 118.273 -13.247 1.00 44.66 N +ATOM 11522 H GLN B 917 -7.870 117.886 -15.002 1.00 32.66 H +ATOM 11523 HA GLN B 917 -9.378 116.087 -16.764 1.00 34.62 H +ATOM 11524 HB3 GLN B 917 -11.178 117.886 -16.399 1.00 36.41 H +ATOM 11525 HB2 GLN B 917 -10.077 118.646 -15.297 1.00 36.41 H +ATOM 11526 HG3 GLN B 917 -10.037 116.675 -13.867 1.00 40.18 H +ATOM 11527 HG2 GLN B 917 -10.997 115.770 -15.030 1.00 40.18 H +ATOM 11528 HE22 GLN B 917 -12.912 118.606 -12.821 1.00 44.66 H +ATOM 11529 HE21 GLN B 917 -11.188 118.753 -13.073 1.00 44.66 H +ATOM 11530 N LYS B 918 -7.871 118.545 -17.980 1.00 33.85 N +ATOM 11531 CA LYS B 918 -7.595 119.313 -19.182 1.00 33.66 C +ATOM 11532 C LYS B 918 -6.541 118.548 -19.962 1.00 33.28 C +ATOM 11533 O LYS B 918 -5.759 117.791 -19.388 1.00 33.26 O +ATOM 11534 CB LYS B 918 -7.072 120.702 -18.822 1.00 34.02 C +ATOM 11535 CG LYS B 918 -8.033 121.519 -17.994 1.00 35.25 C +ATOM 11536 CD LYS B 918 -7.564 122.954 -17.864 1.00 36.41 C +ATOM 11537 CE LYS B 918 -8.534 123.765 -17.021 1.00 37.81 C +ATOM 11538 NZ LYS B 918 -9.932 123.649 -17.525 1.00 38.80 N1+ +ATOM 11539 H LYS B 918 -7.160 118.497 -17.264 1.00 33.85 H +ATOM 11540 HA LYS B 918 -8.503 119.403 -19.778 1.00 33.66 H +ATOM 11541 HB3 LYS B 918 -6.830 121.245 -19.736 1.00 34.02 H +ATOM 11542 HB2 LYS B 918 -6.127 120.605 -18.288 1.00 34.02 H +ATOM 11543 HG3 LYS B 918 -8.124 121.076 -17.002 1.00 35.25 H +ATOM 11544 HG2 LYS B 918 -9.019 121.500 -18.458 1.00 35.25 H +ATOM 11545 HD3 LYS B 918 -7.484 123.400 -18.855 1.00 36.41 H +ATOM 11546 HD2 LYS B 918 -6.577 122.973 -17.401 1.00 36.41 H +ATOM 11547 HE3 LYS B 918 -8.232 124.812 -17.027 1.00 37.81 H +ATOM 11548 HE2 LYS B 918 -8.491 123.421 -15.988 1.00 37.81 H +ATOM 11549 HZ1 LYS B 918 -10.221 122.682 -17.499 1.00 38.80 H +ATOM 11550 HZ2 LYS B 918 -10.547 124.199 -16.942 1.00 38.80 H +ATOM 11551 HZ3 LYS B 918 -9.977 123.988 -18.475 1.00 38.80 H +ATOM 11552 N PRO B 919 -6.519 118.711 -21.289 1.00 33.23 N +ATOM 11553 CA PRO B 919 -5.512 117.989 -22.067 1.00 32.30 C +ATOM 11554 C PRO B 919 -4.163 118.704 -22.003 1.00 31.66 C +ATOM 11555 O PRO B 919 -4.094 119.885 -21.656 1.00 30.16 O +ATOM 11556 CB PRO B 919 -6.102 118.007 -23.472 1.00 32.69 C +ATOM 11557 CG PRO B 919 -6.724 119.379 -23.525 1.00 33.12 C +ATOM 11558 CD PRO B 919 -7.433 119.460 -22.174 1.00 33.31 C +ATOM 11559 HA PRO B 919 -5.417 116.964 -21.708 1.00 32.30 H +ATOM 11560 HB3 PRO B 919 -6.888 117.255 -23.541 1.00 32.69 H +ATOM 11561 HB2 PRO B 919 -5.293 117.953 -24.201 1.00 32.69 H +ATOM 11562 HG3 PRO B 919 -7.467 119.406 -24.322 1.00 33.12 H +ATOM 11563 HG2 PRO B 919 -5.934 120.130 -23.560 1.00 33.12 H +ATOM 11564 HD2 PRO B 919 -7.473 120.500 -21.851 1.00 33.31 H +ATOM 11565 HD3 PRO B 919 -8.385 118.932 -22.236 1.00 33.31 H +ATOM 11566 N VAL B 920 -3.096 117.977 -22.318 1.00 31.73 N +ATOM 11567 CA VAL B 920 -1.762 118.558 -22.350 1.00 31.97 C +ATOM 11568 C VAL B 920 -1.787 119.396 -23.627 1.00 32.52 C +ATOM 11569 O VAL B 920 -2.104 118.883 -24.694 1.00 32.22 O +ATOM 11570 CB VAL B 920 -0.674 117.466 -22.476 1.00 31.90 C +ATOM 11571 CG1 VAL B 920 0.705 118.105 -22.507 1.00 31.09 C +ATOM 11572 CG2 VAL B 920 -0.779 116.489 -21.321 1.00 31.56 C +ATOM 11573 H VAL B 920 -3.201 116.997 -22.543 1.00 31.73 H +ATOM 11574 HA VAL B 920 -1.588 119.184 -21.475 1.00 31.97 H +ATOM 11575 HB VAL B 920 -0.829 116.924 -23.408 1.00 31.90 H +ATOM 11576 HG11 VAL B 920 1.464 117.328 -22.596 1.00 31.09 H +ATOM 11577 HG12 VAL B 920 0.774 118.779 -23.361 1.00 31.09 H +ATOM 11578 HG13 VAL B 920 0.867 118.667 -21.587 1.00 31.09 H +ATOM 11579 HG21 VAL B 920 -0.008 115.724 -21.420 1.00 31.56 H +ATOM 11580 HG22 VAL B 920 -0.643 117.021 -20.380 1.00 31.56 H +ATOM 11581 HG23 VAL B 920 -1.761 116.016 -21.332 1.00 31.56 H +ATOM 11582 N PRO B 921 -1.463 120.696 -23.532 1.00 33.07 N +ATOM 11583 CA PRO B 921 -1.466 121.590 -24.701 1.00 33.80 C +ATOM 11584 C PRO B 921 -0.898 120.988 -25.991 1.00 34.69 C +ATOM 11585 O PRO B 921 0.313 120.804 -26.125 1.00 33.97 O +ATOM 11586 CB PRO B 921 -0.660 122.789 -24.213 1.00 33.54 C +ATOM 11587 CG PRO B 921 -1.015 122.843 -22.753 1.00 33.41 C +ATOM 11588 CD PRO B 921 -0.925 121.384 -22.347 1.00 32.61 C +ATOM 11589 HA PRO B 921 -2.490 121.913 -24.889 1.00 33.80 H +ATOM 11590 HB3 PRO B 921 -1.025 123.690 -24.705 1.00 33.54 H +ATOM 11591 HB2 PRO B 921 0.403 122.572 -24.316 1.00 33.54 H +ATOM 11592 HG3 PRO B 921 -2.046 123.182 -22.647 1.00 33.41 H +ATOM 11593 HG2 PRO B 921 -0.253 123.412 -22.220 1.00 33.41 H +ATOM 11594 HD2 PRO B 921 0.123 121.111 -22.219 1.00 32.61 H +ATOM 11595 HD3 PRO B 921 -1.586 121.206 -21.498 1.00 32.61 H +ATOM 11596 N GLY B 922 -1.790 120.685 -26.933 1.00 35.90 N +ATOM 11597 CA GLY B 922 -1.380 120.114 -28.206 1.00 38.00 C +ATOM 11598 C GLY B 922 -0.818 118.707 -28.113 1.00 39.74 C +ATOM 11599 O GLY B 922 -0.103 118.275 -29.016 1.00 39.14 O +ATOM 11600 H GLY B 922 -2.773 120.851 -26.770 1.00 35.90 H +ATOM 11601 HA3 GLY B 922 -0.643 120.766 -28.674 1.00 38.00 H +ATOM 11602 HA2 GLY B 922 -2.226 120.120 -28.894 1.00 38.00 H +ATOM 11603 N PHE B 923 -1.168 118.001 -27.035 1.00 42.11 N +ATOM 11604 CA PHE B 923 -0.709 116.634 -26.735 1.00 44.90 C +ATOM 11605 C PHE B 923 0.804 116.561 -26.507 1.00 45.57 C +ATOM 11606 O PHE B 923 1.487 115.714 -27.125 1.00 46.51 O +ATOM 11607 CB PHE B 923 -1.114 115.644 -27.838 1.00 46.47 C +ATOM 11608 CG PHE B 923 -2.434 114.943 -27.591 1.00 48.76 C +ATOM 11609 CD1 PHE B 923 -2.915 114.000 -28.505 1.00 49.26 C +ATOM 11610 CD2 PHE B 923 -3.204 115.228 -26.464 1.00 49.62 C +ATOM 11611 CE1 PHE B 923 -4.145 113.354 -28.303 1.00 49.61 C +ATOM 11612 CE2 PHE B 923 -4.439 114.585 -26.251 1.00 49.79 C +ATOM 11613 CZ PHE B 923 -4.906 113.647 -27.175 1.00 49.71 C +ATOM 11614 H PHE B 923 -1.794 118.401 -26.351 1.00 42.11 H +ATOM 11615 HA PHE B 923 -1.197 116.318 -25.813 1.00 44.90 H +ATOM 11616 HB3 PHE B 923 -0.327 114.900 -27.962 1.00 46.47 H +ATOM 11617 HB2 PHE B 923 -1.155 116.166 -28.794 1.00 46.47 H +ATOM 11618 HD1 PHE B 923 -2.338 113.758 -29.386 1.00 49.26 H +ATOM 11619 HD2 PHE B 923 -2.855 115.951 -25.740 1.00 49.62 H +ATOM 11620 HE1 PHE B 923 -4.499 112.630 -29.022 1.00 49.61 H +ATOM 11621 HE2 PHE B 923 -5.025 114.816 -25.373 1.00 49.79 H +ATOM 11622 HZ PHE B 923 -5.852 113.150 -27.018 1.00 49.71 H +ATOM 11623 N NME B 923A 1.415 117.427 -25.623 1.00 0.00 N +ATOM 11624 CA NME B 923A 2.853 117.355 -25.410 1.00 0.00 C +ATOM 11625 H NME B 923A 0.864 118.110 -25.124 1.00 0.00 H +ATOM 11626 1HA NME B 923A 3.270 116.544 -26.047 1.00 0.00 H +ATOM 11627 2HA NME B 923A 3.323 118.327 -25.682 1.00 0.00 H +ATOM 11628 3HA NME B 923A 3.064 117.138 -24.339 1.00 0.00 H +TER 11629 NME B 923A +HETATM11630 O HOH A1007 34.362 124.971 -5.012 1.00 28.43 O +HETATM11631 H1 HOH A1007 34.847 124.913 -4.140 1.00 28.43 H +HETATM11632 H2 HOH A1007 34.522 125.867 -5.425 1.00 28.43 H +HETATM11633 O HOH A1008 38.687 138.246 -18.719 1.00 28.13 O +HETATM11634 H1 HOH A1008 38.436 137.793 -19.574 1.00 28.13 H +HETATM11635 H2 HOH A1008 37.996 138.051 -18.022 1.00 28.13 H +HETATM11636 O HOH A1011 15.072 159.049 -11.294 1.00 26.99 O +HETATM11637 H1 HOH A1011 14.645 158.278 -10.821 1.00 26.99 H +HETATM11638 H2 HOH A1011 14.484 159.347 -12.046 1.00 26.99 H +HETATM11639 O HOH A1016 44.638 128.974 -10.963 1.00 22.12 O +HETATM11640 H1 HOH A1016 45.283 128.479 -10.382 1.00 22.12 H +HETATM11641 H2 HOH A1016 43.990 129.476 -10.390 1.00 22.12 H +HETATM11642 O HOH A1021 30.696 149.782 -23.622 1.00 35.31 O +HETATM11643 H1 HOH A1021 30.439 149.803 -22.656 1.00 35.31 H +HETATM11644 H2 HOH A1021 31.364 149.054 -23.774 1.00 35.31 H +HETATM11645 O HOH A1022 31.445 151.914 -26.660 1.00 44.29 O +HETATM11646 H1 HOH A1022 32.063 152.277 -25.963 1.00 44.29 H +HETATM11647 H2 HOH A1022 30.506 152.182 -26.445 1.00 44.29 H +HETATM11648 O HOH A1025 46.499 115.764 -8.986 1.00 31.89 O +HETATM11649 H1 HOH A1025 46.109 115.055 -9.574 1.00 31.89 H +HETATM11650 H2 HOH A1025 46.308 116.664 -9.376 1.00 31.89 H +HETATM11651 O HOH A1027 21.865 159.468 -14.857 1.00 26.15 O +HETATM11652 H1 HOH A1027 21.353 158.610 -14.810 1.00 26.15 H +HETATM11653 H2 HOH A1027 22.680 159.402 -14.281 1.00 26.15 H +HETATM11654 O HOH A1028 22.129 138.778 -16.036 1.00 19.06 O +HETATM11655 H1 HOH A1028 22.870 138.870 -15.371 1.00 19.06 H +HETATM11656 H2 HOH A1028 21.572 137.980 -15.806 1.00 19.06 H +HETATM11657 O HOH A1033 31.185 123.788 -12.251 1.00 21.66 O +HETATM11658 H1 HOH A1033 30.724 122.900 -12.225 1.00 21.66 H +HETATM11659 H2 HOH A1033 31.768 123.885 -11.444 1.00 21.66 H +HETATM11660 O HOH A1034 31.670 130.263 7.588 1.00 25.09 O +HETATM11661 H1 HOH A1034 31.578 129.952 8.534 1.00 25.09 H +HETATM11662 H2 HOH A1034 30.766 130.313 7.164 1.00 25.09 H +HETATM11663 O HOH A1035 8.392 151.574 -10.406 1.00 31.40 O +HETATM11664 H1 HOH A1035 8.514 150.617 -10.668 1.00 31.40 H +HETATM11665 H2 HOH A1035 9.235 151.917 -9.991 1.00 31.40 H +HETATM11666 O HOH A1037 -0.688 145.106 -7.470 1.00 34.65 O +HETATM11667 H1 HOH A1037 -1.262 145.362 -8.248 1.00 34.65 H +HETATM11668 H2 HOH A1037 -0.174 144.278 -7.693 1.00 34.65 H +HETATM11669 O HOH A1039 20.205 158.229 -27.762 1.00 37.07 O +HETATM11670 H1 HOH A1039 19.234 158.452 -27.853 1.00 37.07 H +HETATM11671 H2 HOH A1039 20.743 159.072 -27.782 1.00 37.07 H +HETATM11672 O HOH A1040 40.819 132.493 2.667 1.00 22.44 O +HETATM11673 H1 HOH A1040 40.560 133.224 2.037 1.00 22.44 H +HETATM11674 H2 HOH A1040 41.813 132.483 2.778 1.00 22.44 H +HETATM11675 O HOH A1041 46.705 122.911 -10.623 1.00 28.40 O +HETATM11676 H1 HOH A1041 47.338 122.836 -11.393 1.00 28.40 H +HETATM11677 H2 HOH A1041 45.933 122.291 -10.765 1.00 28.40 H +HETATM11678 O HOH A1044 18.270 112.354 14.096 1.00 37.61 O +HETATM11679 H1 HOH A1044 18.838 113.080 14.484 1.00 37.61 H +HETATM11680 H2 HOH A1044 17.757 112.713 13.317 1.00 37.61 H +HETATM11681 O HOH A1046 30.367 126.403 -13.226 1.00 22.17 O +HETATM11682 H1 HOH A1046 30.865 127.151 -12.788 1.00 22.17 H +HETATM11683 H2 HOH A1046 30.685 125.529 -12.856 1.00 22.17 H +HETATM11684 O HOH A1047 23.333 107.045 4.752 1.00 27.36 O +HETATM11685 H1 HOH A1047 23.742 107.185 5.653 1.00 27.36 H +HETATM11686 H2 HOH A1047 23.708 107.711 4.107 1.00 27.36 H +HETATM11687 O HOH A1048 19.637 161.626 -20.092 1.00 29.96 O +HETATM11688 H1 HOH A1048 19.743 162.590 -20.335 1.00 29.96 H +HETATM11689 H2 HOH A1048 20.098 161.058 -20.774 1.00 29.96 H +HETATM11690 O HOH A1054 8.467 159.000 -9.838 1.00 38.71 O +HETATM11691 H1 HOH A1054 8.608 159.736 -9.176 1.00 38.71 H +HETATM11692 H2 HOH A1054 9.197 158.323 -9.746 1.00 38.71 H +HETATM11693 O HOH A1057 32.555 98.822 18.325 1.00 34.00 O +HETATM11694 H1 HOH A1057 32.680 97.995 18.874 1.00 34.00 H +HETATM11695 H2 HOH A1057 31.734 98.727 17.762 1.00 34.00 H +HETATM11696 O HOH A1063 43.803 126.858 8.108 1.00 23.52 O +HETATM11697 H1 HOH A1063 44.485 127.392 7.608 1.00 23.52 H +HETATM11698 H2 HOH A1063 43.460 127.394 8.879 1.00 23.52 H +HETATM11699 O HOH A1065 45.041 127.905 -13.425 1.00 31.52 O +HETATM11700 H1 HOH A1065 44.275 127.483 -13.910 1.00 31.52 H +HETATM11701 H2 HOH A1065 44.727 128.248 -12.539 1.00 31.52 H +HETATM11702 O HOH A1069 44.229 133.018 -8.716 1.00 36.71 O +HETATM11703 H1 HOH A1069 44.694 133.448 -7.942 1.00 36.71 H +HETATM11704 H2 HOH A1069 44.838 132.349 -9.142 1.00 36.71 H +HETATM11705 O HOH A1070 41.876 135.158 -3.348 1.00 29.87 O +HETATM11706 H1 HOH A1070 42.838 135.300 -3.579 1.00 29.87 H +HETATM11707 H2 HOH A1070 41.324 135.888 -3.751 1.00 29.87 H +HETATM11708 O HOH A1077 35.255 114.829 20.213 1.00 30.83 O +HETATM11709 H1 HOH A1077 35.200 115.189 21.144 1.00 30.83 H +HETATM11710 H2 HOH A1077 35.799 113.990 20.212 1.00 30.83 H +HETATM11711 O HOH A1084 32.243 102.611 0.873 1.00 31.23 O +HETATM11712 H1 HOH A1084 31.793 102.960 1.695 1.00 31.23 H +HETATM11713 H2 HOH A1084 31.912 103.112 0.074 1.00 31.23 H +HETATM11714 O HOH A1085 42.318 135.004 -0.580 1.00 33.28 O +HETATM11715 H1 HOH A1085 42.637 134.519 0.234 1.00 33.28 H +HETATM11716 H2 HOH A1085 41.656 134.436 -1.070 1.00 33.28 H +HETATM11717 O HOH A1087 41.733 95.919 -0.444 1.00 28.31 O +HETATM11718 H1 HOH A1087 41.603 96.890 -0.240 1.00 28.31 H +HETATM11719 H2 HOH A1087 41.206 95.676 -1.258 1.00 28.31 H +HETATM11720 O HOH A1090 24.787 115.735 18.617 1.00 24.15 O +HETATM11721 H1 HOH A1090 25.445 116.272 19.145 1.00 24.15 H +HETATM11722 H2 HOH A1090 25.169 114.831 18.427 1.00 24.15 H +HETATM11723 O HOH A1096 44.644 100.515 3.008 1.00 31.96 O +HETATM11724 H1 HOH A1096 44.033 100.049 2.368 1.00 31.96 H +HETATM11725 H2 HOH A1096 45.588 100.430 2.689 1.00 31.96 H +HETATM11726 O HOH A1101 11.821 164.466 -19.871 1.00 34.04 O +HETATM11727 H1 HOH A1101 12.680 164.874 -20.179 1.00 34.04 H +HETATM11728 H2 HOH A1101 12.002 163.842 -19.111 1.00 34.04 H +HETATM11729 O HOH A1105 39.903 129.795 2.707 1.00 22.00 O +HETATM11730 H1 HOH A1105 40.783 129.324 2.766 1.00 22.00 H +HETATM11731 H2 HOH A1105 40.054 130.783 2.683 1.00 22.00 H +HETATM11732 O HOH A1107 25.497 152.260 -19.315 1.00 41.89 O +HETATM11733 H1 HOH A1107 24.816 152.921 -19.630 1.00 41.89 H +HETATM11734 H2 HOH A1107 26.217 152.170 -20.002 1.00 41.89 H +HETATM11735 O HOH A1110 8.880 160.660 -13.223 1.00 29.91 O +HETATM11736 H1 HOH A1110 8.377 159.892 -12.826 1.00 29.91 H +HETATM11737 H2 HOH A1110 9.830 160.390 -13.382 1.00 29.91 H +HETATM11738 O HOH A1112 47.815 129.833 -7.931 1.00 38.34 O +HETATM11739 H1 HOH A1112 47.484 128.957 -8.283 1.00 38.34 H +HETATM11740 H2 HOH A1112 48.786 129.935 -8.148 1.00 38.34 H +HETATM11741 O HOH A1113 40.948 131.797 8.467 1.00 29.39 O +HETATM11742 H1 HOH A1113 41.692 131.284 8.040 1.00 29.39 H +HETATM11743 H2 HOH A1113 40.327 132.136 7.760 1.00 29.39 H +HETATM11744 O HOH A1123 31.749 112.834 2.469 1.00 23.35 O +HETATM11745 H1 HOH A1123 31.044 113.516 2.664 1.00 23.35 H +HETATM11746 H2 HOH A1123 32.638 113.286 2.394 1.00 23.35 H +HETATM11747 O HOH A1124 29.777 114.346 7.778 1.00 41.30 O +HETATM11748 H1 HOH A1124 30.024 113.634 8.436 1.00 41.30 H +HETATM11749 H2 HOH A1124 30.549 114.517 7.166 1.00 41.30 H +HETATM11750 O HOH A1131 41.373 119.481 9.039 1.00 32.73 O +HETATM11751 H1 HOH A1131 42.191 119.056 9.428 1.00 32.73 H +HETATM11752 H2 HOH A1131 40.569 118.937 9.278 1.00 32.73 H +HETATM11753 O HOH A1138 28.320 132.021 -11.077 1.00 24.55 O +HETATM11754 H1 HOH A1138 27.363 132.091 -10.794 1.00 24.55 H +HETATM11755 H2 HOH A1138 28.913 132.142 -10.282 1.00 24.55 H +HETATM11756 O HOH A1143 30.404 128.815 -22.464 1.00 43.97 O +HETATM11757 H1 HOH A1143 29.846 129.600 -22.195 1.00 43.97 H +HETATM11758 H2 HOH A1143 31.081 129.104 -23.142 1.00 43.97 H +HETATM11759 O HOH A1149 32.464 117.980 17.239 1.00 37.76 O +HETATM11760 H1 HOH A1149 33.274 117.536 17.622 1.00 37.76 H +HETATM11761 H2 HOH A1149 31.845 117.285 16.873 1.00 37.76 H +HETATM11762 O HOH A1150 32.934 142.188 -2.921 1.00 37.86 O +HETATM11763 H1 HOH A1150 33.736 142.507 -2.417 1.00 37.86 H +HETATM11764 H2 HOH A1150 32.452 142.972 -3.313 1.00 37.86 H +HETATM11765 O HOH A1153 17.918 97.879 16.440 1.00 39.68 O +HETATM11766 H1 HOH A1153 16.977 98.218 16.444 1.00 39.68 H +HETATM11767 H2 HOH A1153 18.542 98.632 16.232 1.00 39.68 H +HETATM11768 O HOH A1167 15.731 138.476 -9.790 1.00 25.67 O +HETATM11769 H1 HOH A1167 15.382 138.848 -8.930 1.00 25.67 H +HETATM11770 H2 HOH A1167 16.090 139.219 -10.354 1.00 25.67 H +HETATM11771 O HOH A1171 28.909 132.721 -13.663 1.00 20.76 O +HETATM11772 H1 HOH A1171 28.694 132.468 -12.720 1.00 20.76 H +HETATM11773 H2 HOH A1171 29.065 131.895 -14.204 1.00 20.76 H +HETATM11774 O HOH A1174 25.495 140.910 -2.980 1.00 33.05 O +HETATM11775 H1 HOH A1174 24.523 140.685 -2.906 1.00 33.05 H +HETATM11776 H2 HOH A1174 25.600 141.774 -3.473 1.00 33.05 H +HETATM11777 O HOH A1177 18.247 144.154 -5.719 1.00 27.42 O +HETATM11778 H1 HOH A1177 17.631 144.389 -6.471 1.00 27.42 H +HETATM11779 H2 HOH A1177 17.750 143.619 -5.037 1.00 27.42 H +HETATM11780 O HOH A1180 48.660 124.239 -9.387 1.00 34.11 O +HETATM11781 H1 HOH A1180 48.737 124.396 -10.372 1.00 34.11 H +HETATM11782 H2 HOH A1180 48.284 123.328 -9.223 1.00 34.11 H +HETATM11783 O HOH A1181 18.219 135.491 -13.174 1.00 34.27 O +HETATM11784 H1 HOH A1181 18.886 134.933 -13.668 1.00 34.27 H +HETATM11785 H2 HOH A1181 17.649 135.987 -13.828 1.00 34.27 H +HETATM11786 O HOH A1188 35.572 122.772 12.978 1.00 22.22 O +HETATM11787 H1 HOH A1188 35.145 123.676 12.978 1.00 22.22 H +HETATM11788 H2 HOH A1188 35.470 122.355 13.881 1.00 22.22 H +HETATM11789 O HOH A1193 38.647 135.352 4.575 1.00 34.91 O +HETATM11790 H1 HOH A1193 37.695 135.181 4.321 1.00 34.91 H +HETATM11791 H2 HOH A1193 38.911 136.270 4.279 1.00 34.91 H +HETATM11792 O HOH A1196 38.518 113.492 15.104 1.00 35.37 O +HETATM11793 H1 HOH A1196 38.923 113.001 15.876 1.00 35.37 H +HETATM11794 H2 HOH A1196 38.878 114.424 15.076 1.00 35.37 H +HETATM11795 O HOH A1202 25.727 132.213 -10.305 1.00 35.60 O +HETATM11796 H1 HOH A1202 25.205 132.722 -10.990 1.00 35.60 H +HETATM11797 H2 HOH A1202 25.587 132.624 -9.405 1.00 35.60 H +HETATM11798 O HOH A1205 39.624 117.401 10.137 1.00 30.65 O +HETATM11799 H1 HOH A1205 38.660 117.596 9.956 1.00 30.65 H +HETATM11800 H2 HOH A1205 39.909 117.874 10.971 1.00 30.65 H +HETATM11801 O HOH A1208 37.583 144.763 -16.535 1.00 35.36 O +HETATM11802 H1 HOH A1208 37.703 145.711 -16.832 1.00 35.36 H +HETATM11803 H2 HOH A1208 36.818 144.353 -17.031 1.00 35.36 H +HETATM11804 O HOH A1211 32.765 151.568 -14.819 1.00 40.00 O +HETATM11805 H1 HOH A1211 33.079 150.627 -14.693 1.00 40.00 H +HETATM11806 H2 HOH A1211 32.758 152.038 -13.936 1.00 40.00 H +HETATM11807 O HOH A1228 16.072 101.196 16.057 1.00 22.86 O +HETATM11808 H1 HOH A1228 15.604 100.326 16.210 1.00 22.86 H +HETATM11809 H2 HOH A1228 15.934 101.793 16.847 1.00 22.86 H +HETATM11810 O HOH A1242 42.392 134.725 -15.788 1.00 25.67 O +HETATM11811 H1 HOH A1242 41.790 134.866 -16.574 1.00 25.67 H +HETATM11812 H2 HOH A1242 43.330 134.963 -16.040 1.00 25.67 H +HETATM11813 O HOH A1243 25.581 131.674 -15.768 1.00 26.83 O +HETATM11814 H1 HOH A1243 26.348 131.272 -16.268 1.00 26.83 H +HETATM11815 H2 HOH A1243 24.929 130.956 -15.526 1.00 26.83 H +HETATM11816 O HOH A1244 24.699 150.617 -12.621 1.00 29.56 O +HETATM11817 H1 HOH A1244 23.832 151.036 -12.892 1.00 29.56 H +HETATM11818 H2 HOH A1244 24.948 149.909 -13.281 1.00 29.56 H +HETATM11819 O HOH A1245 29.610 133.112 1.099 1.00 33.25 O +HETATM11820 H1 HOH A1245 30.004 134.026 0.998 1.00 33.25 H +HETATM11821 H2 HOH A1245 30.054 132.485 0.459 1.00 33.25 H +HETATM11822 O HOH A1248 8.412 80.958 8.561 1.00 35.70 O +HETATM11823 H1 HOH A1248 7.443 80.842 8.342 1.00 35.70 H +HETATM11824 H2 HOH A1248 8.710 81.871 8.280 1.00 35.70 H +HETATM11825 O HOH A1250 37.381 131.341 5.116 1.00 26.53 O +HETATM11826 H1 HOH A1250 37.571 130.753 5.902 1.00 26.53 H +HETATM11827 H2 HOH A1250 36.479 131.759 5.223 1.00 26.53 H +HETATM11828 O HOH A1251 35.993 134.878 3.863 1.00 28.24 O +HETATM11829 H1 HOH A1251 35.659 134.038 4.292 1.00 28.24 H +HETATM11830 H2 HOH A1251 35.436 135.651 4.166 1.00 28.24 H +HETATM11831 O HOH A1254 46.625 104.672 -3.626 1.00 30.19 O +HETATM11832 H1 HOH A1254 47.213 105.304 -4.130 1.00 30.19 H +HETATM11833 H2 HOH A1254 45.936 104.293 -4.243 1.00 30.19 H +HETATM11834 O HOH A1257 26.154 113.928 20.945 1.00 22.37 O +HETATM11835 H1 HOH A1257 26.287 114.817 21.382 1.00 22.37 H +HETATM11836 H2 HOH A1257 26.401 113.201 21.585 1.00 22.37 H +HETATM11837 O HOH A1258 8.800 147.294 -15.006 1.00 25.58 O +HETATM11838 H1 HOH A1258 8.180 146.741 -14.449 1.00 25.58 H +HETATM11839 H2 HOH A1258 8.580 147.171 -15.973 1.00 25.58 H +HETATM11840 O HOH A1265 44.996 135.484 -9.978 1.00 45.92 O +HETATM11841 H1 HOH A1265 45.802 135.830 -9.498 1.00 45.92 H +HETATM11842 H2 HOH A1265 44.737 134.597 -9.596 1.00 45.92 H +HETATM11843 O HOH A1276 47.227 120.309 -10.849 1.00 31.97 O +HETATM11844 H1 HOH A1276 47.373 120.311 -11.838 1.00 31.97 H +HETATM11845 H2 HOH A1276 48.111 120.333 -10.382 1.00 31.97 H +HETATM11846 O HOH A1286 46.364 132.985 -2.518 1.00 53.91 O +HETATM11847 H1 HOH A1286 45.844 133.501 -1.837 1.00 53.91 H +HETATM11848 H2 HOH A1286 46.063 132.032 -2.516 1.00 53.91 H +HETATM11849 O HOH A1310 20.023 137.979 -7.873 1.00 22.48 O +HETATM11850 H1 HOH A1310 19.936 138.389 -8.781 1.00 22.48 H +HETATM11851 H2 HOH A1310 19.275 137.333 -7.725 1.00 22.48 H +HETATM11852 O HOH A1313 19.974 139.273 -5.479 1.00 31.78 O +HETATM11853 H1 HOH A1313 20.170 140.246 -5.605 1.00 31.78 H +HETATM11854 H2 HOH A1313 19.995 138.811 -6.365 1.00 31.78 H +HETATM11855 O HOH A1318 18.685 100.723 15.782 1.00 24.60 O +HETATM11856 H1 HOH A1318 18.638 101.202 14.906 1.00 24.60 H +HETATM11857 H2 HOH A1318 19.469 101.059 16.305 1.00 24.60 H +HETATM11858 O HOH A1324 20.943 90.832 11.798 1.00 33.25 O +HETATM11859 H1 HOH A1324 20.488 91.296 11.038 1.00 33.25 H +HETATM11860 H2 HOH A1324 20.310 90.753 12.568 1.00 33.25 H +HETATM11861 O HOH A1325 25.977 97.257 4.921 1.00 34.04 O +HETATM11862 H1 HOH A1325 25.847 97.066 3.947 1.00 34.04 H +HETATM11863 H2 HOH A1325 26.953 97.352 5.115 1.00 34.04 H +HETATM11864 O HOH A1329 29.737 107.481 0.983 1.00 30.23 O +HETATM11865 H1 HOH A1329 29.865 106.828 1.730 1.00 30.23 H +HETATM11866 H2 HOH A1329 29.046 108.155 1.243 1.00 30.23 H +HETATM11867 O HOH A1333 44.962 138.842 -14.397 1.00 44.75 O +HETATM11868 H1 HOH A1333 45.311 139.255 -13.556 1.00 44.75 H +HETATM11869 H2 HOH A1333 44.415 139.515 -14.896 1.00 44.75 H +HETATM11870 O HOH A1335 35.096 132.631 5.014 1.00 25.07 O +HETATM11871 H1 HOH A1335 34.518 132.587 5.829 1.00 25.07 H +HETATM11872 H2 HOH A1335 34.602 132.247 4.234 1.00 25.07 H +HETATM11873 O HOH A1336 32.068 98.503 -2.045 1.00 47.02 O +HETATM11874 H1 HOH A1336 31.875 98.798 -1.109 1.00 47.02 H +HETATM11875 H2 HOH A1336 31.859 99.247 -2.679 1.00 47.02 H +HETATM11876 O HOH A1337 22.221 166.226 -14.773 1.00 47.80 O +HETATM11877 H1 HOH A1337 22.209 166.328 -13.779 1.00 47.80 H +HETATM11878 H2 HOH A1337 23.085 165.810 -15.056 1.00 47.80 H +HETATM11879 O HOH A1341 27.533 100.730 22.371 1.00 42.04 O +HETATM11880 H1 HOH A1341 27.581 100.970 21.401 1.00 42.04 H +HETATM11881 H2 HOH A1341 28.457 100.587 22.726 1.00 42.04 H +HETATM11882 O HOH A1342 26.156 82.412 15.477 1.00 47.16 O +HETATM11883 H1 HOH A1342 26.792 83.045 16.114 1.00 47.16 H +HETATM11884 H2 HOH A1342 25.519 81.778 16.111 1.00 47.16 H +HETATM11885 O HOH A1347 25.555 132.220 -21.276 1.00 37.80 O +HETATM11886 H1 HOH A1347 26.419 132.416 -21.739 1.00 37.80 H +HETATM11887 H2 HOH A1347 24.848 132.842 -21.613 1.00 37.80 H +HETATM11888 O HOH A1352 13.265 159.670 -4.733 1.00 37.81 O +HETATM11889 H1 HOH A1352 13.649 160.583 -4.875 1.00 37.81 H +HETATM11890 H2 HOH A1352 13.287 159.447 -3.758 1.00 37.81 H +HETATM11891 O HOH A1354 39.533 132.895 5.016 1.00 27.90 O +HETATM11892 H1 HOH A1354 38.724 132.309 5.054 1.00 27.90 H +HETATM11893 H2 HOH A1354 39.253 133.840 4.850 1.00 27.90 H +HETATM11894 O HOH A1357 37.949 142.371 -14.378 1.00 28.85 O +HETATM11895 H1 HOH A1357 37.105 142.893 -14.255 1.00 28.85 H +HETATM11896 H2 HOH A1357 38.576 142.568 -13.625 1.00 28.85 H +HETATM11897 O HOH A1359 11.373 146.067 -15.105 1.00 31.82 O +HETATM11898 H1 HOH A1359 10.471 146.497 -15.069 1.00 31.82 H +HETATM11899 H2 HOH A1359 11.521 145.680 -16.015 1.00 31.82 H +HETATM11900 O HOH A1360 22.784 134.452 -3.949 1.00 27.13 O +HETATM11901 H1 HOH A1360 22.725 135.355 -4.374 1.00 27.13 H +HETATM11902 H2 HOH A1360 22.123 134.393 -3.201 1.00 27.13 H +HETATM11903 O HOH A1367 31.774 120.906 12.641 1.00 27.26 O +HETATM11904 H1 HOH A1367 32.366 120.618 13.394 1.00 27.26 H +HETATM11905 H2 HOH A1367 32.336 121.222 11.876 1.00 27.26 H +HETATM11906 O HOH A1369 20.724 147.183 -6.802 1.00 27.20 O +HETATM11907 H1 HOH A1369 20.736 148.162 -7.008 1.00 27.20 H +HETATM11908 H2 HOH A1369 20.144 147.017 -6.005 1.00 27.20 H +HETATM11909 O HOH A1371 4.585 153.643 -12.222 1.00 29.41 O +HETATM11910 H1 HOH A1371 3.847 154.286 -12.019 1.00 29.41 H +HETATM11911 H2 HOH A1371 5.381 154.145 -12.560 1.00 29.41 H +HETATM11912 O HOH A1372 31.026 116.797 18.896 1.00 30.64 O +HETATM11913 H1 HOH A1372 31.129 117.603 19.479 1.00 30.64 H +HETATM11914 H2 HOH A1372 30.058 116.655 18.690 1.00 30.64 H +HETATM11915 O HOH A1374 8.838 167.472 -12.663 1.00 43.64 O +HETATM11916 H1 HOH A1374 9.687 167.542 -13.186 1.00 43.64 H +HETATM11917 H2 HOH A1374 8.410 168.374 -12.601 1.00 43.64 H +HETATM11918 O HOH A1379 20.814 137.943 -23.040 1.00 33.53 O +HETATM11919 H1 HOH A1379 20.509 137.508 -23.887 1.00 33.53 H +HETATM11920 H2 HOH A1379 21.675 137.528 -22.745 1.00 33.53 H +HETATM11921 O HOH A1383 45.952 131.287 -9.731 1.00 35.80 O +HETATM11922 H1 HOH A1383 46.579 130.799 -9.123 1.00 35.80 H +HETATM11923 H2 HOH A1383 46.052 130.940 -10.663 1.00 35.80 H +HETATM11924 O HOH A1386 39.146 105.663 -4.202 1.00 43.12 O +HETATM11925 H1 HOH A1386 39.743 105.948 -4.951 1.00 43.12 H +HETATM11926 H2 HOH A1386 39.092 106.394 -3.522 1.00 43.12 H +HETATM11927 O HOH A1393 29.231 130.256 -14.666 1.00 28.23 O +HETATM11928 H1 HOH A1393 28.765 129.397 -14.452 1.00 28.23 H +HETATM11929 H2 HOH A1393 30.191 130.192 -14.393 1.00 28.23 H +HETATM11930 O HOH A1398 48.860 119.945 -2.951 1.00 40.37 O +HETATM11931 H1 HOH A1398 48.772 120.940 -3.000 1.00 40.37 H +HETATM11932 H2 HOH A1398 49.787 119.706 -2.661 1.00 40.37 H +HETATM11933 O HOH A1404 38.998 100.254 5.585 1.00 31.50 O +HETATM11934 H1 HOH A1404 39.939 100.336 5.255 1.00 31.50 H +HETATM11935 H2 HOH A1404 38.364 100.454 4.837 1.00 31.50 H +HETATM11936 O HOH A1405 43.370 136.664 -14.230 1.00 28.77 O +HETATM11937 H1 HOH A1405 43.960 137.469 -14.290 1.00 28.77 H +HETATM11938 H2 HOH A1405 42.650 136.724 -14.922 1.00 28.77 H +HETATM11939 O HOH A1412 33.113 110.812 9.443 1.00 27.40 O +HETATM11940 H1 HOH A1412 33.501 110.502 10.311 1.00 27.40 H +HETATM11941 H2 HOH A1412 32.378 110.193 9.165 1.00 27.40 H +HETATM11942 O HOH A1414 34.954 108.158 -4.578 1.00 29.55 O +HETATM11943 H1 HOH A1414 34.290 108.138 -5.326 1.00 29.55 H +HETATM11944 H2 HOH A1414 34.854 109.012 -4.067 1.00 29.55 H +HETATM11945 O HOH A1423 24.581 91.248 15.813 1.00 35.92 O +HETATM11946 H1 HOH A1423 23.692 91.022 15.414 1.00 35.92 H +HETATM11947 H2 HOH A1423 25.258 90.572 15.522 1.00 35.92 H +HETATM11948 O HOH A1428 5.885 156.018 -24.186 1.00 41.96 O +HETATM11949 H1 HOH A1428 6.241 156.521 -23.399 1.00 41.96 H +HETATM11950 H2 HOH A1428 6.466 155.224 -24.366 1.00 41.96 H +HETATM11951 O HOH A1439 33.411 120.115 14.715 1.00 28.68 O +HETATM11952 H1 HOH A1439 34.188 119.892 14.126 1.00 28.68 H +HETATM11953 H2 HOH A1439 33.717 120.171 15.665 1.00 28.68 H +HETATM11954 O HOH A1443 19.674 89.887 7.700 1.00 37.41 O +HETATM11955 H1 HOH A1443 19.659 90.655 8.340 1.00 37.41 H +HETATM11956 H2 HOH A1443 18.849 89.906 7.135 1.00 37.41 H +HETATM11957 O HOH A1445 9.393 162.791 -21.223 1.00 49.09 O +HETATM11958 H1 HOH A1445 9.148 162.027 -21.820 1.00 49.09 H +HETATM11959 H2 HOH A1445 10.264 163.180 -21.521 1.00 49.09 H +HETATM11960 O HOH A1450 19.998 158.383 -20.792 1.00 35.81 O +HETATM11961 H1 HOH A1450 20.223 158.008 -21.691 1.00 35.81 H +HETATM11962 H2 HOH A1450 19.852 157.634 -20.146 1.00 35.81 H +HETATM11963 O HOH A1453 34.960 99.221 16.542 1.00 37.45 O +HETATM11964 H1 HOH A1453 34.163 99.088 17.131 1.00 37.45 H +HETATM11965 H2 HOH A1453 35.525 99.962 16.906 1.00 37.45 H +HETATM11966 O HOH A1455 12.359 163.740 -6.343 1.00 35.64 O +HETATM11967 H1 HOH A1455 13.060 163.178 -5.903 1.00 35.64 H +HETATM11968 H2 HOH A1455 11.670 163.147 -6.761 1.00 35.64 H +HETATM11969 O HOH A1461 45.495 134.181 -6.616 1.00 43.30 O +HETATM11970 H1 HOH A1461 45.203 134.629 -5.771 1.00 43.30 H +HETATM11971 H2 HOH A1461 46.487 134.059 -6.604 1.00 43.30 H +HETATM11972 O HOH A1462 27.467 112.007 11.771 1.00 46.34 O +HETATM11973 H1 HOH A1462 26.590 111.873 12.232 1.00 46.34 H +HETATM11974 H2 HOH A1462 27.644 112.986 11.670 1.00 46.34 H +HETATM11975 O HOH A1463 21.050 101.933 17.027 1.00 42.12 O +HETATM11976 H1 HOH A1463 21.431 102.627 16.416 1.00 42.12 H +HETATM11977 H2 HOH A1463 21.737 101.226 17.196 1.00 42.12 H +HETATM11978 O HOH A1474 43.570 108.934 -12.508 1.00 38.60 O +HETATM11979 H1 HOH A1474 43.804 109.877 -12.747 1.00 38.60 H +HETATM11980 H2 HOH A1474 42.909 108.577 -13.168 1.00 38.60 H +HETATM11981 O HOH A1475 50.962 115.417 3.601 1.00 51.04 O +HETATM11982 H1 HOH A1475 50.812 115.040 2.688 1.00 51.04 H +HETATM11983 H2 HOH A1475 50.287 115.038 4.234 1.00 51.04 H +HETATM11984 O HOH A1476 23.580 103.739 4.505 1.00 41.32 O +HETATM11985 H1 HOH A1476 23.504 104.734 4.580 1.00 41.32 H +HETATM11986 H2 HOH A1476 24.380 103.506 3.951 1.00 41.32 H +HETATM11987 O HOH A1485 37.747 96.078 14.114 1.00 50.79 O +HETATM11988 H1 HOH A1485 37.143 96.868 14.011 1.00 50.79 H +HETATM11989 H2 HOH A1485 38.683 96.340 13.878 1.00 50.79 H +HETATM11990 O HOH A1496 52.138 109.303 -3.591 1.00 36.14 O +HETATM11991 H1 HOH A1496 51.268 109.419 -4.070 1.00 36.14 H +HETATM11992 H2 HOH A1496 52.442 108.354 -3.675 1.00 36.14 H +HETATM11993 O HOH A1497 7.313 148.098 -20.969 1.00 47.52 O +HETATM11994 H1 HOH A1497 7.720 148.979 -21.210 1.00 47.52 H +HETATM11995 H2 HOH A1497 6.334 148.216 -20.804 1.00 47.52 H +HETATM11996 O HOH A1510 33.548 118.438 -12.610 1.00 41.36 O +HETATM11997 H1 HOH A1510 33.651 118.242 -11.634 1.00 41.36 H +HETATM11998 H2 HOH A1510 33.100 119.325 -12.727 1.00 41.36 H +HETATM11999 O HOH A1517 30.110 105.800 -3.945 1.00 55.42 O +HETATM12000 H1 HOH A1517 30.639 106.283 -4.643 1.00 55.42 H +HETATM12001 H2 HOH A1517 30.724 105.238 -3.390 1.00 55.42 H +HETATM12002 O HOH A1527 38.758 145.734 -19.550 1.00 39.58 O +HETATM12003 H1 HOH A1527 37.855 146.063 -19.827 1.00 39.58 H +HETATM12004 H2 HOH A1527 39.294 146.497 -19.187 1.00 39.58 H +HETATM12005 O HOH A1529 21.573 87.652 9.705 1.00 38.43 O +HETATM12006 H1 HOH A1529 22.374 88.238 9.586 1.00 38.43 H +HETATM12007 H2 HOH A1529 21.144 87.487 8.817 1.00 38.43 H +HETATM12008 O HOH A1560 42.477 96.543 8.565 1.00 50.45 O +HETATM12009 H1 HOH A1560 42.721 97.389 8.090 1.00 50.45 H +HETATM12010 H2 HOH A1560 41.710 96.106 8.096 1.00 50.45 H +HETATM12011 O HOH A1565 22.253 90.654 14.766 1.00 45.37 O +HETATM12012 H1 HOH A1565 21.851 90.708 13.852 1.00 45.37 H +HETATM12013 H2 HOH A1565 21.524 90.589 15.448 1.00 45.37 H +HETATM12014 O HOH A1572 39.118 110.244 -10.742 1.00 40.39 O +HETATM12015 H1 HOH A1572 38.742 110.745 -11.521 1.00 40.39 H +HETATM12016 H2 HOH A1572 38.434 109.601 -10.396 1.00 40.39 H +HETATM12017 O HOH A1578 22.745 99.774 17.370 1.00 36.03 O +HETATM12018 H1 HOH A1578 23.738 99.743 17.486 1.00 36.03 H +HETATM12019 H2 HOH A1578 22.314 99.137 18.009 1.00 36.03 H +HETATM12020 O HOH A1588 38.689 97.514 6.050 1.00 30.86 O +HETATM12021 H1 HOH A1588 38.800 98.494 5.885 1.00 30.86 H +HETATM12022 H2 HOH A1588 38.494 97.050 5.186 1.00 30.86 H +HETATM12023 O HOH A1590 14.878 98.978 16.453 1.00 43.10 O +HETATM12024 H1 HOH A1590 14.453 98.773 17.334 1.00 43.10 H +HETATM12025 H2 HOH A1590 14.360 98.535 15.722 1.00 43.10 H +HETATM12026 O HOH A1594 26.384 105.498 7.636 1.00 31.76 O +HETATM12027 H1 HOH A1594 27.358 105.656 7.475 1.00 31.76 H +HETATM12028 H2 HOH A1594 26.216 104.517 7.731 1.00 31.76 H +HETATM12029 O HOH A1598 7.501 158.544 -12.132 1.00 35.15 O +HETATM12030 H1 HOH A1598 7.096 157.839 -12.714 1.00 35.15 H +HETATM12031 H2 HOH A1598 8.167 158.125 -11.514 1.00 35.15 H +HETATM12032 O HOH A1601 36.258 105.998 -4.500 1.00 53.00 O +HETATM12033 H1 HOH A1601 37.246 105.882 -4.398 1.00 53.00 H +HETATM12034 H2 HOH A1601 36.035 106.973 -4.497 1.00 53.00 H +HETATM12035 O HOH A1603 38.906 140.662 -20.307 1.00 40.89 O +HETATM12036 H1 HOH A1603 38.830 139.829 -19.758 1.00 40.89 H +HETATM12037 H2 HOH A1603 39.331 140.444 -21.186 1.00 40.89 H +HETATM12038 O HOH A1605 25.856 133.982 -2.757 1.00 40.05 O +HETATM12039 H1 HOH A1605 25.009 134.235 -2.289 1.00 40.05 H +HETATM12040 H2 HOH A1605 26.465 133.514 -2.117 1.00 40.05 H +HETATM12041 O HOH A1617 47.078 124.162 7.231 1.00 44.99 O +HETATM12042 H1 HOH A1617 46.762 123.243 6.994 1.00 44.99 H +HETATM12043 H2 HOH A1617 46.473 124.840 6.814 1.00 44.99 H +HETATM12044 O HOH A1618 50.428 127.896 0.265 1.00 43.76 O +HETATM12045 H1 HOH A1618 50.341 127.733 -0.718 1.00 43.76 H +HETATM12046 H2 HOH A1618 50.117 128.822 0.478 1.00 43.76 H +HETATM12047 O HOH A1640 47.913 103.706 -10.500 1.00 47.39 O +HETATM12048 H1 HOH A1640 47.568 104.013 -11.387 1.00 47.39 H +HETATM12049 H2 HOH A1640 47.530 102.808 -10.286 1.00 47.39 H +HETATM12050 O HOH A1646 36.330 109.650 -6.760 1.00 56.30 O +HETATM12051 H1 HOH A1646 36.012 110.569 -6.995 1.00 56.30 H +HETATM12052 H2 HOH A1646 36.230 109.504 -5.776 1.00 56.30 H +HETATM12053 O HOH A1665 24.735 88.369 4.934 1.00 51.03 O +HETATM12054 H1 HOH A1665 24.122 89.158 4.964 1.00 51.03 H +HETATM12055 H2 HOH A1665 24.616 87.886 4.067 1.00 51.03 H +HETATM12056 O HOH A1670 46.363 126.778 -16.869 1.00 44.01 O +HETATM12057 H1 HOH A1670 47.247 126.362 -17.084 1.00 44.01 H +HETATM12058 H2 HOH A1670 46.267 127.636 -17.373 1.00 44.01 H +HETATM12059 O HOH A1685 24.348 133.561 -12.108 1.00 23.00 O +HETATM12060 H1 HOH A1685 23.478 133.117 -12.322 1.00 23.00 H +HETATM12061 H2 HOH A1685 24.222 134.553 -12.096 1.00 23.00 H +HETATM12062 O HOH A1693 26.220 132.893 -14.025 1.00 33.70 O +HETATM12063 H1 HOH A1693 27.037 133.456 -13.904 1.00 33.70 H +HETATM12064 H2 HOH A1693 25.837 133.053 -14.935 1.00 33.70 H +HETATM12065 O HOH A1698 23.112 115.657 23.555 1.00 43.46 O +HETATM12066 H1 HOH A1698 24.035 115.786 23.918 1.00 43.46 H +HETATM12067 H2 HOH A1698 22.520 116.397 23.876 1.00 43.46 H +HETATM12068 O HOH A1726 30.119 105.514 3.241 1.00 38.65 O +HETATM12069 H1 HOH A1726 30.058 104.531 3.416 1.00 38.65 H +HETATM12070 H2 HOH A1726 31.041 105.835 3.456 1.00 38.65 H +HETATM12071 O HOH A1763 40.375 132.190 -25.855 1.00 47.82 O +HETATM12072 H1 HOH A1763 39.806 132.999 -25.705 1.00 47.82 H +HETATM12073 H2 HOH A1763 41.041 132.108 -25.114 1.00 47.82 H +HETATM12074 O HOH A1818 5.774 80.647 7.964 1.00 49.11 O +HETATM12075 H1 HOH A1818 5.427 81.482 7.538 1.00 49.11 H +HETATM12076 H2 HOH A1818 5.261 80.464 8.803 1.00 49.11 H +HETATM12077 O HOH A1886 32.390 124.282 -20.227 1.00 48.78 O +HETATM12078 H1 HOH A1886 32.708 124.906 -20.940 1.00 48.78 H +HETATM12079 H2 HOH A1886 32.570 123.338 -20.504 1.00 48.78 H +HETATM12080 O HOH A1896 23.161 88.468 13.248 1.00 36.67 O +HETATM12081 H1 HOH A1896 24.103 88.173 13.409 1.00 36.67 H +HETATM12082 H2 HOH A1896 23.054 88.737 12.291 1.00 36.67 H +HETATM12083 O HOH A1898 17.758 136.603 -8.534 1.00 36.46 O +HETATM12084 H1 HOH A1898 17.477 136.334 -7.613 1.00 36.46 H +HETATM12085 H2 HOH A1898 17.100 137.259 -8.904 1.00 36.46 H +HETATM12086 O HOH A1903 27.901 127.793 -14.052 1.00 26.91 O +HETATM12087 H1 HOH A1903 28.738 127.323 -13.772 1.00 26.91 H +HETATM12088 H2 HOH A1903 27.129 127.159 -13.999 1.00 26.91 H +HETATM12089 O HOH A1905 40.304 136.465 2.829 1.00 41.92 O +HETATM12090 H1 HOH A1905 39.883 137.191 2.287 1.00 41.92 H +HETATM12091 H2 HOH A1905 41.076 136.838 3.344 1.00 41.92 H +HETATM12092 O HOH A1907 30.489 137.783 -1.272 1.00 36.59 O +HETATM12093 H1 HOH A1907 30.088 138.502 -0.705 1.00 36.59 H +HETATM12094 H2 HOH A1907 30.667 136.975 -0.710 1.00 36.59 H +HETATM12095 O HOH A1912 29.938 150.517 -34.030 1.00 61.48 O +HETATM12096 H1 HOH A1912 29.375 149.854 -34.524 1.00 61.48 H +HETATM12097 H2 HOH A1912 30.063 150.211 -33.086 1.00 61.48 H +HETATM12098 O HOH A1913 28.449 126.072 -17.650 1.00 39.12 O +HETATM12099 H1 HOH A1913 29.117 125.724 -16.992 1.00 39.12 H +HETATM12100 H2 HOH A1913 28.360 125.427 -18.409 1.00 39.12 H +HETATM12101 O HOH A1914 30.061 126.347 -21.683 1.00 61.66 O +HETATM12102 H1 HOH A1914 30.191 127.293 -21.981 1.00 61.66 H +HETATM12103 H2 HOH A1914 30.613 125.739 -22.253 1.00 61.66 H +HETATM12104 O HOH A1915 40.383 95.552 7.103 1.00 47.49 O +HETATM12105 H1 HOH A1915 39.779 96.254 6.726 1.00 47.49 H +HETATM12106 H2 HOH A1915 39.860 94.952 7.708 1.00 47.49 H +HETATM12107 O HOH A1921 4.644 147.835 -6.414 1.00 33.91 O +HETATM12108 H1 HOH A1921 4.521 147.111 -7.093 1.00 33.91 H +HETATM12109 H2 HOH A1921 5.585 148.173 -6.452 1.00 33.91 H +HETATM12110 O HOH A1926 11.153 159.816 -2.841 1.00 40.79 O +HETATM12111 H1 HOH A1926 10.904 160.773 -2.692 1.00 40.79 H +HETATM12112 H2 HOH A1926 11.451 159.411 -1.977 1.00 40.79 H +HETATM12113 O HOH A1927 32.807 86.579 13.386 1.00 36.63 O +HETATM12114 H1 HOH A1927 32.763 85.987 14.191 1.00 36.63 H +HETATM12115 H2 HOH A1927 33.764 86.750 13.150 1.00 36.63 H +HETATM12116 O HOH A1928 44.782 131.177 9.178 1.00 52.06 O +HETATM12117 H1 HOH A1928 44.117 130.890 8.488 1.00 52.06 H +HETATM12118 H2 HOH A1928 45.493 131.732 8.745 1.00 52.06 H +HETATM12119 O HOH A1936 38.194 143.235 -20.580 1.00 38.74 O +HETATM12120 H1 HOH A1936 38.397 144.141 -20.207 1.00 38.74 H +HETATM12121 H2 HOH A1936 38.864 142.576 -20.238 1.00 38.74 H +HETATM12122 O HOH A1940 21.313 158.783 -18.566 1.00 34.24 O +HETATM12123 H1 HOH A1940 20.902 159.432 -19.206 1.00 34.24 H +HETATM12124 H2 HOH A1940 21.753 158.045 -19.077 1.00 34.24 H +HETATM12125 O HOH A1941 40.403 99.375 -8.309 1.00 39.84 O +HETATM12126 H1 HOH A1941 40.015 98.792 -7.594 1.00 39.84 H +HETATM12127 H2 HOH A1941 40.253 98.951 -9.202 1.00 39.84 H +HETATM12128 O HOH A1942 16.701 136.804 -27.081 1.00 50.71 O +HETATM12129 H1 HOH A1942 17.477 136.509 -26.524 1.00 50.71 H +HETATM12130 H2 HOH A1942 17.019 137.034 -28.001 1.00 50.71 H +HETATM12131 O HOH A1946 23.254 91.484 2.262 1.00 42.00 O +HETATM12132 H1 HOH A1946 22.994 91.395 3.224 1.00 42.00 H +HETATM12133 H2 HOH A1946 23.689 92.372 2.115 1.00 42.00 H +HETATM12134 O HOH A1947 13.018 111.243 16.982 1.00 52.52 O +HETATM12135 H1 HOH A1947 13.365 110.332 16.756 1.00 52.52 H +HETATM12136 H2 HOH A1947 12.059 111.312 16.707 1.00 52.52 H +HETATM12137 O HOH A1949 40.137 134.437 0.992 1.00 35.39 O +HETATM12138 H1 HOH A1949 40.199 135.176 1.663 1.00 35.39 H +HETATM12139 H2 HOH A1949 39.387 134.624 0.358 1.00 35.39 H +HETATM12140 O HOH A1951 25.940 113.324 25.205 1.00 45.04 O +HETATM12141 H1 HOH A1951 25.807 114.285 24.963 1.00 45.04 H +HETATM12142 H2 HOH A1951 26.252 112.817 24.402 1.00 45.04 H +HETATM12143 O HOH A1952 8.119 165.117 -18.420 1.00 56.89 O +HETATM12144 H1 HOH A1952 8.942 165.328 -17.892 1.00 56.89 H +HETATM12145 H2 HOH A1952 8.091 165.692 -19.238 1.00 56.89 H +HETATM12146 O HOH A1953 20.659 142.668 -5.926 1.00 32.36 O +HETATM12147 H1 HOH A1953 19.809 143.190 -5.854 1.00 32.36 H +HETATM12148 H2 HOH A1953 21.436 143.269 -5.740 1.00 32.36 H +HETATM12149 O HOH A1957 31.002 109.475 8.144 1.00 37.51 O +HETATM12150 H1 HOH A1957 31.130 108.545 7.800 1.00 37.51 H +HETATM12151 H2 HOH A1957 30.072 109.780 7.941 1.00 37.51 H +HETATM12152 O HOH A1959 33.484 132.506 7.281 1.00 40.84 O +HETATM12153 H1 HOH A1959 32.859 131.732 7.386 1.00 40.84 H +HETATM12154 H2 HOH A1959 33.325 133.165 8.017 1.00 40.84 H +HETATM12155 O HOH A1961 36.042 94.529 0.508 1.00 52.99 O +HETATM12156 H1 HOH A1961 35.705 95.371 0.930 1.00 52.99 H +HETATM12157 H2 HOH A1961 37.013 94.415 0.720 1.00 52.99 H +HETATM12158 O HOH A1962 38.215 147.478 -26.918 1.00 56.33 O +HETATM12159 H1 HOH A1962 37.397 148.052 -26.874 1.00 56.33 H +HETATM12160 H2 HOH A1962 39.024 148.057 -27.019 1.00 56.33 H +HETATM12161 O HOH A1963 38.844 150.261 -22.140 1.00 51.16 O +HETATM12162 H1 HOH A1963 37.886 150.546 -22.154 1.00 51.16 H +HETATM12163 H2 HOH A1963 39.047 149.818 -21.266 1.00 51.16 H +HETATM12164 O HOH A1966 24.482 161.372 -23.513 1.00 52.07 O +HETATM12165 H1 HOH A1966 23.552 161.076 -23.297 1.00 52.07 H +HETATM12166 H2 HOH A1966 24.496 161.797 -24.418 1.00 52.07 H +HETATM12167 O HOH A1968 21.520 138.817 -34.251 1.00 58.61 O +HETATM12168 H1 HOH A1968 20.715 139.071 -33.715 1.00 58.61 H +HETATM12169 H2 HOH A1968 21.746 137.858 -34.078 1.00 58.61 H +HETATM12170 O HOH A1972 21.120 156.290 -30.234 1.00 44.30 O +HETATM12171 H1 HOH A1972 21.845 156.737 -30.758 1.00 44.30 H +HETATM12172 H2 HOH A1972 20.336 156.117 -30.830 1.00 44.30 H +HETATM12173 O HOH A1980 19.172 146.384 -4.599 1.00 41.95 O +HETATM12174 H1 HOH A1980 18.825 145.547 -5.021 1.00 41.95 H +HETATM12175 H2 HOH A1980 18.821 146.457 -3.665 1.00 41.95 H +HETATM12176 O HOH A1987 34.777 102.025 20.514 1.00 52.52 O +HETATM12177 H1 HOH A1987 35.300 101.856 19.679 1.00 52.52 H +HETATM12178 H2 HOH A1987 35.228 101.579 21.287 1.00 52.52 H +HETATM12179 O HOH A1990 40.291 95.476 13.822 1.00 59.37 O +HETATM12180 H1 HOH A1990 40.739 96.179 13.270 1.00 59.37 H +HETATM12181 H2 HOH A1990 40.374 94.590 13.365 1.00 59.37 H +HETATM12182 O HOH A1991 34.563 111.274 20.498 1.00 54.23 O +HETATM12183 H1 HOH A1991 33.711 111.218 19.977 1.00 54.23 H +HETATM12184 H2 HOH A1991 35.014 112.146 20.306 1.00 54.23 H +HETATM12185 O HOH A1995 15.108 105.809 12.781 1.00 39.08 O +HETATM12186 H1 HOH A1995 14.702 106.544 13.324 1.00 39.08 H +HETATM12187 H2 HOH A1995 16.057 106.038 12.565 1.00 39.08 H +HETATM12188 O HOH A1996 23.347 133.654 -21.862 1.00 41.85 O +HETATM12189 H1 HOH A1996 22.658 132.938 -21.750 1.00 41.85 H +HETATM12190 H2 HOH A1996 23.077 134.263 -22.607 1.00 41.85 H +HETATM12191 O HOH A1998 45.912 118.106 -10.148 1.00 37.05 O +HETATM12192 H1 HOH A1998 45.228 117.847 -10.830 1.00 37.05 H +HETATM12193 H2 HOH A1998 46.383 118.936 -10.447 1.00 37.05 H +HETATM12194 O HOH A2004 32.076 133.278 3.943 1.00 42.70 O +HETATM12195 H1 HOH A2004 32.194 133.761 3.076 1.00 42.70 H +HETATM12196 H2 HOH A2004 31.101 133.157 4.128 1.00 42.70 H +HETATM12197 O HOH A2005 29.985 149.837 -20.939 1.00 35.64 O +HETATM12198 H1 HOH A2005 29.497 149.042 -20.579 1.00 35.64 H +HETATM12199 H2 HOH A2005 30.842 149.958 -20.438 1.00 35.64 H +HETATM12200 O HOH A2008 35.884 151.597 -18.590 1.00 45.37 O +HETATM12201 H1 HOH A2008 34.956 151.442 -18.252 1.00 45.37 H +HETATM12202 H2 HOH A2008 35.843 151.992 -19.508 1.00 45.37 H +HETATM12203 O HOH A2011 14.315 162.166 -5.115 1.00 43.66 O +HETATM12204 H1 HOH A2011 14.569 162.573 -4.238 1.00 43.66 H +HETATM12205 H2 HOH A2011 15.121 162.116 -5.705 1.00 43.66 H +HETATM12206 O HOH A2014 41.476 102.062 -5.266 1.00 44.61 O +HETATM12207 H1 HOH A2014 41.024 102.529 -4.507 1.00 44.61 H +HETATM12208 H2 HOH A2014 40.797 101.555 -5.798 1.00 44.61 H +HETATM12209 O HOH A2016 38.232 146.580 -14.018 1.00 45.62 O +HETATM12210 H1 HOH A2016 38.029 146.006 -14.812 1.00 45.62 H +HETATM12211 H2 HOH A2016 37.418 147.104 -13.768 1.00 45.62 H +HETATM12212 O HOH A2018 29.953 102.744 3.735 1.00 38.69 O +HETATM12213 H1 HOH A2018 29.112 102.704 4.275 1.00 38.69 H +HETATM12214 H2 HOH A2018 30.718 102.407 4.283 1.00 38.69 H +HETATM12215 O HOH A2020 16.906 147.803 -4.481 1.00 45.39 O +HETATM12216 H1 HOH A2020 17.016 148.340 -5.318 1.00 45.39 H +HETATM12217 H2 HOH A2020 16.071 147.256 -4.542 1.00 45.39 H +HETATM12218 O HOH A2021 23.801 156.478 -16.934 1.00 41.67 O +HETATM12219 H1 HOH A2021 23.141 155.796 -17.249 1.00 41.67 H +HETATM12220 H2 HOH A2021 23.698 157.315 -17.471 1.00 41.67 H +HETATM12221 O HOH A2022 32.837 148.732 -7.156 1.00 48.12 O +HETATM12222 H1 HOH A2022 32.268 148.063 -7.634 1.00 48.12 H +HETATM12223 H2 HOH A2022 32.496 149.653 -7.342 1.00 48.12 H +HETATM12224 O HOH A2023 26.734 89.709 15.316 1.00 46.58 O +HETATM12225 H1 HOH A2023 26.573 88.897 14.755 1.00 46.58 H +HETATM12226 H2 HOH A2023 27.660 90.050 15.152 1.00 46.58 H +HETATM12227 O HOH A2029 19.752 110.651 21.875 1.00 42.46 O +HETATM12228 H1 HOH A2029 20.449 110.128 21.385 1.00 42.46 H +HETATM12229 H2 HOH A2029 18.979 110.055 22.092 1.00 42.46 H +HETATM12230 O HOH A2031 30.281 125.114 -15.848 1.00 45.60 O +HETATM12231 H1 HOH A2031 30.309 125.554 -14.951 1.00 45.60 H +HETATM12232 H2 HOH A2031 31.113 125.338 -16.356 1.00 45.60 H +HETATM12233 O HOH A2032 34.389 145.102 -27.930 1.00 40.34 O +HETATM12234 H1 HOH A2032 34.427 145.858 -28.584 1.00 40.34 H +HETATM12235 H2 HOH A2032 33.892 144.335 -28.337 1.00 40.34 H +HETATM12236 O HOH A2035 3.851 156.598 -12.631 1.00 46.34 O +HETATM12237 H1 HOH A2035 4.779 156.624 -13.003 1.00 46.34 H +HETATM12238 H2 HOH A2035 3.235 157.107 -13.233 1.00 46.34 H +HETATM12239 O HOH A2037 19.976 104.574 2.876 1.00 45.95 O +HETATM12240 H1 HOH A2037 19.285 104.128 3.445 1.00 45.95 H +HETATM12241 H2 HOH A2037 19.920 104.218 1.943 1.00 45.95 H +HETATM12242 O HOH A2042 6.405 161.293 -15.002 1.00 49.53 O +HETATM12243 H1 HOH A2042 7.199 161.090 -14.429 1.00 49.53 H +HETATM12244 H2 HOH A2042 6.665 161.233 -15.965 1.00 49.53 H +HETATM12245 O HOH A2044 29.268 139.968 0.457 1.00 43.34 O +HETATM12246 H1 HOH A2044 28.399 140.262 0.059 1.00 43.34 H +HETATM12247 H2 HOH A2044 29.894 140.747 0.501 1.00 43.34 H +HETATM12248 O HOH A2046 37.968 111.766 -13.116 1.00 45.64 O +HETATM12249 H1 HOH A2046 38.219 111.300 -13.964 1.00 45.64 H +HETATM12250 H2 HOH A2046 38.335 112.696 -13.126 1.00 45.64 H +HETATM12251 O HOH A2047 44.936 134.396 -0.648 1.00 46.96 O +HETATM12252 H1 HOH A2047 45.208 135.358 -0.676 1.00 46.96 H +HETATM12253 H2 HOH A2047 45.120 134.025 0.263 1.00 46.96 H +HETATM12254 O HOH A2048 28.370 112.194 4.801 1.00 49.02 O +HETATM12255 H1 HOH A2048 28.128 111.913 3.872 1.00 49.02 H +HETATM12256 H2 HOH A2048 27.625 112.735 5.190 1.00 49.02 H +HETATM12257 O HOH A2049 36.357 101.512 18.000 1.00 48.02 O +HETATM12258 H1 HOH A2049 35.935 102.380 17.740 1.00 48.02 H +HETATM12259 H2 HOH A2049 37.326 101.525 17.752 1.00 48.02 H +HETATM12260 O HOH A2050 39.988 149.010 -20.047 1.00 51.36 O +HETATM12261 H1 HOH A2050 40.534 149.665 -19.525 1.00 51.36 H +HETATM12262 H2 HOH A2050 40.579 148.275 -20.380 1.00 51.36 H +HETATM12263 O HOH A2053 -4.812 143.431 -7.747 1.00 47.26 O +HETATM12264 H1 HOH A2053 -5.021 143.998 -6.950 1.00 47.26 H +HETATM12265 H2 HOH A2053 -4.887 142.465 -7.498 1.00 47.26 H +HETATM12266 O HOH A2054 44.599 135.566 -4.004 1.00 46.84 O +HETATM12267 H1 HOH A2054 45.107 134.820 -3.574 1.00 46.84 H +HETATM12268 H2 HOH A2054 45.238 136.187 -4.458 1.00 46.84 H +HETATM12269 O HOH A2060 33.261 111.583 6.627 1.00 41.39 O +HETATM12270 H1 HOH A2060 33.209 111.319 7.590 1.00 41.39 H +HETATM12271 H2 HOH A2060 34.194 111.869 6.410 1.00 41.39 H +HETATM12272 O HOH A2061 22.221 139.050 -3.335 1.00 48.00 O +HETATM12273 H1 HOH A2061 22.739 138.358 -3.839 1.00 48.00 H +HETATM12274 H2 HOH A2061 21.403 139.299 -3.854 1.00 48.00 H +HETATM12275 O HOH A2064 52.325 110.328 -1.119 1.00 45.42 O +HETATM12276 H1 HOH A2064 52.255 109.947 -2.041 1.00 45.42 H +HETATM12277 H2 HOH A2064 52.703 109.638 -0.501 1.00 45.42 H +HETATM12278 O HOH A2067 40.645 94.896 2.169 1.00 50.51 O +HETATM12279 H1 HOH A2067 41.008 95.235 1.301 1.00 50.51 H +HETATM12280 H2 HOH A2067 39.891 95.482 2.467 1.00 50.51 H +HETATM12281 O HOH A2069 3.003 163.908 -24.443 1.00 42.65 O +HETATM12282 H1 HOH A2069 3.494 163.169 -23.983 1.00 42.65 H +HETATM12283 H2 HOH A2069 3.643 164.641 -24.675 1.00 42.65 H +HETATM12284 O HOH A2072 40.218 142.104 -1.635 1.00 48.39 O +HETATM12285 H1 HOH A2072 40.317 142.152 -2.629 1.00 48.39 H +HETATM12286 H2 HOH A2072 40.835 141.406 -1.271 1.00 48.39 H +HETATM12287 O HOH A2073 38.456 139.230 -27.878 1.00 45.10 O +HETATM12288 H1 HOH A2073 37.919 138.463 -27.527 1.00 45.10 H +HETATM12289 H2 HOH A2073 38.114 139.493 -28.779 1.00 45.10 H +HETATM12290 O HOH A2075 50.154 127.391 -2.801 1.00 49.36 O +HETATM12291 H1 HOH A2075 50.598 128.134 -3.302 1.00 49.36 H +HETATM12292 H2 HOH A2075 49.186 127.355 -3.048 1.00 49.36 H +HETATM12293 O HOH A2076 45.599 135.185 -12.783 1.00 48.07 O +HETATM12294 H1 HOH A2076 44.867 135.671 -13.261 1.00 48.07 H +HETATM12295 H2 HOH A2076 45.453 135.248 -11.796 1.00 48.07 H +HETATM12296 O HOH A2077 21.420 160.401 -22.808 1.00 48.57 O +HETATM12297 H1 HOH A2077 21.446 159.723 -22.074 1.00 48.57 H +HETATM12298 H2 HOH A2077 21.003 159.996 -23.621 1.00 48.57 H +HETATM12299 O HOH A2078 36.253 148.353 -12.804 1.00 43.65 O +HETATM12300 H1 HOH A2078 35.443 148.142 -13.351 1.00 43.65 H +HETATM12301 H2 HOH A2078 36.476 149.323 -12.898 1.00 43.65 H +HETATM12302 O HOH A2080 38.737 145.170 -4.454 1.00 46.32 O +HETATM12303 H1 HOH A2080 38.697 144.252 -4.849 1.00 46.32 H +HETATM12304 H2 HOH A2080 39.270 145.768 -5.053 1.00 46.32 H +HETATM12305 O HOH A2081 50.513 114.291 0.884 1.00 44.64 O +HETATM12306 H1 HOH A2081 49.664 113.893 0.538 1.00 44.64 H +HETATM12307 H2 HOH A2081 51.260 113.637 0.767 1.00 44.64 H +HETATM12308 O HOH A2082 30.484 112.323 9.643 1.00 50.02 O +HETATM12309 H1 HOH A2082 30.642 111.449 9.182 1.00 50.02 H +HETATM12310 H2 HOH A2082 31.000 112.346 10.500 1.00 50.02 H +HETATM12311 ZN ZN B1001 18.068 132.126 5.201 1.00 24.11 Zn2+ +HETATM12312 O HOH B1004 26.034 128.634 12.986 1.00 22.74 O +HETATM12313 H1 HOH B1004 26.949 128.231 13.015 1.00 22.74 H +HETATM12314 H2 HOH B1004 25.430 128.136 13.608 1.00 22.74 H +HETATM12315 O HOH B1005 12.557 141.675 -14.359 1.00 22.41 O +HETATM12316 H1 HOH B1005 11.741 141.760 -13.787 1.00 22.41 H +HETATM12317 H2 HOH B1005 13.065 142.536 -14.346 1.00 22.41 H +HETATM12318 O HOH B1006 12.930 146.871 -10.493 1.00 28.14 O +HETATM12319 H1 HOH B1006 13.506 147.428 -11.092 1.00 28.14 H +HETATM12320 H2 HOH B1006 12.432 147.467 -9.863 1.00 28.14 H +HETATM12321 O HOH B1007 17.316 125.832 10.277 1.00 14.40 O +HETATM12322 H1 HOH B1007 16.317 125.836 10.242 1.00 14.40 H +HETATM12323 H2 HOH B1007 17.672 126.582 9.720 1.00 14.40 H +HETATM12324 O HOH B1008 5.897 123.207 17.559 1.00 20.28 O +HETATM12325 H1 HOH B1008 5.693 123.165 18.537 1.00 20.28 H +HETATM12326 H2 HOH B1008 6.500 122.449 17.310 1.00 20.28 H +HETATM12327 O HOH B1009 -5.168 123.974 -5.253 1.00 20.98 O +HETATM12328 H1 HOH B1009 -4.796 124.831 -4.899 1.00 20.98 H +HETATM12329 H2 HOH B1009 -4.566 123.217 -4.998 1.00 20.98 H +HETATM12330 O HOH B1010 29.006 122.857 17.697 1.00 21.25 O +HETATM12331 H1 HOH B1010 28.776 122.387 18.549 1.00 21.25 H +HETATM12332 H2 HOH B1010 28.951 123.845 17.836 1.00 21.25 H +HETATM12333 O HOH B1011 8.727 148.987 -11.114 1.00 24.69 O +HETATM12334 H1 HOH B1011 9.317 148.329 -10.646 1.00 24.69 H +HETATM12335 H2 HOH B1011 7.849 148.557 -11.324 1.00 24.69 H +HETATM12336 O HOH B1012 37.883 122.021 14.843 1.00 19.39 O +HETATM12337 H1 HOH B1012 38.579 121.383 15.173 1.00 19.39 H +HETATM12338 H2 HOH B1012 37.232 122.214 15.577 1.00 19.39 H +HETATM12339 O HOH B1013 12.448 134.810 -20.152 1.00 21.86 O +HETATM12340 H1 HOH B1013 12.483 135.636 -19.589 1.00 21.86 H +HETATM12341 H2 HOH B1013 11.906 134.989 -20.973 1.00 21.86 H +HETATM12342 O HOH B1014 20.025 115.336 11.431 1.00 23.51 O +HETATM12343 H1 HOH B1014 20.899 115.480 10.968 1.00 23.51 H +HETATM12344 H2 HOH B1014 19.760 116.173 11.911 1.00 23.51 H +HETATM12345 O HOH B1015 4.830 125.715 -8.537 1.00 18.13 O +HETATM12346 H1 HOH B1015 4.993 126.696 -8.429 1.00 18.13 H +HETATM12347 H2 HOH B1015 4.364 125.363 -7.725 1.00 18.13 H +HETATM12348 O HOH B1016 3.929 119.274 7.018 1.00 22.36 O +HETATM12349 H1 HOH B1016 4.451 118.422 7.061 1.00 22.36 H +HETATM12350 H2 HOH B1016 4.072 119.795 7.860 1.00 22.36 H +HETATM12351 O HOH B1017 7.104 145.780 -13.489 1.00 22.27 O +HETATM12352 H1 HOH B1017 6.467 145.530 -14.218 1.00 22.27 H +HETATM12353 H2 HOH B1017 6.671 146.446 -12.881 1.00 22.27 H +HETATM12354 O HOH B1018 28.299 115.516 5.314 1.00 23.18 O +HETATM12355 H1 HOH B1018 27.679 114.773 5.062 1.00 23.18 H +HETATM12356 H2 HOH B1018 28.695 115.329 6.213 1.00 23.18 H +HETATM12357 O HOH B1019 1.798 131.048 -18.895 1.00 20.89 O +HETATM12358 H1 HOH B1019 1.180 130.387 -19.320 1.00 20.89 H +HETATM12359 H2 HOH B1019 1.270 131.687 -18.335 1.00 20.89 H +HETATM12360 O HOH B1020 12.727 112.857 14.840 1.00 20.07 O +HETATM12361 H1 HOH B1020 12.212 112.378 14.129 1.00 20.07 H +HETATM12362 H2 HOH B1020 13.628 113.108 14.487 1.00 20.07 H +HETATM12363 O HOH B1021 23.887 111.511 -14.667 1.00 32.06 O +HETATM12364 H1 HOH B1021 23.285 110.724 -14.537 1.00 32.06 H +HETATM12365 H2 HOH B1021 23.342 112.349 -14.686 1.00 32.06 H +HETATM12366 O HOH B1022 23.903 123.889 25.873 1.00 39.11 O +HETATM12367 H1 HOH B1022 24.896 123.823 25.777 1.00 39.11 H +HETATM12368 H2 HOH B1022 23.628 123.506 26.755 1.00 39.11 H +HETATM12369 O HOH B1023 -5.325 127.251 -16.630 1.00 31.52 O +HETATM12370 H1 HOH B1023 -5.401 127.594 -15.693 1.00 31.52 H +HETATM12371 H2 HOH B1023 -4.754 127.872 -17.167 1.00 31.52 H +HETATM12372 O HOH B1024 26.400 119.098 13.828 1.00 24.40 O +HETATM12373 H1 HOH B1024 27.360 119.251 14.063 1.00 24.40 H +HETATM12374 H2 HOH B1024 26.211 119.485 12.925 1.00 24.40 H +HETATM12375 O HOH B1025 27.008 126.282 26.145 1.00 34.29 O +HETATM12376 H1 HOH B1025 27.262 126.410 27.104 1.00 34.29 H +HETATM12377 H2 HOH B1025 27.266 125.361 25.853 1.00 34.29 H +HETATM12378 O HOH B1026 14.644 113.089 -17.111 1.00 24.51 O +HETATM12379 H1 HOH B1026 13.866 112.464 -17.045 1.00 24.51 H +HETATM12380 H2 HOH B1026 14.442 113.804 -17.781 1.00 24.51 H +HETATM12381 O HOH B1027 0.701 129.100 19.343 1.00 24.73 O +HETATM12382 H1 HOH B1027 1.282 129.864 19.061 1.00 24.73 H +HETATM12383 H2 HOH B1027 1.269 128.299 19.529 1.00 24.73 H +HETATM12384 O HOH B1028 29.124 134.853 13.248 1.00 33.63 O +HETATM12385 H1 HOH B1028 29.862 135.195 12.666 1.00 33.63 H +HETATM12386 H2 HOH B1028 29.388 133.972 13.639 1.00 33.63 H +HETATM12387 O HOH B1029 13.217 105.215 -5.077 1.00 46.60 O +HETATM12388 H1 HOH B1029 12.957 105.167 -4.113 1.00 46.60 H +HETATM12389 H2 HOH B1029 12.403 105.379 -5.635 1.00 46.60 H +HETATM12390 O HOH B1030 18.525 122.946 -14.983 1.00 21.49 O +HETATM12391 H1 HOH B1030 18.731 123.596 -14.252 1.00 21.49 H +HETATM12392 H2 HOH B1030 19.320 122.362 -15.144 1.00 21.49 H +HETATM12393 O HOH B1031 26.759 123.064 16.049 1.00 17.81 O +HETATM12394 H1 HOH B1031 27.562 122.989 16.640 1.00 17.81 H +HETATM12395 H2 HOH B1031 26.935 123.736 15.330 1.00 17.81 H +HETATM12396 O HOH B1032 28.227 119.217 -8.007 1.00 21.06 O +HETATM12397 H1 HOH B1032 27.333 118.787 -7.882 1.00 21.06 H +HETATM12398 H2 HOH B1032 28.405 119.844 -7.249 1.00 21.06 H +HETATM12399 O HOH B1033 19.668 112.645 11.465 1.00 22.11 O +HETATM12400 H1 HOH B1033 18.875 112.558 10.862 1.00 22.11 H +HETATM12401 H2 HOH B1033 19.919 113.610 11.548 1.00 22.11 H +HETATM12402 O HOH B1034 17.814 99.400 4.961 1.00 37.03 O +HETATM12403 H1 HOH B1034 18.292 99.863 5.707 1.00 37.03 H +HETATM12404 H2 HOH B1034 16.884 99.759 4.887 1.00 37.03 H +HETATM12405 O HOH B1035 6.839 145.144 -9.950 1.00 24.15 O +HETATM12406 H1 HOH B1035 6.624 145.944 -10.511 1.00 24.15 H +HETATM12407 H2 HOH B1035 7.821 144.960 -9.994 1.00 24.15 H +HETATM12408 O HOH B1036 5.069 139.579 -17.574 1.00 25.55 O +HETATM12409 H1 HOH B1036 6.036 139.809 -17.682 1.00 25.55 H +HETATM12410 H2 HOH B1036 4.942 139.058 -16.730 1.00 25.55 H +HETATM12411 O HOH B1037 14.062 106.007 9.347 1.00 25.78 O +HETATM12412 H1 HOH B1037 14.837 106.469 8.916 1.00 25.78 H +HETATM12413 H2 HOH B1037 13.686 106.589 10.068 1.00 25.78 H +HETATM12414 O HOH B1038 31.663 118.549 2.883 1.00 19.97 O +HETATM12415 H1 HOH B1038 31.046 118.929 2.194 1.00 19.97 H +HETATM12416 H2 HOH B1038 32.351 119.232 3.128 1.00 19.97 H +HETATM12417 O HOH B1039 32.606 126.126 4.501 1.00 20.37 O +HETATM12418 H1 HOH B1039 32.280 126.321 3.575 1.00 20.37 H +HETATM12419 H2 HOH B1039 32.048 125.403 4.906 1.00 20.37 H +HETATM12420 O HOH B1040 31.740 126.638 2.051 1.00 16.83 O +HETATM12421 H1 HOH B1040 31.402 126.378 1.146 1.00 16.83 H +HETATM12422 H2 HOH B1040 31.678 127.630 2.158 1.00 16.83 H +HETATM12423 O HOH B1041 8.851 126.867 -1.786 1.00 20.93 O +HETATM12424 H1 HOH B1041 7.934 127.092 -1.458 1.00 20.93 H +HETATM12425 H2 HOH B1041 8.787 126.429 -2.683 1.00 20.93 H +HETATM12426 O HOH B1042 33.952 121.519 11.216 1.00 19.24 O +HETATM12427 H1 HOH B1042 33.731 122.279 10.604 1.00 19.24 H +HETATM12428 H2 HOH B1042 34.562 121.840 11.940 1.00 19.24 H +HETATM12429 O HOH B1043 32.302 115.513 -6.994 1.00 28.72 O +HETATM12430 H1 HOH B1043 33.067 116.113 -6.761 1.00 28.72 H +HETATM12431 H2 HOH B1043 31.681 115.991 -7.615 1.00 28.72 H +HETATM12432 O HOH B1044 29.969 126.936 10.753 1.00 20.59 O +HETATM12433 H1 HOH B1044 29.159 126.839 10.175 1.00 20.59 H +HETATM12434 H2 HOH B1044 29.688 127.149 11.689 1.00 20.59 H +HETATM12435 O HOH B1045 6.955 112.443 14.107 1.00 22.48 O +HETATM12436 H1 HOH B1045 7.056 111.464 13.932 1.00 22.48 H +HETATM12437 H2 HOH B1045 6.003 112.712 13.960 1.00 22.48 H +HETATM12438 O HOH B1046 1.373 116.229 -17.324 1.00 29.12 O +HETATM12439 H1 HOH B1046 1.846 115.814 -18.102 1.00 29.12 H +HETATM12440 H2 HOH B1046 0.464 115.823 -17.233 1.00 29.12 H +HETATM12441 O HOH B1047 31.412 129.404 10.200 1.00 19.52 O +HETATM12442 H1 HOH B1047 32.209 129.440 10.803 1.00 19.52 H +HETATM12443 H2 HOH B1047 30.900 128.562 10.373 1.00 19.52 H +HETATM12444 O HOH B1048 36.827 125.158 21.103 1.00 38.66 O +HETATM12445 H1 HOH B1048 35.906 124.784 20.997 1.00 38.66 H +HETATM12446 H2 HOH B1048 36.832 126.118 20.823 1.00 38.66 H +HETATM12447 O HOH B1049 18.917 122.771 19.678 1.00 38.54 O +HETATM12448 H1 HOH B1049 19.110 123.483 19.003 1.00 38.54 H +HETATM12449 H2 HOH B1049 18.431 123.170 20.456 1.00 38.54 H +HETATM12450 O HOH B1050 24.704 129.380 -8.263 1.00 29.95 O +HETATM12451 H1 HOH B1050 25.443 128.851 -8.682 1.00 29.95 H +HETATM12452 H2 HOH B1050 24.112 129.751 -8.978 1.00 29.95 H +HETATM12453 O HOH B1051 20.387 120.988 19.485 1.00 31.82 O +HETATM12454 H1 HOH B1051 20.955 121.806 19.574 1.00 31.82 H +HETATM12455 H2 HOH B1051 19.428 121.257 19.392 1.00 31.82 H +HETATM12456 O HOH B1052 29.836 122.688 9.836 1.00 23.87 O +HETATM12457 H1 HOH B1052 30.526 121.973 9.725 1.00 23.87 H +HETATM12458 H2 HOH B1052 29.639 122.812 10.809 1.00 23.87 H +HETATM12459 O HOH B1053 31.795 125.098 11.575 1.00 27.12 O +HETATM12460 H1 HOH B1053 32.313 124.621 10.865 1.00 27.12 H +HETATM12461 H2 HOH B1053 31.161 125.743 11.148 1.00 27.12 H +HETATM12462 O HOH B1054 29.775 114.750 3.017 1.00 23.12 O +HETATM12463 H1 HOH B1054 29.194 114.528 2.234 1.00 23.12 H +HETATM12464 H2 HOH B1054 29.406 115.550 3.490 1.00 23.12 H +HETATM12465 O HOH B1055 26.540 120.475 11.081 1.00 39.05 O +HETATM12466 H1 HOH B1055 26.687 120.885 10.181 1.00 39.05 H +HETATM12467 H2 HOH B1055 26.318 121.191 11.743 1.00 39.05 H +HETATM12468 O HOH B1056 32.923 120.529 17.336 1.00 26.45 O +HETATM12469 H1 HOH B1056 32.747 119.545 17.299 1.00 26.45 H +HETATM12470 H2 HOH B1056 32.132 121.023 16.974 1.00 26.45 H +HETATM12471 O HOH B1057 15.664 154.321 -4.075 1.00 40.07 O +HETATM12472 H1 HOH B1057 15.096 153.499 -4.029 1.00 40.07 H +HETATM12473 H2 HOH B1057 16.375 154.197 -4.766 1.00 40.07 H +HETATM12474 O HOH B1058 6.701 139.682 -20.923 1.00 36.19 O +HETATM12475 H1 HOH B1058 7.500 139.843 -21.503 1.00 36.19 H +HETATM12476 H2 HOH B1058 6.965 139.767 -19.962 1.00 36.19 H +HETATM12477 O HOH B1059 39.952 126.159 22.261 1.00 44.54 O +HETATM12478 H1 HOH B1059 39.054 125.870 21.929 1.00 44.54 H +HETATM12479 H2 HOH B1059 40.202 127.028 21.834 1.00 44.54 H +HETATM12480 O HOH B1060 27.740 132.702 -1.351 1.00 25.99 O +HETATM12481 H1 HOH B1060 27.192 132.493 -0.541 1.00 25.99 H +HETATM12482 H2 HOH B1060 28.394 133.427 -1.134 1.00 25.99 H +HETATM12483 O HOH B1061 17.857 134.192 -10.292 1.00 31.32 O +HETATM12484 H1 HOH B1061 17.971 134.598 -11.199 1.00 31.32 H +HETATM12485 H2 HOH B1061 17.810 134.916 -9.605 1.00 31.32 H +HETATM12486 O HOH B1062 24.718 127.817 5.781 1.00 16.51 O +HETATM12487 H1 HOH B1062 24.377 128.477 5.112 1.00 16.51 H +HETATM12488 H2 HOH B1062 25.556 128.168 6.199 1.00 16.51 H +HETATM12489 O HOH B1063 11.129 138.433 1.758 1.00 32.08 O +HETATM12490 H1 HOH B1063 10.887 139.226 2.317 1.00 32.08 H +HETATM12491 H2 HOH B1063 10.610 138.456 0.904 1.00 32.08 H +HETATM12492 O HOH B1064 26.407 130.863 6.581 1.00 20.16 O +HETATM12493 H1 HOH B1064 27.031 131.587 6.874 1.00 20.16 H +HETATM12494 H2 HOH B1064 26.363 130.847 5.582 1.00 20.16 H +HETATM12495 O HOH B1065 14.185 142.247 -7.386 1.00 25.96 O +HETATM12496 H1 HOH B1065 14.383 141.266 -7.367 1.00 25.96 H +HETATM12497 H2 HOH B1065 14.512 142.669 -6.541 1.00 25.96 H +HETATM12498 O HOH B1066 23.772 131.369 7.654 1.00 31.92 O +HETATM12499 H1 HOH B1066 23.893 130.408 7.905 1.00 31.92 H +HETATM12500 H2 HOH B1066 24.621 131.720 7.260 1.00 31.92 H +HETATM12501 O HOH B1067 5.386 116.899 7.142 1.00 24.04 O +HETATM12502 H1 HOH B1067 5.625 116.894 6.171 1.00 24.04 H +HETATM12503 H2 HOH B1067 5.676 116.039 7.562 1.00 24.04 H +HETATM12504 O HOH B1068 27.672 111.390 2.134 1.00 21.90 O +HETATM12505 H1 HOH B1068 26.732 111.525 1.822 1.00 21.90 H +HETATM12506 H2 HOH B1068 27.806 110.431 2.385 1.00 21.90 H +HETATM12507 O HOH B1069 12.907 114.565 17.939 1.00 26.35 O +HETATM12508 H1 HOH B1069 12.941 113.605 17.662 1.00 26.35 H +HETATM12509 H2 HOH B1069 11.992 114.782 18.278 1.00 26.35 H +HETATM12510 O HOH B1070 25.613 133.609 4.463 1.00 24.69 O +HETATM12511 H1 HOH B1070 25.752 132.642 4.250 1.00 24.69 H +HETATM12512 H2 HOH B1070 24.701 133.890 4.164 1.00 24.69 H +HETATM12513 O HOH B1071 23.738 129.910 -10.955 1.00 23.51 O +HETATM12514 H1 HOH B1071 22.798 129.568 -10.971 1.00 23.51 H +HETATM12515 H2 HOH B1071 23.831 130.661 -11.608 1.00 23.51 H +HETATM12516 O HOH B1072 22.414 131.752 5.107 1.00 21.45 O +HETATM12517 H1 HOH B1072 21.686 131.190 5.499 1.00 21.45 H +HETATM12518 H2 HOH B1072 23.210 131.178 4.913 1.00 21.45 H +HETATM12519 O HOH B1073 21.379 117.676 24.397 1.00 33.48 O +HETATM12520 H1 HOH B1073 21.573 118.540 23.932 1.00 33.48 H +HETATM12521 H2 HOH B1073 20.417 117.652 24.668 1.00 33.48 H +HETATM12522 O HOH B1074 -4.759 127.594 -20.458 1.00 32.27 O +HETATM12523 H1 HOH B1074 -4.911 127.519 -21.443 1.00 32.27 H +HETATM12524 H2 HOH B1074 -5.214 128.415 -20.113 1.00 32.27 H +HETATM12525 O HOH B1075 22.150 109.249 -14.293 1.00 40.12 O +HETATM12526 H1 HOH B1075 21.212 109.567 -14.158 1.00 40.12 H +HETATM12527 H2 HOH B1075 22.444 108.731 -13.489 1.00 40.12 H +HETATM12528 O HOH B1076 34.332 133.450 17.940 1.00 39.58 O +HETATM12529 H1 HOH B1076 33.908 133.247 17.058 1.00 39.58 H +HETATM12530 H2 HOH B1076 34.690 134.384 17.932 1.00 39.58 H +HETATM12531 O HOH B1077 -10.261 120.087 -8.343 1.00 35.11 O +HETATM12532 H1 HOH B1077 -9.269 120.165 -8.242 1.00 35.11 H +HETATM12533 H2 HOH B1077 -10.625 119.498 -7.621 1.00 35.11 H +HETATM12534 O HOH B1078 20.276 136.475 -15.625 1.00 27.81 O +HETATM12535 H1 HOH B1078 20.287 135.526 -15.311 1.00 27.81 H +HETATM12536 H2 HOH B1078 19.429 136.651 -16.126 1.00 27.81 H +HETATM12537 O HOH B1079 30.113 111.630 0.670 1.00 26.38 O +HETATM12538 H1 HOH B1079 30.509 112.138 -0.094 1.00 26.38 H +HETATM12539 H2 HOH B1079 29.365 112.158 1.071 1.00 26.38 H +HETATM12540 O HOH B1080 14.732 139.547 -7.330 1.00 26.92 O +HETATM12541 H1 HOH B1080 13.858 139.083 -7.184 1.00 26.92 H +HETATM12542 H2 HOH B1080 15.374 139.283 -6.610 1.00 26.92 H +HETATM12543 O HOH B1081 16.177 136.890 8.692 1.00 25.96 O +HETATM12544 H1 HOH B1081 15.418 137.477 8.973 1.00 25.96 H +HETATM12545 H2 HOH B1081 16.983 137.452 8.510 1.00 25.96 H +HETATM12546 O HOH B1082 25.563 127.354 -15.322 1.00 23.82 O +HETATM12547 H1 HOH B1082 24.660 127.295 -14.896 1.00 23.82 H +HETATM12548 H2 HOH B1082 25.662 126.622 -15.996 1.00 23.82 H +HETATM12549 O HOH B1083 27.804 117.032 11.002 1.00 22.36 O +HETATM12550 H1 HOH B1083 28.569 117.508 10.569 1.00 22.36 H +HETATM12551 H2 HOH B1083 27.082 117.689 11.219 1.00 22.36 H +HETATM12552 O HOH B1084 9.188 114.488 -19.635 1.00 35.76 O +HETATM12553 H1 HOH B1084 9.599 113.594 -19.814 1.00 35.76 H +HETATM12554 H2 HOH B1084 8.380 114.605 -20.213 1.00 35.76 H +HETATM12555 O HOH B1085 37.802 129.352 17.159 1.00 35.58 O +HETATM12556 H1 HOH B1085 37.386 130.105 17.669 1.00 35.58 H +HETATM12557 H2 HOH B1085 38.182 128.685 17.800 1.00 35.58 H +HETATM12558 O HOH B1086 6.460 107.280 2.697 1.00 49.46 O +HETATM12559 H1 HOH B1086 6.240 106.824 3.560 1.00 49.46 H +HETATM12560 H2 HOH B1086 6.455 106.609 1.956 1.00 49.46 H +HETATM12561 O HOH B1087 32.798 133.851 20.378 1.00 36.29 O +HETATM12562 H1 HOH B1087 33.325 133.715 19.539 1.00 36.29 H +HETATM12563 H2 HOH B1087 33.047 133.150 21.046 1.00 36.29 H +HETATM12564 O HOH B1088 33.812 119.138 -7.076 1.00 28.74 O +HETATM12565 H1 HOH B1088 34.513 119.616 -6.548 1.00 28.74 H +HETATM12566 H2 HOH B1088 33.174 119.803 -7.464 1.00 28.74 H +HETATM12567 O HOH B1089 17.123 139.218 -5.544 1.00 43.03 O +HETATM12568 H1 HOH B1089 18.123 139.239 -5.522 1.00 43.03 H +HETATM12569 H2 HOH B1089 16.802 138.314 -5.264 1.00 43.03 H +HETATM12570 O HOH B1090 7.792 123.633 24.851 1.00 20.02 O +HETATM12571 H1 HOH B1090 8.381 123.809 25.640 1.00 20.02 H +HETATM12572 H2 HOH B1090 7.352 122.741 24.956 1.00 20.02 H +HETATM12573 O HOH B1091 24.696 129.497 -17.012 1.00 27.69 O +HETATM12574 H1 HOH B1091 24.362 129.735 -17.924 1.00 27.69 H +HETATM12575 H2 HOH B1091 25.682 129.333 -17.049 1.00 27.69 H +HETATM12576 O HOH B1092 22.975 117.775 19.882 1.00 19.59 O +HETATM12577 H1 HOH B1092 23.577 117.095 19.462 1.00 19.59 H +HETATM12578 H2 HOH B1092 23.194 118.682 19.522 1.00 19.59 H +HETATM12579 O HOH B1093 10.446 128.453 28.169 1.00 25.86 O +HETATM12580 H1 HOH B1093 9.714 127.773 28.129 1.00 25.86 H +HETATM12581 H2 HOH B1093 11.183 128.115 28.754 1.00 25.86 H +HETATM12582 O HOH B1094 1.206 113.805 10.763 1.00 32.73 O +HETATM12583 H1 HOH B1094 1.864 113.099 10.499 1.00 32.73 H +HETATM12584 H2 HOH B1094 1.423 114.137 11.681 1.00 32.73 H +HETATM12585 O HOH B1095 25.571 116.005 24.525 1.00 42.63 O +HETATM12586 H1 HOH B1095 25.676 116.746 25.189 1.00 42.63 H +HETATM12587 H2 HOH B1095 25.977 116.279 23.653 1.00 42.63 H +HETATM12588 O HOH B1096 14.144 115.836 38.088 1.00 42.55 O +HETATM12589 H1 HOH B1096 13.776 116.687 37.713 1.00 42.55 H +HETATM12590 H2 HOH B1096 15.062 116.000 38.450 1.00 42.55 H +HETATM12591 O HOH B1097 11.519 133.149 27.931 1.00 43.59 O +HETATM12592 H1 HOH B1097 12.406 132.974 28.359 1.00 43.59 H +HETATM12593 H2 HOH B1097 10.975 133.746 28.520 1.00 43.59 H +HETATM12594 O HOH B1098 25.797 122.284 -16.746 1.00 42.36 O +HETATM12595 H1 HOH B1098 25.131 122.572 -17.434 1.00 42.36 H +HETATM12596 H2 HOH B1098 25.951 123.030 -16.097 1.00 42.36 H +HETATM12597 O HOH B1099 18.836 129.568 32.394 1.00 26.37 O +HETATM12598 H1 HOH B1099 18.351 130.014 31.642 1.00 26.37 H +HETATM12599 H2 HOH B1099 19.482 128.899 32.026 1.00 26.37 H +HETATM12600 O HOH B1100 1.702 120.441 22.078 1.00 25.86 O +HETATM12601 H1 HOH B1100 2.540 120.172 21.604 1.00 25.86 H +HETATM12602 H2 HOH B1100 1.897 121.203 22.696 1.00 25.86 H +HETATM12603 O HOH B1101 -2.509 121.843 4.813 1.00 34.78 O +HETATM12604 H1 HOH B1101 -1.514 121.764 4.876 1.00 34.78 H +HETATM12605 H2 HOH B1101 -2.796 122.736 5.159 1.00 34.78 H +HETATM12606 O HOH B1102 4.246 143.880 7.214 1.00 25.95 O +HETATM12607 H1 HOH B1102 3.729 143.028 7.292 1.00 25.95 H +HETATM12608 H2 HOH B1102 4.205 144.211 6.271 1.00 25.95 H +HETATM12609 O HOH B1103 4.103 126.386 30.282 1.00 28.68 O +HETATM12610 H1 HOH B1103 4.011 127.353 30.520 1.00 28.68 H +HETATM12611 H2 HOH B1103 4.298 125.858 31.109 1.00 28.68 H +HETATM12612 O HOH B1104 22.948 134.055 3.485 1.00 29.02 O +HETATM12613 H1 HOH B1104 22.762 133.253 4.052 1.00 29.02 H +HETATM12614 H2 HOH B1104 22.708 133.855 2.535 1.00 29.02 H +HETATM12615 O HOH B1105 -3.875 129.625 -24.785 1.00 32.21 O +HETATM12616 H1 HOH B1105 -3.190 129.740 -24.065 1.00 32.21 H +HETATM12617 H2 HOH B1105 -3.436 129.709 -25.680 1.00 32.21 H +HETATM12618 O HOH B1106 -1.092 134.334 19.072 1.00 37.67 O +HETATM12619 H1 HOH B1106 -1.804 134.685 19.680 1.00 37.67 H +HETATM12620 H2 HOH B1106 -0.761 133.457 19.420 1.00 37.67 H +HETATM12621 O HOH B1107 16.135 111.400 -18.644 1.00 41.15 O +HETATM12622 H1 HOH B1107 17.080 111.586 -18.375 1.00 41.15 H +HETATM12623 H2 HOH B1107 16.074 110.483 -19.036 1.00 41.15 H +HETATM12624 O HOH B1108 -13.700 130.848 -8.825 1.00 31.46 O +HETATM12625 H1 HOH B1108 -13.771 129.916 -8.470 1.00 31.46 H +HETATM12626 H2 HOH B1108 -13.744 131.498 -8.066 1.00 31.46 H +HETATM12627 O HOH B1109 5.985 116.882 4.718 1.00 33.97 O +HETATM12628 H1 HOH B1109 6.937 117.168 4.607 1.00 33.97 H +HETATM12629 H2 HOH B1109 5.388 117.512 4.222 1.00 33.97 H +HETATM12630 O HOH B1110 14.507 130.555 -26.289 1.00 38.29 O +HETATM12631 H1 HOH B1110 14.388 129.827 -25.613 1.00 38.29 H +HETATM12632 H2 HOH B1110 14.702 130.151 -27.183 1.00 38.29 H +HETATM12633 O HOH B1111 -5.810 141.189 -14.004 1.00 31.85 O +HETATM12634 H1 HOH B1111 -5.103 140.943 -13.341 1.00 31.85 H +HETATM12635 H2 HOH B1111 -6.182 140.358 -14.419 1.00 31.85 H +HETATM12636 O HOH B1112 4.649 118.879 29.964 1.00 39.81 O +HETATM12637 H1 HOH B1112 5.328 119.430 30.448 1.00 39.81 H +HETATM12638 H2 HOH B1112 3.973 118.534 30.615 1.00 39.81 H +HETATM12639 O HOH B1113 7.352 144.682 6.047 1.00 37.28 O +HETATM12640 H1 HOH B1113 6.455 144.921 5.675 1.00 37.28 H +HETATM12641 H2 HOH B1113 7.356 144.838 7.035 1.00 37.28 H +HETATM12642 O HOH B1114 2.461 116.241 19.945 1.00 42.05 O +HETATM12643 H1 HOH B1114 2.808 116.212 20.882 1.00 42.05 H +HETATM12644 H2 HOH B1114 2.444 115.315 19.568 1.00 42.05 H +HETATM12645 O HOH B1115 10.706 120.954 34.035 1.00 30.56 O +HETATM12646 H1 HOH B1115 11.040 121.660 34.659 1.00 30.56 H +HETATM12647 H2 HOH B1115 11.463 120.622 33.472 1.00 30.56 H +HETATM12648 O HOH B1116 8.806 109.743 -7.301 1.00 38.41 O +HETATM12649 H1 HOH B1116 8.795 110.648 -7.725 1.00 38.41 H +HETATM12650 H2 HOH B1116 9.722 109.348 -7.379 1.00 38.41 H +HETATM12651 O HOH B1117 9.437 124.122 27.057 1.00 18.89 O +HETATM12652 H1 HOH B1117 9.714 123.296 27.547 1.00 18.89 H +HETATM12653 H2 HOH B1117 9.121 124.809 27.711 1.00 18.89 H +HETATM12654 O HOH B1118 -2.054 126.428 11.938 1.00 22.98 O +HETATM12655 H1 HOH B1118 -1.498 126.511 11.112 1.00 22.98 H +HETATM12656 H2 HOH B1118 -3.007 126.261 11.684 1.00 22.98 H +HETATM12657 O HOH B1119 27.867 108.555 2.815 1.00 26.37 O +HETATM12658 H1 HOH B1119 27.149 108.047 2.340 1.00 26.37 H +HETATM12659 H2 HOH B1119 27.757 108.440 3.803 1.00 26.37 H +HETATM12660 O HOH B1120 18.025 128.493 34.917 1.00 29.46 O +HETATM12661 H1 HOH B1120 18.307 128.870 34.035 1.00 29.46 H +HETATM12662 H2 HOH B1120 18.625 127.731 35.162 1.00 29.46 H +HETATM12663 O HOH B1121 -3.216 123.960 3.224 1.00 35.46 O +HETATM12664 H1 HOH B1121 -2.680 124.507 2.581 1.00 35.46 H +HETATM12665 H2 HOH B1121 -3.972 123.521 2.739 1.00 35.46 H +HETATM12666 O HOH B1122 29.511 117.416 -9.271 1.00 40.96 O +HETATM12667 H1 HOH B1122 28.760 117.099 -9.850 1.00 40.96 H +HETATM12668 H2 HOH B1122 29.195 117.489 -8.325 1.00 40.96 H +HETATM12669 O HOH B1123 13.694 106.356 -9.538 1.00 38.06 O +HETATM12670 H1 HOH B1123 13.018 106.804 -10.122 1.00 38.06 H +HETATM12671 H2 HOH B1123 13.231 105.730 -8.911 1.00 38.06 H +HETATM12672 O HOH B1124 31.049 127.880 21.061 1.00 33.23 O +HETATM12673 H1 HOH B1124 31.907 127.384 21.193 1.00 33.23 H +HETATM12674 H2 HOH B1124 31.200 128.648 20.438 1.00 33.23 H +HETATM12675 O HOH B1125 4.462 118.902 23.438 1.00 32.17 O +HETATM12676 H1 HOH B1125 5.204 119.002 24.100 1.00 32.17 H +HETATM12677 H2 HOH B1125 4.763 118.316 22.685 1.00 32.17 H +HETATM12678 O HOH B1126 -6.223 139.388 5.008 1.00 34.37 O +HETATM12679 H1 HOH B1126 -5.589 140.027 4.573 1.00 34.37 H +HETATM12680 H2 HOH B1126 -6.399 138.620 4.392 1.00 34.37 H +HETATM12681 O HOH B1127 0.959 136.099 18.970 1.00 31.38 O +HETATM12682 H1 HOH B1127 1.708 135.920 19.608 1.00 31.38 H +HETATM12683 H2 HOH B1127 0.252 135.400 19.080 1.00 31.38 H +HETATM12684 O HOH B1128 31.342 119.320 20.720 1.00 29.89 O +HETATM12685 H1 HOH B1128 31.389 120.310 20.851 1.00 29.89 H +HETATM12686 H2 HOH B1128 30.399 119.011 20.842 1.00 29.89 H +HETATM12687 O HOH B1129 28.156 111.869 -12.106 1.00 45.72 O +HETATM12688 H1 HOH B1129 27.243 111.555 -12.367 1.00 45.72 H +HETATM12689 H2 HOH B1129 28.095 112.417 -11.272 1.00 45.72 H +HETATM12690 O HOH B1130 18.180 137.870 7.092 1.00 32.36 O +HETATM12691 H1 HOH B1130 19.069 138.112 6.703 1.00 32.36 H +HETATM12692 H2 HOH B1130 17.899 136.974 6.747 1.00 32.36 H +HETATM12693 O HOH B1131 24.841 135.060 9.719 1.00 31.20 O +HETATM12694 H1 HOH B1131 25.310 134.749 8.892 1.00 31.20 H +HETATM12695 H2 HOH B1131 25.512 135.222 10.442 1.00 31.20 H +HETATM12696 O HOH B1132 28.346 122.115 13.917 1.00 33.35 O +HETATM12697 H1 HOH B1132 29.131 122.561 13.486 1.00 33.35 H +HETATM12698 H2 HOH B1132 27.500 122.524 13.575 1.00 33.35 H +HETATM12699 O HOH B1133 22.809 134.800 15.977 1.00 40.33 O +HETATM12700 H1 HOH B1133 22.175 135.557 15.821 1.00 40.33 H +HETATM12701 H2 HOH B1133 23.487 134.775 15.242 1.00 40.33 H +HETATM12702 O HOH B1134 16.832 122.362 -26.700 1.00 42.17 O +HETATM12703 H1 HOH B1134 16.676 122.860 -25.846 1.00 42.17 H +HETATM12704 H2 HOH B1134 17.329 122.947 -27.341 1.00 42.17 H +HETATM12705 O HOH B1135 15.181 135.865 17.599 1.00 42.23 O +HETATM12706 H1 HOH B1135 15.428 134.997 17.170 1.00 42.23 H +HETATM12707 H2 HOH B1135 15.008 136.550 16.891 1.00 42.23 H +HETATM12708 O HOH B1136 23.348 134.731 -1.365 1.00 30.80 O +HETATM12709 H1 HOH B1136 23.655 134.343 -0.496 1.00 30.80 H +HETATM12710 H2 HOH B1136 22.423 135.095 -1.260 1.00 30.80 H +HETATM12711 O HOH B1137 4.186 129.305 28.127 1.00 35.64 O +HETATM12712 H1 HOH B1137 4.501 130.209 27.838 1.00 35.64 H +HETATM12713 H2 HOH B1137 4.672 128.600 27.611 1.00 35.64 H +HETATM12714 O HOH B1138 15.423 147.690 -1.424 1.00 49.70 O +HETATM12715 H1 HOH B1138 14.849 147.269 -0.722 1.00 49.70 H +HETATM12716 H2 HOH B1138 15.811 148.542 -1.071 1.00 49.70 H +HETATM12717 O HOH B1139 -0.295 116.049 -13.148 1.00 48.38 O +HETATM12718 H1 HOH B1139 0.170 116.916 -12.972 1.00 48.38 H +HETATM12719 H2 HOH B1139 -0.029 115.380 -12.454 1.00 48.38 H +HETATM12720 O HOH B1140 23.806 116.125 -18.830 1.00 39.16 O +HETATM12721 H1 HOH B1140 23.020 115.589 -19.138 1.00 39.16 H +HETATM12722 H2 HOH B1140 23.998 116.848 -19.494 1.00 39.16 H +HETATM12723 O HOH B1141 3.469 113.222 5.456 1.00 49.93 O +HETATM12724 H1 HOH B1141 4.151 113.637 4.853 1.00 49.93 H +HETATM12725 H2 HOH B1141 3.707 112.265 5.621 1.00 49.93 H +HETATM12726 O HOH B1142 23.187 133.919 7.074 1.00 39.47 O +HETATM12727 H1 HOH B1142 22.902 134.384 7.912 1.00 39.47 H +HETATM12728 H2 HOH B1142 22.871 132.970 7.096 1.00 39.47 H +HETATM12729 O HOH B1143 -2.818 136.992 -17.764 1.00 38.94 O +HETATM12730 H1 HOH B1143 -2.745 137.286 -18.717 1.00 38.94 H +HETATM12731 H2 HOH B1143 -2.310 137.626 -17.181 1.00 38.94 H +HETATM12732 O HOH B1144 16.203 132.586 32.742 1.00 39.41 O +HETATM12733 H1 HOH B1144 16.060 131.596 32.753 1.00 39.41 H +HETATM12734 H2 HOH B1144 17.146 132.784 32.474 1.00 39.41 H +HETATM12735 O HOH B1145 14.389 117.694 -24.757 1.00 59.65 O +HETATM12736 H1 HOH B1145 13.779 118.377 -25.158 1.00 59.65 H +HETATM12737 H2 HOH B1145 14.016 116.780 -24.916 1.00 59.65 H +HETATM12738 O HOH B1146 1.310 108.085 16.720 1.00 38.93 O +HETATM12739 H1 HOH B1146 1.970 107.905 17.449 1.00 38.93 H +HETATM12740 H2 HOH B1146 1.724 107.868 15.836 1.00 38.93 H +HETATM12741 O HOH B1147 5.448 103.083 8.284 1.00 57.74 O +HETATM12742 H1 HOH B1147 4.972 103.744 8.864 1.00 57.74 H +HETATM12743 H2 HOH B1147 5.863 102.376 8.856 1.00 57.74 H +HETATM12744 O HOH B1148 21.493 131.730 -21.564 1.00 43.95 O +HETATM12745 H1 HOH B1148 20.685 131.958 -22.107 1.00 43.95 H +HETATM12746 H2 HOH B1148 21.237 131.660 -20.600 1.00 43.95 H +HETATM12747 O HOH B1149 0.442 111.271 16.780 1.00 39.02 O +HETATM12748 H1 HOH B1149 0.706 110.306 16.760 1.00 39.02 H +HETATM12749 H2 HOH B1149 -0.131 111.444 17.581 1.00 39.02 H +HETATM12750 O HOH B1150 7.987 130.193 26.601 1.00 39.53 O +HETATM12751 H1 HOH B1150 8.712 129.683 27.063 1.00 39.53 H +HETATM12752 H2 HOH B1150 7.219 129.583 26.407 1.00 39.53 H +HETATM12753 O HOH B1151 20.632 127.699 31.219 1.00 53.79 O +HETATM12754 H1 HOH B1151 20.902 128.360 30.519 1.00 53.79 H +HETATM12755 H2 HOH B1151 21.435 127.431 31.752 1.00 53.79 H +HETATM12756 O HOH B1152 -0.857 130.245 21.136 1.00 35.41 O +HETATM12757 H1 HOH B1152 -0.266 129.809 20.456 1.00 35.41 H +HETATM12758 H2 HOH B1152 -1.039 131.190 20.862 1.00 35.41 H +HETATM12759 O HOH B1153 18.808 140.587 8.367 1.00 54.21 O +HETATM12760 H1 HOH B1153 18.602 139.701 7.952 1.00 54.21 H +HETATM12761 H2 HOH B1153 19.710 140.896 8.065 1.00 54.21 H +HETATM12762 O HOH B1154 4.946 133.271 29.439 1.00 59.45 O +HETATM12763 H1 HOH B1154 5.069 132.899 28.519 1.00 59.45 H +HETATM12764 H2 HOH B1154 4.490 132.593 30.015 1.00 59.45 H +HETATM12765 O HOH B1155 35.861 128.072 20.027 1.00 55.21 O +HETATM12766 H1 HOH B1155 36.789 127.925 19.685 1.00 55.21 H +HETATM12767 H2 HOH B1155 35.280 128.401 19.283 1.00 55.21 H +HETATM12768 O HOH B1156 7.237 130.932 -25.374 1.00 34.81 O +HETATM12769 H1 HOH B1156 6.582 131.363 -24.754 1.00 34.81 H +HETATM12770 H2 HOH B1156 6.838 130.096 -25.752 1.00 34.81 H +HETATM12771 O HOH B1157 25.885 111.092 -12.751 1.00 38.83 O +HETATM12772 H1 HOH B1157 25.583 111.586 -13.567 1.00 38.83 H +HETATM12773 H2 HOH B1157 25.247 111.266 -12.001 1.00 38.83 H +HETATM12774 O HOH B1158 33.340 126.559 21.411 1.00 38.27 O +HETATM12775 H1 HOH B1158 33.547 125.610 21.174 1.00 38.27 H +HETATM12776 H2 HOH B1158 34.050 127.158 21.041 1.00 38.27 H +HETATM12777 O HOH B1159 28.152 130.666 26.681 1.00 49.74 O +HETATM12778 H1 HOH B1159 27.981 131.550 26.246 1.00 49.74 H +HETATM12779 H2 HOH B1159 28.079 130.762 27.674 1.00 49.74 H +HETATM12780 O HOH B1160 1.491 114.055 -4.259 1.00 59.10 O +HETATM12781 H1 HOH B1160 2.081 113.755 -5.009 1.00 59.10 H +HETATM12782 H2 HOH B1160 0.668 114.481 -4.634 1.00 59.10 H +HETATM12783 O HOH B1161 40.176 129.011 20.514 1.00 44.57 O +HETATM12784 H1 HOH B1161 39.628 128.453 19.890 1.00 44.57 H +HETATM12785 H2 HOH B1161 40.267 129.935 20.142 1.00 44.57 H +HETATM12786 O HOH B1162 28.077 121.033 1.809 1.00 16.50 O +HETATM12787 H1 HOH B1162 27.573 121.473 1.066 1.00 16.50 H +HETATM12788 H2 HOH B1162 28.819 120.481 1.428 1.00 16.50 H +HETATM12789 O HOH B1163 13.388 110.771 6.842 1.00 18.93 O +HETATM12790 H1 HOH B1163 12.965 109.964 7.255 1.00 18.93 H +HETATM12791 H2 HOH B1163 12.945 110.970 5.968 1.00 18.93 H +HETATM12792 O HOH B1164 9.969 132.135 39.662 1.00 30.32 O +HETATM12793 H1 HOH B1164 10.607 132.766 40.298 1.00 30.32 H +HETATM12794 H2 HOH B1164 9.330 131.502 40.295 1.00 30.32 H +HETATM12795 O HOH B1165 2.906 131.512 -34.910 1.00 30.89 O +HETATM12796 H1 HOH B1165 3.543 132.142 -34.271 1.00 30.89 H +HETATM12797 H2 HOH B1165 2.266 130.878 -34.278 1.00 30.89 H +HETATM12798 O HOH B1166 -8.712 111.475 -28.041 1.00 44.87 O +HETATM12799 H1 HOH B1166 -7.730 111.285 -28.023 1.00 44.87 H +HETATM12800 H2 HOH B1166 -9.082 111.231 -28.937 1.00 44.87 H +HETATM12801 O HOH B1167 10.126 111.096 -15.744 1.00 54.18 O +HETATM12802 H1 HOH B1167 10.146 110.882 -14.768 1.00 54.18 H +HETATM12803 H2 HOH B1167 9.619 110.385 -16.232 1.00 54.18 H +HETATM12804 O HOH B1168 -3.765 108.734 13.651 1.00 65.86 O +HETATM12805 H1 HOH B1168 -3.164 108.000 13.334 1.00 65.86 H +HETATM12806 H2 HOH B1168 -3.718 108.796 14.648 1.00 65.86 H +HETATM12807 O HOH B1169 18.747 136.028 -25.618 1.00 49.16 O +HETATM12808 H1 HOH B1169 19.582 136.062 -26.168 1.00 49.16 H +HETATM12809 H2 HOH B1169 18.595 135.092 -25.301 1.00 49.16 H +HETATM12810 O HOH B1170 31.733 116.322 23.398 1.00 47.82 O +HETATM12811 H1 HOH B1170 31.216 117.175 23.324 1.00 47.82 H +HETATM12812 H2 HOH B1170 31.115 115.546 23.278 1.00 47.82 H +HETATM12813 O HOH B1171 12.375 111.273 -16.922 1.00 43.52 O +HETATM12814 H1 HOH B1171 11.492 111.204 -16.457 1.00 43.52 H +HETATM12815 H2 HOH B1171 12.234 111.262 -17.911 1.00 43.52 H +HETATM12816 O HOH B1172 10.794 100.830 11.643 1.00 55.72 O +HETATM12817 H1 HOH B1172 10.916 101.299 10.768 1.00 55.72 H +HETATM12818 H2 HOH B1172 10.188 101.369 12.228 1.00 55.72 H +HETATM12819 O HOH B1173 12.146 108.407 8.046 1.00 31.57 O +HETATM12820 H1 HOH B1173 11.757 108.629 8.940 1.00 31.57 H +HETATM12821 H2 HOH B1173 11.415 108.127 7.424 1.00 31.57 H +HETATM12822 O HOH B1174 -10.027 133.542 -6.419 1.00 33.60 O +HETATM12823 H1 HOH B1174 -10.498 134.088 -7.112 1.00 33.60 H +HETATM12824 H2 HOH B1174 -10.201 133.931 -5.514 1.00 33.60 H +HETATM12825 O HOH B1175 2.019 113.956 -25.390 1.00 45.75 O +HETATM12826 H1 HOH B1175 1.807 114.651 -26.078 1.00 45.75 H +HETATM12827 H2 HOH B1175 2.670 114.329 -24.729 1.00 45.75 H +HETATM12828 O HOH B1176 -0.901 109.044 17.035 1.00 50.57 O +HETATM12829 H1 HOH B1176 -1.757 108.685 16.662 1.00 50.57 H +HETATM12830 H2 HOH B1176 -0.142 108.457 16.752 1.00 50.57 H +HETATM12831 O HOH B1177 3.308 141.373 -17.866 1.00 30.43 O +HETATM12832 H1 HOH B1177 4.004 140.664 -17.749 1.00 30.43 H +HETATM12833 H2 HOH B1177 3.076 141.456 -18.835 1.00 30.43 H +HETATM12834 O HOH B1178 -8.241 141.837 5.090 1.00 55.44 O +HETATM12835 H1 HOH B1178 -7.606 141.065 5.063 1.00 55.44 H +HETATM12836 H2 HOH B1178 -8.188 142.282 5.984 1.00 55.44 H +HETATM12837 O HOH B1179 23.537 104.274 -2.611 1.00 62.82 O +HETATM12838 H1 HOH B1179 22.674 104.543 -3.038 1.00 62.82 H +HETATM12839 H2 HOH B1179 24.092 105.088 -2.440 1.00 62.82 H +HETATM12840 O HOH B1180 31.123 130.396 21.422 1.00 42.93 O +HETATM12841 H1 HOH B1180 30.724 130.808 20.603 1.00 42.93 H +HETATM12842 H2 HOH B1180 31.978 130.864 21.649 1.00 42.93 H +HETATM12843 O HOH B1181 5.937 116.059 33.918 1.00 51.39 O +HETATM12844 H1 HOH B1181 6.870 116.417 33.962 1.00 51.39 H +HETATM12845 H2 HOH B1181 5.683 115.909 32.962 1.00 51.39 H +HETATM12846 O HOH B1182 5.250 132.340 27.150 1.00 48.77 O +HETATM12847 H1 HOH B1182 6.058 131.752 27.134 1.00 48.77 H +HETATM12848 H2 HOH B1182 5.370 133.089 26.499 1.00 48.77 H +HETATM12849 O HOH B1183 19.121 133.600 30.783 1.00 46.34 O +HETATM12850 H1 HOH B1183 18.609 132.757 30.616 1.00 46.34 H +HETATM12851 H2 HOH B1183 19.095 134.174 29.965 1.00 46.34 H +HETATM12852 O HOH B1184 2.336 115.024 1.973 1.00 46.73 O +HETATM12853 H1 HOH B1184 2.321 115.666 2.739 1.00 46.73 H +HETATM12854 H2 HOH B1184 3.169 114.472 2.015 1.00 46.73 H +HETATM12855 O HOH B1185 4.826 114.560 -7.182 1.00 53.81 O +HETATM12856 H1 HOH B1185 4.584 115.468 -7.522 1.00 53.81 H +HETATM12857 H2 HOH B1185 4.820 113.907 -7.939 1.00 53.81 H +HETATM12858 O HOH B1186 8.129 138.951 -23.785 1.00 54.82 O +HETATM12859 H1 HOH B1186 8.487 138.067 -23.484 1.00 54.82 H +HETATM12860 H2 HOH B1186 8.052 138.958 -24.782 1.00 54.82 H +HETATM12861 O HOH B1187 30.524 121.327 16.266 1.00 33.28 O +HETATM12862 H1 HOH B1187 29.937 121.917 16.821 1.00 33.28 H +HETATM12863 H2 HOH B1187 30.578 121.689 15.336 1.00 33.28 H +HETATM12864 O HOH B1188 33.877 117.811 -9.465 1.00 37.23 O +HETATM12865 H1 HOH B1188 33.851 118.297 -8.591 1.00 37.23 H +HETATM12866 H2 HOH B1188 34.825 117.722 -9.770 1.00 37.23 H +HETATM12867 O HOH B1189 29.410 119.581 14.559 1.00 44.94 O +HETATM12868 H1 HOH B1189 29.032 120.479 14.332 1.00 44.94 H +HETATM12869 H2 HOH B1189 30.298 119.471 14.113 1.00 44.94 H +HETATM12870 O HOH B1190 30.476 123.331 12.744 1.00 48.24 O +HETATM12871 H1 HOH B1190 31.003 124.040 12.276 1.00 48.24 H +HETATM12872 H2 HOH B1190 30.967 122.461 12.693 1.00 48.24 H +HETATM12873 O HOH B1191 13.660 136.873 -10.472 1.00 30.85 O +HETATM12874 H1 HOH B1191 14.424 137.466 -10.218 1.00 30.85 H +HETATM12875 H2 HOH B1191 13.855 136.433 -11.348 1.00 30.85 H +HETATM12876 O HOH B1192 -2.078 106.678 12.766 1.00 45.92 O +HETATM12877 H1 HOH B1192 -2.605 106.023 12.224 1.00 45.92 H +HETATM12878 H2 HOH B1192 -1.679 106.211 13.555 1.00 45.92 H +HETATM12879 O HOH B1193 29.653 115.297 -11.949 1.00 34.96 O +HETATM12880 H1 HOH B1193 29.148 116.158 -11.887 1.00 34.96 H +HETATM12881 H2 HOH B1193 29.466 114.864 -12.830 1.00 34.96 H +HETATM12882 O HOH B1194 16.556 122.201 31.674 1.00 44.96 O +HETATM12883 H1 HOH B1194 17.371 122.154 31.096 1.00 44.96 H +HETATM12884 H2 HOH B1194 15.795 122.581 31.148 1.00 44.96 H +HETATM12885 O HOH B1195 18.712 137.556 -20.888 1.00 51.22 O +HETATM12886 H1 HOH B1195 19.367 136.823 -20.705 1.00 51.22 H +HETATM12887 H2 HOH B1195 17.805 137.163 -21.037 1.00 51.22 H +HETATM12888 O HOH B1196 -5.145 139.254 16.665 1.00 57.27 O +HETATM12889 H1 HOH B1196 -5.137 138.323 16.297 1.00 57.27 H +HETATM12890 H2 HOH B1196 -4.567 139.841 16.098 1.00 57.27 H +HETATM12891 O HOH B1197 -3.360 119.886 3.521 1.00 50.29 O +HETATM12892 H1 HOH B1197 -3.018 120.671 4.038 1.00 50.29 H +HETATM12893 H2 HOH B1197 -4.053 119.409 4.060 1.00 50.29 H +HETATM12894 O HOH B1198 7.325 104.313 6.905 1.00 47.48 O +HETATM12895 H1 HOH B1198 7.964 104.514 7.648 1.00 47.48 H +HETATM12896 H2 HOH B1198 6.529 103.831 7.272 1.00 47.48 H +HETATM12897 O HOH B1199 22.304 137.353 -1.117 1.00 28.23 O +HETATM12898 H1 HOH B1199 22.274 137.959 -1.912 1.00 28.23 H +HETATM12899 H2 HOH B1199 22.586 137.873 -0.311 1.00 28.23 H +HETATM12900 O HOH B1200 -4.570 125.962 5.977 1.00 44.12 O +HETATM12901 H1 HOH B1200 -3.727 126.437 6.229 1.00 44.12 H +HETATM12902 H2 HOH B1200 -5.233 126.040 6.721 1.00 44.12 H +HETATM12903 O HOH B1201 -3.505 124.509 12.114 1.00 45.03 O +HETATM12904 H1 HOH B1201 -3.896 124.000 11.347 1.00 45.03 H +HETATM12905 H2 HOH B1201 -3.071 123.872 12.751 1.00 45.03 H +HETATM12906 O HOH B1202 -10.908 121.136 -15.273 1.00 40.81 O +HETATM12907 H1 HOH B1202 -10.082 120.725 -14.887 1.00 40.81 H +HETATM12908 H2 HOH B1202 -11.461 121.528 -14.539 1.00 40.81 H +HETATM12909 O HOH B1203 13.325 120.486 32.784 1.00 40.43 O +HETATM12910 H1 HOH B1203 13.826 121.349 32.725 1.00 40.43 H +HETATM12911 H2 HOH B1203 13.194 120.113 31.866 1.00 40.43 H +HETATM12912 O HOH B1204 34.221 125.629 12.983 1.00 38.79 O +HETATM12913 H1 HOH B1204 33.342 125.583 12.509 1.00 38.79 H +HETATM12914 H2 HOH B1204 34.818 126.281 12.515 1.00 38.79 H +HETATM12915 O HOH B1205 26.476 133.979 6.847 1.00 44.49 O +HETATM12916 H1 HOH B1205 26.817 134.861 7.172 1.00 44.49 H +HETATM12917 H2 HOH B1205 26.747 133.848 5.893 1.00 44.49 H +HETATM12918 O HOH B1206 31.049 135.447 21.057 1.00 57.70 O +HETATM12919 H1 HOH B1206 31.760 134.800 20.783 1.00 57.70 H +HETATM12920 H2 HOH B1206 30.256 135.347 20.456 1.00 57.70 H +HETATM12921 O HOH B1207 27.944 114.485 10.954 1.00 32.07 O +HETATM12922 H1 HOH B1207 27.888 115.483 10.974 1.00 32.07 H +HETATM12923 H2 HOH B1207 28.726 114.205 10.397 1.00 32.07 H +HETATM12924 O HOH B1208 24.784 111.652 9.415 1.00 38.85 O +HETATM12925 H1 HOH B1208 23.959 111.936 8.927 1.00 38.85 H +HETATM12926 H2 HOH B1208 25.523 111.497 8.760 1.00 38.85 H +HETATM12927 O HOH B1209 2.602 115.466 6.451 1.00 42.23 O +HETATM12928 H1 HOH B1209 2.066 115.357 7.289 1.00 42.23 H +HETATM12929 H2 HOH B1209 2.780 114.568 6.050 1.00 42.23 H +HETATM12930 O HOH B1210 19.635 135.562 5.919 1.00 39.77 O +HETATM12931 H1 HOH B1210 20.358 135.862 5.297 1.00 39.77 H +HETATM12932 H2 HOH B1210 19.894 134.690 6.336 1.00 39.77 H +HETATM12933 O HOH B1211 6.879 109.734 -4.393 1.00 53.44 O +HETATM12934 H1 HOH B1211 7.432 109.735 -5.226 1.00 53.44 H +HETATM12935 H2 HOH B1211 6.369 110.592 -4.330 1.00 53.44 H +HETATM12936 O HOH B1212 -4.418 133.003 16.458 1.00 46.27 O +HETATM12937 H1 HOH B1212 -4.218 133.860 15.982 1.00 46.27 H +HETATM12938 H2 HOH B1212 -5.285 133.088 16.948 1.00 46.27 H +HETATM12939 O HOH B1213 38.893 121.991 20.972 1.00 31.76 O +HETATM12940 H1 HOH B1213 38.864 121.028 21.239 1.00 31.76 H +HETATM12941 H2 HOH B1213 38.646 122.562 21.754 1.00 31.76 H +HETATM12942 O HOH B1214 13.403 108.184 11.345 1.00 38.59 O +HETATM12943 H1 HOH B1214 12.491 108.515 11.101 1.00 38.59 H +HETATM12944 H2 HOH B1214 13.859 108.859 11.925 1.00 38.59 H +HETATM12945 O HOH B1215 -8.838 130.741 -1.185 1.00 43.82 O +HETATM12946 H1 HOH B1215 -8.562 130.119 -1.918 1.00 43.82 H +HETATM12947 H2 HOH B1215 -8.048 131.275 -0.885 1.00 43.82 H +HETATM12948 O HOH B1216 14.761 134.658 31.081 1.00 42.97 O +HETATM12949 H1 HOH B1216 14.532 133.949 30.414 1.00 42.97 H +HETATM12950 H2 HOH B1216 15.289 134.255 31.828 1.00 42.97 H +HETATM12951 O HOH B1217 1.927 114.047 -18.723 1.00 50.11 O +HETATM12952 H1 HOH B1217 2.440 113.406 -18.152 1.00 50.11 H +HETATM12953 H2 HOH B1217 2.476 114.293 -19.522 1.00 50.11 H +HETATM12954 O HOH B1218 23.658 123.214 -18.952 1.00 39.77 O +HETATM12955 H1 HOH B1218 23.744 122.326 -19.405 1.00 39.77 H +HETATM12956 H2 HOH B1218 22.858 123.695 -19.311 1.00 39.77 H +HETATM12957 O HOH B1219 21.047 114.156 25.001 1.00 42.86 O +HETATM12958 H1 HOH B1219 21.323 115.099 24.817 1.00 42.86 H +HETATM12959 H2 HOH B1219 21.313 113.575 24.231 1.00 42.86 H +HETATM12960 O HOH B1220 42.445 128.167 21.008 1.00 52.15 O +HETATM12961 H1 HOH B1220 41.526 128.508 20.809 1.00 52.15 H +HETATM12962 H2 HOH B1220 43.110 128.646 20.434 1.00 52.15 H +HETATM12963 O HOH B1221 13.578 138.395 1.323 1.00 43.69 O +HETATM12964 H1 HOH B1221 12.594 138.412 1.499 1.00 43.69 H +HETATM12965 H2 HOH B1221 13.851 137.476 1.038 1.00 43.69 H +HETATM12966 O HOH B1222 -6.351 129.851 -23.676 1.00 45.30 O +HETATM12967 H1 HOH B1222 -5.442 129.767 -24.084 1.00 45.30 H +HETATM12968 H2 HOH B1222 -6.417 130.720 -23.186 1.00 45.30 H +HETATM12969 O HOH B1223 3.808 145.266 9.705 1.00 41.24 O +HETATM12970 H1 HOH B1223 3.961 144.786 8.841 1.00 41.24 H +HETATM12971 H2 HOH B1223 3.052 144.834 10.197 1.00 41.24 H +HETATM12972 O HOH B1224 -2.329 118.016 -12.732 1.00 43.21 O +HETATM12973 H1 HOH B1224 -2.020 118.936 -12.491 1.00 43.21 H +HETATM12974 H2 HOH B1224 -3.224 117.846 -12.320 1.00 43.21 H +HETATM12975 O HOH B1225 2.848 141.926 13.851 1.00 29.87 O +HETATM12976 H1 HOH B1225 2.679 140.956 13.673 1.00 29.87 H +HETATM12977 H2 HOH B1225 3.789 142.049 14.165 1.00 29.87 H +HETATM12978 O HOH B1226 23.124 122.795 28.568 1.00 37.52 O +HETATM12979 H1 HOH B1226 22.617 121.934 28.553 1.00 37.52 H +HETATM12980 H2 HOH B1226 23.327 123.047 29.514 1.00 37.52 H +HETATM12981 O HOH B1227 28.877 114.993 22.882 1.00 43.62 O +HETATM12982 H1 HOH B1227 28.943 114.345 22.123 1.00 43.62 H +HETATM12983 H2 HOH B1227 28.213 115.705 22.655 1.00 43.62 H +HETATM12984 O HOH B1228 -0.366 134.742 -21.166 1.00 41.12 O +HETATM12985 H1 HOH B1228 0.610 134.955 -21.131 1.00 41.12 H +HETATM12986 H2 HOH B1228 -0.893 135.591 -21.186 1.00 41.12 H +HETATM12987 O HOH B1229 9.810 142.804 6.522 1.00 40.89 O +HETATM12988 H1 HOH B1229 9.034 143.434 6.490 1.00 40.89 H +HETATM12989 H2 HOH B1229 10.632 143.303 6.799 1.00 40.89 H +HETATM12990 O HOH B1230 36.585 131.556 18.657 1.00 39.87 O +HETATM12991 H1 HOH B1230 35.840 132.179 18.420 1.00 39.87 H +HETATM12992 H2 HOH B1230 37.419 132.081 18.829 1.00 39.87 H +HETATM12993 O HOH B1231 -7.519 132.562 12.864 1.00 56.68 O +HETATM12994 H1 HOH B1231 -6.879 132.984 12.222 1.00 56.68 H +HETATM12995 H2 HOH B1231 -8.270 133.195 13.053 1.00 56.68 H +HETATM12996 O HOH B1232 -5.756 124.886 -20.420 1.00 36.85 O +HETATM12997 H1 HOH B1232 -5.409 125.824 -20.434 1.00 36.85 H +HETATM12998 H2 HOH B1232 -6.742 124.898 -20.253 1.00 36.85 H +HETATM12999 O HOH B1233 -1.309 119.858 18.671 1.00 46.82 O +HETATM13000 H1 HOH B1233 -1.295 120.850 18.793 1.00 46.82 H +HETATM13001 H2 HOH B1233 -2.235 119.515 18.829 1.00 46.82 H +HETATM13002 O HOH B1234 -9.331 137.861 -15.376 1.00 60.02 O +HETATM13003 H1 HOH B1234 -8.384 138.166 -15.278 1.00 60.02 H +HETATM13004 H2 HOH B1234 -9.653 137.487 -14.506 1.00 60.02 H +HETATM13005 O HOH B1235 21.450 114.521 -19.758 1.00 32.26 O +HETATM13006 H1 HOH B1235 20.631 114.685 -19.207 1.00 32.26 H +HETATM13007 H2 HOH B1235 21.236 114.664 -20.724 1.00 32.26 H +HETATM13008 O HOH B1236 33.631 131.925 21.909 1.00 53.29 O +HETATM13009 H1 HOH B1236 34.415 131.388 21.598 1.00 53.29 H +HETATM13010 H2 HOH B1236 33.723 132.113 22.887 1.00 53.29 H +HETATM13011 O HOH B1237 7.349 146.467 4.346 1.00 38.23 O +HETATM13012 H1 HOH B1237 7.857 146.791 5.144 1.00 38.23 H +HETATM13013 H2 HOH B1237 7.808 145.665 3.963 1.00 38.23 H +HETATM13014 O HOH B1238 -9.555 133.296 -14.393 1.00 35.31 O +HETATM13015 H1 HOH B1238 -9.208 132.873 -13.556 1.00 35.31 H +HETATM13016 H2 HOH B1238 -8.846 133.274 -15.097 1.00 35.31 H +HETATM13017 O HOH B1239 -0.910 116.087 -1.673 1.00 47.45 O +HETATM13018 H1 HOH B1239 -1.561 116.836 -1.550 1.00 47.45 H +HETATM13019 H2 HOH B1239 -1.006 115.434 -0.922 1.00 47.45 H +HETATM13020 O HOH B1240 -8.891 125.156 -1.768 1.00 54.65 O +HETATM13021 H1 HOH B1240 -9.081 124.276 -2.204 1.00 54.65 H +HETATM13022 H2 HOH B1240 -9.750 125.642 -1.608 1.00 54.65 H +HETATM13023 O HOH B1241 16.937 139.266 15.776 1.00 44.16 O +HETATM13024 H1 HOH B1241 16.112 138.745 15.557 1.00 44.16 H +HETATM13025 H2 HOH B1241 16.694 140.223 15.934 1.00 44.16 H +HETATM13026 O HOH B1242 -6.832 129.593 -19.173 1.00 45.68 O +HETATM13027 H1 HOH B1242 -6.859 130.074 -18.297 1.00 45.68 H +HETATM13028 H2 HOH B1242 -7.762 129.490 -19.526 1.00 45.68 H +HETATM13029 O HOH B1243 -11.975 125.886 -17.385 1.00 57.89 O +HETATM13030 H1 HOH B1243 -11.235 126.292 -16.848 1.00 57.89 H +HETATM13031 H2 HOH B1243 -12.624 126.600 -17.651 1.00 57.89 H +HETATM13032 O HOH B1244 29.287 122.492 -14.712 1.00 36.76 O +HETATM13033 H1 HOH B1244 29.506 122.087 -13.824 1.00 36.76 H +HETATM13034 H2 HOH B1244 29.766 123.365 -14.807 1.00 36.76 H +HETATM13035 O HOH B1245 29.706 115.337 -14.730 1.00 53.69 O +HETATM13036 H1 HOH B1245 30.418 116.007 -14.941 1.00 53.69 H +HETATM13037 H2 HOH B1245 30.028 114.422 -14.971 1.00 53.69 H +HETATM13038 O HOH B1246 -3.015 108.153 16.112 1.00 47.05 O +HETATM13039 H1 HOH B1246 -3.782 108.468 16.670 1.00 47.05 H +HETATM13040 H2 HOH B1246 -2.987 107.153 16.118 1.00 47.05 H +HETATM13041 O HOH B1247 -8.209 122.521 -0.677 1.00 57.12 O +HETATM13042 H1 HOH B1247 -7.219 122.457 -0.553 1.00 57.12 H +HETATM13043 H2 HOH B1247 -8.512 121.809 -1.310 1.00 57.12 H +HETATM13044 O HOH B1248 -12.594 130.748 -14.892 1.00 51.41 O +HETATM13045 H1 HOH B1248 -12.099 129.880 -14.931 1.00 51.41 H +HETATM13046 H2 HOH B1248 -11.944 131.498 -14.766 1.00 51.41 H +HETATM13047 O HOH B1249 8.065 130.704 23.237 1.00 35.47 O +HETATM13048 H1 HOH B1249 8.961 130.440 22.880 1.00 35.47 H +HETATM13049 H2 HOH B1249 7.901 131.671 23.042 1.00 35.47 H +HETATM13050 O HOH B1250 21.662 136.398 4.179 1.00 33.36 O +HETATM13051 H1 HOH B1250 22.040 136.867 3.381 1.00 33.36 H +HETATM13052 H2 HOH B1250 21.982 135.451 4.193 1.00 33.36 H +HETATM13053 O HOH B1251 7.511 111.009 19.554 1.00 41.51 O +HETATM13054 H1 HOH B1251 8.034 111.465 20.274 1.00 41.51 H +HETATM13055 H2 HOH B1251 7.186 110.125 19.888 1.00 41.51 H +HETATM13056 O HOH B1252 16.628 136.994 3.152 1.00 38.91 O +HETATM13057 H1 HOH B1252 15.996 137.279 3.872 1.00 38.91 H +HETATM13058 H2 HOH B1252 16.112 136.758 2.328 1.00 38.91 H +HETATM13059 O HOH B1253 11.649 136.638 -8.845 1.00 43.60 O +HETATM13060 H1 HOH B1253 11.569 137.570 -9.197 1.00 43.60 H +HETATM13061 H2 HOH B1253 12.279 136.117 -9.420 1.00 43.60 H +HETATM13062 O HOH B1254 28.517 136.160 20.279 1.00 40.11 O +HETATM13063 H1 HOH B1254 28.268 135.356 19.739 1.00 40.11 H +HETATM13064 H2 HOH B1254 28.484 136.974 19.699 1.00 40.11 H +HETATM13065 O HOH B1255 14.953 136.245 0.529 1.00 46.01 O +HETATM13066 H1 HOH B1255 14.819 135.255 0.489 1.00 46.01 H +HETATM13067 H2 HOH B1255 15.453 136.546 -0.284 1.00 46.01 H +HETATM13068 O HOH B1256 4.604 145.414 4.913 1.00 43.91 O +HETATM13069 H1 HOH B1256 4.116 145.589 4.058 1.00 43.91 H +HETATM13070 H2 HOH B1256 4.716 146.271 5.416 1.00 43.91 H +HETATM13071 O HOH B1257 12.480 98.826 10.578 1.00 39.91 O +HETATM13072 H1 HOH B1257 11.884 99.535 10.956 1.00 39.91 H +HETATM13073 H2 HOH B1257 12.253 98.678 9.616 1.00 39.91 H +HETATM13074 O HOH B1258 27.390 110.870 9.377 1.00 45.09 O +HETATM13075 H1 HOH B1258 27.418 111.298 10.280 1.00 45.09 H +HETATM13076 H2 HOH B1258 28.044 111.324 8.772 1.00 45.09 H +HETATM13077 O HOH B1259 12.388 133.373 18.866 1.00 38.93 O +HETATM13078 H1 HOH B1259 13.100 132.933 19.414 1.00 38.93 H +HETATM13079 H2 HOH B1259 12.362 134.350 19.076 1.00 38.93 H +HETATM13080 O HOH B1260 7.001 112.281 2.532 1.00 40.66 O +HETATM13081 H1 HOH B1260 7.978 112.115 2.402 1.00 40.66 H +HETATM13082 H2 HOH B1260 6.598 111.521 3.042 1.00 40.66 H +HETATM13083 O HOH B1261 -7.498 127.492 -22.831 1.00 44.33 O +HETATM13084 H1 HOH B1261 -7.081 128.348 -23.136 1.00 44.33 H +HETATM13085 H2 HOH B1261 -8.151 127.175 -23.519 1.00 44.33 H +HETATM13086 O HOH B1262 0.625 143.699 -17.368 1.00 38.07 O +HETATM13087 H1 HOH B1262 0.877 142.911 -16.805 1.00 38.07 H +HETATM13088 H2 HOH B1262 -0.309 143.582 -17.706 1.00 38.07 H +HETATM13089 O HOH B1263 9.406 118.669 34.713 1.00 36.23 O +HETATM13090 H1 HOH B1263 9.883 119.511 34.464 1.00 36.23 H +HETATM13091 H2 HOH B1263 10.012 117.886 34.570 1.00 36.23 H +HETATM13092 O HOH B1264 14.032 134.747 21.900 1.00 35.12 O +HETATM13093 H1 HOH B1264 14.741 135.003 21.243 1.00 35.12 H +HETATM13094 H2 HOH B1264 14.415 134.752 22.824 1.00 35.12 H +HETATM13095 O HOH B1265 38.813 119.396 21.697 1.00 41.75 O +HETATM13096 H1 HOH B1265 39.571 119.053 21.142 1.00 41.75 H +HETATM13097 H2 HOH B1265 38.019 118.799 21.583 1.00 41.75 H +HETATM13098 O HOH B1266 -0.907 137.736 -21.188 1.00 47.70 O +HETATM13099 H1 HOH B1266 -1.422 137.976 -22.011 1.00 47.70 H +HETATM13100 H2 HOH B1266 -0.039 138.232 -21.183 1.00 47.70 H +HETATM13101 O HOH B1267 -2.122 116.334 12.121 1.00 44.88 O +HETATM13102 H1 HOH B1267 -1.455 116.105 12.830 1.00 44.88 H +HETATM13103 H2 HOH B1267 -2.962 115.813 12.273 1.00 44.88 H +HETATM13104 O HOH B1268 -3.374 115.430 -23.380 1.00 47.26 O +HETATM13105 H1 HOH B1268 -4.343 115.184 -23.406 1.00 47.26 H +HETATM13106 H2 HOH B1268 -2.879 114.775 -22.809 1.00 47.26 H +HETATM13107 O HOH B1269 2.296 116.940 4.266 1.00 44.82 O +HETATM13108 H1 HOH B1269 2.410 116.384 5.089 1.00 44.82 H +HETATM13109 H2 HOH B1269 3.015 117.634 4.230 1.00 44.82 H +HETATM13110 O HOH B1270 -5.655 130.227 12.884 1.00 46.00 O +HETATM13111 H1 HOH B1270 -6.280 131.008 12.878 1.00 46.00 H +HETATM13112 H2 HOH B1270 -4.965 130.346 12.169 1.00 46.00 H +HETATM13113 O HOH B1271 14.800 137.309 -20.265 1.00 38.98 O +HETATM13114 H1 HOH B1271 14.369 138.183 -20.039 1.00 38.98 H +HETATM13115 H2 HOH B1271 15.192 137.357 -21.183 1.00 38.98 H +HETATM13116 O HOH B1272 17.195 101.565 0.759 1.00 47.86 O +HETATM13117 H1 HOH B1272 16.837 101.680 1.686 1.00 47.86 H +HETATM13118 H2 HOH B1272 18.072 102.038 0.679 1.00 47.86 H +HETATM13119 O HOH B1273 16.176 139.901 6.315 1.00 44.41 O +HETATM13120 H1 HOH B1273 15.897 139.710 7.256 1.00 44.41 H +HETATM13121 H2 HOH B1273 15.741 139.246 5.698 1.00 44.41 H +HETATM13122 O HOH B1274 -9.157 114.262 -27.548 1.00 44.56 O +HETATM13123 H1 HOH B1274 -9.003 113.289 -27.720 1.00 44.56 H +HETATM13124 H2 HOH B1274 -8.278 114.721 -27.415 1.00 44.56 H +HETATM13125 O HOH B1275 41.451 122.674 22.366 1.00 50.36 O +HETATM13126 H1 HOH B1275 42.170 123.321 22.113 1.00 50.36 H +HETATM13127 H2 HOH B1275 40.927 123.041 23.135 1.00 50.36 H +HETATM13128 O HOH B1276 18.448 112.911 20.846 1.00 46.16 O +HETATM13129 H1 HOH B1276 18.912 112.105 21.214 1.00 46.16 H +HETATM13130 H2 HOH B1276 18.889 113.189 19.992 1.00 46.16 H +HETATM13131 O HOH B1277 13.614 134.995 -8.200 1.00 45.34 O +HETATM13132 H1 HOH B1277 14.196 134.245 -8.516 1.00 45.34 H +HETATM13133 H2 HOH B1277 14.086 135.501 -7.479 1.00 45.34 H +HETATM13134 O HOH B1278 20.953 105.083 -3.889 1.00 40.88 O +HETATM13135 H1 HOH B1278 21.555 104.896 -4.666 1.00 40.88 H +HETATM13136 H2 HOH B1278 20.002 104.938 -4.163 1.00 40.88 H +HETATM13137 O HOH B1279 -3.746 144.651 4.998 1.00 47.42 O +HETATM13138 H1 HOH B1279 -3.114 143.880 4.923 1.00 47.42 H +HETATM13139 H2 HOH B1279 -3.807 144.940 5.953 1.00 47.42 H +HETATM13140 O HOH B1280 -4.408 141.213 3.759 1.00 48.39 O +HETATM13141 H1 HOH B1280 -3.533 141.559 4.097 1.00 48.39 H +HETATM13142 H2 HOH B1280 -4.264 140.726 2.897 1.00 48.39 H +HETATM13143 O HOH B1281 -13.923 127.933 -7.710 1.00 45.31 O +HETATM13144 H1 HOH B1281 -14.725 127.485 -8.105 1.00 45.31 H +HETATM13145 H2 HOH B1281 -14.014 127.963 -6.715 1.00 45.31 H +HETATM13146 O HOH B1282 22.974 138.016 1.414 1.00 48.34 O +HETATM13147 H1 HOH B1282 23.969 137.915 1.408 1.00 48.34 H +HETATM13148 H2 HOH B1282 22.739 138.987 1.453 1.00 48.34 H +HETATM13149 O HOH B1283 25.244 111.505 -17.177 1.00 47.17 O +HETATM13150 H1 HOH B1283 24.769 111.505 -16.297 1.00 47.17 H +HETATM13151 H2 HOH B1283 24.998 112.327 -17.690 1.00 47.17 H +HETATM13152 O HOH B1284 21.285 125.071 27.268 1.00 44.63 O +HETATM13153 H1 HOH B1284 20.843 124.432 26.639 1.00 44.63 H +HETATM13154 H2 HOH B1284 22.277 125.022 27.151 1.00 44.63 H +HETATM13155 O HOH B1285 5.324 114.345 3.816 1.00 46.85 O +HETATM13156 H1 HOH B1285 5.561 115.260 4.142 1.00 46.85 H +HETATM13157 H2 HOH B1285 6.136 113.907 3.431 1.00 46.85 H +HETATM13158 O HOH B1286 24.178 108.176 -9.431 1.00 50.18 O +HETATM13159 H1 HOH B1286 23.235 108.467 -9.593 1.00 50.18 H +HETATM13160 H2 HOH B1286 24.682 108.914 -8.982 1.00 50.18 H +HETATM13161 O HOH B1287 32.384 112.386 -13.152 1.00 50.49 O +HETATM13162 H1 HOH B1287 32.095 112.757 -12.269 1.00 50.49 H +HETATM13163 H2 HOH B1287 33.364 112.541 -13.274 1.00 50.49 H +HETATM13164 O HOH B1288 0.554 124.111 3.815 1.00 46.94 O +HETATM13165 H1 HOH B1288 0.497 123.209 4.244 1.00 46.94 H +HETATM13166 H2 HOH B1288 -0.022 124.128 2.998 1.00 46.94 H +HETATM13167 O HOH B1289 30.777 123.709 26.843 1.00 50.13 O +HETATM13168 H1 HOH B1289 30.126 123.128 26.355 1.00 50.13 H +HETATM13169 H2 HOH B1289 30.279 124.360 27.416 1.00 50.13 H +HETATM13170 O HOH B1290 4.080 133.662 25.083 1.00 46.66 O +HETATM13171 H1 HOH B1290 3.988 134.630 25.316 1.00 46.66 H +HETATM13172 H2 HOH B1290 3.175 133.274 24.908 1.00 46.66 H +HETATM13173 O HOH B1291 16.122 106.749 -12.143 1.00 49.00 O +HETATM13174 H1 HOH B1291 15.677 106.796 -11.249 1.00 49.00 H +HETATM13175 H2 HOH B1291 16.568 105.860 -12.246 1.00 49.00 H +HETATM13176 O HOH B1292 15.936 135.435 20.142 1.00 47.28 O +HETATM13177 H1 HOH B1292 15.654 135.596 19.197 1.00 47.28 H +HETATM13178 H2 HOH B1292 16.853 135.036 20.154 1.00 47.28 H +HETATM13179 O HOH B1293 20.310 115.082 -22.699 1.00 49.24 O +HETATM13180 H1 HOH B1293 20.488 116.034 -22.951 1.00 49.24 H +HETATM13181 H2 HOH B1293 19.324 114.913 -22.713 1.00 49.24 H +HETATM13182 O HOH B1294 23.777 130.154 -19.537 1.00 49.80 O +HETATM13183 H1 HOH B1294 23.111 130.613 -20.126 1.00 49.80 H +HETATM13184 H2 HOH B1294 24.488 129.736 -20.102 1.00 49.80 H +HETATM13185 O HOH B1295 41.122 118.347 20.001 1.00 48.47 O +HETATM13186 H1 HOH B1295 40.690 118.758 19.199 1.00 48.47 H +HETATM13187 H2 HOH B1295 42.012 117.971 19.745 1.00 48.47 H +HETATM13188 O HOH B1296 3.866 147.428 -16.288 1.00 46.09 O +HETATM13189 H1 HOH B1296 4.392 146.629 -15.996 1.00 46.09 H +HETATM13190 H2 HOH B1296 3.339 147.199 -17.106 1.00 46.09 H +CONECT 1 4 5 6 +CONECT 4 1 +CONECT 5 1 +CONECT 6 1 +CONECT 5253 5268 +CONECT 5275 5278 5279 5280 +CONECT 5278 5275 +CONECT 5279 5275 +CONECT 5280 5275 +CONECT1160511623 +CONECT12311 9695 9696 971310700 +CONECT116301163111632 +CONECT1163111630 +CONECT1163211630 +CONECT116331163411635 +CONECT1163411633 +CONECT1163511633 +CONECT116361163711638 +CONECT1163711636 +CONECT1163811636 +CONECT116391164011641 +CONECT1164011639 +CONECT1164111639 +CONECT116421164311644 +CONECT1164311642 +CONECT1164411642 +CONECT116451164611647 +CONECT1164611645 +CONECT1164711645 +CONECT116481164911650 +CONECT1164911648 +CONECT1165011648 +CONECT116511165211653 +CONECT1165211651 +CONECT1165311651 +CONECT116541165511656 +CONECT1165511654 +CONECT1165611654 +CONECT116571165811659 +CONECT1165811657 +CONECT1165911657 +CONECT116601166111662 +CONECT1166111660 +CONECT1166211660 +CONECT116631166411665 +CONECT1166411663 +CONECT1166511663 +CONECT116661166711668 +CONECT1166711666 +CONECT1166811666 +CONECT116691167011671 +CONECT1167011669 +CONECT1167111669 +CONECT116721167311674 +CONECT1167311672 +CONECT1167411672 +CONECT116751167611677 +CONECT1167611675 +CONECT1167711675 +CONECT116781167911680 +CONECT1167911678 +CONECT1168011678 +CONECT116811168211683 +CONECT1168211681 +CONECT1168311681 +CONECT116841168511686 +CONECT1168511684 +CONECT1168611684 +CONECT116871168811689 +CONECT1168811687 +CONECT1168911687 +CONECT116901169111692 +CONECT1169111690 +CONECT1169211690 +CONECT116931169411695 +CONECT1169411693 +CONECT1169511693 +CONECT116961169711698 +CONECT1169711696 +CONECT1169811696 +CONECT116991170011701 +CONECT1170011699 +CONECT1170111699 +CONECT117021170311704 +CONECT1170311702 +CONECT1170411702 +CONECT117051170611707 +CONECT1170611705 +CONECT1170711705 +CONECT117081170911710 +CONECT1170911708 +CONECT1171011708 +CONECT117111171211713 +CONECT1171211711 +CONECT1171311711 +CONECT117141171511716 +CONECT1171511714 +CONECT1171611714 +CONECT117171171811719 +CONECT1171811717 +CONECT1171911717 +CONECT117201172111722 +CONECT1172111720 +CONECT1172211720 +CONECT117231172411725 +CONECT1172411723 +CONECT1172511723 +CONECT117261172711728 +CONECT1172711726 +CONECT1172811726 +CONECT117291173011731 +CONECT1173011729 +CONECT1173111729 +CONECT117321173311734 +CONECT1173311732 +CONECT1173411732 +CONECT117351173611737 +CONECT1173611735 +CONECT1173711735 +CONECT117381173911740 +CONECT1173911738 +CONECT1174011738 +CONECT117411174211743 +CONECT1174211741 +CONECT1174311741 +CONECT117441174511746 +CONECT1174511744 +CONECT1174611744 +CONECT117471174811749 +CONECT1174811747 +CONECT1174911747 +CONECT117501175111752 +CONECT1175111750 +CONECT1175211750 +CONECT117531175411755 +CONECT1175411753 +CONECT1175511753 +CONECT117561175711758 +CONECT1175711756 +CONECT1175811756 +CONECT117591176011761 +CONECT1176011759 +CONECT1176111759 +CONECT117621176311764 +CONECT1176311762 +CONECT1176411762 +CONECT117651176611767 +CONECT1176611765 +CONECT1176711765 +CONECT117681176911770 +CONECT1176911768 +CONECT1177011768 +CONECT117711177211773 +CONECT1177211771 +CONECT1177311771 +CONECT117741177511776 +CONECT1177511774 +CONECT1177611774 +CONECT117771177811779 +CONECT1177811777 +CONECT1177911777 +CONECT117801178111782 +CONECT1178111780 +CONECT1178211780 +CONECT117831178411785 +CONECT1178411783 +CONECT1178511783 +CONECT117861178711788 +CONECT1178711786 +CONECT1178811786 +CONECT117891179011791 +CONECT1179011789 +CONECT1179111789 +CONECT117921179311794 +CONECT1179311792 +CONECT1179411792 +CONECT117951179611797 +CONECT1179611795 +CONECT1179711795 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0000000..abfdee3 --- /dev/null +++ b/openfe_benchmarks/data/data_generation/charge_offmol.py @@ -0,0 +1,182 @@ +""" +Generate partial charges for a set of molecules using OpenFE's bulk charge assignment utility will also add software version metadata to each ligand +as an sdf property. +""" + +import pathlib +import os + +from openfe.protocols.openmm_utils.charge_generation import ( + assign_offmol_partial_charges, +) +import click +from rdkit import Chem +from gufe import SmallMoleculeComponent +import openfe +from openff import toolkit +from openff.utilities.provenance import get_ambertools_version +import json +import tqdm + + +@click.command() +@click.option( + "--input-path", + type=click.Path(exists=True, dir_okay=False, path_type=pathlib.Path), + required=True, + help="Path to the input SDF file containing the molecules to be charged.", +) +@click.option( + "--output-dir", + type=click.Path( + dir_okay=True, file_okay=False, exists=True, path_type=pathlib.Path + ), + required=True, + help="Path to the output folder the SDF file with charged molecules will be saved.", +) +@click.option( + "--charge-method", + type=click.Choice(["am1bcc_at", "am1bccelf10_oe", "nagl_off", "am1bcc_oe"]), + default="am1bcc_at", + help="The method to use for charge assignment.", +) +@click.option( + "--nagl-model", + type=str, + default=None, + help="Path to the NAGL model to use for charge assignment when using the 'nagl_off' method if None the latest model will be used.", +) +@click.option( + "--n-cores", + type=int, + default=1, + help="Number of CPU cores to use for parallel processing.", +) +def main( + input_path: pathlib.Path, + output_dir: pathlib.Path, + charge_method: str, + nagl_model: None | str, + n_cores: int, +): + """Generate partial charges for a set of molecules using OpenFE's bulk charge assignment utility. + + Parameters + ---------- + input_path : pathlib.Path + Path to the input SDF file containing the molecules. + output_dir : pathlib.Path + Directory where the output SDF file with charged molecules will be saved. + charge_method : str + The method to use for charge assignment. Options include: + + - 'am1bcc_at': AM1BCC applied with AmberTools on the input conformer + - 'am1bcc_oe': AM1BCC applied with OpenEye Toolkit on the input conformer + - 'am1bccelf10_oe': AM1BCC Elf10 applied with OpenEye Toolkit using 500 conformers + - 'nagl_off': NAGL charges applied with OpenFF-Toolkit + + n_cores : int + Number of CPU cores to use for parallel processing. + nagl_model : str + Model *.pt file (i.e., "openff-gnn-am1bcc-1.0.0.pt"), optionally with path, for the NAGL model to use for + charge assignment when using the ``'nagl'`` method. If None the latest model will be used. See + [OpenFF NAGL](https://docs.openforcefield.org/projects/nagl-models) documentation for more detail. + + Notes + ----- + - Antechamber will be used for the am1bcc_at charge assignment method, the charges are calculated at the input geometry. + - OpenEye toolkit is required for am1bccelf10_oe charge assignment method and am1bcc_oe. + - The output SDF file will include software version metadata as a property for each ligand and will be named _.sdf + + """ + off_mols = toolkit.Molecule.from_file( + input_path.as_posix(), allow_undefined_stereo=True + ) + # Handle both single molecule and multiple molecules + if not isinstance(off_mols, list): + off_mols = [off_mols] + mols = [SmallMoleculeComponent.from_openff(mol) for mol in off_mols] + # construct the toolkit backend + method_to_backend = { + "am1bcc_at": "ambertools", + "am1bcc_oe": "openeye", + "am1bccelf10_oe": "openeye", + "nagl_off": "rdkit", + } + backend = method_to_backend[charge_method] + + # convert the charge method to the expected format for openff + openff_charge_method = charge_method.split("_")[0] + + # we need to generate conformers for am1bccelf10_oe or use the input conformer for other methods which is the None case + generate_n_conformers = None if charge_method != "am1bccelf10_oe" else 500 + + charged_ligands = [] + failed_molecules = [] + for mol in tqdm.tqdm(mols, desc="Generating charges", ncols=80): + # water partial charges should come from a specific water model + if mol.to_openff().to_inchikey(fixed_hydrogens=True) == "XLYOFNOQVPJJNP-UHFFFAOYNA-N": # water + continue + + charged_molecule = assign_offmol_partial_charges( + offmol=mol.to_openff(), + overwrite=True, + method=openff_charge_method, + toolkit_backend=backend, + generate_n_conformers=generate_n_conformers, + nagl_model=nagl_model, + ) + + charged_ligands.append(SmallMoleculeComponent.from_openff(charged_molecule)) + + # for each ligand stamp the provenance info as sdf property and write to output sdf + # generate the provenance info + provenance = { + "openfe_version": openfe.__version__, + "openff_toolkit_version": toolkit.__version__, + "rdkit_version": Chem.rdBase.rdkitVersion, + "charge_method": charge_method, + } + if backend == "ambertools": + provenance["ambertools_version"] = get_ambertools_version() + + elif backend == "openeye": + from openeye import oeomega, oequacpac + + provenance["oeomega"] = str(oeomega.OEOmegaGetVersion()) + provenance["oequacpac"] = str(oequacpac.OE_OEQUACPAC_VERSION) + elif backend == "rdkit" and charge_method == "nagl_off": + from openff import nagl + from openff.nagl_models import get_models_by_type + + if nagl_model is None: + # get the latest production nagl model + nagl_model = get_models_by_type( + model_type="am1bcc", production_only=True + )[-1].name + else: + nagl_model = os.path.split(nagl_model) + provenance["nagl_version"] = str(nagl.__version__) + provenance["nagl_model"] = nagl_model + + # construct the output path + method_to_name = { + "am1bcc_at": "antechamber_am1bcc", + "am1bccelf10_oe": "openeye_am1bccelf10", + "nagl_off": f"nagl_{nagl_model}", + "am1bcc_oe": "openeye_am1bcc", + } + + output_path = ( + output_dir / f"{input_path.stem}_{method_to_name[charge_method]}.sdf" + ) + with Chem.SDWriter(str(output_path)) as writer: + for ligand in charged_ligands: + rdkit_mol = ligand.to_rdkit() + # add software version metadata as sdf property + rdkit_mol.SetProp("charge_provenance", json.dumps(provenance)) + writer.write(rdkit_mol) + + +if __name__ == "__main__": + main() diff --git a/openfe_benchmarks/data/data_generation/generate_ross_ref_data.py b/openfe_benchmarks/data/data_generation/generate_ross_ref_data.py new file mode 100644 index 0000000..b1fe89f --- /dev/null +++ b/openfe_benchmarks/data/data_generation/generate_ross_ref_data.py @@ -0,0 +1,76 @@ +""" +For the given Schrodinger benchmark system extract the reference data for the ligands + and save it to the output directory. + +The reference data will be saved to JSON using gufe which allows us to include units. The structure is a dictionary +where each key is the ligand name and the value is a dict of the experimental DG and the associated uncertainty. +""" +import click +import pathlib +from gufe.tokenization import JSON_HANDLER +import pandas as pd +from openff.units import unit +import json +from openff.toolkit import Molecule + + +@click.command() +@click.option("--system-group", type=str, required=True, help="The system group of system names used to determine the edges, i.e., JACS/MERCK.") +@click.option("--system-name", type=str, required=True, help="The system name used to determine the edges, i.e., TYK2.") +@click.option("--csv-name", type=str, required=True, help="The name of the exp ligand csv file in the Schrodinger repo.") +@click.option("--out-dir", type=click.Path(exists=True, dir_okay=True, file_okay=False, path_type=pathlib.Path), required=True, help="The output dir name") +@click.option("--input-sdf", type=click.Path(exists=True, dir_okay=False, file_okay=True, path_type=pathlib.Path), required=False, help="The input sdf file containing the ligands from this network, used to extract identifiers.") +def main(system_group: str, system_name: str, csv_name: str, out_dir: pathlib.Path, input_sdf: pathlib.Path): + """ + Extract the reference data for the given industry benchmark system. + + Parameters + ---------- + system_group : str + The industry system group ie JACS/MERCK used to find the reference data. + system_name : str + The industry system name ie TYK2 used to find the reference data. + csv_name: str + The name of the exp ligand csv file in the Schrodinger repo. + out_dir : pathlib.Path + The output dir name where the extracted reference data will be saved. + input_sdf + The input sdf file containing the ligands from this network, used to extract identifiers which will be stored in the reference data. + """ + # tag each entry with the source, currently we link to the aggregated reference data but this should be changed if we refine it in future. + ross_et_al_doi = "https://doi.org/10.1038/s42004-023-01019-9" + # load the ref data from the industry benchmark results stored on github + csv_file = f"https://raw.githubusercontent.com/schrodinger/public_binding_free_energy_benchmark/refs/heads/main/21_4_results/ligand_predictions/{system_group}/{csv_name}" + ref_dg_data = pd.read_csv(csv_file) + print(f"Extracted reference data for system group {system_group} and system name {system_name} with {len(ref_dg_data)} ligands.") + # load the ligands with openff toolkit to extract the identifiers + molecules = Molecule.from_file(input_sdf.as_posix(), allow_undefined_stereo=True) + molecule_by_name = {molecule.name: molecule for molecule in molecules} + ref_dataset = {} + for _, row in ref_dg_data.iterrows(): + ligand_name = row["Ligand name"] + if ligand_name not in molecule_by_name: + # this ligand was not included in the benchmark dataset so skip it + continue + ligand_data = { + "dg": row["Exp. dG (kcal/mol)"] * unit.kilocalories_per_mole, + "canonical_smiles": molecule_by_name[ligand_name].to_smiles(isomeric=True), + # do we need to be tautomer specific? + "inchikey": molecule_by_name[ligand_name].to_inchikey(fixed_hydrogens=True), + "reference": ross_et_al_doi, + } + value = row.get("Exp. dG error (kcal/mol)") + if pd.notna(value): + dg_uncertainty = row["Exp. dG error (kcal/mol)"] * unit.kilocalories_per_mole + if dg_uncertainty.m != 0.0: + ligand_data["uncertainty"] = dg_uncertainty + ref_dataset[ligand_name] = ligand_data + + # save the extracted reference data to the output directory as json using gufe serialization + out_file = out_dir / "experimental_binding_data.json" + with open(out_file, "w") as f: + json.dump(ref_dataset, f, indent=4, cls=JSON_HANDLER.encoder) + print(f"Saved extracted reference data to {out_file}") + +if __name__ == "__main__": + main() \ No newline at end of file diff --git a/openfe_benchmarks/tests/test_benchmark_index.py b/openfe_benchmarks/tests/test_benchmark_index.py index 858cdfe..003d0db 100644 --- a/openfe_benchmarks/tests/test_benchmark_index.py +++ b/openfe_benchmarks/tests/test_benchmark_index.py @@ -28,6 +28,7 @@ ("bfe", ["experimental_binding_data.json"], []), ("sfe", ["experimental_solvation_free_energy_data.json"], ["mnsol_neutral"]), ("ross", [], []), + ("industry_benchmark", [], []), ]