diff --git a/CHANGELOG.md b/CHANGELOG.md index 3eac4ff4e1..a5fe66e933 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,6 @@ # Changelog +- 2026-04-15: Implemented separate control of separation and randome rotations of molecules - Issue #1491 - 2026-04-15: Solve bug related to workflow restarting without analysis folder - Issue #1518 - 2026-04-14: Increase max number of timesteps in openmm module - BioExcel forum 6072 - 2026-04-12: Add possibility to run MD (mdref, mdscoring) without solvent - Issue #1512 diff --git a/examples/docking-protein-glycan/docking-flexref-protein-glycan-full.cfg b/examples/docking-protein-glycan/docking-flexref-protein-glycan-full.cfg index 84cf4561a5..cd9fb5fb26 100644 --- a/examples/docking-protein-glycan/docking-flexref-protein-glycan-full.cfg +++ b/examples/docking-protein-glycan/docking-flexref-protein-glycan-full.cfg @@ -35,7 +35,8 @@ tolerance = 5 # generate 500 models sampling_factor = 500 # randomize starting orientations -randorien = true +randrot = true +separate = true # increase the number of steps by a factor 10 to allow # for docking during the flexible refinement mdsteps_rigid = 5000 diff --git a/examples/docking-protein-glycan/docking-flexref-protein-glycan-test.cfg b/examples/docking-protein-glycan/docking-flexref-protein-glycan-test.cfg index 86d062148a..7b3a5561ba 100644 --- a/examples/docking-protein-glycan/docking-flexref-protein-glycan-test.cfg +++ b/examples/docking-protein-glycan/docking-flexref-protein-glycan-test.cfg @@ -30,7 +30,8 @@ tolerance = 20 # generate 5 models sampling_factor = 5 # randomize starting orientations -randorien = true +randrot = true +separate = true # increase the number of steps by a factor 10 to allow # for docking during the flexible refinement mdsteps_rigid = 5000 diff --git a/examples/docking-protein-ligand/data/neuraminidase-2BAT.pdb b/examples/docking-protein-ligand/data/neuraminidase-2BAT.pdb index 15587dedfb..d449c23418 100644 --- a/examples/docking-protein-ligand/data/neuraminidase-2BAT.pdb +++ b/examples/docking-protein-ligand/data/neuraminidase-2BAT.pdb @@ -1,3023 +1,3024 @@ -ATOM 1 N VAL A 82 78.157 78.171 32.436 1.00 46.67 A N -ATOM 2 CA VAL A 82 78.442 78.998 33.594 1.00 46.67 A C -ATOM 3 C VAL A 82 79.558 79.832 33.006 1.00 46.39 A C -ATOM 4 O VAL A 82 80.351 79.289 32.234 1.00 47.14 A O -ATOM 5 CB VAL A 82 78.919 78.106 34.733 1.00 46.90 A C -ATOM 6 CG1 VAL A 82 79.274 78.906 35.964 1.00 47.69 A C -ATOM 7 CG2 VAL A 82 77.771 77.206 35.137 1.00 47.86 A C -ATOM 8 N GLU A 83 79.621 81.091 33.411 1.00 45.16 A N -ATOM 9 CA GLU A 83 80.563 82.058 32.904 1.00 42.65 A C -ATOM 10 C GLU A 83 81.111 82.824 34.075 1.00 39.46 A C -ATOM 11 O GLU A 83 80.550 82.776 35.170 1.00 40.30 A O -ATOM 12 CB GLU A 83 79.734 82.846 32.002 1.00 44.79 A C -ATOM 13 CG GLU A 83 80.201 83.932 31.107 1.00 48.80 A C -ATOM 14 CD GLU A 83 79.049 84.129 30.124 1.00 51.21 A C -ATOM 15 OE1 GLU A 83 77.974 84.621 30.518 1.00 52.16 A O -ATOM 16 OE2 GLU A 83 79.229 83.733 28.965 1.00 52.99 A O1- -ATOM 17 N TYR A 84 82.201 83.532 33.850 1.00 35.18 A N -ATOM 18 CA TYR A 84 82.815 84.288 34.910 1.00 30.30 A C -ATOM 19 C TYR A 84 82.135 85.627 35.167 1.00 29.16 A C -ATOM 20 O TYR A 84 81.645 86.303 34.249 1.00 27.30 A O -ATOM 21 CB TYR A 84 84.234 84.504 34.537 1.00 28.68 A C -ATOM 22 CG TYR A 84 85.172 83.337 34.698 1.00 26.30 A C -ATOM 23 CD1 TYR A 84 85.301 82.690 35.907 1.00 25.85 A C -ATOM 24 CD2 TYR A 84 85.984 83.012 33.652 1.00 25.41 A C -ATOM 25 CE1 TYR A 84 86.263 81.733 36.079 1.00 24.94 A C -ATOM 26 CE2 TYR A 84 86.946 82.051 33.824 1.00 25.57 A C -ATOM 27 CZ TYR A 84 87.077 81.432 35.032 1.00 25.24 A C -ATOM 28 OH TYR A 84 88.076 80.513 35.185 1.00 26.25 A O -ATOM 29 N ARG A 85 82.095 86.024 36.434 1.00 26.80 A N -ATOM 30 CA ARG A 85 81.491 87.287 36.781 1.00 26.22 A C -ATOM 31 C ARG A 85 82.446 88.354 36.323 1.00 27.88 A C -ATOM 32 O ARG A 85 83.655 88.228 36.553 1.00 29.80 A O -ATOM 33 CB ARG A 85 81.287 87.450 38.283 1.00 23.07 A C -ATOM 34 CG ARG A 85 80.186 86.537 38.739 1.00 21.27 A C -ATOM 35 CD ARG A 85 79.413 86.911 39.986 1.00 18.89 A C -ATOM 36 NE ARG A 85 80.124 86.706 41.219 1.00 17.28 A N -ATOM 37 CZ ARG A 85 79.478 86.779 42.386 1.00 17.52 A C -ATOM 38 NH1 ARG A 85 78.182 87.042 42.439 1.00 16.83 A N1+ -ATOM 39 NH2 ARG A 85 80.139 86.601 43.539 1.00 17.09 A N -ATOM 40 N ASN A 86 81.987 89.350 35.573 1.00 29.67 A N -ATOM 41 CA ASN A 86 82.879 90.434 35.146 1.00 30.79 A C -ATOM 42 C ASN A 86 82.426 91.760 35.751 1.00 29.77 A C -ATOM 43 O ASN A 86 82.970 92.805 35.423 1.00 30.43 A O -ATOM 44 CB ASN A 86 82.915 90.597 33.613 1.00 33.63 A C -ATOM 45 CG ASN A 86 81.631 91.079 32.937 1.00 36.82 A C -ATOM 46 OD1 ASN A 86 80.764 91.709 33.561 1.00 38.60 A O -ATOM 47 ND2 ASN A 86 81.473 90.861 31.625 1.00 39.45 A N -ATOM 48 N TRP A 87 81.371 91.786 36.571 1.00 28.33 A N -ATOM 49 CA TRP A 87 80.834 92.994 37.201 1.00 25.65 A C -ATOM 50 C TRP A 87 80.706 94.280 36.391 1.00 24.71 A C -ATOM 51 O TRP A 87 80.717 95.350 36.995 1.00 23.13 A O -ATOM 52 CB TRP A 87 81.659 93.288 38.442 1.00 24.83 A C -ATOM 53 CG TRP A 87 81.580 92.169 39.473 1.00 24.71 A C -ATOM 54 CD1 TRP A 87 82.612 91.271 39.575 1.00 25.03 A C -ATOM 55 CD2 TRP A 87 80.606 91.963 40.427 1.00 24.11 A C -ATOM 56 NE1 TRP A 87 82.311 90.501 40.597 1.00 25.49 A N -ATOM 57 CE2 TRP A 87 81.124 90.874 41.129 1.00 24.27 A C -ATOM 58 CE3 TRP A 87 79.399 92.531 40.783 1.00 23.14 A C -ATOM 59 CZ2 TRP A 87 80.450 90.353 42.211 1.00 23.83 A C -ATOM 60 CZ3 TRP A 87 78.719 92.010 41.868 1.00 23.16 A C -ATOM 61 CH2 TRP A 87 79.246 90.937 42.573 1.00 24.64 A C -ATOM 62 N SER A 88 80.537 94.267 35.066 1.00 23.42 A N -ATOM 63 CA SER A 88 80.442 95.522 34.380 1.00 24.92 A C -ATOM 64 C SER A 88 79.031 96.089 34.245 1.00 25.67 A C -ATOM 65 O SER A 88 78.360 95.976 33.213 1.00 26.71 A O -ATOM 66 CB SER A 88 81.099 95.374 33.013 1.00 25.08 A C -ATOM 67 OG SER A 88 80.543 94.319 32.243 1.00 27.87 A O -ATOM 68 N LYS A 89 78.526 96.711 35.305 1.00 24.96 A N -ATOM 69 CA LYS A 89 77.204 97.320 35.315 1.00 25.10 A C -ATOM 70 C LYS A 89 77.351 98.522 36.247 1.00 24.54 A C -ATOM 71 O LYS A 89 78.169 98.475 37.187 1.00 25.18 A O -ATOM 72 CB LYS A 89 76.150 96.412 35.910 1.00 26.03 A C -ATOM 73 CG LYS A 89 75.518 95.447 34.959 1.00 26.49 A C -ATOM 74 CD LYS A 89 74.563 94.571 35.731 1.00 26.27 A C -ATOM 75 CE LYS A 89 73.991 93.640 34.682 1.00 26.52 A C -ATOM 76 NZ LYS A 89 73.202 92.605 35.298 1.00 26.88 A N1+ -ATOM 77 N PRO A 90 76.639 99.631 36.017 1.00 22.63 A N -ATOM 78 CA PRO A 90 76.731 100.824 36.833 1.00 21.81 A C -ATOM 79 C PRO A 90 76.464 100.527 38.289 1.00 21.36 A C -ATOM 80 O PRO A 90 75.825 99.537 38.594 1.00 20.87 A O -ATOM 81 CB PRO A 90 75.706 101.720 36.286 1.00 23.21 A C -ATOM 82 CG PRO A 90 75.410 101.252 34.886 1.00 23.22 A C -ATOM 83 CD PRO A 90 75.686 99.777 34.926 1.00 22.95 A C -ATOM 84 N GLN A 91 76.923 101.299 39.253 1.00 21.98 A N -ATOM 85 CA GLN A 91 76.599 101.033 40.648 1.00 22.42 A C -ATOM 86 C GLN A 91 75.144 101.498 40.696 1.00 23.47 A C -ATOM 87 O GLN A 91 74.745 102.398 39.936 1.00 23.66 A O -ATOM 88 CB GLN A 91 77.463 101.889 41.539 1.00 21.47 A C -ATOM 89 CG GLN A 91 77.139 101.774 42.992 1.00 22.86 A C -ATOM 90 CD GLN A 91 78.089 102.589 43.838 1.00 25.27 A C -ATOM 91 OE1 GLN A 91 79.201 102.164 44.133 1.00 26.20 A O -ATOM 92 NE2 GLN A 91 77.752 103.779 44.310 1.00 26.55 A N -ATOM 93 N CYS A 92 74.264 100.898 41.466 1.00 24.37 A N -ATOM 94 CA CYS A 92 72.905 101.390 41.499 1.00 24.72 A C -ATOM 95 C CYS A 92 72.918 102.692 42.265 1.00 27.57 A C -ATOM 96 O CYS A 92 73.753 102.899 43.163 1.00 28.87 A O -ATOM 97 CB CYS A 92 71.976 100.518 42.255 1.00 23.48 A C -ATOM 98 SG CYS A 92 71.956 98.822 41.711 1.00 20.26 A S -ATOM 99 N GLN A 93 72.012 103.604 41.899 1.00 30.64 A N -ATOM 100 CA GLN A 93 71.892 104.879 42.603 1.00 32.50 A C -ATOM 101 C GLN A 93 71.166 104.523 43.874 1.00 31.87 A C -ATOM 102 O GLN A 93 70.222 103.728 43.828 1.00 33.68 A O -ATOM 103 CB GLN A 93 71.081 105.873 41.808 1.00 35.19 A C -ATOM 104 CG GLN A 93 72.036 106.670 40.924 1.00 38.87 A C -ATOM 105 CD GLN A 93 73.055 107.506 41.720 1.00 41.61 A C -ATOM 106 OE1 GLN A 93 73.049 107.637 42.959 1.00 42.78 A O -ATOM 107 NE2 GLN A 93 74.000 108.103 41.011 1.00 42.53 A N -ATOM 108 N ILE A 94 71.600 105.000 45.022 1.00 30.33 A N -ATOM 109 CA ILE A 94 70.893 104.600 46.200 1.00 28.40 A C -ATOM 110 C ILE A 94 70.562 105.872 46.932 1.00 27.59 A C -ATOM 111 O ILE A 94 71.243 106.893 46.814 1.00 28.59 A O -ATOM 112 CB ILE A 94 71.738 103.628 47.141 1.00 28.54 A C -ATOM 113 CG1 ILE A 94 72.885 104.338 47.801 1.00 28.08 A C -ATOM 114 CG2 ILE A 94 72.378 102.502 46.350 1.00 29.01 A C -ATOM 115 CD1 ILE A 94 73.091 103.690 49.188 1.00 26.88 A C -ATOM 116 N THR A 95 69.491 105.703 47.686 1.00 25.10 A N -ATOM 117 CA THR A 95 68.834 106.664 48.546 1.00 22.16 A C -ATOM 118 C THR A 95 69.204 106.456 49.995 1.00 19.78 A C -ATOM 119 O THR A 95 68.942 107.291 50.865 1.00 19.36 A O -ATOM 120 CB THR A 95 67.362 106.416 48.299 1.00 23.35 A C -ATOM 121 OG1 THR A 95 67.202 106.776 46.929 1.00 22.72 A O -ATOM 122 CG2 THR A 95 66.422 107.118 49.232 1.00 23.86 A C -ATOM 123 N GLY A 96 69.723 105.283 50.309 1.00 17.73 A N -ATOM 124 CA GLY A 96 70.065 104.913 51.689 1.00 16.85 A C -ATOM 125 C GLY A 96 69.964 103.377 51.744 1.00 18.43 A C -ATOM 126 O GLY A 96 69.924 102.705 50.682 1.00 16.96 A O -ATOM 127 N PHE A 97 69.858 102.816 52.936 1.00 16.54 A N -ATOM 128 CA PHE A 97 69.792 101.383 53.098 1.00 17.90 A C -ATOM 129 C PHE A 97 68.485 100.900 53.701 1.00 17.60 A C -ATOM 130 O PHE A 97 67.891 101.635 54.486 1.00 18.13 A O -ATOM 131 CB PHE A 97 70.998 100.965 53.957 1.00 17.73 A C -ATOM 132 CG PHE A 97 72.279 101.356 53.219 1.00 18.59 A C -ATOM 133 CD1 PHE A 97 72.816 100.492 52.288 1.00 18.68 A C -ATOM 134 CD2 PHE A 97 72.863 102.602 53.432 1.00 17.89 A C -ATOM 135 CE1 PHE A 97 73.922 100.878 51.571 1.00 18.38 A C -ATOM 136 CE2 PHE A 97 73.970 102.972 52.707 1.00 17.59 A C -ATOM 137 CZ PHE A 97 74.498 102.117 51.784 1.00 17.69 A C -ATOM 138 N ALA A 98 68.027 99.692 53.314 1.00 16.96 A N -ATOM 139 CA ALA A 98 66.802 99.047 53.769 1.00 17.22 A C -ATOM 140 C ALA A 98 67.159 97.768 54.548 1.00 16.89 A C -ATOM 141 O ALA A 98 68.199 97.195 54.218 1.00 17.24 A O -ATOM 142 CB ALA A 98 65.967 98.676 52.566 1.00 16.20 A C -ATOM 143 N PRO A 99 66.446 97.281 55.586 1.00 17.06 A N -ATOM 144 CA PRO A 99 66.804 96.072 56.354 1.00 17.28 A C -ATOM 145 C PRO A 99 66.894 94.830 55.460 1.00 18.53 A C -ATOM 146 O PRO A 99 66.112 94.672 54.499 1.00 20.09 A O -ATOM 147 CB PRO A 99 65.734 95.934 57.410 1.00 16.82 A C -ATOM 148 CG PRO A 99 65.091 97.291 57.448 1.00 16.75 A C -ATOM 149 CD PRO A 99 65.123 97.729 55.985 1.00 16.31 A C -ATOM 150 N PHE A 100 67.854 93.948 55.705 1.00 16.89 A N -ATOM 151 CA PHE A 100 67.951 92.786 54.852 1.00 16.79 A C -ATOM 152 C PHE A 100 68.012 91.494 55.631 1.00 15.97 A C -ATOM 153 O PHE A 100 67.294 90.593 55.208 1.00 14.69 A O -ATOM 154 CB PHE A 100 69.170 92.927 53.982 1.00 16.79 A C -ATOM 155 CG PHE A 100 69.315 91.905 52.871 1.00 17.27 A C -ATOM 156 CD1 PHE A 100 68.233 91.548 52.085 1.00 16.83 A C -ATOM 157 CD2 PHE A 100 70.566 91.345 52.639 1.00 16.78 A C -ATOM 158 CE1 PHE A 100 68.413 90.613 51.075 1.00 16.75 A C -ATOM 159 CE2 PHE A 100 70.731 90.420 51.630 1.00 15.50 A C -ATOM 160 CZ PHE A 100 69.659 90.065 50.849 1.00 16.84 A C -ATOM 161 N SER A 101 68.773 91.317 56.723 1.00 14.45 A N -ATOM 162 CA SER A 101 68.779 90.057 57.425 1.00 13.90 A C -ATOM 163 C SER A 101 69.292 90.239 58.828 1.00 14.52 A C -ATOM 164 O SER A 101 69.945 91.243 59.082 1.00 15.71 A O -ATOM 165 CB SER A 101 69.652 89.120 56.713 1.00 15.66 A C -ATOM 166 OG SER A 101 69.584 87.830 57.289 1.00 16.22 A O -ATOM 167 N LYS A 102 69.038 89.352 59.740 1.00 11.37 A N -ATOM 168 CA LYS A 102 69.496 89.413 61.113 1.00 13.52 A C -ATOM 169 C LYS A 102 69.481 87.926 61.463 1.00 15.68 A C -ATOM 170 O LYS A 102 68.523 87.250 61.079 1.00 16.07 A O -ATOM 171 CB LYS A 102 68.526 90.188 61.968 1.00 11.66 A C -ATOM 172 CG LYS A 102 68.822 90.121 63.453 1.00 12.09 A C -ATOM 173 CD LYS A 102 68.589 91.502 63.985 1.00 13.12 A C -ATOM 174 CE LYS A 102 68.184 91.574 65.415 1.00 11.86 A C -ATOM 175 NZ LYS A 102 69.053 90.893 66.348 1.00 14.45 A N1+ -ATOM 176 N ASP A 103 70.486 87.320 62.116 1.00 18.18 A N -ATOM 177 CA ASP A 103 70.387 85.903 62.361 1.00 21.09 A C -ATOM 178 C ASP A 103 70.108 85.584 63.794 1.00 22.02 A C -ATOM 179 O ASP A 103 69.911 84.412 64.119 1.00 24.18 A O -ATOM 180 CB ASP A 103 71.672 85.155 61.922 1.00 22.93 A C -ATOM 181 CG ASP A 103 72.979 85.408 62.678 1.00 25.70 A C -ATOM 182 OD1 ASP A 103 72.967 86.077 63.720 1.00 26.01 A O -ATOM 183 OD2 ASP A 103 74.028 84.916 62.209 1.00 26.93 A O1- -ATOM 184 N ASN A 104 70.191 86.580 64.672 1.00 21.62 A N -ATOM 185 CA ASN A 104 69.916 86.370 66.086 1.00 20.62 A C -ATOM 186 C ASN A 104 70.671 85.270 66.824 1.00 21.80 A C -ATOM 187 O ASN A 104 70.174 84.802 67.860 1.00 23.59 A O -ATOM 188 CB ASN A 104 68.419 86.113 66.312 1.00 19.86 A C -ATOM 189 CG ASN A 104 67.504 87.300 66.076 1.00 19.49 A C -ATOM 190 OD1 ASN A 104 66.827 87.407 65.054 1.00 16.34 A O -ATOM 191 ND2 ASN A 104 67.460 88.263 66.981 1.00 18.20 A N -ATOM 192 N SER A 105 71.926 84.914 66.444 1.00 22.14 A N -ATOM 193 CA SER A 105 72.708 83.887 67.103 1.00 22.07 A C -ATOM 194 C SER A 105 72.859 83.998 68.605 1.00 21.79 A C -ATOM 195 O SER A 105 72.770 82.967 69.254 1.00 22.40 A O -ATOM 196 CB SER A 105 74.136 83.787 66.499 1.00 25.03 A C -ATOM 197 OG SER A 105 74.215 83.034 65.248 1.00 27.39 A O -ATOM 198 N ILE A 106 72.978 85.141 69.268 1.00 21.61 A N -ATOM 199 CA ILE A 106 73.143 85.146 70.733 1.00 20.94 A C -ATOM 200 C ILE A 106 71.861 84.903 71.510 1.00 21.89 A C -ATOM 201 O ILE A 106 71.930 84.228 72.544 1.00 23.25 A O -ATOM 202 CB ILE A 106 73.788 86.487 71.202 1.00 20.14 A C -ATOM 203 CG1 ILE A 106 75.091 86.733 70.476 1.00 19.72 A C -ATOM 204 CG2 ILE A 106 74.162 86.423 72.679 1.00 20.08 A C -ATOM 205 CD1 ILE A 106 76.171 85.664 70.713 1.00 19.40 A C -ATOM 206 N ARG A 107 70.663 85.353 71.074 1.00 21.64 A N -ATOM 207 CA ARG A 107 69.446 85.119 71.847 1.00 19.99 A C -ATOM 208 C ARG A 107 69.202 83.631 71.809 1.00 18.94 A C -ATOM 209 O ARG A 107 68.987 83.033 72.881 1.00 19.11 A O -ATOM 210 CB ARG A 107 68.212 85.779 71.275 1.00 21.22 A C -ATOM 211 CG ARG A 107 68.330 87.263 70.931 1.00 22.76 A C -ATOM 212 CD ARG A 107 67.024 87.840 70.381 1.00 23.81 A C -ATOM 213 NE ARG A 107 66.200 88.291 71.491 1.00 25.04 A N -ATOM 214 CZ ARG A 107 64.877 88.205 71.511 1.00 25.87 A C -ATOM 215 NH1 ARG A 107 64.186 87.717 70.504 1.00 27.00 A N1+ -ATOM 216 NH2 ARG A 107 64.191 88.630 72.560 1.00 26.56 A N -ATOM 217 N LEU A 108 69.337 83.090 70.582 1.00 16.14 A N -ATOM 218 CA LEU A 108 69.161 81.654 70.329 1.00 15.90 A C -ATOM 219 C LEU A 108 70.124 80.786 71.145 1.00 16.77 A C -ATOM 220 O LEU A 108 69.719 79.767 71.690 1.00 18.31 A O -ATOM 221 CB LEU A 108 69.374 81.335 68.835 1.00 11.22 A C -ATOM 222 CG LEU A 108 68.435 81.921 67.772 1.00 9.02 A C -ATOM 223 CD1 LEU A 108 68.940 81.583 66.423 1.00 7.85 A C -ATOM 224 CD2 LEU A 108 67.085 81.267 67.779 1.00 8.08 A C -ATOM 225 N SER A 109 71.383 81.187 71.363 1.00 17.96 A N -ATOM 226 CA SER A 109 72.367 80.421 72.119 1.00 16.96 A C -ATOM 227 C SER A 109 71.940 80.215 73.546 1.00 18.29 A C -ATOM 228 O SER A 109 72.552 79.382 74.210 1.00 19.73 A O -ATOM 229 CB SER A 109 73.702 81.123 72.145 1.00 16.59 A C -ATOM 230 OG SER A 109 74.166 81.345 70.807 1.00 15.32 A O -ATOM 231 N ALA A 110 70.924 80.901 74.064 1.00 17.32 A N -ATOM 232 CA ALA A 110 70.567 80.637 75.441 1.00 19.13 A C -ATOM 233 C ALA A 110 69.510 79.533 75.473 1.00 19.95 A C -ATOM 234 O ALA A 110 68.892 79.265 76.517 1.00 21.92 A O -ATOM 235 CB ALA A 110 70.032 81.893 76.072 1.00 18.35 A C -ATOM 236 N GLY A 111 69.241 78.906 74.328 1.00 19.35 A N -ATOM 237 CA GLY A 111 68.287 77.845 74.246 1.00 18.88 A C -ATOM 238 C GLY A 111 68.493 77.108 72.948 1.00 19.65 A C -ATOM 239 O GLY A 111 67.528 76.888 72.216 1.00 20.99 A O -ATOM 240 N GLY A 112 69.717 76.668 72.654 1.00 19.62 A N -ATOM 241 CA GLY A 112 70.049 75.942 71.413 1.00 19.95 A C -ATOM 242 C GLY A 112 71.563 75.774 71.343 1.00 19.62 A C -ATOM 243 O GLY A 112 72.206 76.431 72.172 1.00 21.12 A O -ATOM 244 N ASP A 113 72.188 74.958 70.464 1.00 18.56 A N -ATOM 245 CA ASP A 113 73.632 74.804 70.427 1.00 17.48 A C -ATOM 246 C ASP A 113 74.061 75.527 69.169 1.00 17.70 A C -ATOM 247 O ASP A 113 73.825 75.091 68.011 1.00 15.45 A O -ATOM 248 CB ASP A 113 74.028 73.352 70.325 1.00 19.18 A C -ATOM 249 CG ASP A 113 73.349 72.430 71.317 1.00 20.70 A C -ATOM 250 OD1 ASP A 113 73.450 72.623 72.539 1.00 21.06 A O -ATOM 251 OD2 ASP A 113 72.718 71.485 70.847 1.00 21.26 A O1- -ATOM 252 N ILE A 114 74.620 76.700 69.498 1.00 15.86 A N -ATOM 253 CA ILE A 114 75.070 77.665 68.516 1.00 16.53 A C -ATOM 254 C ILE A 114 76.548 77.922 68.652 1.00 16.97 A C -ATOM 255 O ILE A 114 77.035 78.201 69.756 1.00 19.34 A O -ATOM 256 CB ILE A 114 74.276 78.998 68.732 1.00 16.36 A C -ATOM 257 CG1 ILE A 114 72.765 78.814 68.507 1.00 15.14 A C -ATOM 258 CG2 ILE A 114 74.855 80.080 67.795 1.00 16.37 A C -ATOM 259 CD1 ILE A 114 72.234 78.452 67.102 1.00 14.97 A C -ATOM 260 N TRP A 115 77.253 77.866 67.540 1.00 15.67 A N -ATOM 261 CA TRP A 115 78.684 78.113 67.407 1.00 14.71 A C -ATOM 262 C TRP A 115 79.163 79.411 68.026 1.00 13.88 A C -ATOM 263 O TRP A 115 78.419 80.384 68.002 1.00 13.02 A O -ATOM 264 CB TRP A 115 79.018 78.137 65.930 1.00 15.03 A C -ATOM 265 CG TRP A 115 79.330 76.765 65.354 1.00 15.51 A C -ATOM 266 CD1 TRP A 115 78.433 75.988 64.663 1.00 16.19 A C -ATOM 267 CD2 TRP A 115 80.579 76.211 65.374 1.00 15.63 A C -ATOM 268 NE1 TRP A 115 79.111 74.955 64.208 1.00 16.77 A N -ATOM 269 CE2 TRP A 115 80.405 75.062 64.609 1.00 16.40 A C -ATOM 270 CE3 TRP A 115 81.793 76.558 65.901 1.00 13.49 A C -ATOM 271 CZ2 TRP A 115 81.486 74.240 64.376 1.00 14.32 A C -ATOM 272 CZ3 TRP A 115 82.859 75.732 65.654 1.00 12.90 A C -ATOM 273 CH2 TRP A 115 82.707 74.591 64.908 1.00 13.55 A C -ATOM 274 N VAL A 116 80.341 79.541 68.634 1.00 14.50 A N -ATOM 275 CA VAL A 116 80.805 80.822 69.196 1.00 12.30 A C -ATOM 276 C VAL A 116 81.530 81.399 67.999 1.00 13.48 A C -ATOM 277 O VAL A 116 82.257 80.587 67.404 1.00 13.24 A O -ATOM 278 CB VAL A 116 81.772 80.573 70.362 1.00 11.22 A C -ATOM 279 CG1 VAL A 116 82.578 81.800 70.647 1.00 9.25 A C -ATOM 280 CG2 VAL A 116 80.976 80.243 71.626 1.00 10.53 A C -ATOM 281 N THR A 117 81.370 82.665 67.561 1.00 12.95 A N -ATOM 282 CA THR A 117 82.097 83.135 66.400 1.00 13.40 A C -ATOM 283 C THR A 117 82.538 84.587 66.485 1.00 14.31 A C -ATOM 284 O THR A 117 82.324 85.210 67.511 1.00 17.59 A O -ATOM 285 CB THR A 117 81.229 83.008 65.131 1.00 13.15 A C -ATOM 286 OG1 THR A 117 80.095 83.837 65.301 1.00 11.43 A O -ATOM 287 CG2 THR A 117 80.770 81.612 64.866 1.00 12.87 A C -ATOM 288 N ARG A 118 83.289 85.143 65.545 1.00 13.61 A N -ATOM 289 CA ARG A 118 83.584 86.559 65.542 1.00 13.65 A C -ATOM 290 C ARG A 118 84.044 86.806 64.109 1.00 12.77 A C -ATOM 291 O ARG A 118 84.100 85.894 63.286 1.00 13.08 A O -ATOM 292 CB ARG A 118 84.664 87.021 66.519 1.00 13.85 A C -ATOM 293 CG ARG A 118 83.980 87.884 67.596 1.00 15.04 A C -ATOM 294 CD ARG A 118 84.854 89.024 68.108 1.00 16.17 A C -ATOM 295 NE ARG A 118 84.909 90.099 67.128 1.00 16.09 A N -ATOM 296 CZ ARG A 118 85.963 90.869 66.903 1.00 17.37 A C -ATOM 297 NH1 ARG A 118 87.057 90.697 67.597 1.00 18.87 A N1+ -ATOM 298 NH2 ARG A 118 85.946 91.815 65.975 1.00 18.09 A N -ATOM 299 N GLU A 119 84.350 88.026 63.720 1.00 12.01 A N -ATOM 300 CA GLU A 119 84.752 88.386 62.372 1.00 10.32 A C -ATOM 301 C GLU A 119 83.800 87.787 61.347 1.00 12.76 A C -ATOM 302 O GLU A 119 84.269 87.041 60.478 1.00 13.57 A O -ATOM 303 CB GLU A 119 86.190 87.911 62.073 1.00 10.08 A C -ATOM 304 CG GLU A 119 87.266 88.577 62.918 1.00 9.36 A C -ATOM 305 CD GLU A 119 87.412 87.929 64.282 1.00 10.88 A C -ATOM 306 OE1 GLU A 119 87.312 86.707 64.355 1.00 10.70 A O -ATOM 307 OE2 GLU A 119 87.620 88.620 65.274 1.00 9.81 A O1- -ATOM 308 N PRO A 120 82.472 88.034 61.394 1.00 12.47 A N -ATOM 309 CA PRO A 120 81.526 87.555 60.393 1.00 13.31 A C -ATOM 310 C PRO A 120 81.591 88.324 59.104 1.00 13.17 A C -ATOM 311 O PRO A 120 82.234 89.388 59.024 1.00 16.41 A O -ATOM 312 CB PRO A 120 80.190 87.709 61.006 1.00 13.14 A C -ATOM 313 CG PRO A 120 80.357 89.047 61.657 1.00 14.29 A C -ATOM 314 CD PRO A 120 81.831 89.093 62.146 1.00 13.11 A C -ATOM 315 N TYR A 121 80.972 87.820 58.054 1.00 12.59 A N -ATOM 316 CA TYR A 121 80.919 88.575 56.796 1.00 9.74 A C -ATOM 317 C TYR A 121 79.927 87.904 55.918 1.00 9.94 A C -ATOM 318 O TYR A 121 79.430 86.837 56.298 1.00 9.78 A O -ATOM 319 CB TYR A 121 82.253 88.697 56.045 1.00 8.67 A C -ATOM 320 CG TYR A 121 83.150 87.552 55.623 1.00 8.07 A C -ATOM 321 CD1 TYR A 121 84.006 86.991 56.533 1.00 8.10 A C -ATOM 322 CD2 TYR A 121 83.071 87.102 54.321 1.00 8.39 A C -ATOM 323 CE1 TYR A 121 84.792 85.960 56.158 1.00 6.36 A C -ATOM 324 CE2 TYR A 121 83.861 86.072 53.942 1.00 7.43 A C -ATOM 325 CZ TYR A 121 84.692 85.509 54.874 1.00 7.06 A C -ATOM 326 OH TYR A 121 85.400 84.403 54.493 1.00 6.02 A O -ATOM 327 N VAL A 122 79.446 88.500 54.846 1.00 8.19 A N -ATOM 328 CA VAL A 122 78.524 87.721 54.050 1.00 10.53 A C -ATOM 329 C VAL A 122 79.063 87.953 52.653 1.00 9.92 A C -ATOM 330 O VAL A 122 79.708 88.976 52.406 1.00 8.88 A O -ATOM 331 CB VAL A 122 76.977 88.155 54.245 1.00 9.85 A C -ATOM 332 CG1 VAL A 122 76.830 89.090 55.374 1.00 9.13 A C -ATOM 333 CG2 VAL A 122 76.374 88.737 52.995 1.00 10.04 A C -ATOM 334 N SER A 123 78.955 86.935 51.806 1.00 11.36 A N -ATOM 335 CA SER A 123 79.445 87.005 50.444 1.00 13.54 A C -ATOM 336 C SER A 123 78.307 86.285 49.730 1.00 16.19 A C -ATOM 337 O SER A 123 77.517 85.458 50.282 1.00 15.86 A O -ATOM 338 CB SER A 123 80.765 86.267 50.193 1.00 12.68 A C -ATOM 339 OG SER A 123 81.099 86.653 48.844 1.00 11.94 A O -ATOM 340 N CYS A 124 78.334 86.504 48.420 1.00 17.15 A N -ATOM 341 CA CYS A 124 77.201 86.072 47.664 1.00 18.72 A C -ATOM 342 C CYS A 124 77.483 85.466 46.305 1.00 19.95 A C -ATOM 343 O CYS A 124 78.180 86.076 45.483 1.00 20.48 A O -ATOM 344 CB CYS A 124 76.554 87.424 47.841 1.00 20.37 A C -ATOM 345 SG CYS A 124 74.814 87.695 47.771 1.00 22.33 A S -ATOM 346 N ASP A 125 77.030 84.251 46.015 1.00 20.76 A N -ATOM 347 CA ASP A 125 77.332 83.694 44.715 1.00 22.74 A C -ATOM 348 C ASP A 125 76.316 84.258 43.753 1.00 22.49 A C -ATOM 349 O ASP A 125 75.501 85.047 44.208 1.00 23.67 A O -ATOM 350 CB ASP A 125 77.307 82.142 44.796 1.00 25.84 A C -ATOM 351 CG ASP A 125 76.005 81.354 44.865 1.00 28.43 A C -ATOM 352 OD1 ASP A 125 75.055 81.615 44.134 1.00 28.36 A O -ATOM 353 OD2 ASP A 125 75.958 80.413 45.643 1.00 30.05 A O1- -ATOM 354 N PRO A 126 76.200 83.948 42.473 1.00 21.93 A N -ATOM 355 CA PRO A 126 75.217 84.593 41.621 1.00 22.42 A C -ATOM 356 C PRO A 126 73.738 84.294 41.840 1.00 23.29 A C -ATOM 357 O PRO A 126 72.899 84.997 41.299 1.00 24.30 A O -ATOM 358 CB PRO A 126 75.671 84.256 40.214 1.00 21.92 A C -ATOM 359 CG PRO A 126 76.530 83.050 40.349 1.00 23.19 A C -ATOM 360 CD PRO A 126 77.209 83.274 41.688 1.00 22.45 A C -ATOM 361 N VAL A 127 73.314 83.273 42.580 1.00 24.02 A N -ATOM 362 CA VAL A 127 71.900 82.990 42.783 1.00 24.73 A C -ATOM 363 C VAL A 127 71.527 83.299 44.211 1.00 24.19 A C -ATOM 364 O VAL A 127 70.438 83.802 44.459 1.00 24.94 A O -ATOM 365 CB VAL A 127 71.546 81.488 42.487 1.00 25.90 A C -ATOM 366 CG1 VAL A 127 72.086 81.127 41.110 1.00 26.49 A C -ATOM 367 CG2 VAL A 127 72.174 80.528 43.460 1.00 26.51 A C -ATOM 368 N LYS A 128 72.410 83.066 45.187 1.00 23.63 A N -ATOM 369 CA LYS A 128 72.058 83.331 46.566 1.00 22.71 A C -ATOM 370 C LYS A 128 73.223 83.740 47.440 1.00 21.85 A C -ATOM 371 O LYS A 128 74.388 83.502 47.119 1.00 24.11 A O -ATOM 372 CB LYS A 128 71.401 82.107 47.140 1.00 24.49 A C -ATOM 373 CG LYS A 128 72.318 80.922 47.252 1.00 25.84 A C -ATOM 374 CD LYS A 128 71.619 79.878 48.103 1.00 28.81 A C -ATOM 375 CE LYS A 128 70.540 79.132 47.314 1.00 30.00 A C -ATOM 376 NZ LYS A 128 69.884 78.150 48.165 1.00 31.01 A N1+ -ATOM 377 N CYS A 129 72.877 84.302 48.579 1.00 18.44 A N -ATOM 378 CA CYS A 129 73.778 84.826 49.553 1.00 17.73 A C -ATOM 379 C CYS A 129 74.090 83.950 50.751 1.00 15.07 A C -ATOM 380 O CYS A 129 73.156 83.432 51.365 1.00 14.13 A O -ATOM 381 CB CYS A 129 73.180 86.124 50.030 1.00 18.64 A C -ATOM 382 SG CYS A 129 73.730 87.726 49.451 1.00 21.55 A S -ATOM 383 N TYR A 130 75.360 83.907 51.173 1.00 12.53 A N -ATOM 384 CA TYR A 130 75.782 83.114 52.304 1.00 10.18 A C -ATOM 385 C TYR A 130 76.437 83.963 53.352 1.00 9.10 A C -ATOM 386 O TYR A 130 77.121 84.908 52.993 1.00 10.54 A O -ATOM 387 CB TYR A 130 76.808 82.095 51.922 1.00 8.93 A C -ATOM 388 CG TYR A 130 76.301 81.157 50.865 1.00 9.36 A C -ATOM 389 CD1 TYR A 130 76.315 81.618 49.577 1.00 8.65 A C -ATOM 390 CD2 TYR A 130 75.808 79.901 51.190 1.00 9.28 A C -ATOM 391 CE1 TYR A 130 75.822 80.829 48.596 1.00 8.48 A C -ATOM 392 CE2 TYR A 130 75.305 79.101 50.185 1.00 9.41 A C -ATOM 393 CZ TYR A 130 75.315 79.593 48.896 1.00 10.24 A C -ATOM 394 OH TYR A 130 74.778 78.854 47.852 1.00 11.90 A O -ATOM 395 N GLN A 131 76.248 83.642 54.624 1.00 8.13 A N -ATOM 396 CA GLN A 131 76.904 84.361 55.657 1.00 7.14 A C -ATOM 397 C GLN A 131 78.079 83.455 56.106 1.00 10.45 A C -ATOM 398 O GLN A 131 77.977 82.200 56.011 1.00 10.86 A O -ATOM 399 CB GLN A 131 75.970 84.589 56.803 1.00 7.66 A C -ATOM 400 CG GLN A 131 75.434 83.427 57.537 1.00 4.18 A C -ATOM 401 CD GLN A 131 74.558 83.827 58.708 1.00 6.66 A C -ATOM 402 OE1 GLN A 131 74.736 83.360 59.826 1.00 6.28 A O -ATOM 403 NE2 GLN A 131 73.554 84.677 58.574 1.00 2.78 A N -ATOM 404 N PHE A 132 79.213 84.069 56.567 1.00 8.59 A N -ATOM 405 CA PHE A 132 80.403 83.372 57.028 1.00 7.17 A C -ATOM 406 C PHE A 132 80.847 83.938 58.367 1.00 8.49 A C -ATOM 407 O PHE A 132 80.432 85.025 58.778 1.00 9.35 A O -ATOM 408 CB PHE A 132 81.616 83.561 56.121 1.00 6.12 A C -ATOM 409 CG PHE A 132 81.429 83.203 54.645 1.00 4.94 A C -ATOM 410 CD1 PHE A 132 80.668 84.005 53.868 1.00 5.24 A C -ATOM 411 CD2 PHE A 132 82.017 82.075 54.130 1.00 5.14 A C -ATOM 412 CE1 PHE A 132 80.486 83.709 52.531 1.00 5.75 A C -ATOM 413 CE2 PHE A 132 81.845 81.776 52.796 1.00 5.74 A C -ATOM 414 CZ PHE A 132 81.063 82.604 51.999 1.00 6.32 A C -ATOM 415 N ALA A 133 81.735 83.231 59.029 1.00 9.12 A N -ATOM 416 CA ALA A 133 82.314 83.679 60.296 1.00 10.36 A C -ATOM 417 C ALA A 133 83.418 82.729 60.727 1.00 11.99 A C -ATOM 418 O ALA A 133 83.452 81.562 60.306 1.00 15.17 A O -ATOM 419 CB ALA A 133 81.318 83.703 61.414 1.00 8.92 A C -ATOM 420 N LEU A 134 84.325 83.173 61.590 1.00 10.47 A N -ATOM 421 CA LEU A 134 85.410 82.357 62.061 1.00 8.80 A C -ATOM 422 C LEU A 134 84.860 81.773 63.347 1.00 10.97 A C -ATOM 423 O LEU A 134 84.548 82.585 64.221 1.00 10.17 A O -ATOM 424 CB LEU A 134 86.622 83.287 62.304 1.00 7.68 A C -ATOM 425 CG LEU A 134 87.754 83.358 61.258 1.00 8.94 A C -ATOM 426 CD1 LEU A 134 87.285 83.268 59.818 1.00 8.48 A C -ATOM 427 CD2 LEU A 134 88.382 84.688 61.388 1.00 7.57 A C -ATOM 428 N GLY A 135 84.687 80.454 63.519 1.00 10.22 A N -ATOM 429 CA GLY A 135 84.173 79.968 64.797 1.00 13.15 A C -ATOM 430 C GLY A 135 85.249 79.765 65.832 1.00 13.05 A C -ATOM 431 O GLY A 135 86.420 79.814 65.519 1.00 15.98 A O -ATOM 432 N GLN A 136 84.978 79.600 67.106 1.00 13.67 A N -ATOM 433 CA GLN A 136 86.036 79.360 68.050 1.00 13.81 A C -ATOM 434 C GLN A 136 86.071 77.876 68.386 1.00 14.24 A C -ATOM 435 O GLN A 136 86.412 77.521 69.519 1.00 13.33 A O -ATOM 436 CB GLN A 136 85.805 80.158 69.322 1.00 15.64 A C -ATOM 437 CG GLN A 136 86.032 81.644 69.202 1.00 17.48 A C -ATOM 438 CD GLN A 136 87.450 82.089 68.852 1.00 19.07 A C -ATOM 439 OE1 GLN A 136 88.396 81.303 68.743 1.00 18.72 A O -ATOM 440 NE2 GLN A 136 87.603 83.405 68.667 1.00 19.81 A N -ATOM 441 N GLY A 137 85.675 76.990 67.460 1.00 13.47 A N -ATOM 442 CA GLY A 137 85.657 75.543 67.687 1.00 15.00 A C -ATOM 443 C GLY A 137 84.861 75.064 68.895 1.00 16.66 A C -ATOM 444 O GLY A 137 85.233 74.082 69.558 1.00 16.74 A O -ATOM 445 N THR A 138 83.758 75.739 69.208 1.00 16.66 A N -ATOM 446 CA THR A 138 82.921 75.408 70.340 1.00 16.40 A C -ATOM 447 C THR A 138 81.562 76.089 70.171 1.00 17.30 A C -ATOM 448 O THR A 138 81.358 76.911 69.261 1.00 17.05 A O -ATOM 449 CB THR A 138 83.649 75.888 71.601 1.00 16.28 A C -ATOM 450 OG1 THR A 138 82.930 75.363 72.702 1.00 17.96 A O -ATOM 451 CG2 THR A 138 83.723 77.390 71.733 1.00 15.67 A C -ATOM 452 N THR A 139 80.578 75.693 70.961 1.00 18.84 A N -ATOM 453 CA THR A 139 79.247 76.275 70.919 1.00 17.95 A C -ATOM 454 C THR A 139 79.243 77.131 72.182 1.00 20.91 A C -ATOM 455 O THR A 139 80.150 76.989 73.027 1.00 21.57 A O -ATOM 456 CB THR A 139 78.163 75.173 70.955 1.00 16.48 A C -ATOM 457 OG1 THR A 139 78.432 74.273 72.023 1.00 16.31 A O -ATOM 458 CG2 THR A 139 78.121 74.453 69.646 1.00 13.54 A C -ATOM 459 N LEU A 140 78.253 78.015 72.379 1.00 20.50 A N -ATOM 460 CA LEU A 140 78.270 78.879 73.540 1.00 21.75 A C -ATOM 461 C LEU A 140 77.960 78.187 74.842 1.00 23.58 A C -ATOM 462 O LEU A 140 78.650 78.421 75.845 1.00 24.36 A O -ATOM 463 CB LEU A 140 77.305 80.004 73.212 1.00 21.31 A C -ATOM 464 CG LEU A 140 77.405 81.328 73.922 1.00 21.60 A C -ATOM 465 CD1 LEU A 140 77.029 82.398 72.914 1.00 20.46 A C -ATOM 466 CD2 LEU A 140 76.567 81.330 75.195 1.00 20.94 A C -ATOM 467 N ASP A 141 76.942 77.313 74.888 1.00 25.56 A N -ATOM 468 CA ASP A 141 76.637 76.658 76.154 1.00 27.09 A C -ATOM 469 C ASP A 141 77.464 75.390 76.057 1.00 27.72 A C -ATOM 470 O ASP A 141 76.992 74.346 75.599 1.00 28.03 A O -ATOM 471 CB ASP A 141 75.158 76.371 76.210 1.00 27.70 A C -ATOM 472 CG ASP A 141 74.624 76.093 77.605 1.00 28.74 A C -ATOM 473 OD1 ASP A 141 75.364 76.034 78.581 1.00 29.54 A O -ATOM 474 OD2 ASP A 141 73.418 75.943 77.724 1.00 30.58 A O1- -ATOM 475 N ASN A 142 78.748 75.573 76.359 1.00 27.55 A N -ATOM 476 CA ASN A 142 79.742 74.523 76.295 1.00 26.85 A C -ATOM 477 C ASN A 142 80.902 75.018 77.153 1.00 27.56 A C -ATOM 478 O ASN A 142 81.357 76.121 76.895 1.00 28.67 A O -ATOM 479 CB ASN A 142 80.154 74.368 74.842 1.00 26.88 A C -ATOM 480 CG ASN A 142 81.205 73.312 74.572 1.00 26.85 A C -ATOM 481 OD1 ASN A 142 81.455 72.926 73.444 1.00 26.03 A O -ATOM 482 ND2 ASN A 142 81.965 72.758 75.492 1.00 26.21 A N -ATOM 483 N LYS A 143 81.523 74.327 78.130 1.00 27.24 A N -ATOM 484 CA LYS A 143 82.623 74.930 78.901 1.00 26.10 A C -ATOM 485 C LYS A 143 83.834 75.415 78.119 1.00 25.88 A C -ATOM 486 O LYS A 143 84.578 76.277 78.577 1.00 25.22 A O -ATOM 487 CB LYS A 143 83.116 73.978 79.952 1.00 26.55 A C -ATOM 488 CG LYS A 143 82.048 73.670 80.985 1.00 27.92 A C -ATOM 489 CD LYS A 143 82.754 73.601 82.313 1.00 29.28 A C -ATOM 490 CE LYS A 143 81.843 73.173 83.451 1.00 30.33 A C -ATOM 491 NZ LYS A 143 81.794 71.724 83.560 1.00 31.30 A N1+ -ATOM 492 N HIS A 144 83.982 74.973 76.869 1.00 24.80 A N -ATOM 493 CA HIS A 144 85.104 75.388 76.060 1.00 25.73 A C -ATOM 494 C HIS A 144 84.896 76.797 75.543 1.00 26.03 A C -ATOM 495 O HIS A 144 85.733 77.257 74.778 1.00 27.10 A O -ATOM 496 CB HIS A 144 85.310 74.503 74.817 1.00 25.88 A C -ATOM 497 CG HIS A 144 85.592 73.046 75.097 1.00 26.35 A C -ATOM 498 ND1 HIS A 144 84.766 72.022 74.896 1.00 26.87 A N -ATOM 499 CD2 HIS A 144 86.742 72.567 75.678 1.00 25.80 A C -ATOM 500 CE1 HIS A 144 85.372 70.955 75.355 1.00 27.09 A C -ATOM 501 NE2 HIS A 144 86.553 71.291 75.823 1.00 26.17 A N -ATOM 502 N SER A 145 83.816 77.513 75.803 1.00 26.38 A N -ATOM 503 CA SER A 145 83.666 78.859 75.297 1.00 27.40 A C -ATOM 504 C SER A 145 84.382 79.846 76.206 1.00 28.60 A C -ATOM 505 O SER A 145 84.504 81.001 75.826 1.00 27.70 A O -ATOM 506 CB SER A 145 82.194 79.207 75.228 1.00 26.80 A C -ATOM 507 OG SER A 145 81.695 79.046 76.552 1.00 28.82 A O -ATOM 508 N ASN A 146 84.834 79.447 77.404 1.00 32.26 A N -ATOM 509 CA ASN A 146 85.529 80.297 78.366 1.00 35.40 A C -ATOM 510 C ASN A 146 86.769 80.828 77.708 1.00 34.12 A C -ATOM 511 O ASN A 146 87.485 80.074 77.071 1.00 33.29 A O -ATOM 512 CB ASN A 146 85.977 79.537 79.618 1.00 40.68 A C -ATOM 513 CG ASN A 146 86.441 80.408 80.791 1.00 46.36 A C -ATOM 514 OD1 ASN A 146 86.749 81.588 80.606 1.00 46.08 A O -ATOM 515 ND2 ASN A 146 86.452 79.873 82.030 1.00 52.87 A N -ATOM 516 N ASP A 147 86.968 82.136 77.793 1.00 33.21 A N -ATOM 517 CA ASP A 147 88.108 82.816 77.233 1.00 32.29 A C -ATOM 518 C ASP A 147 88.250 82.791 75.726 1.00 30.46 A C -ATOM 519 O ASP A 147 89.354 82.704 75.172 1.00 30.89 A O -ATOM 520 CB ASP A 147 89.349 82.242 77.904 1.00 35.09 A C -ATOM 521 CG ASP A 147 90.561 83.142 78.102 1.00 37.47 A C -ATOM 522 OD1 ASP A 147 90.552 84.329 77.755 1.00 38.72 A O -ATOM 523 OD2 ASP A 147 91.545 82.618 78.620 1.00 39.34 A O1- -ATOM 524 N THR A 148 87.153 82.953 75.018 1.00 28.89 A N -ATOM 525 CA THR A 148 87.178 82.981 73.560 1.00 28.49 A C -ATOM 526 C THR A 148 87.491 84.374 72.976 1.00 28.32 A C -ATOM 527 O THR A 148 87.300 84.658 71.777 1.00 29.28 A O -ATOM 528 CB THR A 148 85.816 82.431 73.066 1.00 28.04 A C -ATOM 529 OG1 THR A 148 84.791 82.827 73.980 1.00 27.70 A O -ATOM 530 CG2 THR A 148 85.854 80.929 72.961 1.00 27.65 A C -ATOM 531 N VAL A 149 87.917 85.294 73.865 1.00 27.18 A N -ATOM 532 CA VAL A 149 88.311 86.661 73.528 1.00 26.41 A C -ATOM 533 C VAL A 149 89.476 86.592 72.559 1.00 26.49 A C -ATOM 534 O VAL A 149 89.629 87.445 71.692 1.00 28.25 A O -ATOM 535 CB VAL A 149 88.941 87.546 74.646 1.00 26.56 A C -ATOM 536 CG1 VAL A 149 88.269 88.880 74.571 1.00 26.05 A C -ATOM 537 CG2 VAL A 149 88.851 86.933 76.041 1.00 27.08 A C -ATOM 538 N HIS A 150 90.326 85.570 72.658 1.00 26.11 A N -ATOM 539 CA HIS A 150 91.508 85.456 71.821 1.00 24.88 A C -ATOM 540 C HIS A 150 91.196 85.254 70.370 1.00 24.12 A C -ATOM 541 O HIS A 150 90.280 84.553 69.966 1.00 22.85 A O -ATOM 542 CB HIS A 150 92.357 84.335 72.355 1.00 25.97 A C -ATOM 543 CG HIS A 150 92.699 84.555 73.832 1.00 27.08 A C -ATOM 544 ND1 HIS A 150 93.384 85.539 74.419 1.00 27.34 A N -ATOM 545 CD2 HIS A 150 92.283 83.701 74.832 1.00 27.83 A C -ATOM 546 CE1 HIS A 150 93.389 85.304 75.713 1.00 27.43 A C -ATOM 547 NE2 HIS A 150 92.728 84.201 75.950 1.00 27.22 A N -ATOM 548 N ASP A 151 91.926 86.005 69.589 1.00 24.47 A N -ATOM 549 CA ASP A 151 91.701 85.938 68.171 1.00 25.97 A C -ATOM 550 C ASP A 151 92.271 84.770 67.459 1.00 24.52 A C -ATOM 551 O ASP A 151 91.787 84.433 66.393 1.00 24.83 A O -ATOM 552 CB ASP A 151 92.244 87.169 67.459 1.00 28.10 A C -ATOM 553 CG ASP A 151 91.690 88.507 67.947 1.00 30.62 A C -ATOM 554 OD1 ASP A 151 90.493 88.606 68.227 1.00 31.34 A O -ATOM 555 OD2 ASP A 151 92.480 89.447 68.052 1.00 31.51 A O1- -ATOM 556 N ARG A 152 93.300 84.123 67.962 1.00 23.86 A N -ATOM 557 CA ARG A 152 93.869 83.038 67.187 1.00 23.31 A C -ATOM 558 C ARG A 152 94.121 81.776 67.983 1.00 22.45 A C -ATOM 559 O ARG A 152 94.846 81.846 68.964 1.00 24.27 A O -ATOM 560 CB ARG A 152 95.178 83.507 66.590 1.00 23.02 A C -ATOM 561 CG ARG A 152 95.174 84.700 65.634 1.00 23.67 A C -ATOM 562 CD ARG A 152 96.570 85.321 65.437 1.00 23.52 A C -ATOM 563 NE ARG A 152 96.663 86.591 66.146 1.00 23.75 A N -ATOM 564 CZ ARG A 152 97.347 86.738 67.275 1.00 23.45 A C -ATOM 565 NH1 ARG A 152 98.022 85.771 67.863 1.00 23.42 A N1+ -ATOM 566 NH2 ARG A 152 97.375 87.915 67.844 1.00 25.18 A N -ATOM 567 N ILE A 153 93.507 80.647 67.675 1.00 19.56 A N -ATOM 568 CA ILE A 153 93.759 79.399 68.353 1.00 17.65 A C -ATOM 569 C ILE A 153 93.738 78.372 67.218 1.00 18.68 A C -ATOM 570 O ILE A 153 93.169 78.710 66.168 1.00 20.36 A O -ATOM 571 CB ILE A 153 92.687 78.997 69.402 1.00 16.20 A C -ATOM 572 CG1 ILE A 153 91.296 79.188 68.914 1.00 14.04 A C -ATOM 573 CG2 ILE A 153 92.951 79.812 70.654 1.00 15.27 A C -ATOM 574 CD1 ILE A 153 90.366 78.441 69.833 1.00 13.01 A C -ATOM 575 N PRO A 154 94.277 77.127 67.228 1.00 18.72 A N -ATOM 576 CA PRO A 154 94.229 76.214 66.061 1.00 18.18 A C -ATOM 577 C PRO A 154 92.837 75.682 65.682 1.00 18.17 A C -ATOM 578 O PRO A 154 92.570 75.091 64.639 1.00 19.68 A O -ATOM 579 CB PRO A 154 95.128 75.092 66.422 1.00 17.99 A C -ATOM 580 CG PRO A 154 95.774 75.478 67.710 1.00 17.85 A C -ATOM 581 CD PRO A 154 94.839 76.440 68.387 1.00 17.25 A C -ATOM 582 N HIS A 155 91.895 75.867 66.585 1.00 16.80 A N -ATOM 583 CA HIS A 155 90.547 75.368 66.435 1.00 16.01 A C -ATOM 584 C HIS A 155 89.561 76.240 65.716 1.00 15.37 A C -ATOM 585 O HIS A 155 88.420 75.819 65.573 1.00 16.00 A O -ATOM 586 CB HIS A 155 90.085 75.051 67.838 1.00 16.24 A C -ATOM 587 CG HIS A 155 91.185 74.238 68.510 1.00 17.80 A C -ATOM 588 ND1 HIS A 155 91.967 73.332 67.933 1.00 18.36 A N -ATOM 589 CD2 HIS A 155 91.568 74.338 69.825 1.00 18.45 A C -ATOM 590 CE1 HIS A 155 92.801 72.867 68.834 1.00 19.63 A C -ATOM 591 NE2 HIS A 155 92.549 73.484 69.971 1.00 19.14 A N -ATOM 592 N ARG A 156 89.975 77.428 65.259 1.00 13.16 A N -ATOM 593 CA ARG A 156 89.083 78.314 64.592 1.00 11.78 A C -ATOM 594 C ARG A 156 88.947 77.801 63.177 1.00 10.65 A C -ATOM 595 O ARG A 156 89.958 77.451 62.557 1.00 11.30 A O -ATOM 596 CB ARG A 156 89.646 79.751 64.565 1.00 11.33 A C -ATOM 597 CG ARG A 156 89.891 80.311 65.973 1.00 11.68 A C -ATOM 598 CD ARG A 156 89.837 81.815 65.970 1.00 13.02 A C -ATOM 599 NE ARG A 156 88.451 82.208 65.795 1.00 15.34 A N -ATOM 600 CZ ARG A 156 88.038 83.466 65.652 1.00 17.11 A C -ATOM 601 NH1 ARG A 156 88.857 84.520 65.672 1.00 18.53 A N1+ -ATOM 602 NH2 ARG A 156 86.746 83.682 65.499 1.00 18.37 A N -ATOM 603 N THR A 157 87.732 77.751 62.665 1.00 9.50 A N -ATOM 604 CA THR A 157 87.502 77.312 61.299 1.00 7.58 A C -ATOM 605 C THR A 157 86.514 78.278 60.657 1.00 7.03 A C -ATOM 606 O THR A 157 85.774 79.021 61.311 1.00 3.72 A O -ATOM 607 CB THR A 157 86.976 75.882 61.377 1.00 8.78 A C -ATOM 608 OG1 THR A 157 85.935 75.993 62.325 1.00 8.17 A O -ATOM 609 CG2 THR A 157 87.954 74.815 61.864 1.00 9.48 A C -ATOM 610 N LEU A 158 86.454 78.349 59.345 1.00 6.62 A N -ATOM 611 CA LEU A 158 85.542 79.244 58.679 1.00 6.25 A C -ATOM 612 C LEU A 158 84.222 78.508 58.544 1.00 8.67 A C -ATOM 613 O LEU A 158 84.192 77.406 57.958 1.00 12.02 A O -ATOM 614 CB LEU A 158 86.110 79.626 57.282 1.00 6.10 A C -ATOM 615 CG LEU A 158 85.219 80.504 56.402 1.00 7.34 A C -ATOM 616 CD1 LEU A 158 84.944 81.745 57.252 1.00 7.19 A C -ATOM 617 CD2 LEU A 158 85.810 80.796 55.012 1.00 5.03 A C -ATOM 618 N LEU A 159 83.136 79.088 59.049 1.00 7.37 A N -ATOM 619 CA LEU A 159 81.805 78.496 59.006 1.00 5.84 A C -ATOM 620 C LEU A 159 81.083 79.048 57.829 1.00 6.28 A C -ATOM 621 O LEU A 159 81.302 80.245 57.603 1.00 7.21 A O -ATOM 622 CB LEU A 159 81.092 78.893 60.238 1.00 2.53 A C -ATOM 623 CG LEU A 159 81.753 78.377 61.486 1.00 2.76 A C -ATOM 624 CD1 LEU A 159 80.994 78.842 62.690 1.00 2.00 A C -ATOM 625 CD2 LEU A 159 81.740 76.851 61.458 1.00 2.00 A C -ATOM 626 N MET A 160 80.207 78.358 57.102 1.00 6.20 A N -ATOM 627 CA MET A 160 79.515 78.971 55.967 1.00 8.01 A C -ATOM 628 C MET A 160 78.061 78.480 55.883 1.00 10.71 A C -ATOM 629 O MET A 160 77.823 77.268 55.958 1.00 12.25 A O -ATOM 630 CB MET A 160 80.191 78.599 54.730 1.00 5.35 A C -ATOM 631 CG MET A 160 79.578 79.314 53.575 1.00 5.63 A C -ATOM 632 SD MET A 160 80.313 78.401 52.222 1.00 5.07 A S -ATOM 633 CE MET A 160 79.695 79.098 50.713 1.00 3.33 A C -ATOM 634 N ASN A 161 77.057 79.340 55.757 1.00 13.89 A N -ATOM 635 CA ASN A 161 75.651 78.956 55.700 1.00 15.11 A C -ATOM 636 C ASN A 161 74.876 79.891 54.813 1.00 15.90 A C -ATOM 637 O ASN A 161 75.374 80.964 54.477 1.00 15.64 A O -ATOM 638 CB ASN A 161 74.930 79.101 56.993 1.00 14.83 A C -ATOM 639 CG ASN A 161 74.976 77.933 57.912 1.00 15.90 A C -ATOM 640 OD1 ASN A 161 74.773 78.019 59.120 1.00 16.29 A O -ATOM 641 ND2 ASN A 161 75.198 76.747 57.430 1.00 17.47 A N -ATOM 642 N GLU A 162 73.662 79.542 54.386 1.00 17.72 A N -ATOM 643 CA GLU A 162 72.848 80.458 53.602 1.00 16.64 A C -ATOM 644 C GLU A 162 72.580 81.584 54.596 1.00 15.99 A C -ATOM 645 O GLU A 162 72.516 81.390 55.839 1.00 14.86 A O -ATOM 646 CB GLU A 162 71.523 79.936 53.248 1.00 18.58 A C -ATOM 647 CG GLU A 162 71.692 78.932 52.160 1.00 24.37 A C -ATOM 648 CD GLU A 162 70.420 78.709 51.358 1.00 27.36 A C -ATOM 649 OE1 GLU A 162 69.789 79.680 50.893 1.00 29.87 A O -ATOM 650 OE2 GLU A 162 70.074 77.546 51.189 1.00 29.17 A O1- -ATOM 651 N LEU A 163 72.521 82.795 54.034 1.00 13.96 A N -ATOM 652 CA LEU A 163 72.262 83.992 54.839 1.00 12.43 A C -ATOM 653 C LEU A 163 70.919 83.822 55.548 1.00 11.06 A C -ATOM 654 O LEU A 163 69.920 83.531 54.881 1.00 10.70 A O -ATOM 655 CB LEU A 163 72.212 85.207 53.928 1.00 11.68 A C -ATOM 656 CG LEU A 163 71.961 86.569 54.560 1.00 11.42 A C -ATOM 657 CD1 LEU A 163 73.002 86.875 55.650 1.00 10.68 A C -ATOM 658 CD2 LEU A 163 71.877 87.569 53.423 1.00 12.37 A C -ATOM 659 N GLY A 164 70.979 83.913 56.873 1.00 9.23 A N -ATOM 660 CA GLY A 164 69.791 83.803 57.631 1.00 7.36 A C -ATOM 661 C GLY A 164 69.800 82.501 58.392 1.00 10.35 A C -ATOM 662 O GLY A 164 69.175 82.461 59.483 1.00 9.56 A O -ATOM 663 N VAL A 165 70.424 81.391 57.945 1.00 10.12 A N -ATOM 664 CA VAL A 165 70.291 80.242 58.860 1.00 11.02 A C -ATOM 665 C VAL A 165 71.456 80.384 59.829 1.00 10.80 A C -ATOM 666 O VAL A 165 72.566 80.649 59.396 1.00 10.08 A O -ATOM 667 CB VAL A 165 70.198 78.828 58.040 1.00 11.59 A C -ATOM 668 CG1 VAL A 165 70.181 79.102 56.541 1.00 8.46 A C -ATOM 669 CG2 VAL A 165 71.239 77.841 58.486 1.00 9.15 A C -ATOM 670 N PRO A 166 71.239 80.402 61.151 1.00 11.37 A N -ATOM 671 CA PRO A 166 72.308 80.597 62.124 1.00 11.80 A C -ATOM 672 C PRO A 166 73.284 79.414 62.212 1.00 13.57 A C -ATOM 673 O PRO A 166 72.971 78.294 61.790 1.00 16.23 A O -ATOM 674 CB PRO A 166 71.555 80.867 63.398 1.00 11.04 A C -ATOM 675 CG PRO A 166 70.302 80.041 63.256 1.00 10.96 A C -ATOM 676 CD PRO A 166 69.948 80.197 61.787 1.00 10.84 A C -ATOM 677 N PHE A 167 74.432 79.581 62.891 1.00 12.62 A N -ATOM 678 CA PHE A 167 75.421 78.535 62.991 1.00 10.52 A C -ATOM 679 C PHE A 167 75.175 77.527 64.072 1.00 11.45 A C -ATOM 680 O PHE A 167 75.702 77.563 65.195 1.00 11.74 A O -ATOM 681 CB PHE A 167 76.836 79.120 63.202 1.00 9.36 A C -ATOM 682 CG PHE A 167 77.234 80.110 62.124 1.00 5.43 A C -ATOM 683 CD1 PHE A 167 77.163 79.742 60.809 1.00 5.44 A C -ATOM 684 CD2 PHE A 167 77.550 81.388 62.473 1.00 4.31 A C -ATOM 685 CE1 PHE A 167 77.393 80.676 59.826 1.00 4.64 A C -ATOM 686 CE2 PHE A 167 77.770 82.305 61.474 1.00 4.59 A C -ATOM 687 CZ PHE A 167 77.696 81.957 60.159 1.00 2.94 A C -ATOM 688 N HIS A 168 74.305 76.646 63.641 1.00 10.75 A N -ATOM 689 CA HIS A 168 73.861 75.506 64.419 1.00 11.32 A C -ATOM 690 C HIS A 168 74.879 74.394 64.138 1.00 11.97 A C -ATOM 691 O HIS A 168 75.659 74.489 63.176 1.00 11.48 A O -ATOM 692 CB HIS A 168 72.429 75.118 63.978 1.00 10.29 A C -ATOM 693 CG HIS A 168 72.268 74.718 62.538 1.00 8.56 A C -ATOM 694 ND1 HIS A 168 72.218 73.486 62.094 1.00 11.06 A N -ATOM 695 CD2 HIS A 168 72.197 75.530 61.446 1.00 10.47 A C -ATOM 696 CE1 HIS A 168 72.130 73.513 60.766 1.00 11.07 A C -ATOM 697 NE2 HIS A 168 72.119 74.760 60.385 1.00 9.06 A N -ATOM 698 N LEU A 169 74.824 73.270 64.889 1.00 11.81 A N -ATOM 699 CA LEU A 169 75.778 72.153 64.755 1.00 10.15 A C -ATOM 700 C LEU A 169 75.871 71.424 63.448 1.00 9.51 A C -ATOM 701 O LEU A 169 76.783 70.618 63.266 1.00 10.10 A O -ATOM 702 CB LEU A 169 75.538 71.089 65.802 1.00 7.96 A C -ATOM 703 CG LEU A 169 75.958 71.448 67.210 1.00 8.34 A C -ATOM 704 CD1 LEU A 169 75.525 70.368 68.168 1.00 6.63 A C -ATOM 705 CD2 LEU A 169 77.455 71.528 67.285 1.00 8.00 A C -ATOM 706 N GLY A 170 75.013 71.765 62.510 1.00 9.85 A N -ATOM 707 CA GLY A 170 75.062 71.091 61.244 1.00 10.62 A C -ATOM 708 C GLY A 170 75.723 71.930 60.176 1.00 14.10 A C -ATOM 709 O GLY A 170 75.569 71.581 58.994 1.00 15.76 A O -ATOM 710 N THR A 171 76.352 73.055 60.559 1.00 14.56 A N -ATOM 711 CA THR A 171 77.046 74.004 59.707 1.00 14.16 A C -ATOM 712 C THR A 171 78.369 73.385 59.287 1.00 13.47 A C -ATOM 713 O THR A 171 79.049 72.681 60.046 1.00 9.68 A O -ATOM 714 CB THR A 171 77.344 75.295 60.511 1.00 15.78 A C -ATOM 715 OG1 THR A 171 76.092 75.738 61.043 1.00 16.16 A O -ATOM 716 CG2 THR A 171 78.056 76.339 59.693 1.00 14.20 A C -ATOM 717 N ARG A 172 78.805 73.772 58.111 1.00 14.33 A N -ATOM 718 CA ARG A 172 80.034 73.288 57.553 1.00 14.08 A C -ATOM 719 C ARG A 172 81.262 74.114 57.857 1.00 14.43 A C -ATOM 720 O ARG A 172 81.236 75.332 57.608 1.00 13.56 A O -ATOM 721 CB ARG A 172 79.816 73.244 56.106 1.00 15.29 A C -ATOM 722 CG ARG A 172 80.936 72.680 55.379 1.00 17.86 A C -ATOM 723 CD ARG A 172 80.523 72.647 53.927 1.00 18.79 A C -ATOM 724 NE ARG A 172 81.639 71.887 53.457 1.00 23.27 A N -ATOM 725 CZ ARG A 172 82.531 72.414 52.621 1.00 25.57 A C -ATOM 726 NH1 ARG A 172 82.299 73.646 52.127 1.00 25.16 A N1+ -ATOM 727 NH2 ARG A 172 83.607 71.639 52.274 1.00 25.61 A N -ATOM 728 N GLN A 173 82.351 73.504 58.330 1.00 11.62 A N -ATOM 729 CA GLN A 173 83.605 74.219 58.604 1.00 10.13 A C -ATOM 730 C GLN A 173 84.335 74.137 57.269 1.00 8.36 A C -ATOM 731 O GLN A 173 85.060 73.161 57.113 1.00 9.15 A O -ATOM 732 CB GLN A 173 84.351 73.477 59.699 1.00 10.24 A C -ATOM 733 CG GLN A 173 83.351 73.469 60.821 1.00 12.41 A C -ATOM 734 CD GLN A 173 83.854 72.838 62.075 1.00 12.48 A C -ATOM 735 OE1 GLN A 173 84.734 73.414 62.680 1.00 12.92 A O -ATOM 736 NE2 GLN A 173 83.339 71.692 62.528 1.00 14.63 A N -ATOM 737 N VAL A 174 84.309 75.162 56.435 1.00 5.87 A N -ATOM 738 CA VAL A 174 84.918 75.141 55.116 1.00 6.67 A C -ATOM 739 C VAL A 174 86.430 74.945 55.060 1.00 8.32 A C -ATOM 740 O VAL A 174 86.975 74.493 54.025 1.00 7.37 A O -ATOM 741 CB VAL A 174 84.520 76.437 54.405 1.00 6.71 A C -ATOM 742 CG1 VAL A 174 85.167 76.561 53.006 1.00 6.45 A C -ATOM 743 CG2 VAL A 174 83.042 76.439 54.169 1.00 4.43 A C -ATOM 744 N CYS A 175 87.167 75.357 56.109 1.00 8.34 A N -ATOM 745 CA CYS A 175 88.627 75.280 56.153 1.00 10.85 A C -ATOM 746 C CYS A 175 89.166 75.659 57.558 1.00 9.18 A C -ATOM 747 O CYS A 175 88.324 76.024 58.383 1.00 10.97 A O -ATOM 748 CB CYS A 175 89.228 76.219 55.142 1.00 12.83 A C -ATOM 749 SG CYS A 175 88.943 77.993 55.463 1.00 16.66 A S -ATOM 750 N ILE A 176 90.484 75.514 57.874 1.00 9.96 A N -ATOM 751 CA ILE A 176 91.055 75.927 59.190 1.00 8.08 A C -ATOM 752 C ILE A 176 91.460 77.415 59.018 1.00 10.66 A C -ATOM 753 O ILE A 176 92.156 77.756 58.046 1.00 12.47 A O -ATOM 754 CB ILE A 176 92.289 75.100 59.580 1.00 6.70 A C -ATOM 755 CG1 ILE A 176 91.991 73.621 59.643 1.00 5.37 A C -ATOM 756 CG2 ILE A 176 92.626 75.429 61.018 1.00 5.41 A C -ATOM 757 CD1 ILE A 176 93.120 72.686 60.036 1.00 3.15 A C -ATOM 758 N ALA A 177 91.092 78.346 59.911 1.00 10.22 A N -ATOM 759 CA ALA A 177 91.387 79.737 59.716 1.00 11.28 A C -ATOM 760 C ALA A 177 91.103 80.640 60.894 1.00 12.19 A C -ATOM 761 O ALA A 177 90.139 80.478 61.648 1.00 13.24 A O -ATOM 762 CB ALA A 177 90.564 80.300 58.596 1.00 9.61 A C -ATOM 763 N TRP A 178 92.020 81.549 61.180 1.00 13.26 A N -ATOM 764 CA TRP A 178 91.750 82.510 62.206 1.00 12.22 A C -ATOM 765 C TRP A 178 91.746 83.816 61.427 1.00 13.06 A C -ATOM 766 O TRP A 178 91.857 84.856 62.056 1.00 11.48 A O -ATOM 767 CB TRP A 178 92.798 82.558 63.278 1.00 11.68 A C -ATOM 768 CG TRP A 178 94.274 82.318 63.013 1.00 11.69 A C -ATOM 769 CD1 TRP A 178 94.845 81.231 63.603 1.00 11.90 A C -ATOM 770 CD2 TRP A 178 95.194 83.111 62.356 1.00 13.08 A C -ATOM 771 NE1 TRP A 178 96.121 81.341 63.336 1.00 13.45 A N -ATOM 772 CE2 TRP A 178 96.369 82.424 62.599 1.00 12.71 A C -ATOM 773 CE3 TRP A 178 95.243 84.270 61.614 1.00 13.42 A C -ATOM 774 CZ2 TRP A 178 97.597 82.836 62.150 1.00 12.26 A C -ATOM 775 CZ3 TRP A 178 96.473 84.689 61.147 1.00 12.75 A C -ATOM 776 CH2 TRP A 178 97.634 83.990 61.415 1.00 13.30 A C -ATOM 777 N SER A 179 91.745 83.832 60.076 1.00 11.97 A N -ATOM 778 CA SER A 179 91.668 85.031 59.291 1.00 13.57 A C -ATOM 779 C SER A 179 91.227 84.499 57.911 1.00 14.63 A C -ATOM 780 O SER A 179 91.758 83.468 57.492 1.00 14.94 A O -ATOM 781 CB SER A 179 93.028 85.751 59.237 1.00 14.33 A C -ATOM 782 OG SER A 179 92.860 87.044 58.638 1.00 13.42 A O -ATOM 783 N SER A 180 90.225 85.086 57.219 1.00 15.28 A N -ATOM 784 CA SER A 180 89.748 84.569 55.943 1.00 15.27 A C -ATOM 785 C SER A 180 89.253 85.586 54.949 1.00 15.54 A C -ATOM 786 O SER A 180 89.246 86.787 55.209 1.00 15.64 A O -ATOM 787 CB SER A 180 88.594 83.573 56.217 1.00 15.53 A C -ATOM 788 OG SER A 180 87.347 84.167 56.596 1.00 13.70 A O -ATOM 789 N SER A 181 88.835 85.106 53.782 1.00 14.77 A N -ATOM 790 CA SER A 181 88.290 85.959 52.745 1.00 14.65 A C -ATOM 791 C SER A 181 87.772 84.946 51.742 1.00 14.48 A C -ATOM 792 O SER A 181 88.487 84.000 51.398 1.00 13.79 A O -ATOM 793 CB SER A 181 89.339 86.804 52.066 1.00 13.30 A C -ATOM 794 OG SER A 181 88.732 87.469 50.952 1.00 15.61 A O -ATOM 795 N SER A 182 86.481 85.028 51.374 1.00 15.50 A N -ATOM 796 CA SER A 182 85.927 84.112 50.388 1.00 14.49 A C -ATOM 797 C SER A 182 85.282 84.916 49.290 1.00 15.19 A C -ATOM 798 O SER A 182 84.930 86.072 49.547 1.00 17.12 A O -ATOM 799 CB SER A 182 84.852 83.274 51.014 1.00 14.54 A C -ATOM 800 OG SER A 182 85.275 82.739 52.291 1.00 15.09 A O -ATOM 801 N CYS A 183 85.162 84.459 48.062 1.00 14.97 A N -ATOM 802 CA CYS A 183 84.493 85.231 47.031 1.00 13.75 A C -ATOM 803 C CYS A 183 84.056 84.232 45.978 1.00 14.93 A C -ATOM 804 O CYS A 183 84.604 83.133 46.010 1.00 15.06 A O -ATOM 805 CB CYS A 183 85.375 86.324 46.414 1.00 11.43 A C -ATOM 806 SG CYS A 183 87.049 86.047 45.772 1.00 5.54 A S -ATOM 807 N HIS A 184 83.121 84.506 45.071 1.00 16.31 A N -ATOM 808 CA HIS A 184 82.723 83.516 44.109 1.00 15.25 A C -ATOM 809 C HIS A 184 83.012 84.143 42.774 1.00 16.83 A C -ATOM 810 O HIS A 184 82.461 85.185 42.486 1.00 20.61 A O -ATOM 811 CB HIS A 184 81.284 83.241 44.341 1.00 14.97 A C -ATOM 812 CG HIS A 184 80.735 82.199 43.400 1.00 15.01 A C -ATOM 813 ND1 HIS A 184 80.420 80.962 43.735 1.00 15.49 A N -ATOM 814 CD2 HIS A 184 80.496 82.330 42.053 1.00 13.96 A C -ATOM 815 CE1 HIS A 184 80.008 80.344 42.634 1.00 15.77 A C -ATOM 816 NE2 HIS A 184 80.058 81.182 41.619 1.00 14.48 A N -ATOM 817 N ASP A 185 83.703 83.500 41.890 1.00 15.57 A N -ATOM 818 CA ASP A 185 84.046 84.092 40.623 1.00 15.40 A C -ATOM 819 C ASP A 185 83.114 83.856 39.462 1.00 16.15 A C -ATOM 820 O ASP A 185 83.422 84.075 38.270 1.00 15.09 A O -ATOM 821 CB ASP A 185 85.442 83.591 40.339 1.00 16.78 A C -ATOM 822 CG ASP A 185 85.470 82.114 39.919 1.00 19.35 A C -ATOM 823 OD1 ASP A 185 84.601 81.335 40.321 1.00 19.37 A O -ATOM 824 OD2 ASP A 185 86.369 81.747 39.160 1.00 20.06 A O1- -ATOM 825 N GLY A 186 81.900 83.440 39.758 1.00 17.07 A N -ATOM 826 CA GLY A 186 80.962 83.114 38.685 1.00 19.67 A C -ATOM 827 C GLY A 186 80.865 81.612 38.592 1.00 20.24 A C -ATOM 828 O GLY A 186 79.769 81.098 38.768 1.00 21.47 A O -ATOM 829 N LYS A 187 81.982 80.895 38.475 1.00 19.94 A N -ATOM 830 CA LYS A 187 82.000 79.452 38.418 1.00 19.03 A C -ATOM 831 C LYS A 187 82.273 78.720 39.739 1.00 18.40 A C -ATOM 832 O LYS A 187 81.787 77.603 39.809 1.00 19.20 A O -ATOM 833 CB LYS A 187 83.021 79.009 37.426 1.00 21.47 A C -ATOM 834 CG LYS A 187 82.785 79.628 36.077 1.00 23.30 A C -ATOM 835 CD LYS A 187 83.845 79.068 35.155 1.00 25.91 A C -ATOM 836 CE LYS A 187 83.690 79.724 33.779 1.00 27.90 A C -ATOM 837 NZ LYS A 187 84.527 79.047 32.803 1.00 29.01 A N1+ -ATOM 838 N ALA A 188 82.900 79.189 40.845 1.00 14.82 A N -ATOM 839 CA ALA A 188 83.110 78.384 42.062 1.00 11.33 A C -ATOM 840 C ALA A 188 83.565 79.285 43.162 1.00 11.16 A C -ATOM 841 O ALA A 188 83.820 80.467 42.918 1.00 8.30 A O -ATOM 842 CB ALA A 188 84.197 77.384 41.934 1.00 13.53 A C -ATOM 843 N TRP A 189 83.525 78.812 44.394 1.00 11.57 A N -ATOM 844 CA TRP A 189 83.951 79.632 45.491 1.00 12.34 A C -ATOM 845 C TRP A 189 85.465 79.565 45.666 1.00 12.83 A C -ATOM 846 O TRP A 189 86.016 78.495 45.411 1.00 11.34 A O -ATOM 847 CB TRP A 189 83.290 79.151 46.761 1.00 14.21 A C -ATOM 848 CG TRP A 189 81.849 79.636 46.912 1.00 17.61 A C -ATOM 849 CD1 TRP A 189 80.764 78.912 46.468 1.00 18.69 A C -ATOM 850 CD2 TRP A 189 81.471 80.827 47.475 1.00 18.93 A C -ATOM 851 NE1 TRP A 189 79.705 79.642 46.751 1.00 18.07 A N -ATOM 852 CE2 TRP A 189 80.088 80.785 47.345 1.00 19.70 A C -ATOM 853 CE3 TRP A 189 82.094 81.909 48.052 1.00 20.72 A C -ATOM 854 CZ2 TRP A 189 79.317 81.836 47.794 1.00 21.08 A C -ATOM 855 CZ3 TRP A 189 81.316 82.956 48.499 1.00 21.12 A C -ATOM 856 CH2 TRP A 189 79.946 82.922 48.371 1.00 21.10 A C -ATOM 857 N LEU A 190 86.094 80.638 46.189 1.00 12.48 A N -ATOM 858 CA LEU A 190 87.517 80.787 46.502 1.00 12.76 A C -ATOM 859 C LEU A 190 87.555 81.060 48.006 1.00 13.58 A C -ATOM 860 O LEU A 190 86.773 81.876 48.501 1.00 15.43 A O -ATOM 861 CB LEU A 190 88.180 82.006 45.852 1.00 12.94 A C -ATOM 862 CG LEU A 190 89.672 82.244 46.256 1.00 14.98 A C -ATOM 863 CD1 LEU A 190 90.542 81.114 45.737 1.00 13.04 A C -ATOM 864 CD2 LEU A 190 90.151 83.607 45.732 1.00 15.04 A C -ATOM 865 N HIS A 191 88.328 80.380 48.814 1.00 13.19 A N -ATOM 866 CA HIS A 191 88.356 80.700 50.220 1.00 13.47 A C -ATOM 867 C HIS A 191 89.841 80.846 50.535 1.00 14.28 A C -ATOM 868 O HIS A 191 90.595 79.990 50.047 1.00 14.71 A O -ATOM 869 CB HIS A 191 87.810 79.585 51.073 1.00 14.42 A C -ATOM 870 CG HIS A 191 86.364 79.242 50.788 1.00 16.79 A C -ATOM 871 ND1 HIS A 191 85.259 79.886 51.182 1.00 17.03 A N -ATOM 872 CD2 HIS A 191 85.985 78.123 50.081 1.00 16.21 A C -ATOM 873 CE1 HIS A 191 84.226 79.189 50.748 1.00 17.51 A C -ATOM 874 NE2 HIS A 191 84.677 78.126 50.090 1.00 17.49 A N -ATOM 875 N VAL A 192 90.340 81.918 51.176 1.00 12.16 A N -ATOM 876 CA VAL A 192 91.738 81.958 51.487 1.00 12.14 A C -ATOM 877 C VAL A 192 91.583 81.834 52.999 1.00 12.06 A C -ATOM 878 O VAL A 192 90.840 82.589 53.649 1.00 11.24 A O -ATOM 879 CB VAL A 192 92.494 83.299 51.015 1.00 13.75 A C -ATOM 880 CG1 VAL A 192 91.756 83.931 49.836 1.00 11.51 A C -ATOM 881 CG2 VAL A 192 92.784 84.195 52.211 1.00 13.79 A C -ATOM 882 N CYS A 193 92.304 80.892 53.589 1.00 12.21 A N -ATOM 883 CA CYS A 193 92.151 80.643 55.013 1.00 12.85 A C -ATOM 884 C CYS A 193 93.506 80.732 55.632 1.00 11.76 A C -ATOM 885 O CYS A 193 94.447 80.171 55.054 1.00 12.39 A O -ATOM 886 CB CYS A 193 91.583 79.235 55.211 1.00 15.23 A C -ATOM 887 SG CYS A 193 90.160 78.869 54.131 1.00 17.48 A S -ATOM 888 N ILE A 194 93.676 81.372 56.783 1.00 10.82 A N -ATOM 889 CA ILE A 194 94.984 81.479 57.356 1.00 8.91 A C -ATOM 890 C ILE A 194 95.057 80.855 58.750 1.00 10.99 A C -ATOM 891 O ILE A 194 94.223 81.188 59.614 1.00 9.66 A O -ATOM 892 CB ILE A 194 95.322 83.017 57.309 1.00 9.36 A C -ATOM 893 CG1 ILE A 194 95.455 83.524 55.884 1.00 8.15 A C -ATOM 894 CG2 ILE A 194 96.653 83.263 57.984 1.00 11.10 A C -ATOM 895 CD1 ILE A 194 95.542 85.048 55.755 1.00 8.30 A C -ATOM 896 N THR A 195 95.945 79.890 58.991 1.00 9.74 A N -ATOM 897 CA THR A 195 96.077 79.317 60.331 1.00 11.88 A C -ATOM 898 C THR A 195 97.576 79.169 60.494 1.00 13.25 A C -ATOM 899 O THR A 195 98.350 79.367 59.538 1.00 11.15 A O -ATOM 900 CB THR A 195 95.676 77.861 60.630 1.00 11.37 A C -ATOM 901 OG1 THR A 195 95.343 77.278 59.382 1.00 12.23 A O -ATOM 902 CG2 THR A 195 94.745 77.803 61.832 1.00 10.48 A C -ATOM 903 N GLY A 196 97.962 78.843 61.724 1.00 13.19 A N -ATOM 904 CA GLY A 196 99.350 78.624 61.953 1.00 17.36 A C -ATOM 905 C GLY A 196 99.830 79.525 63.037 1.00 19.58 A C -ATOM 906 O GLY A 196 99.098 80.288 63.677 1.00 21.26 A O -ATOM 907 N ASP A 197 101.129 79.334 63.203 1.00 21.92 A N -ATOM 908 CA ASP A 197 101.843 80.083 64.186 1.00 22.13 A C -ATOM 909 C ASP A 197 101.884 81.533 63.728 1.00 21.35 A C -ATOM 910 O ASP A 197 102.034 81.847 62.524 1.00 17.15 A O -ATOM 911 CB ASP A 197 103.222 79.494 64.312 1.00 24.44 A C -ATOM 912 CG ASP A 197 103.337 78.277 65.209 1.00 24.65 A C -ATOM 913 OD1 ASP A 197 102.648 78.155 66.217 1.00 27.04 A O -ATOM 914 OD2 ASP A 197 104.166 77.443 64.897 1.00 25.93 A O1- -ATOM 915 N ASP A 198 101.760 82.392 64.737 1.00 21.28 A N -ATOM 916 CA ASP A 198 101.769 83.828 64.486 1.00 22.46 A C -ATOM 917 C ASP A 198 103.004 84.202 63.743 1.00 23.48 A C -ATOM 918 O ASP A 198 102.898 84.905 62.754 1.00 22.36 A O -ATOM 919 CB ASP A 198 101.809 84.677 65.720 1.00 21.94 A C -ATOM 920 CG ASP A 198 100.615 84.593 66.648 1.00 22.85 A C -ATOM 921 OD1 ASP A 198 99.520 84.224 66.224 1.00 23.48 A O -ATOM 922 OD2 ASP A 198 100.780 84.927 67.817 1.00 22.62 A O1- -ATOM 923 N LYS A 199 104.148 83.641 64.137 1.00 25.83 A N -ATOM 924 CA LYS A 199 105.399 83.961 63.493 1.00 26.88 A C -ATOM 925 C LYS A 199 105.588 83.196 62.222 1.00 26.53 A C -ATOM 926 O LYS A 199 106.495 83.547 61.476 1.00 25.99 A O -ATOM 927 CB LYS A 199 106.556 83.636 64.381 1.00 28.57 A C -ATOM 928 CG LYS A 199 106.407 84.131 65.817 1.00 32.49 A C -ATOM 929 CD LYS A 199 106.320 85.644 66.021 1.00 34.87 A C -ATOM 930 CE LYS A 199 107.672 86.334 65.835 1.00 36.72 A C -ATOM 931 NZ LYS A 199 107.483 87.781 65.696 1.00 38.96 A N1+ -ATOM 932 N ASN A 200 104.774 82.177 61.899 1.00 26.64 A N -ATOM 933 CA ASN A 200 105.008 81.415 60.677 1.00 25.19 A C -ATOM 934 C ASN A 200 103.741 80.811 60.077 1.00 24.68 A C -ATOM 935 O ASN A 200 103.665 79.626 59.745 1.00 24.85 A O -ATOM 936 CB ASN A 200 106.075 80.356 61.045 1.00 23.81 A C -ATOM 937 CG ASN A 200 106.914 79.902 59.872 1.00 23.44 A C -ATOM 938 OD1 ASN A 200 106.894 80.499 58.803 1.00 21.02 A O -ATOM 939 ND2 ASN A 200 107.652 78.806 60.092 1.00 25.08 A N -ATOM 940 N ALA A 201 102.714 81.646 59.912 1.00 23.63 A N -ATOM 941 CA ALA A 201 101.433 81.232 59.383 1.00 21.25 A C -ATOM 942 C ALA A 201 101.418 80.813 57.921 1.00 20.54 A C -ATOM 943 O ALA A 201 102.339 81.216 57.186 1.00 21.69 A O -ATOM 944 CB ALA A 201 100.471 82.374 59.588 1.00 21.68 A C -ATOM 945 N THR A 202 100.450 79.972 57.505 1.00 18.04 A N -ATOM 946 CA THR A 202 100.304 79.532 56.121 1.00 16.25 A C -ATOM 947 C THR A 202 98.849 79.815 55.774 1.00 16.78 A C -ATOM 948 O THR A 202 97.924 79.746 56.590 1.00 18.06 A O -ATOM 949 CB THR A 202 100.727 77.969 55.937 1.00 16.70 A C -ATOM 950 OG1 THR A 202 100.030 77.315 54.860 1.00 13.73 A O -ATOM 951 CG2 THR A 202 100.407 77.197 57.111 1.00 15.53 A C -ATOM 952 N ALA A 203 98.746 80.357 54.573 1.00 15.58 A N -ATOM 953 CA ALA A 203 97.505 80.733 53.984 1.00 14.25 A C -ATOM 954 C ALA A 203 97.133 79.668 52.958 1.00 14.33 A C -ATOM 955 O ALA A 203 97.960 79.505 52.050 1.00 12.38 A O -ATOM 956 CB ALA A 203 97.651 82.056 53.252 1.00 12.34 A C -ATOM 957 N SER A 204 95.969 78.980 52.986 1.00 13.23 A N -ATOM 958 CA SER A 204 95.626 77.975 51.969 1.00 14.62 A C -ATOM 959 C SER A 204 94.646 78.542 50.951 1.00 14.45 A C -ATOM 960 O SER A 204 93.735 79.271 51.332 1.00 15.02 A O -ATOM 961 CB SER A 204 94.999 76.728 52.621 1.00 13.29 A C -ATOM 962 OG SER A 204 95.874 76.250 53.652 1.00 13.36 A O -ATOM 963 N PHE A 205 94.763 78.246 49.655 1.00 15.31 A N -ATOM 964 CA PHE A 205 93.839 78.789 48.680 1.00 12.99 A C -ATOM 965 C PHE A 205 93.007 77.596 48.246 1.00 12.58 A C -ATOM 966 O PHE A 205 93.481 76.711 47.515 1.00 12.30 A O -ATOM 967 CB PHE A 205 94.621 79.397 47.520 1.00 14.53 A C -ATOM 968 CG PHE A 205 95.393 80.627 47.990 1.00 16.93 A C -ATOM 969 CD1 PHE A 205 96.661 80.496 48.544 1.00 17.89 A C -ATOM 970 CD2 PHE A 205 94.812 81.878 47.960 1.00 17.43 A C -ATOM 971 CE1 PHE A 205 97.328 81.596 49.052 1.00 17.90 A C -ATOM 972 CE2 PHE A 205 95.488 82.974 48.468 1.00 17.96 A C -ATOM 973 CZ PHE A 205 96.739 82.834 49.024 1.00 17.61 A C -ATOM 974 N ILE A 206 91.756 77.535 48.721 1.00 8.96 A N -ATOM 975 CA ILE A 206 90.899 76.426 48.397 1.00 6.99 A C -ATOM 976 C ILE A 206 89.984 76.935 47.338 1.00 8.74 A C -ATOM 977 O ILE A 206 89.284 77.903 47.577 1.00 11.80 A O -ATOM 978 CB ILE A 206 90.177 76.040 49.653 1.00 3.66 A C -ATOM 979 CG1 ILE A 206 91.244 75.442 50.506 1.00 3.13 A C -ATOM 980 CG2 ILE A 206 89.010 75.102 49.437 1.00 2.00 A C -ATOM 981 CD1 ILE A 206 90.799 75.583 51.963 1.00 2.00 A C -ATOM 982 N TYR A 207 89.897 76.292 46.214 1.00 11.12 A N -ATOM 983 CA TYR A 207 89.066 76.703 45.122 1.00 11.13 A C -ATOM 984 C TYR A 207 88.242 75.499 44.676 1.00 14.34 A C -ATOM 985 O TYR A 207 88.775 74.430 44.363 1.00 12.80 A O -ATOM 986 CB TYR A 207 89.873 77.101 43.918 1.00 9.83 A C -ATOM 987 CG TYR A 207 89.020 77.643 42.782 1.00 8.75 A C -ATOM 988 CD1 TYR A 207 88.428 78.871 42.891 1.00 9.85 A C -ATOM 989 CD2 TYR A 207 88.857 76.915 41.645 1.00 8.85 A C -ATOM 990 CE1 TYR A 207 87.662 79.387 41.866 1.00 10.15 A C -ATOM 991 CE2 TYR A 207 88.109 77.412 40.617 1.00 9.04 A C -ATOM 992 CZ TYR A 207 87.520 78.627 40.742 1.00 9.64 A C -ATOM 993 OH TYR A 207 86.690 79.061 39.759 1.00 8.65 A O -ATOM 994 N ASP A 208 86.917 75.663 44.616 1.00 15.77 A N -ATOM 995 CA ASP A 208 86.043 74.624 44.167 1.00 16.39 A C -ATOM 996 C ASP A 208 86.283 73.314 44.878 1.00 16.52 A C -ATOM 997 O ASP A 208 86.467 72.254 44.289 1.00 16.39 A O -ATOM 998 CB ASP A 208 86.256 74.573 42.670 1.00 18.49 A C -ATOM 999 CG ASP A 208 85.312 73.682 41.932 1.00 21.51 A C -ATOM 1000 OD1 ASP A 208 84.107 73.881 41.985 1.00 23.45 A O -ATOM 1001 OD2 ASP A 208 85.799 72.766 41.289 1.00 24.85 A O1- -ATOM 1002 N GLY A 209 86.430 73.426 46.189 1.00 16.47 A N -ATOM 1003 CA GLY A 209 86.597 72.244 46.991 1.00 17.49 A C -ATOM 1004 C GLY A 209 87.988 71.705 47.100 1.00 19.78 A C -ATOM 1005 O GLY A 209 88.232 71.065 48.117 1.00 22.81 A O -ATOM 1006 N ARG A 210 88.923 71.942 46.182 1.00 20.44 A N -ATOM 1007 CA ARG A 210 90.290 71.447 46.252 1.00 19.70 A C -ATOM 1008 C ARG A 210 91.322 72.417 46.823 1.00 18.67 A C -ATOM 1009 O ARG A 210 91.131 73.624 46.685 1.00 18.15 A O -ATOM 1010 CB ARG A 210 90.859 71.108 44.886 1.00 22.59 A C -ATOM 1011 CG ARG A 210 89.981 71.067 43.640 1.00 24.91 A C -ATOM 1012 CD ARG A 210 89.828 69.600 43.364 1.00 28.85 A C -ATOM 1013 NE ARG A 210 89.018 69.297 42.191 1.00 31.54 A N -ATOM 1014 CZ ARG A 210 87.680 69.232 42.226 1.00 31.99 A C -ATOM 1015 NH1 ARG A 210 86.964 69.424 43.352 1.00 32.53 A N1+ -ATOM 1016 NH2 ARG A 210 87.070 68.946 41.079 1.00 32.23 A N -ATOM 1017 N LEU A 211 92.427 72.001 47.483 1.00 16.68 A N -ATOM 1018 CA LEU A 211 93.463 72.936 47.935 1.00 15.50 A C -ATOM 1019 C LEU A 211 94.148 73.196 46.607 1.00 15.96 A C -ATOM 1020 O LEU A 211 94.377 72.203 45.918 1.00 15.13 A O -ATOM 1021 CB LEU A 211 94.558 72.374 48.750 1.00 14.97 A C -ATOM 1022 CG LEU A 211 95.201 73.414 49.646 1.00 16.24 A C -ATOM 1023 CD1 LEU A 211 94.595 73.374 51.029 1.00 15.31 A C -ATOM 1024 CD2 LEU A 211 96.643 73.094 49.834 1.00 16.74 A C -ATOM 1025 N VAL A 212 94.442 74.412 46.129 1.00 16.38 A N -ATOM 1026 CA VAL A 212 95.102 74.624 44.833 1.00 14.08 A C -ATOM 1027 C VAL A 212 96.442 75.362 45.026 1.00 15.50 A C -ATOM 1028 O VAL A 212 97.287 75.323 44.125 1.00 16.40 A O -ATOM 1029 CB VAL A 212 94.182 75.459 43.909 1.00 14.15 A C -ATOM 1030 CG1 VAL A 212 94.822 75.666 42.550 1.00 12.84 A C -ATOM 1031 CG2 VAL A 212 92.918 74.735 43.649 1.00 11.26 A C -ATOM 1032 N ASP A 213 96.729 75.997 46.182 1.00 14.82 A N -ATOM 1033 CA ASP A 213 97.964 76.729 46.395 1.00 12.45 A C -ATOM 1034 C ASP A 213 98.141 77.132 47.851 1.00 11.86 A C -ATOM 1035 O ASP A 213 97.214 76.928 48.611 1.00 9.52 A O -ATOM 1036 CB ASP A 213 97.955 77.985 45.633 1.00 14.33 A C -ATOM 1037 CG ASP A 213 99.269 78.342 44.990 1.00 16.52 A C -ATOM 1038 OD1 ASP A 213 100.308 78.081 45.593 1.00 18.46 A O -ATOM 1039 OD2 ASP A 213 99.246 78.889 43.876 1.00 15.55 A O1- -ATOM 1040 N SER A 214 99.291 77.608 48.294 1.00 11.80 A N -ATOM 1041 CA SER A 214 99.473 78.063 49.665 1.00 14.83 A C -ATOM 1042 C SER A 214 100.660 79.023 49.638 1.00 15.33 A C -ATOM 1043 O SER A 214 101.411 79.059 48.632 1.00 13.50 A O -ATOM 1044 CB SER A 214 99.795 76.921 50.629 1.00 17.49 A C -ATOM 1045 OG SER A 214 100.725 75.994 50.084 1.00 19.42 A O -ATOM 1046 N ILE A 215 100.794 79.857 50.682 1.00 14.98 A N -ATOM 1047 CA ILE A 215 101.871 80.819 50.788 1.00 16.37 A C -ATOM 1048 C ILE A 215 102.236 80.895 52.264 1.00 15.25 A C -ATOM 1049 O ILE A 215 101.375 80.681 53.110 1.00 14.84 A O -ATOM 1050 CB ILE A 215 101.414 82.213 50.241 1.00 18.03 A C -ATOM 1051 CG1 ILE A 215 102.660 82.900 49.719 1.00 18.83 A C -ATOM 1052 CG2 ILE A 215 100.749 83.112 51.332 1.00 17.84 A C -ATOM 1053 CD1 ILE A 215 102.372 84.289 49.138 1.00 20.27 A C -ATOM 1054 N GLY A 216 103.485 81.135 52.629 1.00 15.24 A N -ATOM 1055 CA GLY A 216 103.840 81.220 54.037 1.00 13.48 A C -ATOM 1056 C GLY A 216 104.039 82.695 54.336 1.00 15.52 A C -ATOM 1057 O GLY A 216 104.177 83.532 53.442 1.00 13.66 A O -ATOM 1058 N SER A 217 104.128 82.986 55.612 1.00 14.89 A N -ATOM 1059 CA SER A 217 104.321 84.319 56.087 1.00 17.95 A C -ATOM 1060 C SER A 217 105.604 85.007 55.625 1.00 20.34 A C -ATOM 1061 O SER A 217 106.696 84.522 55.936 1.00 22.42 A O -ATOM 1062 CB SER A 217 104.263 84.221 57.571 1.00 16.67 A C -ATOM 1063 OG SER A 217 104.397 85.508 58.093 1.00 18.21 A O -ATOM 1064 N TRP A 218 105.496 86.158 54.936 1.00 20.99 A N -ATOM 1065 CA TRP A 218 106.632 86.899 54.453 1.00 19.71 A C -ATOM 1066 C TRP A 218 107.262 87.738 55.523 1.00 21.58 A C -ATOM 1067 O TRP A 218 108.484 87.845 55.499 1.00 24.40 A O -ATOM 1068 CB TRP A 218 106.278 87.815 53.290 1.00 20.88 A C -ATOM 1069 CG TRP A 218 104.959 88.581 53.316 1.00 21.72 A C -ATOM 1070 CD1 TRP A 218 104.829 89.822 53.888 1.00 22.16 A C -ATOM 1071 CD2 TRP A 218 103.788 88.158 52.731 1.00 22.34 A C -ATOM 1072 NE1 TRP A 218 103.594 90.195 53.655 1.00 22.16 A N -ATOM 1073 CE2 TRP A 218 102.945 89.239 52.963 1.00 22.83 A C -ATOM 1074 CE3 TRP A 218 103.340 87.052 52.045 1.00 21.05 A C -ATOM 1075 CZ2 TRP A 218 101.635 89.200 52.508 1.00 22.68 A C -ATOM 1076 CZ3 TRP A 218 102.042 87.038 51.599 1.00 20.95 A C -ATOM 1077 CH2 TRP A 218 101.193 88.088 51.826 1.00 21.81 A C -ATOM 1078 N SER A 219 106.589 88.400 56.440 1.00 20.55 A N -ATOM 1079 CA SER A 219 107.295 89.145 57.447 1.00 21.40 A C -ATOM 1080 C SER A 219 107.262 88.448 58.779 1.00 21.82 A C -ATOM 1081 O SER A 219 107.465 89.124 59.778 1.00 22.04 A O -ATOM 1082 CB SER A 219 106.717 90.551 57.639 1.00 21.38 A C -ATOM 1083 OG SER A 219 106.724 91.247 56.422 1.00 23.34 A O -ATOM 1084 N GLN A 220 106.930 87.167 58.908 1.00 22.58 A N -ATOM 1085 CA GLN A 220 106.964 86.501 60.212 1.00 22.98 A C -ATOM 1086 C GLN A 220 106.247 87.127 61.397 1.00 23.98 A C -ATOM 1087 O GLN A 220 106.552 86.925 62.585 1.00 23.73 A O -ATOM 1088 CB GLN A 220 108.434 86.252 60.579 1.00 24.52 A C -ATOM 1089 CG GLN A 220 109.157 85.275 59.642 1.00 28.22 A C -ATOM 1090 CD GLN A 220 109.606 85.895 58.322 1.00 31.58 A C -ATOM 1091 OE1 GLN A 220 110.345 86.885 58.332 1.00 34.49 A O -ATOM 1092 NE2 GLN A 220 109.226 85.453 57.124 1.00 32.02 A N -ATOM 1093 N ASN A 221 105.195 87.873 61.068 1.00 24.29 A N -ATOM 1094 CA ASN A 221 104.412 88.508 62.099 1.00 25.22 A C -ATOM 1095 C ASN A 221 102.951 88.666 61.683 1.00 24.53 A C -ATOM 1096 O ASN A 221 102.599 89.633 60.994 1.00 25.26 A O -ATOM 1097 CB ASN A 221 104.997 89.877 62.430 1.00 27.08 A C -ATOM 1098 CG ASN A 221 104.484 90.308 63.784 1.00 28.43 A C -ATOM 1099 OD1 ASN A 221 104.139 89.486 64.624 1.00 31.35 A O -ATOM 1100 ND2 ASN A 221 104.365 91.578 64.111 1.00 29.71 A N -ATOM 1101 N ILE A 222 102.193 87.601 62.028 1.00 21.08 A N -ATOM 1102 CA ILE A 222 100.765 87.396 61.790 1.00 17.10 A C -ATOM 1103 C ILE A 222 100.259 87.719 60.399 1.00 16.29 A C -ATOM 1104 O ILE A 222 99.796 88.818 60.120 1.00 18.20 A O -ATOM 1105 CB ILE A 222 100.008 88.191 62.863 1.00 15.67 A C -ATOM 1106 CG1 ILE A 222 100.529 87.708 64.182 1.00 15.05 A C -ATOM 1107 CG2 ILE A 222 98.499 87.959 62.828 1.00 16.13 A C -ATOM 1108 CD1 ILE A 222 99.815 88.254 65.414 1.00 15.90 A C -ATOM 1109 N LEU A 223 100.367 86.798 59.456 1.00 15.03 A N -ATOM 1110 CA LEU A 223 99.883 87.035 58.093 1.00 13.93 A C -ATOM 1111 C LEU A 223 98.361 87.204 58.281 1.00 15.13 A C -ATOM 1112 O LEU A 223 97.767 86.336 58.921 1.00 15.59 A O -ATOM 1113 CB LEU A 223 100.283 85.814 57.333 1.00 12.74 A C -ATOM 1114 CG LEU A 223 99.943 85.674 55.891 1.00 13.37 A C -ATOM 1115 CD1 LEU A 223 100.563 86.766 55.036 1.00 12.32 A C -ATOM 1116 CD2 LEU A 223 100.425 84.291 55.493 1.00 13.90 A C -ATOM 1117 N ARG A 224 97.681 88.262 57.822 1.00 14.84 A N -ATOM 1118 CA ARG A 224 96.265 88.469 58.045 1.00 15.69 A C -ATOM 1119 C ARG A 224 95.656 88.873 56.736 1.00 15.66 A C -ATOM 1120 O ARG A 224 96.423 89.226 55.833 1.00 17.32 A O -ATOM 1121 CB ARG A 224 95.971 89.623 58.955 1.00 17.53 A C -ATOM 1122 CG ARG A 224 97.050 90.153 59.859 1.00 19.78 A C -ATOM 1123 CD ARG A 224 97.224 91.678 59.998 1.00 22.38 A C -ATOM 1124 NE ARG A 224 98.392 91.814 60.863 1.00 25.99 A N -ATOM 1125 CZ ARG A 224 99.330 92.763 60.820 1.00 26.25 A C -ATOM 1126 NH1 ARG A 224 99.318 93.835 60.041 1.00 27.78 A N1+ -ATOM 1127 NH2 ARG A 224 100.310 92.669 61.681 1.00 28.54 A N -ATOM 1128 N THR A 225 94.317 88.975 56.627 1.00 15.20 A N -ATOM 1129 CA THR A 225 93.634 89.385 55.394 1.00 14.23 A C -ATOM 1130 C THR A 225 92.278 90.057 55.691 1.00 15.85 A C -ATOM 1131 O THR A 225 91.905 90.301 56.871 1.00 17.01 A O -ATOM 1132 CB THR A 225 93.504 88.128 54.503 1.00 14.21 A C -ATOM 1133 OG1 THR A 225 93.140 88.587 53.204 1.00 11.86 A O -ATOM 1134 CG2 THR A 225 92.540 87.103 55.051 1.00 12.27 A C -ATOM 1135 N GLN A 226 91.560 90.360 54.609 1.00 13.97 A N -ATOM 1136 CA GLN A 226 90.284 91.001 54.627 1.00 14.66 A C -ATOM 1137 C GLN A 226 89.277 90.879 55.776 1.00 15.95 A C -ATOM 1138 O GLN A 226 88.893 91.878 56.395 1.00 19.24 A O -ATOM 1139 CB GLN A 226 89.562 90.582 53.420 1.00 16.46 A C -ATOM 1140 CG GLN A 226 89.181 91.478 52.283 1.00 17.97 A C -ATOM 1141 CD GLN A 226 90.348 91.613 51.387 1.00 17.10 A C -ATOM 1142 OE1 GLN A 226 90.349 91.355 50.202 1.00 17.34 A O -ATOM 1143 NE2 GLN A 226 91.438 92.028 51.992 1.00 21.74 A N -ATOM 1144 N GLU A 227 88.778 89.651 56.000 1.00 13.29 A N -ATOM 1145 CA GLU A 227 87.757 89.258 56.958 1.00 11.35 A C -ATOM 1146 C GLU A 227 86.432 89.696 56.367 1.00 8.55 A C -ATOM 1147 O GLU A 227 85.451 89.981 57.062 1.00 6.37 A O -ATOM 1148 CB GLU A 227 87.881 89.867 58.378 1.00 14.42 A C -ATOM 1149 CG GLU A 227 89.218 89.795 59.017 1.00 18.18 A C -ATOM 1150 CD GLU A 227 89.852 88.415 59.270 1.00 22.37 A C -ATOM 1151 OE1 GLU A 227 89.899 87.645 58.311 1.00 23.33 A O -ATOM 1152 OE2 GLU A 227 90.364 88.130 60.378 1.00 23.57 A O1- -ATOM 1153 N SER A 228 86.336 89.718 55.022 1.00 3.95 A N -ATOM 1154 CA SER A 228 85.130 90.053 54.343 1.00 2.82 A C -ATOM 1155 C SER A 228 85.438 89.587 52.920 1.00 5.50 A C -ATOM 1156 O SER A 228 86.485 88.988 52.614 1.00 4.28 A O -ATOM 1157 CB SER A 228 84.820 91.576 54.434 1.00 4.84 A C -ATOM 1158 OG SER A 228 85.461 92.406 53.438 1.00 2.00 A O -ATOM 1159 N GLU A 229 84.589 89.834 51.978 1.00 8.31 A N -ATOM 1160 CA GLU A 229 84.774 89.338 50.634 1.00 9.87 A C -ATOM 1161 C GLU A 229 85.889 89.774 49.686 1.00 10.90 A C -ATOM 1162 O GLU A 229 86.174 90.978 49.529 1.00 13.31 A O -ATOM 1163 CB GLU A 229 83.381 89.570 50.122 1.00 11.21 A C -ATOM 1164 CG GLU A 229 83.144 89.603 48.669 1.00 14.39 A C -ATOM 1165 CD GLU A 229 81.779 90.151 48.352 1.00 15.02 A C -ATOM 1166 OE1 GLU A 229 81.607 91.341 48.493 1.00 12.93 A O -ATOM 1167 OE2 GLU A 229 80.905 89.404 47.898 1.00 17.48 A O1- -ATOM 1168 N CYS A 230 86.509 88.811 48.990 1.00 9.49 A N -ATOM 1169 CA CYS A 230 87.511 89.185 47.988 1.00 9.50 A C -ATOM 1170 C CYS A 230 86.701 89.507 46.715 1.00 8.22 A C -ATOM 1171 O CYS A 230 85.442 89.455 46.779 1.00 8.38 A O -ATOM 1172 CB CYS A 230 88.488 88.023 47.777 1.00 7.13 A C -ATOM 1173 SG CYS A 230 87.787 86.349 47.654 1.00 6.43 A S -ATOM 1174 N VAL A 231 87.177 89.931 45.532 1.00 5.46 A N -ATOM 1175 CA VAL A 231 86.224 90.152 44.460 1.00 8.01 A C -ATOM 1176 C VAL A 231 86.975 89.674 43.211 1.00 8.50 A C -ATOM 1177 O VAL A 231 88.194 89.770 43.157 1.00 8.28 A O -ATOM 1178 CB VAL A 231 85.723 91.693 44.441 1.00 9.19 A C -ATOM 1179 CG1 VAL A 231 86.263 92.482 45.627 1.00 6.62 A C -ATOM 1180 CG2 VAL A 231 86.120 92.363 43.162 1.00 8.50 A C -ATOM 1181 N CYS A 232 86.292 89.002 42.302 1.00 10.57 A N -ATOM 1182 CA CYS A 232 86.863 88.436 41.104 1.00 13.95 A C -ATOM 1183 C CYS A 232 86.245 89.116 39.890 1.00 15.47 A C -ATOM 1184 O CYS A 232 85.032 89.384 39.916 1.00 17.03 A O -ATOM 1185 CB CYS A 232 86.555 86.903 41.114 1.00 12.56 A C -ATOM 1186 SG CYS A 232 86.753 86.075 42.737 1.00 16.75 A S -ATOM 1187 N ILE A 233 87.024 89.430 38.845 1.00 16.82 A N -ATOM 1188 CA ILE A 233 86.518 90.038 37.623 1.00 18.65 A C -ATOM 1189 C ILE A 233 87.119 89.193 36.510 1.00 23.05 A C -ATOM 1190 O ILE A 233 88.327 88.940 36.525 1.00 24.40 A O -ATOM 1191 CB ILE A 233 86.982 91.485 37.399 1.00 16.90 A C -ATOM 1192 CG1 ILE A 233 86.487 92.376 38.514 1.00 15.24 A C -ATOM 1193 CG2 ILE A 233 86.402 92.007 36.095 1.00 15.91 A C -ATOM 1194 CD1 ILE A 233 86.719 93.863 38.272 1.00 15.24 A C -ATOM 1195 N ASN A 234 86.324 88.652 35.596 1.00 27.64 A N -ATOM 1196 CA ASN A 234 86.810 87.859 34.480 1.00 32.24 A C -ATOM 1197 C ASN A 234 87.628 86.627 34.807 1.00 31.09 A C -ATOM 1198 O ASN A 234 88.299 86.098 33.929 1.00 31.11 A O -ATOM 1199 CB ASN A 234 87.662 88.689 33.544 1.00 38.82 A C -ATOM 1200 CG ASN A 234 86.913 89.762 32.784 1.00 45.53 A C -ATOM 1201 OD1 ASN A 234 86.246 90.623 33.371 1.00 46.98 A O -ATOM 1202 ND2 ASN A 234 87.023 89.787 31.457 1.00 50.99 A N -ATOM 1203 N GLY A 235 87.590 86.069 36.007 1.00 28.93 A N -ATOM 1204 CA GLY A 235 88.380 84.888 36.284 1.00 26.49 A C -ATOM 1205 C GLY A 235 89.465 85.159 37.290 1.00 25.43 A C -ATOM 1206 O GLY A 235 89.842 84.205 37.966 1.00 26.44 A O -ATOM 1207 N THR A 236 89.933 86.402 37.498 1.00 23.58 A N -ATOM 1208 CA THR A 236 90.992 86.685 38.463 1.00 21.15 A C -ATOM 1209 C THR A 236 90.399 87.228 39.754 1.00 20.35 A C -ATOM 1210 O THR A 236 89.586 88.151 39.708 1.00 20.64 A O -ATOM 1211 CB THR A 236 91.923 87.680 37.766 1.00 22.34 A C -ATOM 1212 OG1 THR A 236 92.187 87.100 36.488 1.00 22.65 A O -ATOM 1213 CG2 THR A 236 93.227 87.937 38.484 1.00 20.97 A C -ATOM 1214 N CYS A 237 90.710 86.690 40.916 1.00 18.51 A N -ATOM 1215 CA CYS A 237 90.145 87.182 42.168 1.00 17.44 A C -ATOM 1216 C CYS A 237 91.237 87.935 42.881 1.00 16.47 A C -ATOM 1217 O CYS A 237 92.379 87.463 42.781 1.00 15.70 A O -ATOM 1218 CB CYS A 237 89.665 85.994 42.994 1.00 17.25 A C -ATOM 1219 SG CYS A 237 88.388 85.014 42.148 1.00 18.17 A S -ATOM 1220 N THR A 238 91.058 89.064 43.554 1.00 14.44 A N -ATOM 1221 CA THR A 238 92.231 89.653 44.155 1.00 15.29 A C -ATOM 1222 C THR A 238 92.005 89.704 45.650 1.00 15.56 A C -ATOM 1223 O THR A 238 90.824 89.781 46.017 1.00 15.86 A O -ATOM 1224 CB THR A 238 92.407 91.028 43.462 1.00 16.55 A C -ATOM 1225 OG1 THR A 238 93.521 91.606 44.134 1.00 17.68 A O -ATOM 1226 CG2 THR A 238 91.215 91.963 43.505 1.00 17.45 A C -ATOM 1227 N VAL A 239 92.998 89.518 46.515 1.00 13.91 A N -ATOM 1228 CA VAL A 239 92.727 89.610 47.953 1.00 15.74 A C -ATOM 1229 C VAL A 239 93.858 90.479 48.467 1.00 16.54 A C -ATOM 1230 O VAL A 239 94.898 90.516 47.790 1.00 18.47 A O -ATOM 1231 CB VAL A 239 92.726 88.194 48.695 1.00 15.38 A C -ATOM 1232 CG1 VAL A 239 94.100 87.617 48.752 1.00 15.81 A C -ATOM 1233 CG2 VAL A 239 92.433 88.317 50.180 1.00 15.69 A C -ATOM 1234 N VAL A 240 93.776 91.184 49.598 1.00 15.65 A N -ATOM 1235 CA VAL A 240 94.901 91.984 49.990 1.00 16.02 A C -ATOM 1236 C VAL A 240 95.260 91.379 51.325 1.00 16.33 A C -ATOM 1237 O VAL A 240 94.314 91.173 52.104 1.00 16.66 A O -ATOM 1238 CB VAL A 240 94.597 93.579 50.147 1.00 15.97 A C -ATOM 1239 CG1 VAL A 240 93.605 94.023 49.062 1.00 13.83 A C -ATOM 1240 CG2 VAL A 240 94.068 93.965 51.509 1.00 16.04 A C -ATOM 1241 N MET A 241 96.545 91.106 51.606 1.00 14.36 A N -ATOM 1242 CA MET A 241 96.961 90.526 52.882 1.00 16.32 A C -ATOM 1243 C MET A 241 98.077 91.341 53.506 1.00 15.58 A C -ATOM 1244 O MET A 241 98.739 92.088 52.769 1.00 14.27 A O -ATOM 1245 CB MET A 241 97.524 89.115 52.725 1.00 16.66 A C -ATOM 1246 CG MET A 241 96.609 88.114 52.088 1.00 17.09 A C -ATOM 1247 SD MET A 241 97.336 86.465 52.168 1.00 16.16 A S -ATOM 1248 CE MET A 241 97.112 86.395 50.433 1.00 16.01 A C -ATOM 1249 N THR A 242 98.316 91.323 54.810 1.00 15.88 A N -ATOM 1250 CA THR A 242 99.426 92.089 55.285 1.00 18.11 A C -ATOM 1251 C THR A 242 100.076 91.251 56.359 1.00 19.22 A C -ATOM 1252 O THR A 242 99.429 90.381 56.952 1.00 19.73 A O -ATOM 1253 CB THR A 242 99.005 93.566 55.788 1.00 20.26 A C -ATOM 1254 OG1 THR A 242 99.060 93.680 57.211 1.00 21.00 A O -ATOM 1255 CG2 THR A 242 97.648 93.928 55.273 1.00 19.62 A C -ATOM 1256 N ASP A 243 101.365 91.484 56.591 1.00 19.36 A N -ATOM 1257 CA ASP A 243 102.169 90.755 57.558 1.00 19.19 A C -ATOM 1258 C ASP A 243 103.079 91.806 58.126 1.00 18.94 A C -ATOM 1259 O ASP A 243 103.647 92.543 57.316 1.00 18.09 A O -ATOM 1260 CB ASP A 243 102.951 89.747 56.779 1.00 19.15 A C -ATOM 1261 CG ASP A 243 103.505 88.536 57.478 1.00 19.44 A C -ATOM 1262 OD1 ASP A 243 103.645 88.497 58.706 1.00 17.47 A O -ATOM 1263 OD2 ASP A 243 103.781 87.610 56.710 1.00 20.47 A O1- -ATOM 1264 N GLY A 244 103.291 91.968 59.414 1.00 19.69 A N -ATOM 1265 CA GLY A 244 104.172 93.007 59.857 1.00 21.13 A C -ATOM 1266 C GLY A 244 103.686 93.497 61.191 1.00 24.59 A C -ATOM 1267 O GLY A 244 103.051 92.755 61.936 1.00 24.30 A O -ATOM 1268 N SER A 245 103.985 94.733 61.546 1.00 26.79 A N -ATOM 1269 CA SER A 245 103.543 95.227 62.825 1.00 29.19 A C -ATOM 1270 C SER A 245 102.081 95.637 62.779 1.00 29.95 A C -ATOM 1271 O SER A 245 101.550 95.993 61.723 1.00 31.02 A O -ATOM 1272 CB SER A 245 104.415 96.396 63.191 1.00 29.99 A C -ATOM 1273 OG SER A 245 104.247 96.599 64.590 1.00 31.83 A O -ATOM 1274 N ALA A 246 101.429 95.598 63.944 1.00 31.51 A N -ATOM 1275 CA ALA A 246 100.024 95.973 64.083 1.00 32.60 A C -ATOM 1276 C ALA A 246 99.961 97.473 64.097 1.00 33.80 A C -ATOM 1277 O ALA A 246 99.112 98.080 63.443 1.00 35.06 A O -ATOM 1278 CB ALA A 246 99.389 95.568 65.402 1.00 32.34 A C -ATOM 1279 N SER A 247 100.852 98.050 64.886 1.00 33.86 A N -ATOM 1280 CA SER A 247 100.943 99.480 65.026 1.00 34.52 A C -ATOM 1281 C SER A 247 102.424 99.727 64.876 1.00 33.45 A C -ATOM 1282 O SER A 247 103.190 99.650 65.840 1.00 33.45 A O -ATOM 1283 CB SER A 247 100.444 99.901 66.411 1.00 36.04 A C -ATOM 1284 OG SER A 247 99.073 99.499 66.514 1.00 38.86 A O -ATOM 1285 N GLY A 248 102.732 99.867 63.598 1.00 30.87 A N -ATOM 1286 CA GLY A 248 104.052 100.107 63.115 1.00 31.23 A C -ATOM 1287 C GLY A 248 104.006 99.925 61.615 1.00 31.53 A C -ATOM 1288 O GLY A 248 102.946 99.692 61.052 1.00 30.48 A O -ATOM 1289 N ARG A 249 105.132 100.025 60.931 1.00 33.50 A N -ATOM 1290 CA ARG A 249 105.182 99.853 59.488 1.00 35.38 A C -ATOM 1291 C ARG A 249 104.912 98.366 59.245 1.00 35.20 A C -ATOM 1292 O ARG A 249 105.352 97.561 60.086 1.00 35.69 A O -ATOM 1293 CB ARG A 249 106.573 100.283 59.001 1.00 38.50 A C -ATOM 1294 CG ARG A 249 106.743 100.087 57.481 1.00 42.63 A C -ATOM 1295 CD ARG A 249 107.504 101.182 56.706 1.00 46.33 A C -ATOM 1296 NE ARG A 249 108.929 101.237 56.998 1.00 49.77 A N -ATOM 1297 CZ ARG A 249 109.450 102.107 57.886 1.00 52.17 A C -ATOM 1298 NH1 ARG A 249 108.686 103.000 58.570 1.00 52.87 A N1+ -ATOM 1299 NH2 ARG A 249 110.778 102.082 58.093 1.00 52.90 A N -ATOM 1300 N ALA A 250 104.202 97.939 58.186 1.00 32.59 A N -ATOM 1301 CA ALA A 250 103.927 96.530 57.958 1.00 30.25 A C -ATOM 1302 C ALA A 250 104.030 96.243 56.481 1.00 29.43 A C -ATOM 1303 O ALA A 250 104.056 97.158 55.665 1.00 29.95 A O -ATOM 1304 CB ALA A 250 102.519 96.161 58.394 1.00 30.51 A C -ATOM 1305 N ASP A 251 104.041 95.000 56.056 1.00 28.09 A N -ATOM 1306 CA ASP A 251 104.164 94.679 54.649 1.00 26.88 A C -ATOM 1307 C ASP A 251 102.836 94.173 54.136 1.00 25.52 A C -ATOM 1308 O ASP A 251 102.362 93.146 54.623 1.00 24.94 A O -ATOM 1309 CB ASP A 251 105.210 93.622 54.515 1.00 29.19 A C -ATOM 1310 CG ASP A 251 105.695 93.300 53.117 1.00 30.44 A C -ATOM 1311 OD1 ASP A 251 104.952 93.419 52.131 1.00 31.27 A O -ATOM 1312 OD2 ASP A 251 106.862 92.902 53.038 1.00 32.73 A O1- -ATOM 1313 N THR A 252 102.328 94.842 53.093 1.00 22.09 A N -ATOM 1314 CA THR A 252 101.070 94.577 52.451 1.00 19.13 A C -ATOM 1315 C THR A 252 101.243 94.156 51.022 1.00 19.75 A C -ATOM 1316 O THR A 252 101.927 94.880 50.313 1.00 19.16 A O -ATOM 1317 CB THR A 252 100.212 95.877 52.530 1.00 18.82 A C -ATOM 1318 OG1 THR A 252 99.847 96.093 53.913 1.00 17.94 A O -ATOM 1319 CG2 THR A 252 99.005 95.813 51.594 1.00 17.53 A C -ATOM 1320 N ARG A 253 100.625 93.075 50.540 1.00 20.65 A N -ATOM 1321 CA ARG A 253 100.737 92.638 49.157 1.00 20.42 A C -ATOM 1322 C ARG A 253 99.287 92.339 48.802 1.00 20.62 A C -ATOM 1323 O ARG A 253 98.479 91.974 49.681 1.00 18.85 A O -ATOM 1324 CB ARG A 253 101.524 91.357 49.000 1.00 22.45 A C -ATOM 1325 CG ARG A 253 102.734 91.122 49.918 1.00 23.78 A C -ATOM 1326 CD ARG A 253 104.037 91.639 49.388 1.00 26.35 A C -ATOM 1327 NE ARG A 253 104.943 90.512 49.220 1.00 28.90 A N -ATOM 1328 CZ ARG A 253 105.897 90.138 50.099 1.00 29.79 A C -ATOM 1329 NH1 ARG A 253 106.145 90.785 51.239 1.00 28.19 A N1+ -ATOM 1330 NH2 ARG A 253 106.629 89.059 49.789 1.00 29.61 A N -ATOM 1331 N ILE A 254 98.975 92.558 47.522 1.00 19.26 A N -ATOM 1332 CA ILE A 254 97.676 92.349 46.939 1.00 19.90 A C -ATOM 1333 C ILE A 254 97.950 91.128 46.063 1.00 19.91 A C -ATOM 1334 O ILE A 254 98.882 91.184 45.267 1.00 20.22 A O -ATOM 1335 CB ILE A 254 97.271 93.613 46.098 1.00 20.20 A C -ATOM 1336 CG1 ILE A 254 96.743 94.700 47.001 1.00 19.25 A C -ATOM 1337 CG2 ILE A 254 96.242 93.248 45.027 1.00 20.42 A C -ATOM 1338 CD1 ILE A 254 97.875 95.498 47.618 1.00 21.32 A C -ATOM 1339 N LEU A 255 97.221 90.019 46.167 1.00 20.46 A N -ATOM 1340 CA LEU A 255 97.470 88.838 45.368 1.00 21.41 A C -ATOM 1341 C LEU A 255 96.409 88.694 44.327 1.00 21.60 A C -ATOM 1342 O LEU A 255 95.256 88.966 44.649 1.00 23.35 A O -ATOM 1343 CB LEU A 255 97.389 87.587 46.147 1.00 21.20 A C -ATOM 1344 CG LEU A 255 98.103 87.381 47.441 1.00 21.46 A C -ATOM 1345 CD1 LEU A 255 98.508 85.925 47.367 1.00 22.54 A C -ATOM 1346 CD2 LEU A 255 99.359 88.207 47.663 1.00 21.84 A C -ATOM 1347 N PHE A 256 96.762 88.257 43.136 1.00 22.62 A N -ATOM 1348 CA PHE A 256 95.812 88.054 42.051 1.00 24.46 A C -ATOM 1349 C PHE A 256 95.783 86.540 41.885 1.00 25.11 A C -ATOM 1350 O PHE A 256 96.844 85.910 41.735 1.00 24.19 A O -ATOM 1351 CB PHE A 256 96.292 88.681 40.755 1.00 25.40 A C -ATOM 1352 CG PHE A 256 96.224 90.190 40.837 1.00 27.34 A C -ATOM 1353 CD1 PHE A 256 97.220 90.882 41.500 1.00 27.09 A C -ATOM 1354 CD2 PHE A 256 95.153 90.850 40.251 1.00 27.96 A C -ATOM 1355 CE1 PHE A 256 97.161 92.248 41.567 1.00 27.36 A C -ATOM 1356 CE2 PHE A 256 95.107 92.229 40.326 1.00 28.96 A C -ATOM 1357 CZ PHE A 256 96.109 92.920 40.990 1.00 28.71 A C -ATOM 1358 N ILE A 257 94.616 85.892 41.907 1.00 24.23 A N -ATOM 1359 CA ILE A 257 94.623 84.454 41.791 1.00 24.15 A C -ATOM 1360 C ILE A 257 93.590 83.923 40.823 1.00 24.87 A C -ATOM 1361 O ILE A 257 92.431 84.328 40.832 1.00 26.62 A O -ATOM 1362 CB ILE A 257 94.539 83.836 43.290 1.00 22.86 A C -ATOM 1363 CG1 ILE A 257 93.415 82.885 43.347 1.00 22.35 A C -ATOM 1364 CG2 ILE A 257 94.434 84.886 44.430 1.00 21.01 A C -ATOM 1365 CD1 ILE A 257 93.539 82.208 44.720 1.00 23.79 A C -ATOM 1366 N GLU A 258 94.022 83.040 39.948 1.00 25.56 A N -ATOM 1367 CA GLU A 258 93.139 82.463 38.970 1.00 27.44 A C -ATOM 1368 C GLU A 258 92.919 81.023 39.355 1.00 27.51 A C -ATOM 1369 O GLU A 258 93.890 80.312 39.612 1.00 29.14 A O -ATOM 1370 CB GLU A 258 93.765 82.545 37.630 1.00 28.99 A C -ATOM 1371 CG GLU A 258 93.892 84.019 37.345 1.00 31.91 A C -ATOM 1372 CD GLU A 258 94.560 84.412 36.041 1.00 34.54 A C -ATOM 1373 OE1 GLU A 258 94.760 83.570 35.143 1.00 35.42 A O -ATOM 1374 OE2 GLU A 258 94.876 85.604 35.950 1.00 36.00 A O1- -ATOM 1375 N GLU A 259 91.659 80.595 39.483 1.00 26.36 A N -ATOM 1376 CA GLU A 259 91.279 79.256 39.864 1.00 24.73 A C -ATOM 1377 C GLU A 259 92.014 78.740 41.097 1.00 23.00 A C -ATOM 1378 O GLU A 259 92.422 77.588 41.121 1.00 24.03 A O -ATOM 1379 CB GLU A 259 91.495 78.302 38.684 1.00 26.16 A C -ATOM 1380 CG GLU A 259 90.369 78.433 37.686 1.00 29.47 A C -ATOM 1381 CD GLU A 259 90.556 77.664 36.380 1.00 31.40 A C -ATOM 1382 OE1 GLU A 259 91.596 77.806 35.720 1.00 33.21 A O -ATOM 1383 OE2 GLU A 259 89.658 76.908 36.006 1.00 32.87 A O1- -ATOM 1384 N GLY A 260 92.205 79.511 42.169 1.00 21.05 A N -ATOM 1385 CA GLY A 260 92.904 79.030 43.347 1.00 17.61 A C -ATOM 1386 C GLY A 260 94.441 79.189 43.301 1.00 17.77 A C -ATOM 1387 O GLY A 260 95.094 79.243 44.344 1.00 14.73 A O -ATOM 1388 N LYS A 261 95.038 79.378 42.132 1.00 16.75 A N -ATOM 1389 CA LYS A 261 96.473 79.499 41.930 1.00 18.69 A C -ATOM 1390 C LYS A 261 96.909 80.956 41.909 1.00 18.55 A C -ATOM 1391 O LYS A 261 96.387 81.769 41.120 1.00 17.04 A O -ATOM 1392 CB LYS A 261 96.797 78.805 40.597 1.00 21.22 A C -ATOM 1393 CG LYS A 261 98.191 78.875 39.990 1.00 25.73 A C -ATOM 1394 CD LYS A 261 99.241 78.218 40.884 1.00 29.77 A C -ATOM 1395 CE LYS A 261 99.007 76.723 41.240 1.00 32.07 A C -ATOM 1396 NZ LYS A 261 99.849 76.296 42.368 1.00 33.36 A N1+ -ATOM 1397 N ILE A 262 97.838 81.333 42.789 1.00 17.02 A N -ATOM 1398 CA ILE A 262 98.331 82.679 42.815 1.00 16.89 A C -ATOM 1399 C ILE A 262 99.011 83.006 41.483 1.00 18.78 A C -ATOM 1400 O ILE A 262 99.999 82.358 41.131 1.00 19.95 A O -ATOM 1401 CB ILE A 262 99.297 82.811 43.933 1.00 15.64 A C -ATOM 1402 CG1 ILE A 262 98.590 82.574 45.227 1.00 14.91 A C -ATOM 1403 CG2 ILE A 262 99.943 84.192 43.841 1.00 15.35 A C -ATOM 1404 CD1 ILE A 262 99.508 82.521 46.467 1.00 13.90 A C -ATOM 1405 N VAL A 263 98.501 83.967 40.712 1.00 18.22 A N -ATOM 1406 CA VAL A 263 99.137 84.281 39.456 1.00 18.73 A C -ATOM 1407 C VAL A 263 99.978 85.545 39.499 1.00 19.13 A C -ATOM 1408 O VAL A 263 100.612 85.819 38.485 1.00 20.36 A O -ATOM 1409 CB VAL A 263 98.094 84.409 38.328 1.00 18.60 A C -ATOM 1410 CG1 VAL A 263 97.486 83.035 38.121 1.00 19.07 A C -ATOM 1411 CG2 VAL A 263 97.026 85.450 38.664 1.00 19.05 A C -ATOM 1412 N HIS A 264 100.035 86.374 40.551 1.00 18.29 A N -ATOM 1413 CA HIS A 264 100.870 87.559 40.572 1.00 17.07 A C -ATOM 1414 C HIS A 264 100.760 88.102 41.966 1.00 16.79 A C -ATOM 1415 O HIS A 264 99.783 87.806 42.632 1.00 16.10 A O -ATOM 1416 CB HIS A 264 100.382 88.655 39.631 1.00 19.71 A C -ATOM 1417 CG HIS A 264 101.353 89.834 39.491 1.00 21.47 A C -ATOM 1418 ND1 HIS A 264 101.663 90.839 40.335 1.00 22.10 A N -ATOM 1419 CD2 HIS A 264 102.150 90.001 38.367 1.00 21.65 A C -ATOM 1420 CE1 HIS A 264 102.592 91.576 39.783 1.00 21.98 A C -ATOM 1421 NE2 HIS A 264 102.874 91.065 38.603 1.00 21.98 A N -ATOM 1422 N ILE A 265 101.718 88.847 42.490 1.00 16.22 A N -ATOM 1423 CA ILE A 265 101.613 89.429 43.825 1.00 16.79 A C -ATOM 1424 C ILE A 265 102.113 90.842 43.603 1.00 18.41 A C -ATOM 1425 O ILE A 265 103.074 91.007 42.830 1.00 20.46 A O -ATOM 1426 CB ILE A 265 102.493 88.684 44.787 1.00 16.20 A C -ATOM 1427 CG1 ILE A 265 102.024 87.233 44.975 1.00 16.78 A C -ATOM 1428 CG2 ILE A 265 102.511 89.497 46.038 1.00 16.73 A C -ATOM 1429 CD1 ILE A 265 102.537 86.590 46.286 1.00 18.23 A C -ATOM 1430 N SER A 266 101.427 91.876 44.078 1.00 18.76 A N -ATOM 1431 CA SER A 266 101.876 93.254 43.899 1.00 17.51 A C -ATOM 1432 C SER A 266 102.008 93.851 45.274 1.00 17.42 A C -ATOM 1433 O SER A 266 101.154 93.643 46.142 1.00 18.45 A O -ATOM 1434 CB SER A 266 100.868 94.026 43.098 1.00 17.54 A C -ATOM 1435 OG SER A 266 100.845 93.494 41.782 1.00 17.48 A O -ATOM 1436 N PRO A 267 103.106 94.503 45.595 1.00 17.01 A N -ATOM 1437 CA PRO A 267 103.224 95.237 46.828 1.00 16.11 A C -ATOM 1438 C PRO A 267 102.422 96.520 46.752 1.00 16.58 A C -ATOM 1439 O PRO A 267 102.150 97.080 45.661 1.00 16.92 A O -ATOM 1440 CB PRO A 267 104.688 95.418 46.942 1.00 16.30 A C -ATOM 1441 CG PRO A 267 105.047 95.664 45.507 1.00 16.26 A C -ATOM 1442 CD PRO A 267 104.345 94.514 44.844 1.00 16.94 A C -ATOM 1443 N LEU A 268 102.029 96.937 47.950 1.00 15.19 A N -ATOM 1444 CA LEU A 268 101.278 98.162 48.103 1.00 16.85 A C -ATOM 1445 C LEU A 268 102.125 99.340 47.604 1.00 19.73 A C -ATOM 1446 O LEU A 268 103.359 99.414 47.774 1.00 21.06 A O -ATOM 1447 CB LEU A 268 100.937 98.388 49.565 1.00 15.07 A C -ATOM 1448 CG LEU A 268 100.144 99.593 49.890 1.00 13.63 A C -ATOM 1449 CD1 LEU A 268 98.842 99.594 49.143 1.00 13.32 A C -ATOM 1450 CD2 LEU A 268 99.931 99.600 51.364 1.00 13.51 A C -ATOM 1451 N ALA A 269 101.424 100.304 47.032 1.00 21.38 A N -ATOM 1452 CA ALA A 269 102.055 101.484 46.486 1.00 21.20 A C -ATOM 1453 C ALA A 269 101.172 102.668 46.868 1.00 22.46 A C -ATOM 1454 O ALA A 269 100.068 102.460 47.405 1.00 22.41 A O -ATOM 1455 CB ALA A 269 102.106 101.332 44.987 1.00 19.84 A C -ATOM 1456 N GLY A 270 101.601 103.909 46.579 1.00 22.40 A N -ATOM 1457 CA GLY A 270 100.820 105.105 46.883 1.00 21.12 A C -ATOM 1458 C GLY A 270 101.015 105.597 48.309 1.00 19.98 A C -ATOM 1459 O GLY A 270 102.001 105.221 48.932 1.00 21.39 A O -ATOM 1460 N SER A 271 100.090 106.364 48.874 1.00 20.10 A N -ATOM 1461 CA SER A 271 100.275 106.889 50.196 1.00 19.85 A C -ATOM 1462 C SER A 271 99.747 106.266 51.467 1.00 21.40 A C -ATOM 1463 O SER A 271 100.038 106.836 52.538 1.00 22.31 A O -ATOM 1464 CB SER A 271 99.835 108.362 50.116 1.00 20.43 A C -ATOM 1465 OG SER A 271 98.569 108.694 49.522 1.00 19.55 A O -ATOM 1466 N ALA A 272 99.066 105.104 51.474 1.00 22.31 A N -ATOM 1467 CA ALA A 272 98.545 104.542 52.717 1.00 22.68 A C -ATOM 1468 C ALA A 272 99.700 104.107 53.606 1.00 22.99 A C -ATOM 1469 O ALA A 272 100.691 103.586 53.117 1.00 21.33 A O -ATOM 1470 CB ALA A 272 97.640 103.377 52.385 1.00 22.04 A C -ATOM 1471 N GLN A 273 99.615 104.292 54.913 1.00 24.43 A N -ATOM 1472 CA GLN A 273 100.729 103.951 55.786 1.00 26.37 A C -ATOM 1473 C GLN A 273 100.608 102.640 56.483 1.00 27.25 A C -ATOM 1474 O GLN A 273 101.605 102.121 56.996 1.00 28.55 A O -ATOM 1475 CB GLN A 273 100.947 104.940 56.919 1.00 27.20 A C -ATOM 1476 CG GLN A 273 101.232 106.309 56.383 1.00 30.02 A C -ATOM 1477 CD GLN A 273 102.694 106.666 56.252 1.00 31.44 A C -ATOM 1478 OE1 GLN A 273 103.375 107.033 57.213 1.00 31.51 A O -ATOM 1479 NE2 GLN A 273 103.177 106.540 55.019 1.00 32.54 A N -ATOM 1480 N HIS A 274 99.375 102.177 56.639 1.00 26.49 A N -ATOM 1481 CA HIS A 274 99.106 100.915 57.299 1.00 25.01 A C -ATOM 1482 C HIS A 274 97.807 100.462 56.680 1.00 24.43 A C -ATOM 1483 O HIS A 274 96.942 101.299 56.438 1.00 25.76 A O -ATOM 1484 CB HIS A 274 98.897 101.107 58.736 1.00 24.78 A C -ATOM 1485 CG HIS A 274 99.137 99.829 59.498 1.00 25.33 A C -ATOM 1486 ND1 HIS A 274 100.254 99.125 59.571 1.00 25.80 A N -ATOM 1487 CD2 HIS A 274 98.227 99.245 60.333 1.00 24.83 A C -ATOM 1488 CE1 HIS A 274 100.064 98.155 60.426 1.00 25.85 A C -ATOM 1489 NE2 HIS A 274 98.842 98.241 60.877 1.00 25.79 A N -ATOM 1490 N VAL A 275 97.661 99.201 56.325 1.00 22.04 A N -ATOM 1491 CA VAL A 275 96.460 98.681 55.728 1.00 18.48 A C -ATOM 1492 C VAL A 275 96.106 97.354 56.389 1.00 18.43 A C -ATOM 1493 O VAL A 275 96.902 96.437 56.483 1.00 18.35 A O -ATOM 1494 CB VAL A 275 96.740 98.508 54.267 1.00 17.24 A C -ATOM 1495 CG1 VAL A 275 95.627 97.746 53.595 1.00 14.61 A C -ATOM 1496 CG2 VAL A 275 96.909 99.886 53.659 1.00 16.00 A C -ATOM 1497 N GLU A 276 94.972 97.230 57.029 1.00 18.36 A N -ATOM 1498 CA GLU A 276 94.557 95.969 57.616 1.00 16.37 A C -ATOM 1499 C GLU A 276 93.104 95.834 57.156 1.00 16.48 A C -ATOM 1500 O GLU A 276 92.557 96.752 56.512 1.00 17.74 A O -ATOM 1501 CB GLU A 276 94.613 96.041 59.104 1.00 15.91 A C -ATOM 1502 CG GLU A 276 96.024 96.005 59.577 1.00 15.12 A C -ATOM 1503 CD GLU A 276 96.142 95.652 61.058 1.00 16.62 A C -ATOM 1504 OE1 GLU A 276 95.284 96.033 61.850 1.00 17.02 A O -ATOM 1505 OE2 GLU A 276 97.103 94.986 61.438 1.00 16.74 A O1- -ATOM 1506 N GLU A 277 92.505 94.662 57.321 1.00 13.36 A N -ATOM 1507 CA GLU A 277 91.108 94.387 56.999 1.00 10.99 A C -ATOM 1508 C GLU A 277 90.396 95.072 55.837 1.00 11.51 A C -ATOM 1509 O GLU A 277 89.341 95.693 56.008 1.00 10.69 A O -ATOM 1510 CB GLU A 277 90.355 94.615 58.310 1.00 7.81 A C -ATOM 1511 CG GLU A 277 90.799 93.499 59.204 1.00 6.31 A C -ATOM 1512 CD GLU A 277 90.497 93.679 60.683 1.00 8.38 A C -ATOM 1513 OE1 GLU A 277 90.188 94.767 61.135 1.00 7.68 A O -ATOM 1514 OE2 GLU A 277 90.576 92.690 61.400 1.00 10.01 A O1- -ATOM 1515 N CYS A 278 90.920 95.042 54.620 1.00 11.77 A N -ATOM 1516 CA CYS A 278 90.177 95.716 53.584 1.00 13.07 A C -ATOM 1517 C CYS A 278 88.757 95.247 53.283 1.00 14.21 A C -ATOM 1518 O CYS A 278 88.499 94.047 53.309 1.00 16.63 A O -ATOM 1519 CB CYS A 278 90.935 95.654 52.287 1.00 13.37 A C -ATOM 1520 SG CYS A 278 92.399 96.696 52.492 1.00 15.49 A S -ATOM 1521 N SER A 279 87.829 96.185 53.033 1.00 15.71 A N -ATOM 1522 CA SER A 279 86.433 95.975 52.659 1.00 13.97 A C -ATOM 1523 C SER A 279 86.526 96.373 51.202 1.00 15.10 A C -ATOM 1524 O SER A 279 86.592 97.554 50.879 1.00 17.24 A O -ATOM 1525 CB SER A 279 85.560 96.918 53.474 1.00 14.11 A C -ATOM 1526 OG SER A 279 85.579 96.388 54.810 1.00 13.14 A O -ATOM 1527 N CYS A 280 86.573 95.436 50.277 1.00 14.67 A N -ATOM 1528 CA CYS A 280 86.733 95.722 48.865 1.00 14.55 A C -ATOM 1529 C CYS A 280 85.499 95.530 48.021 1.00 14.70 A C -ATOM 1530 O CYS A 280 84.616 94.734 48.402 1.00 14.75 A O -ATOM 1531 CB CYS A 280 87.841 94.854 48.303 1.00 15.64 A C -ATOM 1532 SG CYS A 280 89.457 95.011 49.102 1.00 18.00 A S -ATOM 1533 N TYR A 281 85.389 96.195 46.856 1.00 12.11 A N -ATOM 1534 CA TYR A 281 84.177 96.024 46.091 1.00 13.38 A C -ATOM 1535 C TYR A 281 84.449 96.195 44.611 1.00 14.49 A C -ATOM 1536 O TYR A 281 85.391 96.918 44.314 1.00 14.48 A O -ATOM 1537 CB TYR A 281 83.114 97.058 46.609 1.00 11.40 A C -ATOM 1538 CG TYR A 281 83.488 98.547 46.639 1.00 10.51 A C -ATOM 1539 CD1 TYR A 281 83.342 99.286 45.484 1.00 9.61 A C -ATOM 1540 CD2 TYR A 281 83.935 99.175 47.802 1.00 10.54 A C -ATOM 1541 CE1 TYR A 281 83.629 100.634 45.468 1.00 9.83 A C -ATOM 1542 CE2 TYR A 281 84.226 100.530 47.787 1.00 10.50 A C -ATOM 1543 CZ TYR A 281 84.068 101.250 46.609 1.00 11.06 A C -ATOM 1544 OH TYR A 281 84.360 102.619 46.534 1.00 12.54 A O -ATOM 1545 N PRO A 282 83.772 95.538 43.673 1.00 17.10 A N -ATOM 1546 CA PRO A 282 83.953 95.721 42.243 1.00 19.06 A C -ATOM 1547 C PRO A 282 83.608 97.108 41.769 1.00 21.90 A C -ATOM 1548 O PRO A 282 82.479 97.583 41.970 1.00 24.27 A O -ATOM 1549 CB PRO A 282 83.071 94.691 41.583 1.00 18.49 A C -ATOM 1550 CG PRO A 282 81.985 94.431 42.602 1.00 17.75 A C -ATOM 1551 CD PRO A 282 82.733 94.543 43.926 1.00 18.02 A C -ATOM 1552 N ARG A 283 84.543 97.729 41.070 1.00 23.06 A N -ATOM 1553 CA ARG A 283 84.302 99.051 40.564 1.00 23.23 A C -ATOM 1554 C ARG A 283 84.893 98.982 39.179 1.00 22.32 A C -ATOM 1555 O ARG A 283 85.898 99.611 38.891 1.00 21.93 A O -ATOM 1556 CB ARG A 283 85.025 100.020 41.472 1.00 25.37 A C -ATOM 1557 CG ARG A 283 84.280 101.323 41.413 1.00 28.30 A C -ATOM 1558 CD ARG A 283 85.106 102.336 42.136 1.00 30.73 A C -ATOM 1559 NE ARG A 283 85.879 102.979 41.104 1.00 33.86 A N -ATOM 1560 CZ ARG A 283 85.457 104.108 40.526 1.00 34.94 A C -ATOM 1561 NH1 ARG A 283 84.374 104.766 40.967 1.00 35.07 A N1+ -ATOM 1562 NH2 ARG A 283 86.209 104.628 39.559 1.00 35.77 A N -ATOM 1563 N TYR A 284 84.330 98.169 38.307 1.00 22.94 A N -ATOM 1564 CA TYR A 284 84.803 97.941 36.954 1.00 22.94 A C -ATOM 1565 C TYR A 284 85.542 99.049 36.231 1.00 22.72 A C -ATOM 1566 O TYR A 284 84.970 100.123 36.079 1.00 24.79 A O -ATOM 1567 CB TYR A 284 83.624 97.508 36.119 1.00 23.79 A C -ATOM 1568 CG TYR A 284 84.072 96.825 34.843 1.00 25.04 A C -ATOM 1569 CD1 TYR A 284 84.610 95.554 34.878 1.00 25.79 A C -ATOM 1570 CD2 TYR A 284 83.970 97.495 33.656 1.00 25.54 A C -ATOM 1571 CE1 TYR A 284 85.061 94.940 33.731 1.00 26.26 A C -ATOM 1572 CE2 TYR A 284 84.412 96.888 32.505 1.00 26.69 A C -ATOM 1573 CZ TYR A 284 84.952 95.625 32.553 1.00 26.85 A C -ATOM 1574 OH TYR A 284 85.393 95.076 31.380 1.00 28.11 A O -ATOM 1575 N PRO A 285 86.756 98.859 35.695 1.00 21.57 A N -ATOM 1576 CA PRO A 285 87.455 97.593 35.654 1.00 20.89 A C -ATOM 1577 C PRO A 285 88.349 97.375 36.842 1.00 19.94 A C -ATOM 1578 O PRO A 285 89.258 96.556 36.757 1.00 21.19 A O -ATOM 1579 CB PRO A 285 88.206 97.619 34.367 1.00 20.29 A C -ATOM 1580 CG PRO A 285 88.676 99.035 34.415 1.00 20.71 A C -ATOM 1581 CD PRO A 285 87.434 99.805 34.838 1.00 20.83 A C -ATOM 1582 N GLY A 286 88.137 98.070 37.936 1.00 19.08 A N -ATOM 1583 CA GLY A 286 89.007 97.876 39.067 1.00 17.50 A C -ATOM 1584 C GLY A 286 88.234 97.295 40.210 1.00 17.07 A C -ATOM 1585 O GLY A 286 87.099 96.833 40.059 1.00 17.30 A O -ATOM 1586 N VAL A 287 88.878 97.383 41.357 1.00 13.43 A N -ATOM 1587 CA VAL A 287 88.347 96.894 42.609 1.00 12.37 A C -ATOM 1588 C VAL A 287 88.758 98.028 43.541 1.00 11.81 A C -ATOM 1589 O VAL A 287 89.866 98.541 43.331 1.00 12.05 A O -ATOM 1590 CB VAL A 287 89.055 95.549 42.971 1.00 11.45 A C -ATOM 1591 CG1 VAL A 287 88.663 95.066 44.376 1.00 10.54 A C -ATOM 1592 CG2 VAL A 287 88.692 94.505 41.942 1.00 9.91 A C -ATOM 1593 N ARG A 288 87.987 98.485 44.532 1.00 11.21 A N -ATOM 1594 CA ARG A 288 88.471 99.532 45.369 1.00 11.13 A C -ATOM 1595 C ARG A 288 88.284 98.996 46.789 1.00 11.63 A C -ATOM 1596 O ARG A 288 87.300 98.278 47.045 1.00 12.41 A O -ATOM 1597 CB ARG A 288 87.657 100.780 45.009 1.00 14.65 A C -ATOM 1598 CG ARG A 288 87.686 101.854 46.091 1.00 16.58 A C -ATOM 1599 CD ARG A 288 88.229 103.176 45.596 1.00 19.68 A C -ATOM 1600 NE ARG A 288 87.275 103.937 44.834 1.00 21.93 A N -ATOM 1601 CZ ARG A 288 87.565 104.613 43.704 1.00 23.70 A C -ATOM 1602 NH1 ARG A 288 88.740 104.595 43.079 1.00 23.68 A N1+ -ATOM 1603 NH2 ARG A 288 86.587 105.303 43.118 1.00 24.39 A N -ATOM 1604 N CYS A 289 89.178 99.308 47.729 1.00 11.37 A N -ATOM 1605 CA CYS A 289 89.074 98.813 49.082 1.00 12.29 A C -ATOM 1606 C CYS A 289 89.179 99.912 50.109 1.00 12.56 A C -ATOM 1607 O CYS A 289 89.967 100.836 49.891 1.00 14.21 A O -ATOM 1608 CB CYS A 289 90.191 97.802 49.359 1.00 15.34 A C -ATOM 1609 SG CYS A 289 90.384 96.498 48.097 1.00 17.18 A S -ATOM 1610 N ILE A 290 88.408 99.917 51.208 1.00 8.87 A N -ATOM 1611 CA ILE A 290 88.514 100.967 52.220 1.00 7.78 A C -ATOM 1612 C ILE A 290 88.968 100.051 53.348 1.00 9.42 A C -ATOM 1613 O ILE A 290 88.333 99.005 53.587 1.00 9.29 A O -ATOM 1614 CB ILE A 290 87.136 101.649 52.456 1.00 5.34 A C -ATOM 1615 CG1 ILE A 290 87.035 102.889 51.603 1.00 2.42 A C -ATOM 1616 CG2 ILE A 290 87.013 102.168 53.911 1.00 2.00 A C -ATOM 1617 CD1 ILE A 290 87.011 102.635 50.042 1.00 4.63 A C -ATOM 1618 N CYS A 291 90.102 100.365 53.983 1.00 9.64 A N -ATOM 1619 CA CYS A 291 90.650 99.445 54.973 1.00 9.89 A C -ATOM 1620 C CYS A 291 90.777 100.007 56.350 1.00 10.13 A C -ATOM 1621 O CYS A 291 90.098 100.989 56.629 1.00 7.17 A O -ATOM 1622 CB CYS A 291 91.986 98.984 54.453 1.00 10.09 A C -ATOM 1623 SG CYS A 291 91.862 98.626 52.667 1.00 14.21 A S -ATOM 1624 N ARG A 292 91.576 99.405 57.226 1.00 10.49 A N -ATOM 1625 CA ARG A 292 91.740 99.893 58.574 1.00 12.37 A C -ATOM 1626 C ARG A 292 93.185 100.354 58.728 1.00 15.72 A C -ATOM 1627 O ARG A 292 94.089 99.624 58.290 1.00 18.46 A O -ATOM 1628 CB ARG A 292 91.470 98.777 59.498 1.00 10.93 A C -ATOM 1629 CG ARG A 292 91.809 98.975 60.952 1.00 11.15 A C -ATOM 1630 CD ARG A 292 91.669 97.577 61.535 1.00 11.71 A C -ATOM 1631 NE ARG A 292 92.075 97.577 62.917 1.00 14.83 A N -ATOM 1632 CZ ARG A 292 91.617 96.717 63.819 1.00 16.20 A C -ATOM 1633 NH1 ARG A 292 90.677 95.821 63.570 1.00 17.01 A N1+ -ATOM 1634 NH2 ARG A 292 92.080 96.817 65.053 1.00 16.82 A N -ATOM 1635 N ASP A 293 93.472 101.562 59.226 1.00 16.94 A N -ATOM 1636 CA ASP A 293 94.833 102.023 59.471 1.00 16.84 A C -ATOM 1637 C ASP A 293 94.816 101.965 61.000 1.00 17.82 A C -ATOM 1638 O ASP A 293 94.123 102.679 61.791 1.00 16.60 A O -ATOM 1639 CB ASP A 293 95.068 103.438 59.053 1.00 16.35 A C -ATOM 1640 CG ASP A 293 96.465 104.020 59.322 1.00 18.27 A C -ATOM 1641 OD1 ASP A 293 97.071 103.817 60.389 1.00 18.50 A O -ATOM 1642 OD2 ASP A 293 96.939 104.761 58.457 1.00 18.61 A O1- -ATOM 1643 N ASN A 294 95.660 100.993 61.361 1.00 18.80 A N -ATOM 1644 CA ASN A 294 95.887 100.631 62.763 1.00 19.77 A C -ATOM 1645 C ASN A 294 97.032 101.289 63.515 1.00 20.60 A C -ATOM 1646 O ASN A 294 97.188 101.166 64.726 1.00 20.90 A O -ATOM 1647 CB ASN A 294 96.047 99.136 62.807 1.00 17.84 A C -ATOM 1648 CG ASN A 294 95.634 98.586 64.146 1.00 17.12 A C -ATOM 1649 OD1 ASN A 294 94.447 98.540 64.443 1.00 16.59 A O -ATOM 1650 ND2 ASN A 294 96.555 98.164 64.989 1.00 16.06 A N -ATOM 1651 N TRP A 295 97.774 102.105 62.774 1.00 22.82 A N -ATOM 1652 CA TRP A 295 98.940 102.790 63.317 1.00 23.70 A C -ATOM 1653 C TRP A 295 98.703 104.277 63.584 1.00 25.86 A C -ATOM 1654 O TRP A 295 98.591 104.706 64.732 1.00 25.76 A O -ATOM 1655 CB TRP A 295 100.076 102.544 62.297 1.00 21.70 A C -ATOM 1656 CG TRP A 295 101.467 103.096 62.573 1.00 21.39 A C -ATOM 1657 CD1 TRP A 295 101.937 103.356 63.839 1.00 21.77 A C -ATOM 1658 CD2 TRP A 295 102.417 103.355 61.621 1.00 21.24 A C -ATOM 1659 NE1 TRP A 295 103.176 103.771 63.673 1.00 21.32 A N -ATOM 1660 CE2 TRP A 295 103.481 103.777 62.381 1.00 20.89 A C -ATOM 1661 CE3 TRP A 295 102.519 103.293 60.254 1.00 20.91 A C -ATOM 1662 CZ2 TRP A 295 104.661 104.139 61.820 1.00 21.49 A C -ATOM 1663 CZ3 TRP A 295 103.698 103.658 59.672 1.00 20.88 A C -ATOM 1664 CH2 TRP A 295 104.755 104.075 60.448 1.00 21.88 A C -ATOM 1665 N LYS A 296 98.619 105.059 62.498 1.00 27.46 A N -ATOM 1666 CA LYS A 296 98.467 106.505 62.549 1.00 29.10 A C -ATOM 1667 C LYS A 296 97.173 107.145 62.091 1.00 29.96 A C -ATOM 1668 O LYS A 296 97.116 108.364 61.977 1.00 31.13 A O -ATOM 1669 CB LYS A 296 99.585 107.095 61.724 1.00 30.53 A C -ATOM 1670 CG LYS A 296 101.005 106.998 62.275 1.00 32.33 A C -ATOM 1671 CD LYS A 296 101.773 107.102 60.981 1.00 33.52 A C -ATOM 1672 CE LYS A 296 103.222 107.472 61.125 1.00 33.86 A C -ATOM 1673 NZ LYS A 296 103.692 107.666 59.766 1.00 34.60 A N1+ -ATOM 1674 N GLY A 297 96.095 106.432 61.838 1.00 30.14 A N -ATOM 1675 CA GLY A 297 94.906 107.106 61.342 1.00 29.96 A C -ATOM 1676 C GLY A 297 93.589 106.566 61.865 1.00 28.96 A C -ATOM 1677 O GLY A 297 93.405 105.414 62.344 1.00 28.90 A O -ATOM 1678 N SER A 298 92.814 107.641 61.913 1.00 28.36 A N -ATOM 1679 CA SER A 298 91.424 107.714 62.279 1.00 25.91 A C -ATOM 1680 C SER A 298 90.790 107.768 60.909 1.00 25.19 A C -ATOM 1681 O SER A 298 89.629 107.402 60.827 1.00 27.10 A O -ATOM 1682 CB SER A 298 91.092 108.984 62.925 1.00 27.05 A C -ATOM 1683 OG SER A 298 91.011 109.050 64.326 1.00 28.97 A O -ATOM 1684 N ASN A 299 91.374 108.329 59.845 1.00 23.69 A N -ATOM 1685 CA ASN A 299 90.725 108.288 58.546 1.00 21.91 A C -ATOM 1686 C ASN A 299 91.114 106.919 58.010 1.00 22.02 A C -ATOM 1687 O ASN A 299 92.104 106.321 58.458 1.00 23.99 A O -ATOM 1688 CB ASN A 299 91.191 109.407 57.580 1.00 22.52 A C -ATOM 1689 CG ASN A 299 92.661 109.811 57.511 1.00 23.54 A C -ATOM 1690 OD1 ASN A 299 93.398 109.677 58.498 1.00 22.57 A O -ATOM 1691 ND2 ASN A 299 93.118 110.318 56.364 1.00 20.69 A N -ATOM 1692 N ARG A 300 90.346 106.347 57.093 1.00 20.26 A N -ATOM 1693 CA ARG A 300 90.583 105.026 56.558 1.00 18.16 A C -ATOM 1694 C ARG A 300 91.323 105.086 55.235 1.00 15.98 A C -ATOM 1695 O ARG A 300 91.001 105.971 54.439 1.00 15.79 A O -ATOM 1696 CB ARG A 300 89.260 104.284 56.310 1.00 19.87 A C -ATOM 1697 CG ARG A 300 88.093 104.540 57.276 1.00 21.38 A C -ATOM 1698 CD ARG A 300 86.976 103.496 57.131 1.00 21.49 A C -ATOM 1699 NE ARG A 300 87.535 102.296 57.681 1.00 23.20 A N -ATOM 1700 CZ ARG A 300 87.317 101.895 58.925 1.00 22.79 A C -ATOM 1701 NH1 ARG A 300 86.470 102.474 59.715 1.00 22.00 A N1+ -ATOM 1702 NH2 ARG A 300 87.912 100.811 59.357 1.00 22.50 A N -ATOM 1703 N PRO A 301 92.275 104.181 54.960 1.00 14.25 A N -ATOM 1704 CA PRO A 301 93.002 104.031 53.711 1.00 12.35 A C -ATOM 1705 C PRO A 301 92.146 103.642 52.562 1.00 13.05 A C -ATOM 1706 O PRO A 301 91.173 102.955 52.786 1.00 15.03 A O -ATOM 1707 CB PRO A 301 94.014 102.970 53.946 1.00 12.94 A C -ATOM 1708 CG PRO A 301 94.228 102.944 55.444 1.00 12.54 A C -ATOM 1709 CD PRO A 301 92.869 103.292 55.962 1.00 13.50 A C -ATOM 1710 N VAL A 302 92.538 103.890 51.336 1.00 12.92 A N -ATOM 1711 CA VAL A 302 91.783 103.528 50.170 1.00 12.37 A C -ATOM 1712 C VAL A 302 92.826 102.744 49.400 1.00 15.60 A C -ATOM 1713 O VAL A 302 93.951 103.264 49.291 1.00 16.22 A O -ATOM 1714 CB VAL A 302 91.440 104.758 49.388 1.00 13.78 A C -ATOM 1715 CG1 VAL A 302 90.821 104.407 48.037 1.00 11.87 A C -ATOM 1716 CG2 VAL A 302 90.560 105.599 50.276 1.00 13.75 A C -ATOM 1717 N VAL A 303 92.600 101.537 48.876 1.00 16.17 A N -ATOM 1718 CA VAL A 303 93.598 100.842 48.096 1.00 16.96 A C -ATOM 1719 C VAL A 303 92.934 100.677 46.737 1.00 17.34 A C -ATOM 1720 O VAL A 303 91.788 100.247 46.748 1.00 17.87 A O -ATOM 1721 CB VAL A 303 93.909 99.477 48.712 1.00 18.19 A C -ATOM 1722 CG1 VAL A 303 94.821 98.802 47.695 1.00 18.48 A C -ATOM 1723 CG2 VAL A 303 94.595 99.533 50.102 1.00 16.34 A C -ATOM 1724 N ASP A 304 93.555 100.974 45.599 1.00 18.61 A N -ATOM 1725 CA ASP A 304 92.978 100.851 44.274 1.00 20.34 A C -ATOM 1726 C ASP A 304 93.833 99.868 43.534 1.00 21.33 A C -ATOM 1727 O ASP A 304 95.044 100.097 43.421 1.00 21.44 A O -ATOM 1728 CB ASP A 304 93.008 102.163 43.500 1.00 23.06 A C -ATOM 1729 CG ASP A 304 91.755 102.999 43.772 1.00 25.76 A C -ATOM 1730 OD1 ASP A 304 90.661 102.437 43.864 1.00 26.11 A O -ATOM 1731 OD2 ASP A 304 91.865 104.220 43.909 1.00 27.96 A O1- -ATOM 1732 N ILE A 305 93.195 98.812 43.020 1.00 21.22 A N -ATOM 1733 CA ILE A 305 93.837 97.700 42.318 1.00 20.71 A C -ATOM 1734 C ILE A 305 93.525 97.755 40.825 1.00 21.47 A C -ATOM 1735 O ILE A 305 92.353 97.759 40.463 1.00 21.82 A O -ATOM 1736 CB ILE A 305 93.294 96.437 43.036 1.00 18.99 A C -ATOM 1737 CG1 ILE A 305 93.912 96.397 44.407 1.00 18.48 A C -ATOM 1738 CG2 ILE A 305 93.586 95.161 42.287 1.00 19.25 A C -ATOM 1739 CD1 ILE A 305 93.031 95.715 45.478 1.00 19.43 A C -ATOM 1740 N ASN A 306 94.478 97.779 39.903 1.00 23.02 A N -ATOM 1741 CA ASN A 306 94.179 97.838 38.470 1.00 24.44 A C -ATOM 1742 C ASN A 306 94.216 96.382 38.075 1.00 26.09 A C -ATOM 1743 O ASN A 306 95.279 95.753 38.026 1.00 25.76 A O -ATOM 1744 CB ASN A 306 95.256 98.633 37.689 1.00 25.24 A C -ATOM 1745 CG ASN A 306 95.057 98.652 36.162 1.00 27.41 A C -ATOM 1746 OD1 ASN A 306 94.945 97.601 35.537 1.00 29.13 A O -ATOM 1747 ND2 ASN A 306 95.014 99.734 35.379 1.00 27.44 A N -ATOM 1748 N MET A 307 93.076 95.812 37.731 1.00 28.07 A N -ATOM 1749 CA MET A 307 93.059 94.416 37.383 1.00 29.77 A C -ATOM 1750 C MET A 307 93.819 94.105 36.126 1.00 32.17 A C -ATOM 1751 O MET A 307 94.250 92.964 35.993 1.00 33.70 A O -ATOM 1752 CB MET A 307 91.632 93.921 37.239 1.00 29.09 A C -ATOM 1753 CG MET A 307 90.862 93.927 38.546 1.00 28.21 A C -ATOM 1754 SD MET A 307 91.602 92.938 39.864 1.00 28.86 A S -ATOM 1755 CE MET A 307 91.158 91.352 39.228 1.00 28.54 A C -ATOM 1756 N GLU A 308 94.061 95.069 35.236 1.00 35.09 A N -ATOM 1757 CA GLU A 308 94.795 94.833 33.994 1.00 38.09 A C -ATOM 1758 C GLU A 308 96.332 94.959 34.099 1.00 38.43 A C -ATOM 1759 O GLU A 308 97.068 94.240 33.431 1.00 38.89 A O -ATOM 1760 CB GLU A 308 94.241 95.802 32.962 1.00 40.16 A C -ATOM 1761 CG GLU A 308 92.739 95.609 32.740 1.00 43.20 A C -ATOM 1762 CD GLU A 308 91.980 96.846 32.223 1.00 45.63 A C -ATOM 1763 OE1 GLU A 308 91.878 97.828 32.988 1.00 46.23 A O -ATOM 1764 OE2 GLU A 308 91.486 96.814 31.076 1.00 45.95 A O1- -ATOM 1765 N ASP A 309 96.916 95.840 34.905 1.00 39.00 A N -ATOM 1766 CA ASP A 309 98.364 95.969 35.025 1.00 39.18 A C -ATOM 1767 C ASP A 309 98.791 95.431 36.378 1.00 38.16 A C -ATOM 1768 O ASP A 309 99.989 95.363 36.637 1.00 39.39 A O -ATOM 1769 CB ASP A 309 98.965 97.354 35.145 1.00 40.29 A C -ATOM 1770 CG ASP A 309 98.481 98.513 34.341 1.00 41.78 A C -ATOM 1771 OD1 ASP A 309 98.537 98.428 33.120 1.00 43.96 A O -ATOM 1772 OD2 ASP A 309 98.099 99.511 34.945 1.00 41.70 A O1- -ATOM 1773 N TYR A 310 97.906 95.141 37.318 1.00 36.18 A N -ATOM 1774 CA TYR A 310 98.245 94.671 38.648 1.00 35.47 A C -ATOM 1775 C TYR A 310 98.846 95.790 39.492 1.00 34.21 A C -ATOM 1776 O TYR A 310 99.366 95.548 40.587 1.00 34.09 A O -ATOM 1777 CB TYR A 310 99.235 93.481 38.624 1.00 37.01 A C -ATOM 1778 CG TYR A 310 98.769 92.298 37.786 1.00 38.21 A C -ATOM 1779 CD1 TYR A 310 97.482 91.838 37.913 1.00 38.72 A C -ATOM 1780 CD2 TYR A 310 99.640 91.659 36.940 1.00 38.17 A C -ATOM 1781 CE1 TYR A 310 97.053 90.744 37.216 1.00 38.91 A C -ATOM 1782 CE2 TYR A 310 99.218 90.559 36.239 1.00 38.83 A C -ATOM 1783 CZ TYR A 310 97.927 90.104 36.388 1.00 38.98 A C -ATOM 1784 OH TYR A 310 97.505 88.953 35.753 1.00 39.54 A O -ATOM 1785 N SER A 311 98.701 97.034 39.022 1.00 32.54 A N -ATOM 1786 CA SER A 311 99.181 98.259 39.681 1.00 31.15 A C -ATOM 1787 C SER A 311 98.329 98.515 40.900 1.00 30.34 A C -ATOM 1788 O SER A 311 97.115 98.293 40.888 1.00 30.40 A O -ATOM 1789 CB SER A 311 99.016 99.507 38.833 1.00 30.85 A C -ATOM 1790 OG SER A 311 98.852 99.217 37.448 1.00 30.24 A O -ATOM 1791 N ILE A 312 98.953 99.015 41.930 1.00 28.96 A N -ATOM 1792 CA ILE A 312 98.254 99.303 43.149 1.00 27.98 A C -ATOM 1793 C ILE A 312 98.426 100.790 43.346 1.00 28.13 A C -ATOM 1794 O ILE A 312 99.442 101.335 42.917 1.00 29.43 A O -ATOM 1795 CB ILE A 312 98.886 98.543 44.315 1.00 27.82 A C -ATOM 1796 CG1 ILE A 312 98.970 97.047 44.037 1.00 27.51 A C -ATOM 1797 CG2 ILE A 312 98.055 98.796 45.555 1.00 27.47 A C -ATOM 1798 CD1 ILE A 312 97.671 96.330 43.650 1.00 27.73 A C -ATOM 1799 N ASP A 313 97.449 101.488 43.921 1.00 27.13 A N -ATOM 1800 CA ASP A 313 97.521 102.902 44.206 1.00 25.01 A C -ATOM 1801 C ASP A 313 96.856 103.016 45.559 1.00 23.54 A C -ATOM 1802 O ASP A 313 96.086 102.129 45.912 1.00 23.34 A O -ATOM 1803 CB ASP A 313 96.769 103.702 43.152 1.00 26.77 A C -ATOM 1804 CG ASP A 313 96.773 105.232 43.357 1.00 28.29 A C -ATOM 1805 OD1 ASP A 313 97.696 105.773 43.991 1.00 27.65 A O -ATOM 1806 OD2 ASP A 313 95.829 105.883 42.868 1.00 29.04 A O1- -ATOM 1807 N SER A 314 97.092 103.985 46.411 1.00 22.50 A N -ATOM 1808 CA SER A 314 96.393 104.014 47.702 1.00 22.34 A C -ATOM 1809 C SER A 314 96.399 105.445 48.223 1.00 21.60 A C -ATOM 1810 O SER A 314 97.361 106.189 47.935 1.00 21.90 A O -ATOM 1811 CB SER A 314 97.077 103.068 48.716 1.00 20.74 A C -ATOM 1812 OG SER A 314 98.323 103.536 49.239 1.00 21.48 A O -ATOM 1813 N SER A 315 95.390 105.829 48.994 1.00 20.07 A N -ATOM 1814 CA SER A 315 95.248 107.184 49.522 1.00 19.18 A C -ATOM 1815 C SER A 315 94.420 107.049 50.750 1.00 19.46 A C -ATOM 1816 O SER A 315 94.439 105.948 51.320 1.00 19.46 A O -ATOM 1817 CB SER A 315 94.512 108.084 48.519 1.00 19.00 A C -ATOM 1818 OG SER A 315 93.553 107.460 47.662 1.00 19.81 A O -ATOM 1819 N TYR A 316 93.783 108.113 51.243 1.00 19.25 A N -ATOM 1820 CA TYR A 316 92.895 108.030 52.391 1.00 19.95 A C -ATOM 1821 C TYR A 316 91.557 108.634 51.947 1.00 21.01 A C -ATOM 1822 O TYR A 316 91.473 109.288 50.878 1.00 21.35 A O -ATOM 1823 CB TYR A 316 93.419 108.788 53.571 1.00 18.56 A C -ATOM 1824 CG TYR A 316 94.477 108.018 54.315 1.00 17.79 A C -ATOM 1825 CD1 TYR A 316 95.699 107.832 53.728 1.00 17.50 A C -ATOM 1826 CD2 TYR A 316 94.225 107.497 55.575 1.00 18.48 A C -ATOM 1827 CE1 TYR A 316 96.657 107.106 54.388 1.00 17.54 A C -ATOM 1828 CE2 TYR A 316 95.187 106.769 56.256 1.00 18.17 A C -ATOM 1829 CZ TYR A 316 96.405 106.576 55.636 1.00 18.37 A C -ATOM 1830 OH TYR A 316 97.383 105.775 56.177 1.00 17.26 A O -ATOM 1831 N VAL A 317 90.472 108.331 52.671 1.00 21.76 A N -ATOM 1832 CA VAL A 317 89.193 108.893 52.238 1.00 22.26 A C -ATOM 1833 C VAL A 317 89.158 110.359 52.621 1.00 21.81 A C -ATOM 1834 O VAL A 317 89.503 110.719 53.759 1.00 24.60 A O -ATOM 1835 CB VAL A 317 87.935 108.152 52.841 1.00 23.11 A C -ATOM 1836 CG1 VAL A 317 87.843 106.831 52.093 1.00 23.67 A C -ATOM 1837 CG2 VAL A 317 88.038 107.718 54.282 1.00 21.45 A C -ATOM 1838 N CYS A 318 88.843 111.223 51.662 1.00 20.04 A N -ATOM 1839 CA CYS A 318 88.764 112.656 51.847 1.00 18.28 A C -ATOM 1840 C CYS A 318 87.871 113.121 52.948 1.00 17.66 A C -ATOM 1841 O CYS A 318 88.314 114.028 53.648 1.00 19.05 A O -ATOM 1842 CB CYS A 318 88.288 113.325 50.603 1.00 18.13 A C -ATOM 1843 SG CYS A 318 89.489 113.222 49.254 1.00 17.47 A S -ATOM 1844 N SER A 319 86.651 112.586 53.114 1.00 17.56 A N -ATOM 1845 CA SER A 319 85.711 112.966 54.155 1.00 16.37 A C -ATOM 1846 C SER A 319 86.390 113.376 55.434 1.00 16.08 A C -ATOM 1847 O SER A 319 87.280 112.700 55.927 1.00 14.51 A O -ATOM 1848 CB SER A 319 84.718 111.810 54.527 1.00 17.91 A C -ATOM 1849 OG SER A 319 84.159 111.729 55.884 1.00 17.00 A O -ATOM 1850 N GLY A 320 86.019 114.561 55.885 1.00 16.59 A N -ATOM 1851 CA GLY A 320 86.528 115.070 57.126 1.00 17.04 A C -ATOM 1852 C GLY A 320 85.769 114.398 58.222 1.00 17.57 A C -ATOM 1853 O GLY A 320 86.191 114.482 59.366 1.00 18.07 A O -ATOM 1854 N LEU A 321 84.634 113.745 57.900 1.00 20.75 A N -ATOM 1855 CA LEU A 321 83.846 113.032 58.910 1.00 21.00 A C -ATOM 1856 C LEU A 321 84.624 111.792 59.306 1.00 21.88 A C -ATOM 1857 O LEU A 321 84.473 111.516 60.485 1.00 24.94 A O -ATOM 1858 CB LEU A 321 82.445 112.740 58.372 1.00 20.46 A C -ATOM 1859 CG LEU A 321 81.578 113.995 58.555 1.00 19.89 A C -ATOM 1860 CD1 LEU A 321 80.210 113.830 57.928 1.00 19.03 A C -ATOM 1861 CD2 LEU A 321 81.429 114.256 60.037 1.00 18.69 A C -ATOM 1862 N VAL A 322 85.349 110.947 58.558 1.00 20.71 A N -ATOM 1863 CA VAL A 322 86.180 109.919 59.235 1.00 20.06 A C -ATOM 1864 C VAL A 322 85.490 108.784 59.986 1.00 21.28 A C -ATOM 1865 O VAL A 322 84.935 108.895 61.089 1.00 20.53 A O -ATOM 1866 CB VAL A 322 87.230 110.769 60.167 1.00 19.34 A C -ATOM 1867 CG1 VAL A 322 87.803 110.043 61.359 1.00 15.20 A C -ATOM 1868 CG2 VAL A 322 88.370 111.204 59.267 1.00 17.67 A C -ATOM 1869 N GLY A 323 85.704 107.600 59.403 1.00 21.73 A N -ATOM 1870 CA GLY A 323 85.068 106.426 59.959 1.00 21.91 A C -ATOM 1871 C GLY A 323 85.828 105.461 60.831 1.00 20.55 A C -ATOM 1872 O GLY A 323 85.235 104.388 61.003 1.00 22.35 A O -ATOM 1873 N ASP A 324 87.010 105.637 61.410 1.00 18.60 A N -ATOM 1874 CA ASP A 324 87.550 104.566 62.200 1.00 16.37 A C -ATOM 1875 C ASP A 324 87.168 104.811 63.638 1.00 16.94 A C -ATOM 1876 O ASP A 324 86.495 105.814 63.889 1.00 17.05 A O -ATOM 1877 CB ASP A 324 89.036 104.569 61.971 1.00 18.25 A C -ATOM 1878 CG ASP A 324 89.871 103.296 62.304 1.00 19.07 A C -ATOM 1879 OD1 ASP A 324 89.330 102.270 62.747 1.00 19.33 A O -ATOM 1880 OD2 ASP A 324 91.090 103.348 62.105 1.00 17.97 A O1- -ATOM 1881 N THR A 325 87.449 103.894 64.572 1.00 15.66 A N -ATOM 1882 CA THR A 325 87.152 104.094 65.994 1.00 17.38 A C -ATOM 1883 C THR A 325 88.450 103.637 66.673 1.00 19.58 A C -ATOM 1884 O THR A 325 88.861 102.530 66.291 1.00 22.53 A O -ATOM 1885 CB THR A 325 85.963 103.208 66.425 1.00 16.52 A C -ATOM 1886 OG1 THR A 325 84.914 103.526 65.516 1.00 13.46 A O -ATOM 1887 CG2 THR A 325 85.511 103.418 67.866 1.00 16.22 A C -ATOM 1888 N PRO A 326 89.233 104.312 67.545 1.00 20.46 A N -ATOM 1889 CA PRO A 326 89.055 105.690 67.995 1.00 21.14 A C -ATOM 1890 C PRO A 326 89.189 106.620 66.832 1.00 23.37 A C -ATOM 1891 O PRO A 326 89.808 106.269 65.822 1.00 23.50 A O -ATOM 1892 CB PRO A 326 90.099 105.907 69.024 1.00 20.82 A C -ATOM 1893 CG PRO A 326 90.247 104.547 69.615 1.00 20.43 A C -ATOM 1894 CD PRO A 326 90.315 103.721 68.326 1.00 20.92 A C -ATOM 1895 N ARG A 327 88.510 107.742 67.050 1.00 26.39 A N -ATOM 1896 CA ARG A 327 88.349 108.850 66.131 1.00 28.54 A C -ATOM 1897 C ARG A 327 88.284 110.048 67.080 1.00 30.94 A C -ATOM 1898 O ARG A 327 88.060 109.889 68.287 1.00 29.95 A O -ATOM 1899 CB ARG A 327 87.058 108.538 65.431 1.00 29.84 A C -ATOM 1900 CG ARG A 327 86.388 109.404 64.411 1.00 32.24 A C -ATOM 1901 CD ARG A 327 84.839 109.336 64.494 1.00 33.81 A C -ATOM 1902 NE ARG A 327 84.290 107.999 64.335 1.00 35.77 A N -ATOM 1903 CZ ARG A 327 83.141 107.595 64.906 1.00 36.81 A C -ATOM 1904 NH1 ARG A 327 82.363 108.362 65.673 1.00 36.95 A N1+ -ATOM 1905 NH2 ARG A 327 82.769 106.338 64.716 1.00 37.99 A N -ATOM 1906 N ASN A 328 88.394 111.276 66.564 1.00 33.26 A N -ATOM 1907 CA ASN A 328 88.384 112.454 67.422 1.00 36.08 A C -ATOM 1908 C ASN A 328 87.056 113.032 67.872 1.00 38.11 A C -ATOM 1909 O ASN A 328 86.879 113.335 69.055 1.00 40.05 A O -ATOM 1910 CB ASN A 328 89.171 113.569 66.759 1.00 35.28 A C -ATOM 1911 CG ASN A 328 90.476 113.910 67.471 1.00 34.96 A C -ATOM 1912 OD1 ASN A 328 90.885 113.387 68.512 1.00 33.49 A O -ATOM 1913 ND2 ASN A 328 91.196 114.845 66.873 1.00 34.61 A N -ATOM 1914 N ASP A 329 86.165 113.247 66.920 1.00 39.09 A N -ATOM 1915 CA ASP A 329 84.800 113.772 67.034 1.00 40.32 A C -ATOM 1916 C ASP A 329 84.808 114.728 65.870 1.00 39.66 A C -ATOM 1917 O ASP A 329 85.823 115.349 65.561 1.00 39.56 A O -ATOM 1918 CB ASP A 329 84.387 114.534 68.346 1.00 41.28 A C -ATOM 1919 CG ASP A 329 84.905 115.903 68.758 1.00 43.36 A C -ATOM 1920 OD1 ASP A 329 84.823 116.835 67.964 1.00 43.88 A O -ATOM 1921 OD2 ASP A 329 85.345 116.042 69.910 1.00 44.14 A O1- -ATOM 1922 N ASP A 330 83.641 114.858 65.256 1.00 38.78 A N -ATOM 1923 CA ASP A 330 83.521 115.631 64.044 1.00 38.25 A C -ATOM 1924 C ASP A 330 83.911 117.076 64.071 1.00 38.62 A C -ATOM 1925 O ASP A 330 84.134 117.673 63.028 1.00 37.91 A O -ATOM 1926 CB ASP A 330 82.086 115.496 63.529 1.00 38.24 A C -ATOM 1927 CG ASP A 330 81.527 114.075 63.432 1.00 37.27 A C -ATOM 1928 OD1 ASP A 330 82.270 113.110 63.289 1.00 37.43 A O -ATOM 1929 OD2 ASP A 330 80.319 113.933 63.493 1.00 37.02 A O1- -ATOM 1930 N ARG A 331 83.978 117.658 65.255 1.00 39.30 A N -ATOM 1931 CA ARG A 331 84.345 119.047 65.323 1.00 40.60 A C -ATOM 1932 C ARG A 331 85.829 119.150 65.005 1.00 38.45 A C -ATOM 1933 O ARG A 331 86.262 119.915 64.137 1.00 38.02 A O -ATOM 1934 CB ARG A 331 84.037 119.554 66.716 1.00 44.66 A C -ATOM 1935 CG ARG A 331 83.567 120.976 66.636 1.00 49.90 A C -ATOM 1936 CD ARG A 331 82.981 121.398 67.966 1.00 54.58 A C -ATOM 1937 NE ARG A 331 82.418 122.758 67.857 1.00 58.79 A N -ATOM 1938 CZ ARG A 331 82.180 123.503 68.968 1.00 60.91 A C -ATOM 1939 NH1 ARG A 331 82.460 123.008 70.221 1.00 62.26 A N1+ -ATOM 1940 NH2 ARG A 331 81.629 124.736 68.835 1.00 61.35 A N -ATOM 1941 N SER A 332 86.588 118.305 65.685 1.00 35.38 A N -ATOM 1942 CA SER A 332 88.017 118.268 65.547 1.00 33.04 A C -ATOM 1943 C SER A 332 88.556 117.133 64.717 1.00 32.15 A C -ATOM 1944 O SER A 332 89.586 116.588 65.129 1.00 32.86 A O -ATOM 1945 CB SER A 332 88.552 118.231 66.958 1.00 32.84 A C -ATOM 1946 OG SER A 332 87.755 117.394 67.793 1.00 32.67 A O -ATOM 1947 N SER A 333 87.977 116.699 63.593 1.00 30.97 A N -ATOM 1948 CA SER A 333 88.570 115.580 62.904 1.00 28.82 A C -ATOM 1949 C SER A 333 88.957 116.066 61.530 1.00 28.73 A C -ATOM 1950 O SER A 333 88.373 117.024 61.018 1.00 29.42 A O -ATOM 1951 CB SER A 333 87.571 114.409 62.891 1.00 28.40 A C -ATOM 1952 OG SER A 333 86.367 114.568 62.164 1.00 27.90 A O -ATOM 1953 N ASN A 334 89.958 115.453 60.879 1.00 26.78 A N -ATOM 1954 CA ASN A 334 90.411 115.941 59.595 1.00 24.72 A C -ATOM 1955 C ASN A 334 90.943 114.830 58.739 1.00 22.60 A C -ATOM 1956 O ASN A 334 91.347 113.799 59.252 1.00 20.37 A O -ATOM 1957 CB ASN A 334 91.576 116.953 59.734 1.00 24.77 A C -ATOM 1958 CG ASN A 334 91.263 118.162 60.582 1.00 25.41 A C -ATOM 1959 OD1 ASN A 334 91.511 118.215 61.800 1.00 24.42 A O -ATOM 1960 ND2 ASN A 334 90.626 119.131 59.940 1.00 24.94 A N -ATOM 1961 N SER A 335 90.960 115.081 57.442 1.00 21.39 A N -ATOM 1962 CA SER A 335 91.500 114.147 56.506 1.00 22.15 A C -ATOM 1963 C SER A 335 91.835 115.036 55.312 1.00 23.41 A C -ATOM 1964 O SER A 335 91.098 115.977 54.991 1.00 23.60 A O -ATOM 1965 CB SER A 335 90.511 113.102 56.051 1.00 22.48 A C -ATOM 1966 OG SER A 335 91.193 112.265 55.121 1.00 22.48 A O -ATOM 1967 N ASN A 336 92.989 114.792 54.701 1.00 22.71 A N -ATOM 1968 CA ASN A 336 93.417 115.542 53.549 1.00 22.66 A C -ATOM 1969 C ASN A 336 93.544 114.686 52.290 1.00 22.62 A C -ATOM 1970 O ASN A 336 94.271 115.071 51.356 1.00 23.39 A O -ATOM 1971 CB ASN A 336 94.751 116.183 53.857 1.00 23.75 A C -ATOM 1972 CG ASN A 336 95.939 115.246 53.803 1.00 23.95 A C -ATOM 1973 OD1 ASN A 336 95.801 114.033 54.029 1.00 23.86 A O -ATOM 1974 ND2 ASN A 336 97.128 115.785 53.490 1.00 24.21 A N -ATOM 1975 N CYS A 337 92.903 113.506 52.276 1.00 21.61 A N -ATOM 1976 CA CYS A 337 92.918 112.539 51.186 1.00 20.25 A C -ATOM 1977 C CYS A 337 94.275 111.870 50.949 1.00 21.81 A C -ATOM 1978 O CYS A 337 94.341 110.812 50.324 1.00 21.05 A O -ATOM 1979 CB CYS A 337 92.531 113.132 49.839 1.00 17.29 A C -ATOM 1980 SG CYS A 337 91.111 114.219 49.997 1.00 16.83 A S -ATOM 1981 N ARG A 338 95.381 112.345 51.502 1.00 23.48 A N -ATOM 1982 CA ARG A 338 96.663 111.749 51.219 1.00 24.46 A C -ATOM 1983 C ARG A 338 97.428 111.071 52.334 1.00 24.42 A C -ATOM 1984 O ARG A 338 97.949 109.996 52.056 1.00 23.97 A O -ATOM 1985 CB ARG A 338 97.504 112.829 50.604 1.00 26.14 A C -ATOM 1986 CG ARG A 338 97.103 113.278 49.191 1.00 29.58 A C -ATOM 1987 CD ARG A 338 97.459 114.753 48.921 1.00 33.04 A C -ATOM 1988 NE ARG A 338 98.739 115.002 49.541 1.00 36.99 A N -ATOM 1989 CZ ARG A 338 98.971 115.942 50.459 1.00 39.40 A C -ATOM 1990 NH1 ARG A 338 98.045 116.846 50.808 1.00 39.71 A N1+ -ATOM 1991 NH2 ARG A 338 100.220 115.974 50.961 1.00 41.37 A N -ATOM 1992 N ASN A 339 97.427 111.556 53.576 1.00 23.73 A N -ATOM 1993 CA ASN A 339 98.212 110.963 54.656 1.00 25.16 A C -ATOM 1994 C ASN A 339 97.336 110.548 55.812 1.00 24.04 A C -ATOM 1995 O ASN A 339 96.190 110.976 55.841 1.00 24.74 A O -ATOM 1996 CB ASN A 339 99.265 111.973 55.217 1.00 26.08 A C -ATOM 1997 CG ASN A 339 99.871 112.901 54.166 1.00 27.67 A C -ATOM 1998 OD1 ASN A 339 99.690 114.118 54.295 1.00 28.36 A O -ATOM 1999 ND2 ASN A 339 100.471 112.404 53.201 1.00 28.28 A N -ATOM 2000 N PRO A 340 97.761 109.744 56.788 1.00 24.57 A N -ATOM 2001 CA PRO A 340 97.033 109.498 58.013 1.00 24.91 A C -ATOM 2002 C PRO A 340 96.793 110.786 58.718 1.00 25.54 A C -ATOM 2003 O PRO A 340 97.700 111.575 58.842 1.00 27.18 A O -ATOM 2004 CB PRO A 340 97.892 108.548 58.838 1.00 24.53 A C -ATOM 2005 CG PRO A 340 99.260 108.694 58.267 1.00 24.22 A C -ATOM 2006 CD PRO A 340 98.958 108.915 56.777 1.00 24.47 A C -ATOM 2007 N ASN A 341 95.656 111.037 59.276 1.00 27.42 A N -ATOM 2008 CA ASN A 341 95.417 112.290 59.957 1.00 28.86 A C -ATOM 2009 C ASN A 341 96.137 112.400 61.285 1.00 29.50 A C -ATOM 2010 O ASN A 341 96.201 113.492 61.858 1.00 30.27 A O -ATOM 2011 CB ASN A 341 93.915 112.478 60.196 1.00 28.61 A C -ATOM 2012 CG ASN A 341 93.206 111.483 61.115 1.00 28.23 A C -ATOM 2013 OD1 ASN A 341 93.744 110.562 61.737 1.00 27.62 A O -ATOM 2014 ND2 ASN A 341 91.910 111.646 61.205 1.00 28.24 A N -ATOM 2015 N ASN A 342 96.659 111.303 61.813 1.00 30.05 A N -ATOM 2016 CA ASN A 342 97.343 111.301 63.084 1.00 31.26 A C -ATOM 2017 C ASN A 342 96.452 111.712 64.240 1.00 31.42 A C -ATOM 2018 O ASN A 342 96.933 112.112 65.296 1.00 30.80 A O -ATOM 2019 CB ASN A 342 98.575 112.219 63.057 1.00 33.21 A C -ATOM 2020 CG ASN A 342 99.854 111.437 63.261 1.00 34.80 A C -ATOM 2021 OD1 ASN A 342 100.159 110.917 64.352 1.00 34.53 A O -ATOM 2022 ND2 ASN A 342 100.611 111.347 62.155 1.00 34.93 A N -ATOM 2023 N GLU A 343 95.124 111.617 64.103 1.00 31.41 A N -ATOM 2024 CA GLU A 343 94.200 111.945 65.192 1.00 31.53 A C -ATOM 2025 C GLU A 343 93.843 110.585 65.740 1.00 31.49 A C -ATOM 2026 O GLU A 343 93.327 109.813 64.951 1.00 32.24 A O -ATOM 2027 CB GLU A 343 92.921 112.598 64.702 1.00 31.97 A C -ATOM 2028 CG GLU A 343 93.002 114.074 64.531 1.00 31.76 A C -ATOM 2029 CD GLU A 343 92.528 114.617 63.210 1.00 33.00 A C -ATOM 2030 OE1 GLU A 343 91.690 114.031 62.544 1.00 33.86 A O -ATOM 2031 OE2 GLU A 343 93.009 115.671 62.830 1.00 35.07 A O1- -ATOM 2032 N ARG A 344 94.135 110.203 66.985 1.00 31.51 A N -ATOM 2033 CA ARG A 344 93.826 108.891 67.572 1.00 32.24 A C -ATOM 2034 C ARG A 344 94.008 107.742 66.592 1.00 33.45 A C -ATOM 2035 O ARG A 344 93.131 106.931 66.289 1.00 34.63 A O -ATOM 2036 CB ARG A 344 92.408 108.929 68.103 1.00 31.14 A C -ATOM 2037 CG ARG A 344 92.375 109.963 69.183 1.00 30.28 A C -ATOM 2038 CD ARG A 344 91.034 110.035 69.833 1.00 32.09 A C -ATOM 2039 NE ARG A 344 90.949 109.112 70.952 1.00 34.14 A N -ATOM 2040 CZ ARG A 344 89.775 108.678 71.434 1.00 34.96 A C -ATOM 2041 NH1 ARG A 344 88.592 109.050 70.897 1.00 35.47 A N1+ -ATOM 2042 NH2 ARG A 344 89.802 107.834 72.469 1.00 34.95 A N -ATOM 2043 N GLY A 345 95.206 107.748 66.014 1.00 34.77 A N -ATOM 2044 CA GLY A 345 95.625 106.799 65.001 1.00 35.10 A C -ATOM 2045 C GLY A 345 95.634 105.309 65.324 1.00 35.38 A C -ATOM 2046 O GLY A 345 95.076 104.499 64.561 1.00 35.76 A O -ATOM 2047 N THR A 346 96.314 104.982 66.423 1.00 35.61 A N -ATOM 2048 CA THR A 346 96.458 103.636 66.899 1.00 35.81 A C -ATOM 2049 C THR A 346 95.131 102.960 67.132 1.00 35.51 A C -ATOM 2050 O THR A 346 94.138 103.601 67.450 1.00 36.54 A O -ATOM 2051 CB THR A 346 97.315 103.749 68.148 1.00 36.58 A C -ATOM 2052 OG1 THR A 346 98.506 104.392 67.698 1.00 37.90 A O -ATOM 2053 CG2 THR A 346 97.663 102.438 68.813 1.00 37.61 A C -ATOM 2054 N GLN A 347 95.105 101.665 66.843 1.00 34.81 A N -ATOM 2055 CA GLN A 347 93.964 100.767 66.947 1.00 33.36 A C -ATOM 2056 C GLN A 347 92.963 101.047 65.839 1.00 31.41 A C -ATOM 2057 O GLN A 347 93.219 101.913 64.953 1.00 31.39 A O -ATOM 2058 CB GLN A 347 93.312 100.886 68.281 1.00 34.76 A C -ATOM 2059 CG GLN A 347 94.144 100.088 69.247 1.00 37.94 A C -ATOM 2060 CD GLN A 347 93.823 100.508 70.670 1.00 40.33 A C -ATOM 2061 OE1 GLN A 347 92.661 100.670 71.070 1.00 41.76 A O -ATOM 2062 NE2 GLN A 347 94.857 100.746 71.471 1.00 41.53 A N -ATOM 2063 N GLY A 348 91.816 100.358 65.821 1.00 28.93 A N -ATOM 2064 CA GLY A 348 90.858 100.573 64.763 1.00 24.85 A C -ATOM 2065 C GLY A 348 89.772 99.528 64.826 1.00 22.79 A C -ATOM 2066 O GLY A 348 89.543 98.894 65.864 1.00 21.15 A O -ATOM 2067 N VAL A 349 89.073 99.394 63.717 1.00 19.93 A N -ATOM 2068 CA VAL A 349 87.999 98.425 63.649 1.00 18.15 A C -ATOM 2069 C VAL A 349 87.749 98.256 62.161 1.00 17.69 A C -ATOM 2070 O VAL A 349 87.983 99.181 61.406 1.00 16.84 A O -ATOM 2071 CB VAL A 349 86.782 98.993 64.459 1.00 18.77 A C -ATOM 2072 CG1 VAL A 349 86.277 100.282 63.780 1.00 18.53 A C -ATOM 2073 CG2 VAL A 349 85.684 97.917 64.625 1.00 17.57 A C -ATOM 2074 N LYS A 350 87.445 97.068 61.661 1.00 15.78 A N -ATOM 2075 CA LYS A 350 87.174 96.912 60.241 1.00 13.67 A C -ATOM 2076 C LYS A 350 85.938 97.771 59.876 1.00 14.13 A C -ATOM 2077 O LYS A 350 84.934 97.794 60.609 1.00 13.80 A O -ATOM 2078 CB LYS A 350 86.907 95.428 59.969 1.00 12.24 A C -ATOM 2079 CG LYS A 350 86.592 95.197 58.510 1.00 10.03 A C -ATOM 2080 CD LYS A 350 86.371 93.761 58.246 1.00 8.35 A C -ATOM 2081 CE LYS A 350 85.794 93.644 56.871 1.00 9.31 A C -ATOM 2082 NZ LYS A 350 86.757 93.894 55.809 1.00 8.29 A N1+ -ATOM 2083 N GLY A 351 85.942 98.423 58.723 1.00 14.06 A N -ATOM 2084 CA GLY A 351 84.830 99.255 58.315 1.00 12.08 A C -ATOM 2085 C GLY A 351 84.755 99.282 56.814 1.00 11.93 A C -ATOM 2086 O GLY A 351 85.603 98.664 56.161 1.00 12.66 A O -ATOM 2087 N TRP A 352 83.812 100.024 56.255 1.00 9.49 A N -ATOM 2088 CA TRP A 352 83.633 100.117 54.809 1.00 8.56 A C -ATOM 2089 C TRP A 352 83.244 101.573 54.507 1.00 8.29 A C -ATOM 2090 O TRP A 352 82.994 102.398 55.409 1.00 3.14 A O -ATOM 2091 CB TRP A 352 82.470 99.156 54.341 1.00 9.51 A C -ATOM 2092 CG TRP A 352 81.101 99.454 54.994 1.00 9.41 A C -ATOM 2093 CD1 TRP A 352 80.812 99.052 56.278 1.00 10.13 A C -ATOM 2094 CD2 TRP A 352 80.120 100.230 54.452 1.00 9.55 A C -ATOM 2095 NE1 TRP A 352 79.664 99.603 56.562 1.00 10.37 A N -ATOM 2096 CE2 TRP A 352 79.217 100.319 55.501 1.00 10.97 A C -ATOM 2097 CE3 TRP A 352 79.877 100.887 53.247 1.00 11.39 A C -ATOM 2098 CZ2 TRP A 352 78.059 101.078 55.345 1.00 9.54 A C -ATOM 2099 CZ3 TRP A 352 78.719 101.642 53.091 1.00 10.32 A C -ATOM 2100 CH2 TRP A 352 77.823 101.735 54.141 1.00 10.62 A C -ATOM 2101 N ALA A 353 83.116 101.898 53.213 1.00 7.00 A N -ATOM 2102 CA ALA A 353 82.683 103.183 52.734 1.00 6.78 A C -ATOM 2103 C ALA A 353 82.653 103.025 51.215 1.00 8.30 A C -ATOM 2104 O ALA A 353 83.229 102.059 50.721 1.00 9.16 A O -ATOM 2105 CB ALA A 353 83.666 104.231 53.084 1.00 7.16 A C -ATOM 2106 N PHE A 354 81.933 103.742 50.392 1.00 12.02 A N -ATOM 2107 CA PHE A 354 82.046 103.536 48.957 1.00 15.68 A C -ATOM 2108 C PHE A 354 81.636 104.870 48.380 1.00 19.27 A C -ATOM 2109 O PHE A 354 80.966 105.700 49.029 1.00 19.53 A O -ATOM 2110 CB PHE A 354 81.165 102.410 48.447 1.00 16.40 A C -ATOM 2111 CG PHE A 354 79.658 102.564 48.501 1.00 17.33 A C -ATOM 2112 CD1 PHE A 354 78.971 102.122 49.623 1.00 17.18 A C -ATOM 2113 CD2 PHE A 354 78.973 103.068 47.415 1.00 17.34 A C -ATOM 2114 CE1 PHE A 354 77.589 102.207 49.640 1.00 17.78 A C -ATOM 2115 CE2 PHE A 354 77.588 103.150 47.440 1.00 17.87 A C -ATOM 2116 CZ PHE A 354 76.901 102.709 48.548 1.00 16.95 A C -ATOM 2117 N ASP A 355 82.117 105.071 47.165 1.00 21.87 A N -ATOM 2118 CA ASP A 355 81.926 106.314 46.472 1.00 24.85 A C -ATOM 2119 C ASP A 355 80.726 106.357 45.569 1.00 26.62 A C -ATOM 2120 O ASP A 355 80.256 105.335 45.077 1.00 27.33 A O -ATOM 2121 CB ASP A 355 83.205 106.619 45.657 1.00 24.62 A C -ATOM 2122 CG ASP A 355 83.392 105.768 44.414 1.00 25.79 A C -ATOM 2123 OD1 ASP A 355 83.758 104.606 44.538 1.00 27.26 A O -ATOM 2124 OD2 ASP A 355 83.161 106.255 43.312 1.00 25.68 A O1- -ATOM 2125 N ASN A 356 80.245 107.564 45.345 1.00 27.60 A N -ATOM 2126 CA ASN A 356 79.123 107.795 44.467 1.00 28.63 A C -ATOM 2127 C ASN A 356 79.437 109.207 43.997 1.00 28.00 A C -ATOM 2128 O ASN A 356 79.298 110.198 44.720 1.00 27.80 A O -ATOM 2129 CB ASN A 356 77.794 107.713 45.246 1.00 29.35 A C -ATOM 2130 CG ASN A 356 76.649 108.026 44.309 1.00 29.60 A C -ATOM 2131 OD1 ASN A 356 75.843 108.912 44.568 1.00 31.60 A O -ATOM 2132 ND2 ASN A 356 76.554 107.388 43.157 1.00 29.12 A N -ATOM 2133 N GLY A 357 80.009 109.273 42.790 1.00 27.89 A N -ATOM 2134 CA GLY A 357 80.425 110.533 42.186 1.00 26.43 A C -ATOM 2135 C GLY A 357 81.505 111.157 43.087 1.00 26.26 A C -ATOM 2136 O GLY A 357 82.583 110.584 43.335 1.00 26.21 A O -ATOM 2137 N ASN A 358 81.160 112.297 43.684 1.00 24.78 A N -ATOM 2138 CA ASN A 358 82.102 112.974 44.554 1.00 22.97 A C -ATOM 2139 C ASN A 358 81.694 112.757 45.986 1.00 23.09 A C -ATOM 2140 O ASN A 358 82.314 113.235 46.954 1.00 23.32 A O -ATOM 2141 CB ASN A 358 82.108 114.446 44.286 1.00 23.42 A C -ATOM 2142 CG ASN A 358 82.687 114.795 42.928 1.00 25.50 A C -ATOM 2143 OD1 ASN A 358 83.893 114.959 42.784 1.00 27.12 A O -ATOM 2144 ND2 ASN A 358 81.938 114.934 41.844 1.00 25.29 A N -ATOM 2145 N ASP A 359 80.590 112.049 46.136 1.00 22.68 A N -ATOM 2146 CA ASP A 359 80.021 111.752 47.434 1.00 21.69 A C -ATOM 2147 C ASP A 359 80.497 110.411 47.948 1.00 20.09 A C -ATOM 2148 O ASP A 359 81.024 109.564 47.224 1.00 17.35 A O -ATOM 2149 CB ASP A 359 78.515 111.800 47.282 1.00 23.83 A C -ATOM 2150 CG ASP A 359 78.068 113.115 46.648 1.00 25.19 A C -ATOM 2151 OD1 ASP A 359 78.363 114.165 47.228 1.00 27.51 A O -ATOM 2152 OD2 ASP A 359 77.462 113.088 45.575 1.00 25.50 A O1- -ATOM 2153 N LEU A 360 80.265 110.249 49.245 1.00 18.53 A N -ATOM 2154 CA LEU A 360 80.677 109.055 49.921 1.00 17.86 A C -ATOM 2155 C LEU A 360 79.561 108.513 50.796 1.00 17.21 A C -ATOM 2156 O LEU A 360 78.889 109.305 51.461 1.00 19.70 A O -ATOM 2157 CB LEU A 360 81.889 109.366 50.792 1.00 18.36 A C -ATOM 2158 CG LEU A 360 82.575 108.204 51.509 1.00 18.39 A C -ATOM 2159 CD1 LEU A 360 83.678 107.613 50.634 1.00 18.56 A C -ATOM 2160 CD2 LEU A 360 83.120 108.713 52.828 1.00 19.01 A C -ATOM 2161 N TRP A 361 79.297 107.220 50.734 1.00 14.37 A N -ATOM 2162 CA TRP A 361 78.309 106.585 51.566 1.00 11.99 A C -ATOM 2163 C TRP A 361 79.174 105.889 52.612 1.00 12.20 A C -ATOM 2164 O TRP A 361 80.246 105.402 52.282 1.00 8.87 A O -ATOM 2165 CB TRP A 361 77.506 105.586 50.789 1.00 10.32 A C -ATOM 2166 CG TRP A 361 76.326 106.235 50.122 1.00 9.21 A C -ATOM 2167 CD1 TRP A 361 76.312 106.442 48.762 1.00 10.31 A C -ATOM 2168 CD2 TRP A 361 75.169 106.628 50.743 1.00 8.43 A C -ATOM 2169 NE1 TRP A 361 75.125 106.961 48.532 1.00 9.06 A N -ATOM 2170 CE2 TRP A 361 74.431 107.080 49.686 1.00 9.33 A C -ATOM 2171 CE3 TRP A 361 74.653 106.661 52.011 1.00 9.51 A C -ATOM 2172 CZ2 TRP A 361 73.152 107.581 49.829 1.00 10.00 A C -ATOM 2173 CZ3 TRP A 361 73.377 107.166 52.176 1.00 10.32 A C -ATOM 2174 CH2 TRP A 361 72.631 107.609 51.101 1.00 10.62 A C -ATOM 2175 N MET A 362 78.839 105.850 53.895 1.00 10.65 A N -ATOM 2176 CA MET A 362 79.729 105.197 54.839 1.00 12.26 A C -ATOM 2177 C MET A 362 79.023 104.885 56.105 1.00 12.02 A C -ATOM 2178 O MET A 362 77.902 105.349 56.283 1.00 13.50 A O -ATOM 2179 CB MET A 362 80.902 106.096 55.137 1.00 11.82 A C -ATOM 2180 CG MET A 362 80.599 107.567 55.389 1.00 13.57 A C -ATOM 2181 SD MET A 362 82.051 108.376 56.125 1.00 16.22 A S -ATOM 2182 CE MET A 362 82.021 107.998 57.880 1.00 11.99 A C -ATOM 2183 N GLY A 363 79.672 104.129 56.971 1.00 12.38 A N -ATOM 2184 CA GLY A 363 79.121 103.745 58.243 1.00 11.39 A C -ATOM 2185 C GLY A 363 80.290 103.788 59.195 1.00 12.58 A C -ATOM 2186 O GLY A 363 81.462 103.801 58.772 1.00 13.59 A O -ATOM 2187 N ARG A 364 80.021 103.944 60.462 1.00 10.47 A N -ATOM 2188 CA ARG A 364 81.072 103.963 61.451 1.00 13.02 A C -ATOM 2189 C ARG A 364 80.331 103.651 62.729 1.00 13.54 A C -ATOM 2190 O ARG A 364 79.103 103.559 62.703 1.00 11.23 A O -ATOM 2191 CB ARG A 364 81.726 105.329 61.598 1.00 13.95 A C -ATOM 2192 CG ARG A 364 80.815 106.529 61.386 1.00 17.21 A C -ATOM 2193 CD ARG A 364 81.011 107.642 62.383 1.00 18.10 A C -ATOM 2194 NE ARG A 364 81.170 108.890 61.646 1.00 21.96 A N -ATOM 2195 CZ ARG A 364 80.833 110.099 62.100 1.00 21.11 A C -ATOM 2196 NH1 ARG A 364 80.300 110.343 63.295 1.00 22.61 A N1+ -ATOM 2197 NH2 ARG A 364 81.049 111.108 61.302 1.00 21.41 A N -ATOM 2198 N THR A 365 81.006 103.458 63.855 1.00 16.54 A N -ATOM 2199 CA THR A 365 80.281 103.204 65.087 1.00 19.68 A C -ATOM 2200 C THR A 365 79.693 104.559 65.544 1.00 22.07 A C -ATOM 2201 O THR A 365 80.096 105.613 65.034 1.00 23.50 A O -ATOM 2202 CB THR A 365 81.266 102.635 66.101 1.00 19.90 A C -ATOM 2203 OG1 THR A 365 82.304 103.575 66.181 1.00 21.78 A O -ATOM 2204 CG2 THR A 365 81.937 101.338 65.682 1.00 21.68 A C -ATOM 2205 N ILE A 366 78.700 104.652 66.431 1.00 23.06 A N -ATOM 2206 CA ILE A 366 78.237 105.977 66.818 1.00 23.83 A C -ATOM 2207 C ILE A 366 79.227 106.492 67.849 1.00 25.30 A C -ATOM 2208 O ILE A 366 79.476 107.689 67.934 1.00 27.20 A O -ATOM 2209 CB ILE A 366 76.790 105.905 67.388 1.00 23.02 A C -ATOM 2210 CG1 ILE A 366 75.832 105.660 66.219 1.00 21.13 A C -ATOM 2211 CG2 ILE A 366 76.408 107.187 68.104 1.00 21.79 A C -ATOM 2212 CD1 ILE A 366 74.354 105.566 66.635 1.00 21.62 A C -ATOM 2213 N SER A 367 79.823 105.653 68.678 1.00 26.81 A N -ATOM 2214 CA SER A 367 80.777 106.130 69.661 1.00 27.41 A C -ATOM 2215 C SER A 367 82.070 106.420 68.913 1.00 28.15 A C -ATOM 2216 O SER A 367 82.325 105.914 67.831 1.00 28.70 A O -ATOM 2217 CB SER A 367 80.942 105.042 70.677 1.00 27.20 A C -ATOM 2218 OG SER A 367 81.679 105.368 71.847 1.00 28.79 A O -ATOM 2219 N LYS A 368 82.874 107.346 69.409 1.00 29.21 A N -ATOM 2220 CA LYS A 368 84.162 107.650 68.766 1.00 29.74 A C -ATOM 2221 C LYS A 368 85.266 106.933 69.553 1.00 29.73 A C -ATOM 2222 O LYS A 368 86.439 106.921 69.166 1.00 30.49 A O -ATOM 2223 CB LYS A 368 84.430 109.172 68.762 1.00 29.34 A C -ATOM 2224 CG LYS A 368 84.401 109.767 70.184 1.00 29.81 A C -ATOM 2225 CD LYS A 368 84.696 111.247 70.151 1.00 29.71 A C -ATOM 2226 CE LYS A 368 84.700 111.763 71.566 1.00 30.45 A C -ATOM 2227 NZ LYS A 368 85.774 111.174 72.348 1.00 31.47 A N1+ -ATOM 2228 N ASP A 369 84.903 106.295 70.664 1.00 29.75 A N -ATOM 2229 CA ASP A 369 85.852 105.595 71.495 1.00 30.81 A C -ATOM 2230 C ASP A 369 85.620 104.106 71.621 1.00 30.14 A C -ATOM 2231 O ASP A 369 86.574 103.342 71.685 1.00 31.47 A O -ATOM 2232 CB ASP A 369 85.854 106.089 72.925 1.00 32.28 A C -ATOM 2233 CG ASP A 369 85.939 107.586 73.127 1.00 34.01 A C -ATOM 2234 OD1 ASP A 369 87.041 108.126 73.194 1.00 34.23 A O -ATOM 2235 OD2 ASP A 369 84.882 108.203 73.239 1.00 35.61 A O1- -ATOM 2236 N LEU A 370 84.371 103.678 71.728 1.00 28.93 A N -ATOM 2237 CA LEU A 370 84.021 102.287 71.909 1.00 26.97 A C -ATOM 2238 C LEU A 370 83.339 101.747 70.696 1.00 26.10 A C -ATOM 2239 O LEU A 370 82.865 102.513 69.861 1.00 26.94 A O -ATOM 2240 CB LEU A 370 83.106 102.221 73.109 1.00 26.39 A C -ATOM 2241 CG LEU A 370 83.603 101.662 74.408 1.00 26.18 A C -ATOM 2242 CD1 LEU A 370 85.045 102.027 74.662 1.00 27.57 A C -ATOM 2243 CD2 LEU A 370 82.739 102.204 75.482 1.00 26.32 A C -ATOM 2244 N ARG A 371 83.217 100.436 70.547 1.00 25.84 A N -ATOM 2245 CA ARG A 371 82.518 99.890 69.368 1.00 24.32 A C -ATOM 2246 C ARG A 371 81.050 99.766 69.789 1.00 23.47 A C -ATOM 2247 O ARG A 371 80.617 98.706 70.253 1.00 24.75 A O -ATOM 2248 CB ARG A 371 83.107 98.534 69.007 1.00 23.05 A C -ATOM 2249 CG ARG A 371 84.444 98.654 68.357 1.00 23.19 A C -ATOM 2250 CD ARG A 371 85.127 97.326 68.461 1.00 24.24 A C -ATOM 2251 NE ARG A 371 86.259 97.302 67.559 1.00 24.81 A N -ATOM 2252 CZ ARG A 371 87.045 96.240 67.407 1.00 25.85 A C -ATOM 2253 NH1 ARG A 371 86.859 95.093 68.072 1.00 26.21 A N1+ -ATOM 2254 NH2 ARG A 371 88.056 96.337 66.563 1.00 25.78 A N -ATOM 2255 N SER A 372 80.300 100.885 69.796 1.00 21.68 A N -ATOM 2256 CA SER A 372 78.889 100.917 70.179 1.00 19.22 A C -ATOM 2257 C SER A 372 78.080 101.716 69.173 1.00 17.19 A C -ATOM 2258 O SER A 372 78.566 102.736 68.655 1.00 18.05 A O -ATOM 2259 CB SER A 372 78.754 101.544 71.538 1.00 20.86 A C -ATOM 2260 OG SER A 372 79.509 100.758 72.457 1.00 23.12 A O -ATOM 2261 N GLY A 373 76.891 101.240 68.824 1.00 11.83 A N -ATOM 2262 CA GLY A 373 76.015 101.891 67.882 1.00 9.56 A C -ATOM 2263 C GLY A 373 76.571 101.850 66.487 1.00 9.08 A C -ATOM 2264 O GLY A 373 77.766 101.572 66.333 1.00 8.23 A O -ATOM 2265 N TYR A 374 75.765 102.103 65.463 1.00 8.95 A N -ATOM 2266 CA TYR A 374 76.321 102.076 64.155 1.00 10.03 A C -ATOM 2267 C TYR A 374 75.437 103.025 63.362 1.00 12.95 A C -ATOM 2268 O TYR A 374 74.222 102.966 63.531 1.00 16.13 A O -ATOM 2269 CB TYR A 374 76.282 100.658 63.651 1.00 7.81 A C -ATOM 2270 CG TYR A 374 77.130 100.536 62.393 1.00 6.72 A C -ATOM 2271 CD1 TYR A 374 78.492 100.231 62.535 1.00 6.95 A C -ATOM 2272 CD2 TYR A 374 76.581 100.740 61.155 1.00 5.79 A C -ATOM 2273 CE1 TYR A 374 79.326 100.122 61.453 1.00 4.21 A C -ATOM 2274 CE2 TYR A 374 77.422 100.651 60.050 1.00 4.62 A C -ATOM 2275 CZ TYR A 374 78.770 100.344 60.221 1.00 5.86 A C -ATOM 2276 OH TYR A 374 79.611 100.243 59.136 1.00 7.36 A O -ATOM 2277 N GLU A 375 75.933 103.892 62.478 1.00 15.39 A N -ATOM 2278 CA GLU A 375 75.087 104.823 61.765 1.00 16.52 A C -ATOM 2279 C GLU A 375 75.586 104.890 60.333 1.00 17.20 A C -ATOM 2280 O GLU A 375 76.765 104.570 60.124 1.00 17.96 A O -ATOM 2281 CB GLU A 375 75.217 106.187 62.460 1.00 19.44 A C -ATOM 2282 CG GLU A 375 76.657 106.752 62.400 1.00 23.90 A C -ATOM 2283 CD GLU A 375 76.956 108.068 63.114 1.00 26.45 A C -ATOM 2284 OE1 GLU A 375 76.228 109.030 62.878 1.00 29.74 A O -ATOM 2285 OE2 GLU A 375 77.915 108.162 63.895 1.00 27.59 A O1- -ATOM 2286 N THR A 376 74.796 105.166 59.303 1.00 16.62 A N -ATOM 2287 CA THR A 376 75.346 105.289 57.977 1.00 17.38 A C -ATOM 2288 C THR A 376 74.972 106.662 57.413 1.00 17.96 A C -ATOM 2289 O THR A 376 73.998 107.231 57.914 1.00 19.16 A O -ATOM 2290 CB THR A 376 74.814 104.209 57.062 1.00 18.69 A C -ATOM 2291 OG1 THR A 376 73.400 104.286 56.955 1.00 20.41 A O -ATOM 2292 CG2 THR A 376 75.184 102.866 57.630 1.00 19.64 A C -ATOM 2293 N PHE A 377 75.660 107.299 56.447 1.00 16.42 A N -ATOM 2294 CA PHE A 377 75.241 108.583 55.915 1.00 15.12 A C -ATOM 2295 C PHE A 377 75.953 108.862 54.630 1.00 16.13 A C -ATOM 2296 O PHE A 377 76.886 108.106 54.286 1.00 17.54 A O -ATOM 2297 CB PHE A 377 75.548 109.724 56.878 1.00 14.48 A C -ATOM 2298 CG PHE A 377 76.882 109.761 57.644 1.00 13.40 A C -ATOM 2299 CD1 PHE A 377 78.045 110.199 57.036 1.00 12.63 A C -ATOM 2300 CD2 PHE A 377 76.892 109.409 58.986 1.00 13.01 A C -ATOM 2301 CE1 PHE A 377 79.203 110.280 57.769 1.00 11.78 A C -ATOM 2302 CE2 PHE A 377 78.058 109.505 59.708 1.00 13.40 A C -ATOM 2303 CZ PHE A 377 79.209 109.945 59.091 1.00 12.52 A C -ATOM 2304 N LYS A 378 75.544 109.901 53.917 1.00 15.73 A N -ATOM 2305 CA LYS A 378 76.223 110.273 52.673 1.00 16.76 A C -ATOM 2306 C LYS A 378 76.977 111.530 53.051 1.00 17.30 A C -ATOM 2307 O LYS A 378 76.482 112.315 53.861 1.00 16.79 A O -ATOM 2308 CB LYS A 378 75.289 110.647 51.582 1.00 15.45 A C -ATOM 2309 CG LYS A 378 75.878 110.777 50.196 1.00 14.37 A C -ATOM 2310 CD LYS A 378 74.752 111.608 49.641 1.00 14.85 A C -ATOM 2311 CE LYS A 378 73.965 110.978 48.537 1.00 16.23 A C -ATOM 2312 NZ LYS A 378 74.694 111.046 47.280 1.00 18.57 A N1+ -ATOM 2313 N VAL A 379 78.193 111.751 52.576 1.00 19.21 A N -ATOM 2314 CA VAL A 379 78.965 112.958 52.890 1.00 19.29 A C -ATOM 2315 C VAL A 379 79.098 113.597 51.529 1.00 21.26 A C -ATOM 2316 O VAL A 379 79.695 113.058 50.571 1.00 21.16 A O -ATOM 2317 CB VAL A 379 80.375 112.664 53.447 1.00 19.21 A C -ATOM 2318 CG1 VAL A 379 81.116 113.946 53.705 1.00 18.13 A C -ATOM 2319 CG2 VAL A 379 80.278 111.973 54.796 1.00 18.88 A C -ATOM 2320 N ILE A 380 78.439 114.743 51.406 1.00 22.55 A N -ATOM 2321 CA ILE A 380 78.468 115.472 50.158 1.00 23.51 A C -ATOM 2322 C ILE A 380 79.900 115.951 50.019 1.00 24.03 A C -ATOM 2323 O ILE A 380 80.505 116.491 50.963 1.00 25.20 A O -ATOM 2324 CB ILE A 380 77.518 116.608 50.241 1.00 23.09 A C -ATOM 2325 CG1 ILE A 380 76.169 116.207 50.767 1.00 23.70 A C -ATOM 2326 CG2 ILE A 380 77.331 117.068 48.804 1.00 24.47 A C -ATOM 2327 CD1 ILE A 380 75.315 117.466 51.009 1.00 25.64 A C -ATOM 2328 N GLY A 381 80.483 115.567 48.894 1.00 24.48 A N -ATOM 2329 CA GLY A 381 81.876 115.923 48.627 1.00 24.40 A C -ATOM 2330 C GLY A 381 82.858 114.942 49.302 1.00 24.93 A C -ATOM 2331 O GLY A 381 84.034 114.895 48.931 1.00 24.22 A O -ATOM 2332 N GLY A 382 82.396 114.046 50.195 1.00 24.26 A N -ATOM 2333 CA GLY A 382 83.206 113.086 50.931 1.00 22.84 A C -ATOM 2334 C GLY A 382 84.212 112.271 50.150 1.00 22.75 A C -ATOM 2335 O GLY A 382 85.181 111.806 50.742 1.00 21.49 A O -ATOM 2336 N TRP A 383 84.034 112.090 48.856 1.00 22.17 A N -ATOM 2337 CA TRP A 383 84.972 111.314 48.093 1.00 23.31 A C -ATOM 2338 C TRP A 383 86.063 112.168 47.483 1.00 24.77 A C -ATOM 2339 O TRP A 383 87.209 111.726 47.359 1.00 27.05 A O -ATOM 2340 CB TRP A 383 84.288 110.555 46.924 1.00 23.33 A C -ATOM 2341 CG TRP A 383 85.277 109.656 46.206 1.00 23.06 A C -ATOM 2342 CD1 TRP A 383 85.619 109.924 44.914 1.00 23.66 A C -ATOM 2343 CD2 TRP A 383 86.003 108.607 46.759 1.00 23.45 A C -ATOM 2344 NE1 TRP A 383 86.589 109.059 44.642 1.00 24.82 A N -ATOM 2345 CE2 TRP A 383 86.859 108.257 45.699 1.00 24.45 A C -ATOM 2346 CE3 TRP A 383 86.081 107.912 47.963 1.00 23.02 A C -ATOM 2347 CZ2 TRP A 383 87.791 107.228 45.831 1.00 23.04 A C -ATOM 2348 CZ3 TRP A 383 87.008 106.886 48.091 1.00 23.17 A C -ATOM 2349 CH2 TRP A 383 87.853 106.550 47.038 1.00 22.64 A C -ATOM 2350 N SER A 384 85.718 113.400 47.131 1.00 24.99 A N -ATOM 2351 CA SER A 384 86.644 114.289 46.470 1.00 23.57 A C -ATOM 2352 C SER A 384 87.058 115.552 47.147 1.00 23.01 A C -ATOM 2353 O SER A 384 88.033 116.121 46.647 1.00 24.22 A O -ATOM 2354 CB SER A 384 86.093 114.708 45.150 1.00 24.35 A C -ATOM 2355 OG SER A 384 85.671 113.556 44.464 1.00 25.97 A O -ATOM 2356 N THR A 385 86.481 116.099 48.193 1.00 20.86 A N -ATOM 2357 CA THR A 385 87.066 117.324 48.615 1.00 22.00 A C -ATOM 2358 C THR A 385 87.725 117.085 49.936 1.00 20.70 A C -ATOM 2359 O THR A 385 87.067 116.613 50.873 1.00 20.82 A O -ATOM 2360 CB THR A 385 85.969 118.402 48.632 1.00 23.27 A C -ATOM 2361 OG1 THR A 385 85.008 118.077 49.619 1.00 27.16 A O -ATOM 2362 CG2 THR A 385 85.232 118.450 47.295 1.00 22.86 A C -ATOM 2363 N PRO A 386 89.039 117.329 50.016 1.00 19.84 A N -ATOM 2364 CA PRO A 386 89.781 117.278 51.257 1.00 18.48 A C -ATOM 2365 C PRO A 386 88.897 117.834 52.363 1.00 18.86 A C -ATOM 2366 O PRO A 386 88.206 118.839 52.179 1.00 20.80 A O -ATOM 2367 CB PRO A 386 91.009 118.083 50.923 1.00 17.59 A C -ATOM 2368 CG PRO A 386 91.041 118.296 49.396 1.00 18.62 A C -ATOM 2369 CD PRO A 386 89.966 117.384 48.879 1.00 18.48 A C -ATOM 2370 N ASN A 387 88.712 117.093 53.433 1.00 18.70 A N -ATOM 2371 CA ASN A 387 87.907 117.521 54.551 1.00 18.30 A C -ATOM 2372 C ASN A 387 86.399 117.791 54.460 1.00 19.40 A C -ATOM 2373 O ASN A 387 85.823 118.225 55.464 1.00 19.22 A O -ATOM 2374 CB ASN A 387 88.589 118.719 55.147 1.00 16.99 A C -ATOM 2375 CG ASN A 387 88.777 118.464 56.629 1.00 18.23 A C -ATOM 2376 OD1 ASN A 387 89.165 119.341 57.399 1.00 17.91 A O -ATOM 2377 ND2 ASN A 387 88.683 117.273 57.188 1.00 17.99 A N -ATOM 2378 N SER A 388 85.669 117.466 53.379 1.00 19.40 A N -ATOM 2379 CA SER A 388 84.228 117.699 53.299 1.00 20.13 A C -ATOM 2380 C SER A 388 83.510 117.094 54.454 1.00 21.15 A C -ATOM 2381 O SER A 388 83.789 115.934 54.733 1.00 22.71 A O -ATOM 2382 CB SER A 388 83.582 117.079 52.109 1.00 20.96 A C -ATOM 2383 OG SER A 388 84.430 116.079 51.559 1.00 22.12 A O -ATOM 2384 N LYS A 389 82.650 117.831 55.143 1.00 22.63 A N -ATOM 2385 CA LYS A 389 81.904 117.332 56.286 1.00 22.69 A C -ATOM 2386 C LYS A 389 80.411 117.598 56.131 1.00 23.29 A C -ATOM 2387 O LYS A 389 79.692 117.624 57.127 1.00 22.36 A O -ATOM 2388 CB LYS A 389 82.367 117.994 57.587 1.00 22.17 A C -ATOM 2389 CG LYS A 389 83.820 117.852 57.933 1.00 21.84 A C -ATOM 2390 CD LYS A 389 84.073 118.332 59.373 1.00 21.38 A C -ATOM 2391 CE LYS A 389 85.551 118.100 59.681 1.00 22.35 A C -ATOM 2392 NZ LYS A 389 85.804 118.231 61.100 1.00 22.94 A N1+ -ATOM 2393 N SER A 390 79.873 117.830 54.941 1.00 23.62 A N -ATOM 2394 CA SER A 390 78.452 118.058 54.846 1.00 26.70 A C -ATOM 2395 C SER A 390 77.817 116.685 54.751 1.00 26.80 A C -ATOM 2396 O SER A 390 77.986 115.971 53.758 1.00 27.14 A O -ATOM 2397 CB SER A 390 78.112 118.861 53.593 1.00 28.83 A C -ATOM 2398 OG SER A 390 78.835 120.096 53.493 1.00 33.33 A O -ATOM 2399 N GLN A 391 77.085 116.332 55.793 1.00 27.39 A N -ATOM 2400 CA GLN A 391 76.387 115.055 55.910 1.00 26.95 A C -ATOM 2401 C GLN A 391 74.929 115.162 55.513 1.00 27.76 A C -ATOM 2402 O GLN A 391 74.369 116.257 55.652 1.00 29.93 A O -ATOM 2403 CB GLN A 391 76.497 114.639 57.346 1.00 25.09 A C -ATOM 2404 CG GLN A 391 75.804 113.384 57.667 1.00 25.61 A C -ATOM 2405 CD GLN A 391 75.800 113.070 59.143 1.00 26.32 A C -ATOM 2406 OE1 GLN A 391 74.900 112.364 59.584 1.00 26.73 A O -ATOM 2407 NE2 GLN A 391 76.714 113.520 59.996 1.00 25.23 A N -ATOM 2408 N ILE A 392 74.264 114.107 55.039 1.00 27.63 A N -ATOM 2409 CA ILE A 392 72.843 114.116 54.711 1.00 26.34 A C -ATOM 2410 C ILE A 392 72.397 112.643 54.690 1.00 26.41 A C -ATOM 2411 O ILE A 392 73.270 111.764 54.692 1.00 28.90 A O -ATOM 2412 CB ILE A 392 72.573 114.792 53.340 1.00 27.04 A C -ATOM 2413 CG1 ILE A 392 71.056 115.090 53.334 1.00 28.15 A C -ATOM 2414 CG2 ILE A 392 73.005 113.948 52.146 1.00 25.80 A C -ATOM 2415 CD1 ILE A 392 70.467 116.103 52.334 1.00 27.76 A C -ATOM 2416 N ASN A 393 71.102 112.274 54.746 1.00 23.38 A N -ATOM 2417 CA ASN A 393 70.631 110.896 54.697 1.00 19.26 A C -ATOM 2418 C ASN A 393 71.146 110.002 55.779 1.00 17.41 A C -ATOM 2419 O ASN A 393 71.283 108.805 55.561 1.00 19.09 A O -ATOM 2420 CB ASN A 393 70.956 110.287 53.335 1.00 19.29 A C -ATOM 2421 CG ASN A 393 70.054 110.848 52.248 1.00 21.75 A C -ATOM 2422 OD1 ASN A 393 70.413 110.930 51.066 1.00 22.23 A O -ATOM 2423 ND2 ASN A 393 68.827 111.298 52.535 1.00 22.63 A N -ATOM 2424 N ARG A 394 71.375 110.474 56.995 1.00 15.97 A N -ATOM 2425 CA ARG A 394 71.875 109.558 58.000 1.00 15.84 A C -ATOM 2426 C ARG A 394 70.800 108.567 58.446 1.00 15.89 A C -ATOM 2427 O ARG A 394 69.604 108.859 58.302 1.00 16.32 A O -ATOM 2428 CB ARG A 394 72.442 110.412 59.172 1.00 14.45 A C -ATOM 2429 CG ARG A 394 71.900 110.213 60.549 1.00 13.83 A C -ATOM 2430 CD ARG A 394 72.959 109.894 61.556 1.00 10.98 A C -ATOM 2431 NE ARG A 394 72.145 109.928 62.730 1.00 12.85 A N -ATOM 2432 CZ ARG A 394 72.538 109.567 63.945 1.00 14.04 A C -ATOM 2433 NH1 ARG A 394 73.733 109.112 64.158 1.00 14.50 A N1+ -ATOM 2434 NH2 ARG A 394 71.704 109.629 64.999 1.00 16.89 A N -ATOM 2435 N GLN A 395 71.149 107.358 58.914 1.00 14.90 A N -ATOM 2436 CA GLN A 395 70.221 106.344 59.385 1.00 13.29 A C -ATOM 2437 C GLN A 395 70.829 105.691 60.591 1.00 13.42 A C -ATOM 2438 O GLN A 395 72.037 105.471 60.569 1.00 14.54 A O -ATOM 2439 CB GLN A 395 70.026 105.201 58.419 1.00 12.59 A C -ATOM 2440 CG GLN A 395 69.457 105.632 57.099 1.00 11.75 A C -ATOM 2441 CD GLN A 395 69.225 104.536 56.101 1.00 11.40 A C -ATOM 2442 OE1 GLN A 395 69.625 104.663 54.943 1.00 12.29 A O -ATOM 2443 NE2 GLN A 395 68.539 103.472 56.422 1.00 12.04 A N -ATOM 2444 N VAL A 396 70.160 105.467 61.707 1.00 14.05 A N -ATOM 2445 CA VAL A 396 70.773 104.737 62.794 1.00 15.08 A C -ATOM 2446 C VAL A 396 70.488 103.264 62.385 1.00 17.08 A C -ATOM 2447 O VAL A 396 69.525 102.958 61.663 1.00 20.89 A O -ATOM 2448 CB VAL A 396 70.090 105.053 64.086 1.00 14.83 A C -ATOM 2449 CG1 VAL A 396 70.410 104.019 65.136 1.00 15.26 A C -ATOM 2450 CG2 VAL A 396 70.572 106.397 64.555 1.00 14.93 A C -ATOM 2451 N ILE A 397 71.384 102.324 62.659 1.00 17.94 A N -ATOM 2452 CA ILE A 397 71.203 100.917 62.343 1.00 16.20 A C -ATOM 2453 C ILE A 397 71.257 100.261 63.725 1.00 17.34 A C -ATOM 2454 O ILE A 397 70.491 99.332 63.979 1.00 17.87 A O -ATOM 2455 CB ILE A 397 72.339 100.414 61.472 1.00 16.17 A C -ATOM 2456 CG1 ILE A 397 72.374 101.247 60.190 1.00 16.06 A C -ATOM 2457 CG2 ILE A 397 72.195 98.905 61.247 1.00 14.97 A C -ATOM 2458 CD1 ILE A 397 71.326 101.093 59.057 1.00 14.46 A C -ATOM 2459 N VAL A 398 72.096 100.651 64.668 1.00 16.76 A N -ATOM 2460 CA VAL A 398 72.104 100.026 65.986 1.00 18.72 A C -ATOM 2461 C VAL A 398 72.234 101.269 66.849 1.00 21.45 A C -ATOM 2462 O VAL A 398 73.141 102.086 66.618 1.00 22.17 A O -ATOM 2463 CB VAL A 398 73.340 99.135 66.259 1.00 17.29 A C -ATOM 2464 CG1 VAL A 398 73.264 98.555 67.662 1.00 15.74 A C -ATOM 2465 CG2 VAL A 398 73.401 98.018 65.269 1.00 16.83 A C -ATOM 2466 N ASP A 399 71.297 101.514 67.754 1.00 23.94 A N -ATOM 2467 CA ASP A 399 71.410 102.681 68.594 1.00 26.77 A C -ATOM 2468 C ASP A 399 72.668 102.637 69.444 1.00 27.74 A C -ATOM 2469 O ASP A 399 73.156 101.582 69.848 1.00 27.92 A O -ATOM 2470 CB ASP A 399 70.207 102.804 69.515 1.00 27.53 A C -ATOM 2471 CG ASP A 399 70.025 101.627 70.447 1.00 28.81 A C -ATOM 2472 OD1 ASP A 399 69.546 100.615 69.953 1.00 30.40 A O -ATOM 2473 OD2 ASP A 399 70.349 101.701 71.636 1.00 28.86 A O1- -ATOM 2474 N SER A 400 73.074 103.827 69.844 1.00 29.59 A N -ATOM 2475 CA SER A 400 74.250 104.101 70.643 1.00 30.41 A C -ATOM 2476 C SER A 400 74.290 103.500 72.006 1.00 30.23 A C -ATOM 2477 O SER A 400 75.233 103.749 72.736 1.00 31.14 A O -ATOM 2478 CB SER A 400 74.396 105.608 70.749 1.00 31.87 A C -ATOM 2479 OG SER A 400 73.124 106.185 71.029 1.00 33.83 A O -ATOM 2480 N ASP A 401 73.276 102.781 72.414 1.00 30.42 A N -ATOM 2481 CA ASP A 401 73.337 102.162 73.716 1.00 31.44 A C -ATOM 2482 C ASP A 401 73.585 100.678 73.581 1.00 30.84 A C -ATOM 2483 O ASP A 401 73.651 99.969 74.586 1.00 30.95 A O -ATOM 2484 CB ASP A 401 72.044 102.405 74.475 1.00 34.37 A C -ATOM 2485 CG ASP A 401 72.212 103.624 75.367 1.00 36.89 A C -ATOM 2486 OD1 ASP A 401 72.724 104.657 74.914 1.00 38.84 A O -ATOM 2487 OD2 ASP A 401 71.860 103.528 76.537 1.00 38.62 A O1- -ATOM 2488 N ASN A 402 73.758 100.191 72.351 1.00 28.64 A N -ATOM 2489 CA ASN A 402 73.992 98.785 72.110 1.00 26.92 A C -ATOM 2490 C ASN A 402 75.313 98.629 71.411 1.00 26.72 A C -ATOM 2491 O ASN A 402 75.813 99.563 70.752 1.00 27.24 A O -ATOM 2492 CB ASN A 402 72.925 98.227 71.239 1.00 27.34 A C -ATOM 2493 CG ASN A 402 71.724 97.988 72.094 1.00 28.09 A C -ATOM 2494 OD1 ASN A 402 71.680 97.107 72.945 1.00 29.51 A O -ATOM 2495 ND2 ASN A 402 70.700 98.783 71.915 1.00 27.46 A N -ATOM 2496 N ARG A 403 75.836 97.408 71.483 1.00 24.22 A N -ATOM 2497 CA ARG A 403 77.118 97.084 70.908 1.00 21.00 A C -ATOM 2498 C ARG A 403 77.106 96.779 69.438 1.00 19.72 A C -ATOM 2499 O ARG A 403 76.116 96.209 68.961 1.00 19.81 A O -ATOM 2500 CB ARG A 403 77.680 95.886 71.624 1.00 20.88 A C -ATOM 2501 CG ARG A 403 77.602 95.913 73.141 1.00 20.10 A C -ATOM 2502 CD ARG A 403 78.992 95.728 73.659 1.00 18.00 A C -ATOM 2503 NE ARG A 403 79.327 94.406 74.124 1.00 17.87 A N -ATOM 2504 CZ ARG A 403 80.510 93.881 73.800 1.00 18.20 A C -ATOM 2505 NH1 ARG A 403 81.337 94.459 72.937 1.00 18.58 A N1+ -ATOM 2506 NH2 ARG A 403 80.867 92.697 74.244 1.00 18.01 A N -ATOM 2507 N SER A 404 78.159 97.180 68.723 1.00 18.20 A N -ATOM 2508 CA SER A 404 78.291 96.857 67.308 1.00 17.11 A C -ATOM 2509 C SER A 404 79.662 96.143 67.148 1.00 15.17 A C -ATOM 2510 O SER A 404 80.049 95.334 68.014 1.00 14.25 A O -ATOM 2511 CB SER A 404 78.246 98.117 66.498 1.00 18.27 A C -ATOM 2512 OG SER A 404 79.230 98.931 67.108 1.00 21.54 A O -ATOM 2513 N GLY A 405 80.484 96.368 66.106 1.00 14.33 A N -ATOM 2514 CA GLY A 405 81.761 95.701 65.934 1.00 11.47 A C -ATOM 2515 C GLY A 405 82.236 96.007 64.525 1.00 11.95 A C -ATOM 2516 O GLY A 405 82.137 97.151 64.039 1.00 11.10 A O -ATOM 2517 N TYR A 406 82.746 94.968 63.870 1.00 11.06 A N -ATOM 2518 CA TYR A 406 83.271 95.033 62.518 1.00 10.50 A C -ATOM 2519 C TYR A 406 82.197 95.305 61.499 1.00 9.32 A C -ATOM 2520 O TYR A 406 81.052 95.095 61.846 1.00 9.12 A O -ATOM 2521 CB TYR A 406 83.960 93.695 62.126 1.00 10.17 A C -ATOM 2522 CG TYR A 406 85.395 93.501 62.637 1.00 12.49 A C -ATOM 2523 CD1 TYR A 406 85.913 94.246 63.686 1.00 11.75 A C -ATOM 2524 CD2 TYR A 406 86.230 92.621 61.953 1.00 12.46 A C -ATOM 2525 CE1 TYR A 406 87.261 94.130 64.030 1.00 13.42 A C -ATOM 2526 CE2 TYR A 406 87.582 92.502 62.296 1.00 13.09 A C -ATOM 2527 CZ TYR A 406 88.094 93.272 63.327 1.00 13.96 A C -ATOM 2528 OH TYR A 406 89.468 93.232 63.558 1.00 15.41 A O -ATOM 2529 N SER A 407 82.452 95.753 60.260 1.00 8.60 A N -ATOM 2530 CA SER A 407 81.379 95.925 59.307 1.00 7.52 A C -ATOM 2531 C SER A 407 82.037 95.802 57.945 1.00 8.30 A C -ATOM 2532 O SER A 407 83.246 95.988 57.832 1.00 10.59 A O -ATOM 2533 CB SER A 407 80.724 97.267 59.460 1.00 10.43 A C -ATOM 2534 OG SER A 407 81.575 98.422 59.496 1.00 11.89 A O -ATOM 2535 N GLY A 408 81.359 95.429 56.896 1.00 7.23 A N -ATOM 2536 CA GLY A 408 82.082 95.307 55.649 1.00 6.91 A C -ATOM 2537 C GLY A 408 81.091 95.458 54.537 1.00 6.88 A C -ATOM 2538 O GLY A 408 79.885 95.374 54.794 1.00 6.83 A O -ATOM 2539 N ILE A 409 81.550 95.435 53.304 1.00 6.35 A N -ATOM 2540 CA ILE A 409 80.670 95.649 52.231 1.00 6.74 A C -ATOM 2541 C ILE A 409 80.520 94.390 51.413 1.00 10.95 A C -ATOM 2542 O ILE A 409 81.384 93.504 51.526 1.00 12.02 A O -ATOM 2543 CB ILE A 409 81.314 96.809 51.473 1.00 7.76 A C -ATOM 2544 CG1 ILE A 409 80.201 97.606 50.826 1.00 7.65 A C -ATOM 2545 CG2 ILE A 409 82.386 96.283 50.494 1.00 8.01 A C -ATOM 2546 CD1 ILE A 409 80.557 98.237 49.465 1.00 8.26 A C -ATOM 2547 N PHE A 410 79.464 94.258 50.598 1.00 10.18 A N -ATOM 2548 CA PHE A 410 79.346 93.087 49.749 1.00 11.97 A C -ATOM 2549 C PHE A 410 78.478 93.549 48.568 1.00 12.52 A C -ATOM 2550 O PHE A 410 77.582 94.391 48.722 1.00 13.67 A O -ATOM 2551 CB PHE A 410 78.766 91.901 50.594 1.00 9.70 A C -ATOM 2552 CG PHE A 410 77.329 91.818 51.041 1.00 5.96 A C -ATOM 2553 CD1 PHE A 410 76.392 91.254 50.211 1.00 4.88 A C -ATOM 2554 CD2 PHE A 410 76.965 92.238 52.300 1.00 5.03 A C -ATOM 2555 CE1 PHE A 410 75.091 91.102 50.616 1.00 3.58 A C -ATOM 2556 CE2 PHE A 410 75.641 92.084 52.703 1.00 5.89 A C -ATOM 2557 CZ PHE A 410 74.706 91.514 51.864 1.00 3.60 A C -ATOM 2558 N SER A 411 78.777 93.122 47.367 1.00 13.94 A N -ATOM 2559 CA SER A 411 78.015 93.607 46.258 1.00 13.35 A C -ATOM 2560 C SER A 411 77.123 92.543 45.700 1.00 16.18 A C -ATOM 2561 O SER A 411 77.571 91.386 45.632 1.00 16.37 A O -ATOM 2562 CB SER A 411 79.037 94.113 45.239 1.00 15.22 A C -ATOM 2563 OG SER A 411 79.853 95.197 45.709 1.00 14.32 A O -ATOM 2564 N VAL A 412 75.870 92.840 45.331 1.00 16.23 A N -ATOM 2565 CA VAL A 412 75.026 91.789 44.765 1.00 18.58 A C -ATOM 2566 C VAL A 412 74.758 92.228 43.325 1.00 19.33 A C -ATOM 2567 O VAL A 412 74.493 93.411 43.145 1.00 19.11 A O -ATOM 2568 CB VAL A 412 73.744 91.664 45.637 1.00 18.27 A C -ATOM 2569 CG1 VAL A 412 74.082 91.582 47.146 1.00 16.21 A C -ATOM 2570 CG2 VAL A 412 72.932 92.928 45.502 1.00 21.21 A C -ATOM 2571 N GLU A 413 74.888 91.441 42.257 1.00 20.79 A N -ATOM 2572 CA GLU A 413 74.618 91.994 40.945 1.00 23.98 A C -ATOM 2573 C GLU A 413 73.123 92.063 40.730 1.00 26.06 A C -ATOM 2574 O GLU A 413 72.398 91.088 40.916 1.00 26.92 A O -ATOM 2575 CB GLU A 413 75.184 91.161 39.831 1.00 25.33 A C -ATOM 2576 CG GLU A 413 75.288 92.027 38.620 1.00 28.41 A C -ATOM 2577 CD GLU A 413 75.378 91.261 37.316 1.00 30.57 A C -ATOM 2578 OE1 GLU A 413 74.389 90.651 36.950 1.00 33.57 A O -ATOM 2579 OE2 GLU A 413 76.383 91.302 36.611 1.00 32.57 A O1- -ATOM 2580 N GLY A 414 72.629 93.235 40.384 1.00 27.96 A N -ATOM 2581 CA GLY A 414 71.219 93.382 40.155 1.00 28.86 A C -ATOM 2582 C GLY A 414 70.976 93.221 38.679 1.00 30.53 A C -ATOM 2583 O GLY A 414 71.887 92.940 37.892 1.00 31.19 A O -ATOM 2584 N LYS A 415 69.724 93.470 38.306 1.00 31.15 A N -ATOM 2585 CA LYS A 415 69.284 93.366 36.935 1.00 32.14 A C -ATOM 2586 C LYS A 415 69.863 94.397 35.996 1.00 31.60 A C -ATOM 2587 O LYS A 415 70.130 94.122 34.828 1.00 32.04 A O -ATOM 2588 CB LYS A 415 67.776 93.482 36.884 1.00 33.93 A C -ATOM 2589 CG LYS A 415 67.165 92.869 35.617 1.00 36.86 A C -ATOM 2590 CD LYS A 415 65.667 93.239 35.432 1.00 38.80 A C -ATOM 2591 CE LYS A 415 64.764 92.862 36.633 1.00 39.89 A C -ATOM 2592 NZ LYS A 415 64.817 91.425 36.927 1.00 40.82 A N1+ -ATOM 2593 N SER A 416 70.016 95.615 36.472 1.00 30.79 A N -ATOM 2594 CA SER A 416 70.521 96.674 35.603 1.00 30.23 A C -ATOM 2595 C SER A 416 71.759 97.395 36.134 1.00 28.92 A C -ATOM 2596 O SER A 416 72.520 98.010 35.381 1.00 28.80 A O -ATOM 2597 CB SER A 416 69.344 97.620 35.405 1.00 31.77 A C -ATOM 2598 OG SER A 416 68.748 97.921 36.693 1.00 32.91 A O -ATOM 2599 N CYS A 417 71.958 97.314 37.444 1.00 26.21 A N -ATOM 2600 CA CYS A 417 73.075 97.933 38.102 1.00 24.15 A C -ATOM 2601 C CYS A 417 73.594 97.004 39.207 1.00 24.18 A C -ATOM 2602 O CYS A 417 72.986 95.947 39.452 1.00 23.38 A O -ATOM 2603 CB CYS A 417 72.584 99.228 38.670 1.00 23.42 A C -ATOM 2604 SG CYS A 417 71.248 98.915 39.829 1.00 20.19 A S -ATOM 2605 N ILE A 418 74.749 97.254 39.849 1.00 22.88 A N -ATOM 2606 CA ILE A 418 75.167 96.344 40.893 1.00 20.66 A C -ATOM 2607 C ILE A 418 75.005 97.172 42.170 1.00 19.36 A C -ATOM 2608 O ILE A 418 75.369 98.358 42.308 1.00 19.04 A O -ATOM 2609 CB ILE A 418 76.676 95.727 40.636 1.00 20.89 A C -ATOM 2610 CG1 ILE A 418 77.709 96.577 41.203 1.00 21.24 A C -ATOM 2611 CG2 ILE A 418 77.001 95.531 39.160 1.00 19.63 A C -ATOM 2612 CD1 ILE A 418 78.010 95.890 42.539 1.00 21.94 A C -ATOM 2613 N ASN A 419 74.430 96.511 43.157 1.00 18.65 A N -ATOM 2614 CA ASN A 419 74.131 97.167 44.403 1.00 18.19 A C -ATOM 2615 C ASN A 419 75.137 96.917 45.485 1.00 17.07 A C -ATOM 2616 O ASN A 419 75.863 95.938 45.418 1.00 16.26 A O -ATOM 2617 CB ASN A 419 72.729 96.707 44.772 1.00 19.70 A C -ATOM 2618 CG ASN A 419 72.101 97.384 45.970 1.00 20.99 A C -ATOM 2619 OD1 ASN A 419 71.302 96.781 46.690 1.00 22.43 A O -ATOM 2620 ND2 ASN A 419 72.325 98.661 46.268 1.00 21.80 A N -ATOM 2621 N ARG A 420 75.156 97.744 46.533 1.00 15.74 A N -ATOM 2622 CA ARG A 420 76.112 97.611 47.601 1.00 13.51 A C -ATOM 2623 C ARG A 420 75.335 97.371 48.864 1.00 12.96 A C -ATOM 2624 O ARG A 420 74.327 98.044 49.095 1.00 11.93 A O -ATOM 2625 CB ARG A 420 76.924 98.900 47.752 1.00 13.90 A C -ATOM 2626 CG ARG A 420 77.570 99.408 46.467 1.00 13.35 A C -ATOM 2627 CD ARG A 420 78.794 98.648 46.031 1.00 12.09 A C -ATOM 2628 NE ARG A 420 79.272 99.335 44.863 1.00 12.39 A N -ATOM 2629 CZ ARG A 420 80.022 98.764 43.934 1.00 13.28 A C -ATOM 2630 NH1 ARG A 420 80.392 97.488 44.001 1.00 13.97 A N1+ -ATOM 2631 NH2 ARG A 420 80.402 99.503 42.883 1.00 14.40 A N -ATOM 2632 N CYS A 421 75.794 96.444 49.672 1.00 12.11 A N -ATOM 2633 CA CYS A 421 75.141 96.103 50.914 1.00 11.98 A C -ATOM 2634 C CYS A 421 76.218 96.023 52.000 1.00 11.69 A C -ATOM 2635 O CYS A 421 77.415 96.027 51.664 1.00 9.84 A O -ATOM 2636 CB CYS A 421 74.457 94.757 50.771 1.00 12.72 A C -ATOM 2637 SG CYS A 421 73.330 94.481 49.377 1.00 15.34 A S -ATOM 2638 N PHE A 422 75.885 95.883 53.292 1.00 10.86 A N -ATOM 2639 CA PHE A 422 76.921 95.834 54.312 1.00 8.55 A C -ATOM 2640 C PHE A 422 76.463 94.973 55.464 1.00 8.81 A C -ATOM 2641 O PHE A 422 75.277 94.736 55.582 1.00 8.22 A O -ATOM 2642 CB PHE A 422 77.266 97.223 54.925 1.00 10.00 A C -ATOM 2643 CG PHE A 422 76.187 98.004 55.668 1.00 7.53 A C -ATOM 2644 CD1 PHE A 422 75.305 98.808 54.950 1.00 7.61 A C -ATOM 2645 CD2 PHE A 422 76.091 97.923 57.029 1.00 7.85 A C -ATOM 2646 CE1 PHE A 422 74.322 99.534 55.592 1.00 5.50 A C -ATOM 2647 CE2 PHE A 422 75.102 98.651 57.664 1.00 7.32 A C -ATOM 2648 CZ PHE A 422 74.220 99.452 56.963 1.00 6.55 A C -ATOM 2649 N TYR A 423 77.314 94.494 56.356 1.00 6.10 A N -ATOM 2650 CA TYR A 423 76.793 93.672 57.463 1.00 5.58 A C -ATOM 2651 C TYR A 423 77.340 94.348 58.679 1.00 3.86 A C -ATOM 2652 O TYR A 423 78.355 95.043 58.546 1.00 2.00 A O -ATOM 2653 CB TYR A 423 77.356 92.208 57.451 1.00 4.33 A C -ATOM 2654 CG TYR A 423 78.889 92.155 57.311 1.00 3.59 A C -ATOM 2655 CD1 TYR A 423 79.441 92.124 56.020 1.00 4.38 A C -ATOM 2656 CD2 TYR A 423 79.713 92.174 58.415 1.00 2.86 A C -ATOM 2657 CE1 TYR A 423 80.815 92.118 55.865 1.00 5.30 A C -ATOM 2658 CE2 TYR A 423 81.085 92.172 58.257 1.00 3.06 A C -ATOM 2659 CZ TYR A 423 81.605 92.143 56.992 1.00 6.02 A C -ATOM 2660 OH TYR A 423 82.970 92.150 56.854 1.00 10.03 A O -ATOM 2661 N VAL A 424 76.809 94.249 59.881 1.00 7.49 A N -ATOM 2662 CA VAL A 424 77.504 94.893 60.998 1.00 10.51 A C -ATOM 2663 C VAL A 424 77.374 93.798 62.039 1.00 11.67 A C -ATOM 2664 O VAL A 424 76.364 93.129 62.158 1.00 13.75 A O -ATOM 2665 CB VAL A 424 76.887 96.329 61.404 1.00 11.28 A C -ATOM 2666 CG1 VAL A 424 75.500 96.536 60.880 1.00 12.38 A C -ATOM 2667 CG2 VAL A 424 76.925 96.476 62.893 1.00 12.36 A C -ATOM 2668 N GLU A 425 78.543 93.441 62.540 1.00 13.62 A N -ATOM 2669 CA GLU A 425 78.777 92.411 63.510 1.00 14.72 A C -ATOM 2670 C GLU A 425 78.377 92.935 64.855 1.00 15.86 A C -ATOM 2671 O GLU A 425 78.908 93.986 65.190 1.00 16.97 A O -ATOM 2672 CB GLU A 425 80.272 92.086 63.459 1.00 16.14 A C -ATOM 2673 CG GLU A 425 80.829 91.419 64.724 1.00 15.75 A C -ATOM 2674 CD GLU A 425 82.325 91.149 64.807 1.00 17.45 A C -ATOM 2675 OE1 GLU A 425 83.137 92.046 64.612 1.00 19.34 A O -ATOM 2676 OE2 GLU A 425 82.710 90.043 65.153 1.00 18.96 A O1- -ATOM 2677 N LEU A 426 77.560 92.311 65.685 1.00 16.52 A N -ATOM 2678 CA LEU A 426 77.232 92.903 66.984 1.00 17.50 A C -ATOM 2679 C LEU A 426 77.997 92.058 67.960 1.00 18.36 A C -ATOM 2680 O LEU A 426 77.573 90.902 68.120 1.00 18.65 A O -ATOM 2681 CB LEU A 426 75.755 92.774 67.207 1.00 18.29 A C -ATOM 2682 CG LEU A 426 74.926 93.071 65.974 1.00 18.49 A C -ATOM 2683 CD1 LEU A 426 73.545 92.505 66.209 1.00 18.97 A C -ATOM 2684 CD2 LEU A 426 74.940 94.557 65.658 1.00 18.05 A C -ATOM 2685 N ILE A 427 79.095 92.471 68.599 1.00 19.13 A N -ATOM 2686 CA ILE A 427 79.712 91.486 69.460 1.00 19.69 A C -ATOM 2687 C ILE A 427 79.141 91.559 70.868 1.00 20.19 A C -ATOM 2688 O ILE A 427 78.622 92.587 71.284 1.00 21.28 A O -ATOM 2689 CB ILE A 427 81.350 91.583 69.430 1.00 18.61 A C -ATOM 2690 CG1 ILE A 427 81.823 92.115 70.723 1.00 19.69 A C -ATOM 2691 CG2 ILE A 427 81.958 92.470 68.360 1.00 15.94 A C -ATOM 2692 CD1 ILE A 427 82.497 91.009 71.552 1.00 22.06 A C -ATOM 2693 N ARG A 428 79.208 90.459 71.617 1.00 21.14 A N -ATOM 2694 CA ARG A 428 78.737 90.337 72.987 1.00 21.02 A C -ATOM 2695 C ARG A 428 79.774 89.559 73.734 1.00 21.36 A C -ATOM 2696 O ARG A 428 80.514 88.759 73.143 1.00 20.65 A O -ATOM 2697 CB ARG A 428 77.468 89.504 73.178 1.00 21.45 A C -ATOM 2698 CG ARG A 428 76.228 90.118 72.611 1.00 20.26 A C -ATOM 2699 CD ARG A 428 76.067 91.487 73.241 1.00 19.97 A C -ATOM 2700 NE ARG A 428 74.654 91.635 73.331 1.00 20.95 A N -ATOM 2701 CZ ARG A 428 74.022 91.643 74.474 1.00 20.90 A C -ATOM 2702 NH1 ARG A 428 74.600 91.637 75.668 1.00 20.36 A N1+ -ATOM 2703 NH2 ARG A 428 72.744 91.744 74.375 1.00 21.66 A N -ATOM 2704 N GLY A 429 79.738 89.747 75.041 1.00 22.10 A N -ATOM 2705 CA GLY A 429 80.654 89.033 75.890 1.00 25.41 A C -ATOM 2706 C GLY A 429 81.839 89.852 76.355 1.00 27.79 A C -ATOM 2707 O GLY A 429 81.817 91.091 76.362 1.00 28.23 A O -ATOM 2708 N ARG A 430 82.858 89.123 76.798 1.00 29.32 A N -ATOM 2709 CA ARG A 430 84.051 89.741 77.294 1.00 30.75 A C -ATOM 2710 C ARG A 430 84.804 90.426 76.170 1.00 31.78 A C -ATOM 2711 O ARG A 430 84.663 90.101 74.998 1.00 32.78 A O -ATOM 2712 CB ARG A 430 84.894 88.677 77.983 1.00 31.16 A C -ATOM 2713 CG ARG A 430 84.223 88.382 79.298 1.00 31.97 A C -ATOM 2714 CD ARG A 430 85.186 88.010 80.403 1.00 32.30 A C -ATOM 2715 NE ARG A 430 84.428 87.878 81.638 1.00 34.03 A N -ATOM 2716 CZ ARG A 430 84.999 87.671 82.830 1.00 35.15 A C -ATOM 2717 NH1 ARG A 430 86.312 87.607 82.970 1.00 36.85 A N1+ -ATOM 2718 NH2 ARG A 430 84.274 87.544 83.933 1.00 35.72 A N -ATOM 2719 N LYS A 431 85.613 91.456 76.360 1.00 33.86 A N -ATOM 2720 CA LYS A 431 85.881 92.042 77.657 1.00 34.76 A C -ATOM 2721 C LYS A 431 84.876 93.035 78.197 1.00 34.94 A C -ATOM 2722 O LYS A 431 84.743 93.101 79.421 1.00 34.58 A O -ATOM 2723 CB LYS A 431 87.247 92.687 77.598 1.00 35.96 A C -ATOM 2724 CG LYS A 431 88.269 91.599 77.738 1.00 37.44 A C -ATOM 2725 CD LYS A 431 89.644 92.052 77.313 1.00 39.68 A C -ATOM 2726 CE LYS A 431 90.557 90.935 77.802 1.00 41.27 A C -ATOM 2727 NZ LYS A 431 91.890 91.024 77.223 1.00 43.64 A N1+ -ATOM 2728 N GLN A 432 84.127 93.716 77.317 1.00 34.64 A N -ATOM 2729 CA GLN A 432 83.169 94.710 77.765 1.00 34.82 A C -ATOM 2730 C GLN A 432 82.113 94.175 78.716 1.00 34.81 A C -ATOM 2731 O GLN A 432 81.852 94.853 79.701 1.00 35.52 A O -ATOM 2732 CB GLN A 432 82.488 95.355 76.559 1.00 36.23 A C -ATOM 2733 CG GLN A 432 81.722 96.626 76.925 1.00 38.63 A C -ATOM 2734 CD GLN A 432 81.257 97.540 75.781 1.00 41.01 A C -ATOM 2735 OE1 GLN A 432 81.843 97.630 74.691 1.00 42.94 A O -ATOM 2736 NE2 GLN A 432 80.166 98.284 75.964 1.00 41.34 A N -ATOM 2737 N GLU A 433 81.489 93.015 78.514 1.00 33.78 A N -ATOM 2738 CA GLU A 433 80.476 92.525 79.427 1.00 32.54 A C -ATOM 2739 C GLU A 433 81.101 91.358 80.150 1.00 32.60 A C -ATOM 2740 O GLU A 433 81.472 90.341 79.583 1.00 32.61 A O -ATOM 2741 CB GLU A 433 79.282 92.071 78.664 1.00 32.30 A C -ATOM 2742 CG GLU A 433 78.809 93.139 77.720 1.00 32.38 A C -ATOM 2743 CD GLU A 433 77.546 92.757 76.996 1.00 31.92 A C -ATOM 2744 OE1 GLU A 433 76.471 92.932 77.558 1.00 31.98 A O -ATOM 2745 OE2 GLU A 433 77.649 92.293 75.871 1.00 32.59 A O1- -ATOM 2746 N THR A 434 81.203 91.546 81.434 1.00 33.16 A N -ATOM 2747 CA THR A 434 81.788 90.671 82.420 1.00 33.43 A C -ATOM 2748 C THR A 434 80.964 89.567 83.044 1.00 33.01 A C -ATOM 2749 O THR A 434 81.522 88.756 83.785 1.00 33.23 A O -ATOM 2750 CB THR A 434 82.325 91.688 83.441 1.00 34.29 A C -ATOM 2751 OG1 THR A 434 83.251 92.459 82.683 1.00 36.19 A O -ATOM 2752 CG2 THR A 434 83.029 91.150 84.647 1.00 35.48 A C -ATOM 2753 N ARG A 435 79.657 89.464 82.833 1.00 31.99 A N -ATOM 2754 CA ARG A 435 78.910 88.401 83.498 1.00 30.91 A C -ATOM 2755 C ARG A 435 79.223 86.994 82.988 1.00 30.52 A C -ATOM 2756 O ARG A 435 79.108 85.989 83.695 1.00 29.72 A O -ATOM 2757 CB ARG A 435 77.404 88.631 83.350 1.00 30.83 A C -ATOM 2758 CG ARG A 435 76.705 87.942 84.514 1.00 32.12 A C -ATOM 2759 CD ARG A 435 75.203 87.987 84.480 1.00 32.67 A C -ATOM 2760 NE ARG A 435 74.779 87.076 83.451 1.00 33.70 A N -ATOM 2761 CZ ARG A 435 74.333 85.861 83.721 1.00 32.99 A C -ATOM 2762 NH1 ARG A 435 74.195 85.393 84.951 1.00 32.83 A N1+ -ATOM 2763 NH2 ARG A 435 73.991 85.125 82.698 1.00 33.37 A N -ATOM 2764 N VAL A 436 79.606 86.947 81.717 1.00 28.90 A N -ATOM 2765 CA VAL A 436 79.889 85.704 81.057 1.00 27.15 A C -ATOM 2766 C VAL A 436 81.370 85.625 80.740 1.00 26.65 A C -ATOM 2767 O VAL A 436 82.030 86.660 80.745 1.00 26.28 A O -ATOM 2768 CB VAL A 436 79.019 85.658 79.801 1.00 26.94 A C -ATOM 2769 CG1 VAL A 436 77.567 85.791 80.222 1.00 26.62 A C -ATOM 2770 CG2 VAL A 436 79.415 86.745 78.824 1.00 27.00 A C -ATOM 2771 N TRP A 437 81.914 84.448 80.434 1.00 25.24 A N -ATOM 2772 CA TRP A 437 83.307 84.302 80.118 1.00 23.12 A C -ATOM 2773 C TRP A 437 83.591 84.125 78.667 1.00 22.82 A C -ATOM 2774 O TRP A 437 84.765 83.987 78.318 1.00 23.48 A O -ATOM 2775 CB TRP A 437 83.868 83.147 80.822 1.00 23.48 A C -ATOM 2776 CG TRP A 437 83.863 83.411 82.304 1.00 24.48 A C -ATOM 2777 CD1 TRP A 437 82.749 83.131 83.037 1.00 25.21 A C -ATOM 2778 CD2 TRP A 437 84.900 83.892 83.050 1.00 25.18 A C -ATOM 2779 NE1 TRP A 437 83.085 83.425 84.258 1.00 25.96 A N -ATOM 2780 CE2 TRP A 437 84.346 83.873 84.312 1.00 25.93 A C -ATOM 2781 CE3 TRP A 437 86.194 84.325 82.876 1.00 26.16 A C -ATOM 2782 CZ2 TRP A 437 85.061 84.284 85.417 1.00 26.04 A C -ATOM 2783 CZ3 TRP A 437 86.917 84.733 83.980 1.00 26.00 A C -ATOM 2784 CH2 TRP A 437 86.355 84.717 85.235 1.00 25.81 A C -ATOM 2785 N TRP A 438 82.591 84.147 77.795 1.00 21.14 A N -ATOM 2786 CA TRP A 438 82.768 83.973 76.358 1.00 19.49 A C -ATOM 2787 C TRP A 438 82.716 85.286 75.609 1.00 19.21 A C -ATOM 2788 O TRP A 438 82.361 86.311 76.182 1.00 19.30 A O -ATOM 2789 CB TRP A 438 81.670 83.050 75.802 1.00 19.29 A C -ATOM 2790 CG TRP A 438 80.253 83.436 76.209 1.00 19.68 A C -ATOM 2791 CD1 TRP A 438 79.699 82.844 77.315 1.00 19.96 A C -ATOM 2792 CD2 TRP A 438 79.406 84.357 75.626 1.00 19.13 A C -ATOM 2793 NE1 TRP A 438 78.512 83.389 77.441 1.00 20.28 A N -ATOM 2794 CE2 TRP A 438 78.309 84.291 76.471 1.00 19.13 A C -ATOM 2795 CE3 TRP A 438 79.385 85.229 74.557 1.00 18.90 A C -ATOM 2796 CZ2 TRP A 438 77.190 85.059 76.292 1.00 19.09 A C -ATOM 2797 CZ3 TRP A 438 78.261 86.012 74.369 1.00 19.42 A C -ATOM 2798 CH2 TRP A 438 77.174 85.927 75.222 1.00 19.72 A C -ATOM 2799 N THR A 439 83.007 85.272 74.324 1.00 19.32 A N -ATOM 2800 CA THR A 439 82.954 86.445 73.494 1.00 19.74 A C -ATOM 2801 C THR A 439 82.332 85.885 72.225 1.00 20.95 A C -ATOM 2802 O THR A 439 82.773 84.823 71.773 1.00 21.93 A O -ATOM 2803 CB THR A 439 84.369 86.925 73.257 1.00 20.04 A C -ATOM 2804 OG1 THR A 439 84.951 87.188 74.541 1.00 22.35 A O -ATOM 2805 CG2 THR A 439 84.401 88.108 72.348 1.00 19.45 A C -ATOM 2806 N SER A 440 81.278 86.459 71.658 1.00 21.53 A N -ATOM 2807 CA SER A 440 80.674 85.955 70.434 1.00 20.05 A C -ATOM 2808 C SER A 440 80.031 87.152 69.739 1.00 19.49 A C -ATOM 2809 O SER A 440 80.104 88.270 70.241 1.00 19.77 A O -ATOM 2810 CB SER A 440 79.604 84.931 70.753 1.00 20.79 A C -ATOM 2811 OG SER A 440 79.351 84.065 69.642 1.00 22.26 A O -ATOM 2812 N ASN A 441 79.454 87.020 68.568 1.00 18.50 A N -ATOM 2813 CA ASN A 441 78.797 88.090 67.879 1.00 18.17 A C -ATOM 2814 C ASN A 441 77.514 87.531 67.276 1.00 19.85 A C -ATOM 2815 O ASN A 441 77.151 86.346 67.458 1.00 21.77 A O -ATOM 2816 CB ASN A 441 79.633 88.611 66.743 1.00 16.18 A C -ATOM 2817 CG ASN A 441 79.703 87.661 65.583 1.00 16.46 A C -ATOM 2818 OD1 ASN A 441 80.256 86.589 65.727 1.00 18.15 A O -ATOM 2819 ND2 ASN A 441 79.184 87.929 64.401 1.00 14.36 A N -ATOM 2820 N SER A 442 76.740 88.422 66.650 1.00 19.31 A N -ATOM 2821 CA SER A 442 75.554 88.008 65.931 1.00 17.73 A C -ATOM 2822 C SER A 442 75.534 88.965 64.734 1.00 16.83 A C -ATOM 2823 O SER A 442 76.477 89.765 64.587 1.00 18.10 A O -ATOM 2824 CB SER A 442 74.305 88.105 66.807 1.00 17.60 A C -ATOM 2825 OG SER A 442 73.672 89.330 67.066 1.00 17.42 A O -ATOM 2826 N ILE A 443 74.668 88.920 63.733 1.00 13.95 A N -ATOM 2827 CA ILE A 443 74.820 89.900 62.694 1.00 12.55 A C -ATOM 2828 C ILE A 443 73.440 90.471 62.348 1.00 13.56 A C -ATOM 2829 O ILE A 443 72.395 89.877 62.700 1.00 11.40 A O -ATOM 2830 CB ILE A 443 75.468 89.278 61.407 1.00 12.10 A C -ATOM 2831 CG1 ILE A 443 74.609 88.319 60.677 1.00 10.43 A C -ATOM 2832 CG2 ILE A 443 76.680 88.487 61.811 1.00 11.73 A C -ATOM 2833 CD1 ILE A 443 75.269 88.292 59.292 1.00 10.19 A C -ATOM 2834 N VAL A 444 73.498 91.637 61.683 1.00 11.93 A N -ATOM 2835 CA VAL A 444 72.350 92.343 61.176 1.00 9.61 A C -ATOM 2836 C VAL A 444 72.923 92.837 59.832 1.00 8.06 A C -ATOM 2837 O VAL A 444 74.114 93.166 59.779 1.00 7.18 A O -ATOM 2838 CB VAL A 444 71.933 93.467 62.199 1.00 9.79 A C -ATOM 2839 CG1 VAL A 444 72.889 94.637 62.304 1.00 11.59 A C -ATOM 2840 CG2 VAL A 444 70.607 93.984 61.753 1.00 7.12 A C -ATOM 2841 N VAL A 445 72.196 92.829 58.726 1.00 8.70 A N -ATOM 2842 CA VAL A 445 72.682 93.264 57.408 1.00 9.45 A C -ATOM 2843 C VAL A 445 71.570 93.983 56.669 1.00 10.94 A C -ATOM 2844 O VAL A 445 70.367 93.666 56.777 1.00 13.91 A O -ATOM 2845 CB VAL A 445 73.263 92.024 56.579 1.00 10.23 A C -ATOM 2846 CG1 VAL A 445 72.655 90.756 56.994 1.00 9.12 A C -ATOM 2847 CG2 VAL A 445 73.017 92.162 55.076 1.00 7.86 A C -ATOM 2848 N PHE A 446 71.994 95.078 56.050 1.00 11.60 A N -ATOM 2849 CA PHE A 446 71.171 96.010 55.295 1.00 11.82 A C -ATOM 2850 C PHE A 446 71.654 96.098 53.856 1.00 13.30 A C -ATOM 2851 O PHE A 446 72.855 95.866 53.642 1.00 14.57 A O -ATOM 2852 CB PHE A 446 71.274 97.380 55.916 1.00 11.56 A C -ATOM 2853 CG PHE A 446 70.385 97.521 57.145 1.00 11.93 A C -ATOM 2854 CD1 PHE A 446 70.574 96.709 58.236 1.00 12.46 A C -ATOM 2855 CD2 PHE A 446 69.397 98.483 57.134 1.00 10.51 A C -ATOM 2856 CE1 PHE A 446 69.755 96.865 59.328 1.00 12.35 A C -ATOM 2857 CE2 PHE A 446 68.583 98.640 58.223 1.00 11.23 A C -ATOM 2858 CZ PHE A 446 68.766 97.834 59.321 1.00 12.09 A C -ATOM 2859 N CYS A 447 70.800 96.388 52.863 1.00 15.02 A N -ATOM 2860 CA CYS A 447 71.259 96.529 51.490 1.00 15.93 A C -ATOM 2861 C CYS A 447 70.864 97.882 50.940 1.00 17.94 A C -ATOM 2862 O CYS A 447 69.913 98.486 51.444 1.00 19.22 A O -ATOM 2863 CB CYS A 447 70.677 95.544 50.524 1.00 16.02 A C -ATOM 2864 SG CYS A 447 71.640 94.024 50.411 1.00 15.64 A S -ATOM 2865 N GLY A 448 71.582 98.456 49.971 1.00 20.01 A N -ATOM 2866 CA GLY A 448 71.212 99.740 49.409 1.00 21.22 A C -ATOM 2867 C GLY A 448 69.818 99.671 48.803 1.00 21.24 A C -ATOM 2868 O GLY A 448 69.319 98.589 48.487 1.00 20.75 A O -ATOM 2869 N THR A 449 69.148 100.806 48.665 1.00 21.69 A N -ATOM 2870 CA THR A 449 67.816 100.835 48.087 1.00 23.33 A C -ATOM 2871 C THR A 449 67.648 102.189 47.421 1.00 24.79 A C -ATOM 2872 O THR A 449 68.273 103.161 47.862 1.00 26.54 A O -ATOM 2873 CB THR A 449 66.733 100.645 49.171 1.00 22.30 A C -ATOM 2874 OG1 THR A 449 65.516 100.924 48.503 1.00 22.49 A O -ATOM 2875 CG2 THR A 449 66.795 101.574 50.350 1.00 22.95 A C -ATOM 2876 N SER A 450 66.896 102.259 46.327 1.00 24.12 A N -ATOM 2877 CA SER A 450 66.635 103.511 45.655 1.00 24.25 A C -ATOM 2878 C SER A 450 65.209 103.955 45.995 1.00 24.34 A C -ATOM 2879 O SER A 450 64.724 104.988 45.531 1.00 26.13 A O -ATOM 2880 CB SER A 450 66.786 103.303 44.193 1.00 24.56 A C -ATOM 2881 OG SER A 450 66.148 102.070 43.875 1.00 28.32 A O -ATOM 2882 N GLY A 451 64.517 103.174 46.831 1.00 22.74 A N -ATOM 2883 CA GLY A 451 63.179 103.476 47.246 1.00 19.46 A C -ATOM 2884 C GLY A 451 63.215 104.326 48.486 1.00 17.58 A C -ATOM 2885 O GLY A 451 64.219 104.982 48.749 1.00 18.71 A O -ATOM 2886 N THR A 452 62.241 104.107 49.349 1.00 15.37 A N -ATOM 2887 CA THR A 452 62.050 104.878 50.565 1.00 16.64 A C -ATOM 2888 C THR A 452 62.196 104.048 51.810 1.00 13.84 A C -ATOM 2889 O THR A 452 62.138 102.836 51.723 1.00 16.46 A O -ATOM 2890 CB THR A 452 60.642 105.501 50.432 1.00 18.62 A C -ATOM 2891 OG1 THR A 452 60.702 106.235 49.221 1.00 20.94 A O -ATOM 2892 CG2 THR A 452 60.224 106.441 51.527 1.00 20.41 A C -ATOM 2893 N TYR A 453 62.292 104.605 53.002 1.00 11.95 A N -ATOM 2894 CA TYR A 453 62.473 103.789 54.164 1.00 9.87 A C -ATOM 2895 C TYR A 453 62.141 104.634 55.378 1.00 10.07 A C -ATOM 2896 O TYR A 453 61.943 105.842 55.228 1.00 9.74 A O -ATOM 2897 CB TYR A 453 63.926 103.302 54.137 1.00 12.34 A C -ATOM 2898 CG TYR A 453 64.967 104.388 53.967 1.00 12.78 A C -ATOM 2899 CD1 TYR A 453 65.410 105.045 55.107 1.00 13.87 A C -ATOM 2900 CD2 TYR A 453 65.468 104.711 52.705 1.00 12.94 A C -ATOM 2901 CE1 TYR A 453 66.356 106.036 54.972 1.00 13.61 A C -ATOM 2902 CE2 TYR A 453 66.425 105.696 52.588 1.00 12.60 A C -ATOM 2903 CZ TYR A 453 66.860 106.358 53.725 1.00 13.02 A C -ATOM 2904 OH TYR A 453 67.822 107.393 53.638 1.00 15.06 A O -ATOM 2905 N GLY A 454 62.160 104.074 56.570 1.00 9.82 A N -ATOM 2906 CA GLY A 454 61.792 104.812 57.732 1.00 8.17 A C -ATOM 2907 C GLY A 454 62.920 104.742 58.708 1.00 11.13 A C -ATOM 2908 O GLY A 454 64.090 104.802 58.319 1.00 10.48 A O -ATOM 2909 N THR A 455 62.630 104.533 59.969 1.00 11.75 A N -ATOM 2910 CA THR A 455 63.655 104.502 60.976 1.00 14.15 A C -ATOM 2911 C THR A 455 63.556 103.245 61.857 1.00 16.96 A C -ATOM 2912 O THR A 455 62.535 102.517 61.857 1.00 18.07 A O -ATOM 2913 CB THR A 455 63.380 105.908 61.596 1.00 17.13 A C -ATOM 2914 OG1 THR A 455 64.105 106.862 60.767 1.00 17.25 A O -ATOM 2915 CG2 THR A 455 63.756 106.032 63.042 1.00 16.56 A C -ATOM 2916 N GLY A 456 64.588 102.925 62.628 1.00 15.84 A N -ATOM 2917 CA GLY A 456 64.558 101.796 63.526 1.00 15.95 A C -ATOM 2918 C GLY A 456 65.937 101.684 64.162 1.00 18.06 A C -ATOM 2919 O GLY A 456 66.773 102.558 63.949 1.00 18.51 A O -ATOM 2920 N SER A 457 66.170 100.631 64.942 1.00 18.08 A N -ATOM 2921 CA SER A 457 67.426 100.323 65.591 1.00 18.80 A C -ATOM 2922 C SER A 457 67.287 98.829 65.677 1.00 18.66 A C -ATOM 2923 O SER A 457 66.306 98.335 66.247 1.00 19.99 A O -ATOM 2924 CB SER A 457 67.529 100.820 66.994 1.00 18.80 A C -ATOM 2925 OG SER A 457 68.667 100.239 67.610 1.00 18.83 A O -ATOM 2926 N TRP A 458 68.241 98.072 65.186 1.00 18.61 A N -ATOM 2927 CA TRP A 458 68.152 96.620 65.231 1.00 17.71 A C -ATOM 2928 C TRP A 458 69.404 96.035 65.865 1.00 16.37 A C -ATOM 2929 O TRP A 458 70.344 95.619 65.193 1.00 13.99 A O -ATOM 2930 CB TRP A 458 67.984 96.093 63.804 1.00 18.94 A C -ATOM 2931 CG TRP A 458 66.751 96.577 63.033 1.00 19.61 A C -ATOM 2932 CD1 TRP A 458 65.691 95.742 62.868 1.00 19.51 A C -ATOM 2933 CD2 TRP A 458 66.608 97.757 62.343 1.00 19.72 A C -ATOM 2934 NE1 TRP A 458 64.896 96.365 62.057 1.00 19.92 A N -ATOM 2935 CE2 TRP A 458 65.387 97.562 61.733 1.00 19.95 A C -ATOM 2936 CE3 TRP A 458 67.303 98.931 62.146 1.00 20.00 A C -ATOM 2937 CZ2 TRP A 458 64.828 98.505 60.903 1.00 19.65 A C -ATOM 2938 CZ3 TRP A 458 66.745 99.886 61.319 1.00 19.81 A C -ATOM 2939 CH2 TRP A 458 65.528 99.673 60.693 1.00 20.01 A C -ATOM 2940 N PRO A 459 69.478 96.016 67.174 1.00 15.18 A N -ATOM 2941 CA PRO A 459 70.601 95.481 67.922 1.00 15.68 A C -ATOM 2942 C PRO A 459 70.638 93.972 68.105 1.00 17.34 A C -ATOM 2943 O PRO A 459 69.677 93.270 67.775 1.00 20.09 A O -ATOM 2944 CB PRO A 459 70.504 96.216 69.243 1.00 14.92 A C -ATOM 2945 CG PRO A 459 69.040 96.250 69.471 1.00 13.87 A C -ATOM 2946 CD PRO A 459 68.508 96.638 68.084 1.00 15.50 A C -ATOM 2947 N ASP A 460 71.660 93.457 68.785 1.00 17.89 A N -ATOM 2948 CA ASP A 460 71.776 92.038 69.050 1.00 19.38 A C -ATOM 2949 C ASP A 460 70.511 91.520 69.734 1.00 19.75 A C -ATOM 2950 O ASP A 460 69.877 90.593 69.220 1.00 20.58 A O -ATOM 2951 CB ASP A 460 73.007 91.778 69.926 1.00 18.70 A C -ATOM 2952 CG ASP A 460 73.069 90.352 70.437 1.00 20.18 A C -ATOM 2953 OD1 ASP A 460 73.231 89.439 69.640 1.00 19.93 A O -ATOM 2954 OD2 ASP A 460 72.912 90.160 71.646 1.00 20.48 A O1- -ATOM 2955 N GLY A 461 70.154 92.018 70.910 1.00 19.64 A N -ATOM 2956 CA GLY A 461 68.934 91.568 71.547 1.00 19.30 A C -ATOM 2957 C GLY A 461 69.086 90.664 72.750 1.00 19.97 A C -ATOM 2958 O GLY A 461 68.168 90.609 73.578 1.00 20.93 A O -ATOM 2959 N ALA A 462 70.192 89.951 72.913 1.00 18.61 A N -ATOM 2960 CA ALA A 462 70.305 89.059 74.049 1.00 19.37 A C -ATOM 2961 C ALA A 462 70.295 89.735 75.379 1.00 20.07 A C -ATOM 2962 O ALA A 462 70.779 90.834 75.473 1.00 20.89 A O -ATOM 2963 CB ALA A 462 71.572 88.258 73.980 1.00 18.69 A C -ATOM 2964 N ASN A 463 69.656 89.238 76.422 1.00 22.31 A N -ATOM 2965 CA ASN A 463 69.713 89.904 77.719 1.00 24.03 A C -ATOM 2966 C ASN A 463 70.816 89.132 78.359 1.00 25.69 A C -ATOM 2967 O ASN A 463 70.647 87.940 78.624 1.00 26.41 A O -ATOM 2968 CB ASN A 463 68.431 89.723 78.507 1.00 25.14 A C -ATOM 2969 CG ASN A 463 68.460 90.265 79.923 1.00 25.99 A C -ATOM 2970 OD1 ASN A 463 69.455 90.222 80.640 1.00 27.33 A O -ATOM 2971 ND2 ASN A 463 67.347 90.743 80.431 1.00 27.35 A N -ATOM 2972 N ILE A 464 71.935 89.790 78.610 1.00 28.25 A N -ATOM 2973 CA ILE A 464 73.114 89.176 79.205 1.00 28.76 A C -ATOM 2974 C ILE A 464 72.835 88.414 80.493 1.00 30.41 A C -ATOM 2975 O ILE A 464 73.551 87.453 80.802 1.00 31.32 A O -ATOM 2976 CB ILE A 464 74.146 90.364 79.327 1.00 28.47 A C -ATOM 2977 CG1 ILE A 464 75.381 89.970 78.509 1.00 27.84 A C -ATOM 2978 CG2 ILE A 464 74.466 90.739 80.752 1.00 28.37 A C -ATOM 2979 CD1 ILE A 464 76.283 88.856 79.000 1.00 27.80 A C -ATOM 2980 N ASN A 465 71.777 88.763 81.225 1.00 30.88 A N -ATOM 2981 CA ASN A 465 71.474 88.066 82.458 1.00 31.94 A C -ATOM 2982 C ASN A 465 70.801 86.719 82.277 1.00 32.27 A C -ATOM 2983 O ASN A 465 70.577 85.986 83.246 1.00 32.96 A O -ATOM 2984 CB ASN A 465 70.587 88.897 83.320 1.00 33.53 A C -ATOM 2985 CG ASN A 465 71.316 90.093 83.875 1.00 35.18 A C -ATOM 2986 OD1 ASN A 465 70.953 91.217 83.549 1.00 36.95 A O -ATOM 2987 ND2 ASN A 465 72.347 89.958 84.702 1.00 35.43 A N -ATOM 2988 N PHE A 466 70.418 86.394 81.049 1.00 30.72 A N -ATOM 2989 CA PHE A 466 69.782 85.131 80.759 1.00 29.49 A C -ATOM 2990 C PHE A 466 70.737 84.129 80.169 1.00 29.53 A C -ATOM 2991 O PHE A 466 70.410 82.949 80.057 1.00 30.38 A O -ATOM 2992 CB PHE A 466 68.693 85.291 79.744 1.00 29.38 A C -ATOM 2993 CG PHE A 466 67.527 86.136 80.183 1.00 29.13 A C -ATOM 2994 CD1 PHE A 466 67.340 86.478 81.511 1.00 28.54 A C -ATOM 2995 CD2 PHE A 466 66.647 86.535 79.210 1.00 29.06 A C -ATOM 2996 CE1 PHE A 466 66.276 87.251 81.878 1.00 28.25 A C -ATOM 2997 CE2 PHE A 466 65.577 87.311 79.581 1.00 29.08 A C -ATOM 2998 CZ PHE A 466 65.389 87.656 80.907 1.00 29.58 A C -ATOM 2999 N MET A 467 71.889 84.615 79.710 1.00 28.70 A N -ATOM 3000 CA MET A 467 72.891 83.798 79.053 1.00 26.78 A C -ATOM 3001 C MET A 467 73.532 82.780 79.931 1.00 26.93 A C -ATOM 3002 O MET A 467 73.768 83.055 81.095 1.00 27.41 A O -ATOM 3003 CB MET A 467 73.951 84.675 78.505 1.00 25.43 A C -ATOM 3004 CG MET A 467 73.411 85.653 77.497 1.00 24.55 A C -ATOM 3005 SD MET A 467 72.504 84.824 76.190 1.00 24.21 A S -ATOM 3006 CE MET A 467 73.803 84.022 75.317 1.00 23.05 A C -ATOM 3007 N PRO A 468 73.828 81.582 79.465 1.00 27.55 A N -ATOM 3008 CA PRO A 468 74.835 80.752 80.083 1.00 28.45 A C -ATOM 3009 C PRO A 468 76.136 81.561 80.204 1.00 30.11 A C -ATOM 3010 O PRO A 468 76.436 82.386 79.319 1.00 31.04 A O -ATOM 3011 CB PRO A 468 74.863 79.564 79.158 1.00 28.04 A C -ATOM 3012 CG PRO A 468 74.312 80.034 77.842 1.00 27.52 A C -ATOM 3013 CD PRO A 468 73.219 80.952 78.306 1.00 27.88 A C -ATOM 3014 N ILE A 469 76.873 81.393 81.303 1.00 30.36 A N -ATOM 3015 CA ILE A 469 78.104 82.144 81.477 1.00 31.35 A C -ATOM 3016 C ILE A 469 79.320 81.418 80.923 1.00 32.25 A C -ATOM 3017 O ILE A 469 79.262 80.208 80.763 1.00 34.23 A O -ATOM 3018 CB ILE A 469 78.365 82.463 82.955 1.00 30.28 A C -ATOM 3019 CG1 ILE A 469 78.405 81.234 83.806 1.00 30.06 A C -ATOM 3020 CG2 ILE A 469 77.291 83.423 83.387 1.00 29.81 A C -ATOM 3021 CD1 ILE A 469 79.160 81.569 85.086 1.00 30.84 A C -ATOM 3022 OXT ILE A 469 80.310 82.065 80.626 1.00 32.42 A O1- +ATOM 1 N VAL A 82 0.510 63.530 75.622 1.00 46.67 A N +ATOM 2 CA VAL A 82 0.090 64.241 76.816 1.00 46.67 A C +ATOM 3 C VAL A 82 0.224 65.654 76.295 1.00 46.39 A C +ATOM 4 O VAL A 82 1.159 65.912 75.535 1.00 47.14 A O +ATOM 5 CB VAL A 82 1.071 63.939 77.942 1.00 46.90 A C +ATOM 6 CG1 VAL A 82 0.719 64.680 79.210 1.00 47.69 A C +ATOM 7 CG2 VAL A 82 0.965 62.466 78.275 1.00 47.86 A C +ATOM 8 N GLU A 83 -0.665 66.527 76.743 1.00 45.16 A N +ATOM 9 CA GLU A 83 -0.747 67.898 76.301 1.00 42.65 A C +ATOM 10 C GLU A 83 -0.945 68.761 77.515 1.00 39.46 A C +ATOM 11 O GLU A 83 -1.286 68.262 78.587 1.00 40.30 A O +ATOM 12 CB GLU A 83 -1.888 67.858 75.396 1.00 44.79 A C +ATOM 13 CG GLU A 83 -2.377 68.976 74.554 1.00 48.80 A C +ATOM 14 CD GLU A 83 -3.298 68.304 73.538 1.00 51.21 A C +ATOM 15 OE1 GLU A 83 -4.385 67.821 73.909 1.00 52.16 A O +ATOM 16 OE2 GLU A 83 -2.884 68.227 72.374 1.00 52.99 A O1- +ATOM 17 N TYR A 84 -0.735 70.053 77.352 1.00 35.18 A N +ATOM 18 CA TYR A 84 -0.881 70.964 78.457 1.00 30.30 A C +ATOM 19 C TYR A 84 -2.329 71.349 78.733 1.00 29.16 A C +ATOM 20 O TYR A 84 -3.159 71.485 77.821 1.00 27.30 A O +ATOM 21 CB TYR A 84 -0.086 72.176 78.142 1.00 28.68 A C +ATOM 22 CG TYR A 84 1.408 72.077 78.298 1.00 26.30 A C +ATOM 23 CD1 TYR A 84 1.974 71.679 79.489 1.00 25.85 A C +ATOM 24 CD2 TYR A 84 2.195 72.509 77.271 1.00 25.41 A C +ATOM 25 CE1 TYR A 84 3.329 71.739 79.664 1.00 24.94 A C +ATOM 26 CE2 TYR A 84 3.553 72.566 77.446 1.00 25.57 A C +ATOM 27 CZ TYR A 84 4.099 72.188 78.637 1.00 25.24 A C +ATOM 28 OH TYR A 84 5.451 72.302 78.796 1.00 26.25 A O +ATOM 29 N ARG A 85 -2.650 71.525 80.010 1.00 26.80 A N +ATOM 30 CA ARG A 85 -3.990 71.911 80.376 1.00 26.22 A C +ATOM 31 C ARG A 85 -4.137 73.356 79.987 1.00 27.88 A C +ATOM 32 O ARG A 85 -3.231 74.154 80.256 1.00 29.80 A O +ATOM 33 CB ARG A 85 -4.248 71.798 81.875 1.00 23.07 A C +ATOM 34 CG ARG A 85 -4.313 70.349 82.262 1.00 21.27 A C +ATOM 35 CD ARG A 85 -5.110 69.969 83.492 1.00 18.89 A C +ATOM 36 NE ARG A 85 -4.479 70.297 84.742 1.00 17.28 A N +ATOM 37 CZ ARG A 85 -4.968 69.813 85.887 1.00 17.52 A C +ATOM 38 NH1 ARG A 85 -6.034 69.029 85.903 1.00 16.83 A N1+ +ATOM 39 NH2 ARG A 85 -4.391 70.126 87.056 1.00 17.09 A N +ATOM 40 N ASN A 86 -5.183 73.722 79.254 1.00 29.67 A N +ATOM 41 CA ASN A 86 -5.385 75.130 78.895 1.00 30.79 A C +ATOM 42 C ASN A 86 -6.671 75.657 79.526 1.00 29.77 A C +ATOM 43 O ASN A 86 -7.078 76.777 79.251 1.00 30.43 A O +ATOM 44 CB ASN A 86 -5.482 75.340 77.370 1.00 33.63 A C +ATOM 45 CG ASN A 86 -6.702 74.747 76.665 1.00 36.82 A C +ATOM 46 ND2 ASN A 86 -6.647 74.547 75.342 1.00 39.45 A N +ATOM 47 OD1 ASN A 86 -7.751 74.500 77.278 1.00 38.60 A O +ATOM 48 N TRP A 87 -7.400 74.856 80.308 1.00 28.33 A N +ATOM 49 CA TRP A 87 -8.654 75.241 80.958 1.00 25.65 A C +ATOM 50 C TRP A 87 -9.692 76.049 80.186 1.00 24.71 A C +ATOM 51 O TRP A 87 -10.476 76.747 80.824 1.00 23.13 A O +ATOM 52 CB TRP A 87 -8.317 75.988 82.236 1.00 24.83 A C +ATOM 53 CG TRP A 87 -7.542 75.128 83.227 1.00 24.71 A C +ATOM 54 CD1 TRP A 87 -6.183 75.282 83.336 1.00 25.03 A C +ATOM 55 CD2 TRP A 87 -8.044 74.224 84.139 1.00 24.11 A C +ATOM 56 CE2 TRP A 87 -6.890 73.841 84.823 1.00 24.27 A C +ATOM 57 CE3 TRP A 87 -9.277 73.697 84.470 1.00 23.14 A C +ATOM 58 NE1 TRP A 87 -5.816 74.493 84.321 1.00 25.49 A N +ATOM 59 CZ2 TRP A 87 -6.958 72.941 85.863 1.00 23.83 A C +ATOM 60 CZ3 TRP A 87 -9.349 72.792 85.513 1.00 23.16 A C +ATOM 61 CH2 TRP A 87 -8.200 72.427 86.201 1.00 24.64 A C +ATOM 62 N SER A 88 -9.796 75.979 78.856 1.00 23.42 A N +ATOM 63 CA SER A 88 -10.789 76.785 78.208 1.00 24.92 A C +ATOM 64 C SER A 88 -12.158 76.130 78.042 1.00 25.67 A C +ATOM 65 O SER A 88 -12.526 75.608 76.984 1.00 26.71 A O +ATOM 66 CB SER A 88 -10.238 77.237 76.861 1.00 25.08 A C +ATOM 67 OG SER A 88 -9.831 76.154 76.038 1.00 27.87 A O +ATOM 68 N LYS A 89 -12.957 76.124 79.103 1.00 24.96 A N +ATOM 69 CA LYS A 89 -14.297 75.556 79.086 1.00 25.10 A C +ATOM 70 C LYS A 89 -15.088 76.427 80.061 1.00 24.54 A C +ATOM 71 O LYS A 89 -14.502 76.955 81.027 1.00 25.18 A O +ATOM 72 CB LYS A 89 -14.335 74.138 79.613 1.00 26.03 A C +ATOM 73 CG LYS A 89 -14.046 73.068 78.610 1.00 26.49 A C +ATOM 74 CD LYS A 89 -14.040 71.737 79.319 1.00 26.27 A C +ATOM 75 CE LYS A 89 -13.737 70.739 78.220 1.00 26.52 A C +ATOM 76 NZ LYS A 89 -13.502 69.431 78.774 1.00 26.88 A N1+ +ATOM 77 N PRO A 90 -16.387 76.658 79.842 1.00 22.63 A N +ATOM 78 CA PRO A 90 -17.208 77.488 80.699 1.00 21.81 A C +ATOM 79 C PRO A 90 -17.167 77.021 82.134 1.00 21.36 A C +ATOM 80 O PRO A 90 -16.865 75.869 82.384 1.00 20.87 A O +ATOM 81 CB PRO A 90 -18.560 77.359 80.146 1.00 23.21 A C +ATOM 82 CG PRO A 90 -18.414 76.893 78.721 1.00 23.22 A C +ATOM 83 CD PRO A 90 -17.137 76.104 78.723 1.00 22.95 A C +ATOM 84 N GLN A 91 -17.430 77.833 83.139 1.00 21.98 A N +ATOM 85 CA GLN A 91 -17.451 77.348 84.512 1.00 22.42 A C +ATOM 86 C GLN A 91 -18.773 76.583 84.523 1.00 23.47 A C +ATOM 87 O GLN A 91 -19.708 76.929 83.779 1.00 23.66 A O +ATOM 88 CB GLN A 91 -17.502 78.519 85.460 1.00 21.47 A C +ATOM 89 CG GLN A 91 -17.635 78.132 86.896 1.00 22.86 A C +ATOM 90 CD GLN A 91 -17.599 79.341 87.801 1.00 25.27 A C +ATOM 91 NE2 GLN A 91 -18.706 79.869 88.300 1.00 26.55 A N +ATOM 92 OE1 GLN A 91 -16.536 79.863 88.122 1.00 26.20 A O +ATOM 93 N CYS A 92 -18.921 75.492 85.242 1.00 24.37 A N +ATOM 94 CA CYS A 92 -20.200 74.817 85.243 1.00 24.72 A C +ATOM 95 C CYS A 92 -21.154 75.665 86.050 1.00 27.57 A C +ATOM 96 O CYS A 92 -20.745 76.378 86.984 1.00 28.87 A O +ATOM 97 CB CYS A 92 -20.180 73.508 85.936 1.00 23.48 A C +ATOM 98 SG CYS A 92 -18.938 72.380 85.337 1.00 20.26 A S +ATOM 99 N GLN A 93 -22.439 75.626 85.682 1.00 30.64 A N +ATOM 100 CA GLN A 93 -23.462 76.360 86.423 1.00 32.50 A C +ATOM 101 C GLN A 93 -23.687 75.523 87.655 1.00 31.87 A C +ATOM 102 O GLN A 93 -23.734 74.293 87.550 1.00 33.68 A O +ATOM 103 CB GLN A 93 -24.744 76.467 85.632 1.00 35.19 A C +ATOM 104 CG GLN A 93 -24.691 77.751 84.809 1.00 38.87 A C +ATOM 105 CD GLN A 93 -24.624 79.027 85.667 1.00 41.61 A C +ATOM 106 NE2 GLN A 93 -24.430 80.161 85.012 1.00 42.53 A N +ATOM 107 OE1 GLN A 93 -24.724 79.051 86.909 1.00 42.78 A O +ATOM 108 N ILE A 94 -23.748 76.109 88.832 1.00 30.33 A N +ATOM 109 CA ILE A 94 -23.927 75.261 89.971 1.00 28.40 A C +ATOM 110 C ILE A 94 -25.091 75.836 90.732 1.00 27.59 A C +ATOM 111 O ILE A 94 -25.388 77.031 90.671 1.00 28.59 A O +ATOM 112 CB ILE A 94 -22.640 75.187 90.909 1.00 28.54 A C +ATOM 113 CG1 ILE A 94 -22.393 76.480 91.632 1.00 28.08 A C +ATOM 114 CG2 ILE A 94 -21.376 74.942 90.105 1.00 29.01 A C +ATOM 115 CD1 ILE A 94 -21.775 76.130 93.004 1.00 26.88 A C +ATOM 116 N THR A 95 -25.687 74.895 91.441 1.00 25.10 A N +ATOM 117 CA THR A 95 -26.839 75.014 92.308 1.00 22.16 A C +ATOM 118 C THR A 95 -26.436 75.078 93.762 1.00 19.78 A C +ATOM 119 O THR A 95 -27.230 75.404 94.649 1.00 19.36 A O +ATOM 120 CB THR A 95 -27.646 73.771 92.001 1.00 23.35 A C +ATOM 121 CG2 THR A 95 -28.798 73.504 92.923 1.00 23.86 A C +ATOM 122 OG1 THR A 95 -28.021 73.961 90.639 1.00 22.72 A O +ATOM 123 N GLY A 96 -25.219 74.658 94.056 1.00 17.73 A N +ATOM 124 CA GLY A 96 -24.715 74.596 95.435 1.00 16.85 A C +ATOM 125 C GLY A 96 -23.647 73.487 95.436 1.00 18.43 A C +ATOM 126 O GLY A 96 -23.177 73.056 94.352 1.00 16.96 A O +ATOM 127 N PHE A 97 -23.303 72.974 96.605 1.00 16.54 A N +ATOM 128 CA PHE A 97 -22.287 71.954 96.718 1.00 17.90 A C +ATOM 129 C PHE A 97 -22.809 70.635 97.258 1.00 17.60 A C +ATOM 130 O PHE A 97 -23.752 70.652 98.045 1.00 18.13 A O +ATOM 131 CB PHE A 97 -21.166 72.523 97.605 1.00 17.73 A C +ATOM 132 CG PHE A 97 -20.594 73.768 96.926 1.00 18.59 A C +ATOM 133 CD1 PHE A 97 -19.593 73.629 95.987 1.00 18.68 A C +ATOM 134 CD2 PHE A 97 -21.123 75.027 97.200 1.00 17.89 A C +ATOM 135 CE1 PHE A 97 -19.135 74.740 95.322 1.00 18.38 A C +ATOM 136 CE2 PHE A 97 -20.652 76.128 96.527 1.00 17.59 A C +ATOM 137 CZ PHE A 97 -19.664 75.988 95.596 1.00 17.69 A C +ATOM 138 N ALA A 98 -22.223 69.503 96.816 1.00 16.96 A N +ATOM 139 CA ALA A 98 -22.570 68.143 97.206 1.00 17.22 A C +ATOM 140 C ALA A 98 -21.384 67.510 97.955 1.00 16.89 A C +ATOM 141 O ALA A 98 -20.260 67.909 97.644 1.00 17.24 A O +ATOM 142 CB ALA A 98 -22.858 67.334 95.963 1.00 16.20 A C +ATOM 143 N PRO A 99 -21.503 66.606 98.951 1.00 17.06 A N +ATOM 144 CA PRO A 99 -20.367 66.021 99.692 1.00 17.28 A C +ATOM 145 C PRO A 99 -19.388 65.296 98.762 1.00 18.53 A C +ATOM 146 O PRO A 99 -19.798 64.658 97.769 1.00 20.09 A O +ATOM 147 CB PRO A 99 -20.985 65.087 100.704 1.00 16.82 A C +ATOM 148 CG PRO A 99 -22.422 65.522 100.763 1.00 16.75 A C +ATOM 149 CD PRO A 99 -22.724 65.910 99.317 1.00 16.31 A C +ATOM 150 N PHE A 100 -18.090 65.401 99.012 1.00 16.89 A N +ATOM 151 CA PHE A 100 -17.165 64.732 98.125 1.00 16.79 A C +ATOM 152 C PHE A 100 -16.168 63.872 98.864 1.00 15.97 A C +ATOM 153 O PHE A 100 -15.984 62.756 98.386 1.00 14.69 A O +ATOM 154 CB PHE A 100 -16.449 65.770 97.304 1.00 16.79 A C +ATOM 155 CG PHE A 100 -15.596 65.243 96.166 1.00 17.27 A C +ATOM 156 CD1 PHE A 100 -16.060 64.242 95.331 1.00 16.83 A C +ATOM 157 CD2 PHE A 100 -14.340 65.803 95.961 1.00 16.78 A C +ATOM 158 CE1 PHE A 100 -15.247 63.795 94.299 1.00 16.75 A C +ATOM 159 CE2 PHE A 100 -13.545 65.352 94.929 1.00 15.50 A C +ATOM 160 CZ PHE A 100 -14.003 64.358 94.099 1.00 16.84 A C +ATOM 161 N SER A 101 -15.525 64.263 99.976 1.00 14.45 A N +ATOM 162 CA SER A 101 -14.588 63.387 100.636 1.00 13.90 A C +ATOM 163 C SER A 101 -14.378 63.821 102.062 1.00 14.52 A C +ATOM 164 O SER A 101 -14.681 64.966 102.371 1.00 15.71 A O +ATOM 165 CB SER A 101 -13.308 63.436 99.925 1.00 15.66 A C +ATOM 166 OG SER A 101 -12.399 62.492 100.456 1.00 16.22 A O +ATOM 167 N LYS A 102 -13.892 62.993 102.935 1.00 11.37 A N +ATOM 168 CA LYS A 102 -13.629 63.307 104.324 1.00 13.52 A C +ATOM 169 C LYS A 102 -12.539 62.279 104.625 1.00 15.68 A C +ATOM 170 O LYS A 102 -12.683 61.136 104.186 1.00 16.07 A O +ATOM 171 CB LYS A 102 -14.855 63.069 105.169 1.00 11.66 A C +ATOM 172 CG LYS A 102 -14.606 63.172 106.661 1.00 12.09 A C +ATOM 173 CD LYS A 102 -15.784 63.902 107.229 1.00 13.12 A C +ATOM 174 CE LYS A 102 -16.110 63.582 108.645 1.00 11.86 A C +ATOM 175 NZ LYS A 102 -15.021 63.722 109.586 1.00 14.45 A N1+ +ATOM 176 N ASP A 103 -11.414 62.583 105.293 1.00 18.18 A N +ATOM 177 CA ASP A 103 -10.432 61.546 105.489 1.00 21.09 A C +ATOM 178 C ASP A 103 -10.384 61.057 106.900 1.00 22.02 A C +ATOM 179 O ASP A 103 -9.649 60.108 107.179 1.00 24.18 A O +ATOM 180 CB ASP A 103 -9.015 62.014 105.071 1.00 22.93 A C +ATOM 181 CG ASP A 103 -8.322 63.114 105.881 1.00 25.70 A C +ATOM 182 OD1 ASP A 103 -8.825 63.504 106.943 1.00 26.01 A O +ATOM 183 OD2 ASP A 103 -7.253 63.581 105.434 1.00 26.93 A O1- +ATOM 184 N ASN A 104 -11.065 61.745 107.812 1.00 21.62 A N +ATOM 185 CA ASN A 104 -11.094 61.333 109.208 1.00 20.62 A C +ATOM 186 C ASN A 104 -9.772 61.116 109.936 1.00 21.80 A C +ATOM 187 O ASN A 104 -9.760 60.385 110.938 1.00 23.59 A O +ATOM 188 CB ASN A 104 -11.911 60.043 109.372 1.00 19.86 A C +ATOM 189 CG ASN A 104 -13.405 60.176 109.142 1.00 19.49 A C +ATOM 190 ND2 ASN A 104 -14.147 60.747 110.076 1.00 18.20 A N +ATOM 191 OD1 ASN A 104 -13.940 59.797 108.101 1.00 16.34 A O +ATOM 192 N SER A 105 -8.665 61.823 109.589 1.00 22.14 A N +ATOM 193 CA SER A 105 -7.379 61.679 110.242 1.00 22.07 A C +ATOM 194 C SER A 105 -7.359 61.793 111.751 1.00 21.79 A C +ATOM 195 O SER A 105 -6.656 61.003 112.363 1.00 22.40 A O +ATOM 196 CB SER A 105 -6.344 62.696 109.686 1.00 25.03 A C +ATOM 197 OG SER A 105 -5.734 62.308 108.415 1.00 27.39 A O +ATOM 198 N ILE A 106 -8.124 62.617 112.455 1.00 21.61 A N +ATOM 199 CA ILE A 106 -8.017 62.672 113.924 1.00 20.94 A C +ATOM 200 C ILE A 106 -8.699 61.524 114.647 1.00 21.89 A C +ATOM 201 O ILE A 106 -8.153 61.072 115.660 1.00 23.25 A O +ATOM 202 CB ILE A 106 -8.575 64.027 114.459 1.00 20.14 A C +ATOM 203 CG1 ILE A 106 -7.880 65.190 113.788 1.00 19.72 A C +ATOM 204 CG2 ILE A 106 -8.275 64.190 115.945 1.00 20.08 A C +ATOM 205 CD1 ILE A 106 -6.363 65.259 114.028 1.00 19.40 A C +ATOM 206 N ARG A 107 -9.838 60.962 114.183 1.00 21.64 A N +ATOM 207 CA ARG A 107 -10.484 59.868 114.905 1.00 19.99 A C +ATOM 208 C ARG A 107 -9.547 58.690 114.810 1.00 18.94 A C +ATOM 209 O ARG A 107 -9.249 58.077 115.854 1.00 19.11 A O +ATOM 210 CB ARG A 107 -11.802 59.427 114.311 1.00 21.22 A C +ATOM 211 CG ARG A 107 -12.821 60.528 114.020 1.00 22.76 A C +ATOM 212 CD ARG A 107 -14.127 59.977 113.443 1.00 23.81 A C +ATOM 213 NE ARG A 107 -15.015 59.618 114.537 1.00 25.04 A N +ATOM 214 CZ ARG A 107 -15.841 58.582 114.507 1.00 25.87 A C +ATOM 215 NH1 ARG A 107 -15.945 57.792 113.461 1.00 27.00 A N1+ +ATOM 216 NH2 ARG A 107 -16.617 58.310 115.545 1.00 26.56 A N +ATOM 217 N LEU A 108 -9.056 58.485 113.572 1.00 16.14 A N +ATOM 218 CA LEU A 108 -8.112 57.402 113.266 1.00 15.90 A C +ATOM 219 C LEU A 108 -6.822 57.491 114.087 1.00 16.77 A C +ATOM 220 O LEU A 108 -6.341 56.481 114.584 1.00 18.31 A O +ATOM 221 CB LEU A 108 -7.733 57.417 111.771 1.00 11.22 A C +ATOM 222 CG LEU A 108 -8.799 57.168 110.695 1.00 9.02 A C +ATOM 223 CD1 LEU A 108 -8.209 57.379 109.354 1.00 7.85 A C +ATOM 224 CD2 LEU A 108 -9.223 55.730 110.633 1.00 8.08 A C +ATOM 225 N SER A 109 -6.272 58.680 114.362 1.00 17.96 A N +ATOM 226 CA SER A 109 -5.043 58.857 115.127 1.00 16.96 A C +ATOM 227 C SER A 109 -5.177 58.334 116.531 1.00 18.29 A C +ATOM 228 O SER A 109 -4.149 58.195 117.189 1.00 19.73 A O +ATOM 229 CB SER A 109 -4.664 60.314 115.223 1.00 16.59 A C +ATOM 230 OG SER A 109 -4.516 60.870 113.911 1.00 15.32 A O +ATOM 231 N ALA A 110 -6.368 58.019 117.035 1.00 17.32 A N +ATOM 232 CA ALA A 110 -6.413 57.512 118.389 1.00 19.13 A C +ATOM 233 C ALA A 110 -6.307 55.987 118.348 1.00 19.95 A C +ATOM 234 O ALA A 110 -6.525 55.300 119.360 1.00 21.92 A O +ATOM 235 CB ALA A 110 -7.702 57.930 119.041 1.00 18.35 A C +ATOM 236 N GLY A 111 -6.025 55.422 117.174 1.00 19.35 A N +ATOM 237 CA GLY A 111 -5.882 54.008 117.024 1.00 18.88 A C +ATOM 238 C GLY A 111 -5.198 53.728 115.711 1.00 19.65 A C +ATOM 239 O GLY A 111 -5.685 52.902 114.938 1.00 20.99 A O +ATOM 240 N GLY A 112 -4.049 54.350 115.446 1.00 19.62 A N +ATOM 241 CA GLY A 112 -3.289 54.168 114.195 1.00 19.95 A C +ATOM 242 C GLY A 112 -2.146 55.177 114.173 1.00 19.62 A C +ATOM 243 O GLY A 112 -2.199 56.054 115.045 1.00 21.12 A O +ATOM 244 N ASP A 113 -1.122 55.133 113.291 1.00 18.56 A N +ATOM 245 CA ASP A 113 -0.036 56.098 113.300 1.00 17.48 A C +ATOM 246 C ASP A 113 -0.283 56.961 112.082 1.00 17.70 A C +ATOM 247 O ASP A 113 -0.119 56.550 110.903 1.00 15.45 A O +ATOM 248 CB ASP A 113 1.304 55.420 113.165 1.00 19.18 A C +ATOM 249 CG ASP A 113 1.530 54.251 114.102 1.00 20.70 A C +ATOM 250 OD1 ASP A 113 1.455 54.396 115.332 1.00 21.06 A O +ATOM 251 OD2 ASP A 113 1.804 53.172 113.579 1.00 21.26 A O1- +ATOM 252 N ILE A 114 -0.775 58.147 112.469 1.00 15.86 A N +ATOM 253 CA ILE A 114 -1.186 59.175 111.535 1.00 16.53 A C +ATOM 254 C ILE A 114 -0.382 60.433 111.731 1.00 16.97 A C +ATOM 255 O ILE A 114 -0.260 60.928 112.860 1.00 19.34 A O +ATOM 256 CB ILE A 114 -2.706 59.474 111.766 1.00 16.36 A C +ATOM 257 CG1 ILE A 114 -3.587 58.244 111.482 1.00 15.14 A C +ATOM 258 CG2 ILE A 114 -3.117 60.674 110.886 1.00 16.37 A C +ATOM 259 CD1 ILE A 114 -3.676 57.676 110.048 1.00 14.97 A C +ATOM 260 N TRP A 115 0.134 60.970 110.644 1.00 15.67 A N +ATOM 261 CA TRP A 115 0.914 62.200 110.570 1.00 14.71 A C +ATOM 262 C TRP A 115 0.276 63.397 111.247 1.00 13.88 A C +ATOM 263 O TRP A 115 -0.944 63.502 111.228 1.00 13.02 A O +ATOM 264 CB TRP A 115 1.121 62.534 109.107 1.00 15.03 A C +ATOM 265 CG TRP A 115 2.345 61.870 108.498 1.00 15.51 A C +ATOM 266 CD1 TRP A 115 2.317 60.718 107.751 1.00 16.19 A C +ATOM 267 CD2 TRP A 115 3.596 62.420 108.545 1.00 15.63 A C +ATOM 268 CE2 TRP A 115 4.329 61.556 107.737 1.00 16.40 A C +ATOM 269 CE3 TRP A 115 4.156 63.525 109.125 1.00 13.49 A C +ATOM 270 NE1 TRP A 115 3.537 60.547 107.287 1.00 16.77 A N +ATOM 271 CZ2 TRP A 115 5.664 61.814 107.516 1.00 14.32 A C +ATOM 272 CZ3 TRP A 115 5.484 63.770 108.889 1.00 12.90 A C +ATOM 273 CH2 TRP A 115 6.226 62.926 108.102 1.00 13.55 A C +ATOM 274 N VAL A 116 0.972 64.325 111.900 1.00 14.50 A N +ATOM 275 CA VAL A 116 0.337 65.502 112.520 1.00 12.30 A C +ATOM 276 C VAL A 116 0.398 66.483 111.369 1.00 13.48 A C +ATOM 277 O VAL A 116 1.487 66.503 110.774 1.00 13.24 A O +ATOM 278 CB VAL A 116 1.172 65.993 113.711 1.00 11.22 A C +ATOM 279 CG1 VAL A 116 0.807 67.400 114.064 1.00 9.25 A C +ATOM 280 CG2 VAL A 116 0.881 65.122 114.934 1.00 10.53 A C +ATOM 281 N THR A 117 -0.647 67.237 110.967 1.00 12.95 A N +ATOM 282 CA THR A 117 -0.505 68.145 109.848 1.00 13.40 A C +ATOM 283 C THR A 117 -1.283 69.443 109.996 1.00 14.31 A C +ATOM 284 O THR A 117 -1.888 69.654 111.033 1.00 17.59 A O +ATOM 285 CB THR A 117 -0.996 67.480 108.545 1.00 13.15 A C +ATOM 286 CG2 THR A 117 -0.272 66.215 108.219 1.00 12.87 A C +ATOM 287 OG1 THR A 117 -2.372 67.191 108.702 1.00 11.43 A O +ATOM 288 N ARG A 118 -1.189 70.417 109.101 1.00 13.61 A N +ATOM 289 CA ARG A 118 -2.038 71.587 109.155 1.00 13.65 A C +ATOM 290 C ARG A 118 -1.912 72.161 107.748 1.00 12.77 A C +ATOM 291 O ARG A 118 -1.200 71.629 106.898 1.00 13.08 A O +ATOM 292 CB ARG A 118 -1.653 72.648 110.184 1.00 13.85 A C +ATOM 293 CG ARG A 118 -2.752 72.671 111.263 1.00 15.04 A C +ATOM 294 CD ARG A 118 -3.007 74.058 111.843 1.00 16.17 A C +ATOM 295 NE ARG A 118 -3.766 74.868 110.901 1.00 16.09 A N +ATOM 296 CZ ARG A 118 -3.626 76.176 110.738 1.00 17.37 A C +ATOM 297 NH1 ARG A 118 -2.763 76.835 111.465 1.00 18.87 A N1+ +ATOM 298 NH2 ARG A 118 -4.338 76.843 109.841 1.00 18.09 A N +ATOM 299 N GLU A 119 -2.609 73.226 107.410 1.00 12.01 A N +ATOM 300 CA GLU A 119 -2.605 73.830 106.089 1.00 10.32 A C +ATOM 301 C GLU A 119 -2.802 72.773 105.012 1.00 12.76 A C +ATOM 302 O GLU A 119 -1.935 72.660 104.136 1.00 13.57 A O +ATOM 303 CB GLU A 119 -1.286 74.588 105.826 1.00 10.08 A C +ATOM 304 CG GLU A 119 -1.055 75.790 106.730 1.00 9.36 A C +ATOM 305 CD GLU A 119 -0.477 75.397 108.076 1.00 10.88 A C +ATOM 306 OE1 GLU A 119 0.360 74.498 108.106 1.00 10.70 A O +ATOM 307 OE2 GLU A 119 -0.848 75.967 109.097 1.00 9.81 A O1- +ATOM 308 N PRO A 120 -3.878 71.955 105.020 1.00 12.47 A N +ATOM 309 CA PRO A 120 -4.161 70.982 103.971 1.00 13.31 A C +ATOM 310 C PRO A 120 -4.686 71.609 102.711 1.00 13.17 A C +ATOM 311 O PRO A 120 -5.041 72.803 102.688 1.00 16.41 A O +ATOM 312 CB PRO A 120 -5.173 70.069 104.541 1.00 13.14 A C +ATOM 313 CG PRO A 120 -6.051 71.060 105.241 1.00 14.29 A C +ATOM 314 CD PRO A 120 -5.093 72.157 105.783 1.00 13.11 A C +ATOM 315 N TYR A 121 -4.730 70.864 101.624 1.00 12.59 A N +ATOM 316 CA TYR A 121 -5.324 71.392 100.390 1.00 9.74 A C +ATOM 317 C TYR A 121 -5.496 70.250 99.456 1.00 9.94 A C +ATOM 318 O TYR A 121 -5.040 69.148 99.783 1.00 9.78 A O +ATOM 319 CB TYR A 121 -4.517 72.496 99.691 1.00 8.67 A C +ATOM 320 CG TYR A 121 -3.067 72.410 99.264 1.00 8.07 A C +ATOM 321 CD1 TYR A 121 -2.076 72.622 100.185 1.00 8.10 A C +ATOM 322 CD2 TYR A 121 -2.787 72.111 97.946 1.00 8.39 A C +ATOM 323 CE1 TYR A 121 -0.784 72.528 99.805 1.00 6.36 A C +ATOM 324 CE2 TYR A 121 -1.494 72.021 97.562 1.00 7.43 A C +ATOM 325 CZ TYR A 121 -0.518 72.212 98.504 1.00 7.06 A C +ATOM 326 OH TYR A 121 0.777 72.011 98.113 1.00 6.02 A O +ATOM 327 N VAL A 122 -6.260 70.347 98.387 1.00 8.19 A N +ATOM 328 CA VAL A 122 -6.304 69.180 97.534 1.00 10.53 A C +ATOM 329 C VAL A 122 -6.114 69.802 96.166 1.00 9.92 A C +ATOM 330 O VAL A 122 -6.437 70.978 95.975 1.00 8.88 A O +ATOM 331 CB VAL A 122 -7.666 68.319 97.688 1.00 9.85 A C +ATOM 332 CG1 VAL A 122 -8.457 68.785 98.841 1.00 9.13 A C +ATOM 333 CG2 VAL A 122 -8.503 68.325 96.437 1.00 10.04 A C +ATOM 334 N SER A 123 -5.433 69.078 95.283 1.00 11.36 A N +ATOM 335 CA SER A 123 -5.156 69.553 93.942 1.00 13.54 A C +ATOM 336 C SER A 123 -5.389 68.263 93.165 1.00 16.19 A C +ATOM 337 O SER A 123 -5.308 67.096 93.662 1.00 15.86 A O +ATOM 338 CB SER A 123 -3.722 70.045 93.714 1.00 12.68 A C +ATOM 339 OG SER A 123 -3.783 70.616 92.391 1.00 11.94 A O +ATOM 340 N CYS A 124 -5.533 68.493 91.865 1.00 17.15 A N +ATOM 341 CA CYS A 124 -5.976 67.401 91.055 1.00 18.72 A C +ATOM 342 C CYS A 124 -5.338 67.268 89.688 1.00 19.95 A C +ATOM 343 O CYS A 124 -5.320 68.232 88.912 1.00 20.48 A O +ATOM 344 CB CYS A 124 -7.411 67.823 91.253 1.00 20.37 A C +ATOM 345 SG CYS A 124 -8.782 66.723 91.130 1.00 22.33 A S +ATOM 346 N ASP A 125 -4.744 66.131 89.343 1.00 20.76 A N +ATOM 347 CA ASP A 125 -4.129 66.042 88.037 1.00 22.74 A C +ATOM 348 C ASP A 125 -5.230 65.716 87.059 1.00 22.49 A C +ATOM 349 O ASP A 125 -6.362 65.622 87.510 1.00 23.67 A O +ATOM 350 CB ASP A 125 -2.997 64.977 88.067 1.00 25.84 A C +ATOM 351 CG ASP A 125 -3.290 63.482 88.064 1.00 28.43 A C +ATOM 352 OD1 ASP A 125 -4.123 62.990 87.309 1.00 28.36 A O +ATOM 353 OD2 ASP A 125 -2.626 62.777 88.809 1.00 30.05 A O1- +ATOM 354 N PRO A 126 -5.079 65.484 85.766 1.00 21.93 A N +ATOM 355 CA PRO A 126 -6.217 65.232 84.901 1.00 22.42 A C +ATOM 356 C PRO A 126 -6.991 63.927 85.058 1.00 23.29 A C +ATOM 357 O PRO A 126 -8.076 63.806 84.510 1.00 24.30 A O +ATOM 358 CB PRO A 126 -5.663 65.408 83.501 1.00 21.92 A C +ATOM 359 CG PRO A 126 -4.193 65.226 83.627 1.00 23.19 A C +ATOM 360 CD PRO A 126 -3.901 65.814 84.996 1.00 22.45 A C +ATOM 361 N VAL A 127 -6.521 62.892 85.749 1.00 24.02 A N +ATOM 362 CA VAL A 127 -7.263 61.647 85.892 1.00 24.73 A C +ATOM 363 C VAL A 127 -7.742 61.511 87.315 1.00 24.19 A C +ATOM 364 O VAL A 127 -8.847 61.032 87.541 1.00 24.94 A O +ATOM 365 CB VAL A 127 -6.390 60.391 85.535 1.00 25.90 A C +ATOM 366 CG1 VAL A 127 -5.760 60.613 84.167 1.00 26.49 A C +ATOM 367 CG2 VAL A 127 -5.257 60.163 86.498 1.00 26.51 A C +ATOM 368 N LYS A 128 -6.976 61.960 88.314 1.00 23.63 A N +ATOM 369 CA LYS A 128 -7.408 61.812 89.687 1.00 22.71 A C +ATOM 370 C LYS A 128 -6.927 62.905 90.615 1.00 21.85 A C +ATOM 371 O LYS A 128 -5.967 63.622 90.328 1.00 24.11 A O +ATOM 372 CB LYS A 128 -6.945 60.476 90.198 1.00 24.49 A C +ATOM 373 CG LYS A 128 -5.451 60.352 90.304 1.00 25.84 A C +ATOM 374 CD LYS A 128 -5.149 59.093 91.095 1.00 28.81 A C +ATOM 375 CE LYS A 128 -5.323 57.832 90.245 1.00 30.00 A C +ATOM 376 NZ LYS A 128 -5.038 56.647 91.039 1.00 31.01 A N1+ +ATOM 377 N CYS A 129 -7.575 62.973 91.759 1.00 18.44 A N +ATOM 378 CA CYS A 129 -7.357 63.944 92.780 1.00 17.73 A C +ATOM 379 C CYS A 129 -6.498 63.528 93.960 1.00 15.07 A C +ATOM 380 O CYS A 129 -6.743 62.460 94.523 1.00 14.13 A O +ATOM 381 CB CYS A 129 -8.719 64.351 93.278 1.00 18.64 A C +ATOM 382 SG CYS A 129 -9.534 65.862 92.771 1.00 21.55 A S +ATOM 383 N TYR A 130 -5.612 64.417 94.425 1.00 12.53 A N +ATOM 384 CA TYR A 130 -4.741 64.142 95.544 1.00 10.18 A C +ATOM 385 C TYR A 130 -4.928 65.146 96.641 1.00 9.10 A C +ATOM 386 O TYR A 130 -5.167 66.304 96.338 1.00 10.54 A O +ATOM 387 CB TYR A 130 -3.297 64.234 95.165 1.00 8.93 A C +ATOM 388 CG TYR A 130 -2.944 63.280 94.061 1.00 9.36 A C +ATOM 389 CD1 TYR A 130 -3.276 63.662 92.790 1.00 8.65 A C +ATOM 390 CD2 TYR A 130 -2.347 62.056 94.328 1.00 9.28 A C +ATOM 391 CE1 TYR A 130 -3.024 62.814 91.767 1.00 8.48 A C +ATOM 392 CE2 TYR A 130 -2.094 61.195 93.280 1.00 9.41 A C +ATOM 393 CZ TYR A 130 -2.451 61.595 92.009 1.00 10.24 A C +ATOM 394 OH TYR A 130 -2.266 60.751 90.923 1.00 11.90 A O +ATOM 395 N GLN A 131 -4.818 64.730 97.895 1.00 8.13 A N +ATOM 396 CA GLN A 131 -4.908 65.648 98.973 1.00 7.14 A C +ATOM 397 C GLN A 131 -3.447 65.886 99.434 1.00 10.45 A C +ATOM 398 O GLN A 131 -2.587 64.972 99.295 1.00 10.86 A O +ATOM 399 CB GLN A 131 -5.705 65.056 100.092 1.00 7.66 A C +ATOM 400 CG GLN A 131 -5.206 63.844 100.769 1.00 4.18 A C +ATOM 401 CD GLN A 131 -6.091 63.409 101.920 1.00 6.66 A C +ATOM 402 NE2 GLN A 131 -7.395 63.245 101.778 1.00 2.78 A N +ATOM 403 OE1 GLN A 131 -5.626 63.173 103.028 1.00 6.28 A O +ATOM 404 N PHE A 132 -3.139 67.114 99.954 1.00 8.59 A N +ATOM 405 CA PHE A 132 -1.822 67.503 100.434 1.00 7.17 A C +ATOM 406 C PHE A 132 -1.942 68.147 101.806 1.00 8.49 A C +ATOM 407 O PHE A 132 -3.025 68.551 102.237 1.00 9.35 A O +ATOM 408 CB PHE A 132 -1.146 68.570 99.578 1.00 6.12 A C +ATOM 409 CG PHE A 132 -1.007 68.262 98.085 1.00 4.94 A C +ATOM 410 CD1 PHE A 132 -2.113 68.276 97.308 1.00 5.24 A C +ATOM 411 CD2 PHE A 132 0.223 67.964 97.555 1.00 5.14 A C +ATOM 412 CE1 PHE A 132 -2.016 68.007 95.956 1.00 5.75 A C +ATOM 413 CE2 PHE A 132 0.328 67.700 96.207 1.00 5.74 A C +ATOM 414 CZ PHE A 132 -0.811 67.716 95.410 1.00 6.32 A C +ATOM 415 N ALA A 133 -0.821 68.297 102.476 1.00 9.12 A N +ATOM 416 CA ALA A 133 -0.763 68.965 103.776 1.00 10.36 A C +ATOM 417 C ALA A 133 0.683 69.121 104.215 1.00 11.99 A C +ATOM 418 O ALA A 133 1.569 68.383 103.758 1.00 15.17 A O +ATOM 419 CB ALA A 133 -1.451 68.191 104.858 1.00 8.92 A C +ATOM 420 N LEU A 134 0.965 70.049 105.124 1.00 10.47 A N +ATOM 421 CA LEU A 134 2.298 70.279 105.606 1.00 8.80 A C +ATOM 422 C LEU A 134 2.361 69.419 106.852 1.00 10.97 A C +ATOM 423 O LEU A 134 1.550 69.692 107.740 1.00 10.17 A O +ATOM 424 CB LEU A 134 2.426 71.788 105.922 1.00 7.68 A C +ATOM 425 CG LEU A 134 3.135 72.723 104.919 1.00 8.94 A C +ATOM 426 CD1 LEU A 134 2.885 72.385 103.462 1.00 8.48 A C +ATOM 427 CD2 LEU A 134 2.573 74.074 105.115 1.00 7.57 A C +ATOM 428 N GLY A 135 3.220 68.396 106.975 1.00 10.22 A N +ATOM 429 CA GLY A 135 3.234 67.628 108.217 1.00 13.15 A C +ATOM 430 C GLY A 135 4.108 68.237 109.283 1.00 13.05 A C +ATOM 431 O GLY A 135 4.860 69.151 109.013 1.00 15.98 A O +ATOM 432 N GLN A 136 4.048 67.865 110.540 1.00 13.67 A N +ATOM 433 CA GLN A 136 4.938 68.440 111.513 1.00 13.81 A C +ATOM 434 C GLN A 136 6.059 67.453 111.802 1.00 14.24 A C +ATOM 435 O GLN A 136 6.552 67.412 112.934 1.00 13.33 A O +ATOM 436 CB GLN A 136 4.192 68.745 112.801 1.00 15.64 A C +ATOM 437 CG GLN A 136 3.246 69.917 112.738 1.00 17.48 A C +ATOM 438 CD GLN A 136 3.870 71.280 112.453 1.00 19.07 A C +ATOM 439 NE2 GLN A 136 3.000 72.287 112.316 1.00 19.81 A N +ATOM 440 OE1 GLN A 136 5.088 71.457 112.352 1.00 18.72 A O +ATOM 441 N GLY A 137 6.448 66.609 110.834 1.00 13.47 A N +ATOM 442 CA GLY A 137 7.507 65.612 111.013 1.00 15.00 A C +ATOM 443 C GLY A 137 7.326 64.644 112.176 1.00 16.66 A C +ATOM 444 O GLY A 137 8.303 64.227 112.819 1.00 16.74 A O +ATOM 445 N THR A 138 6.084 64.268 112.471 1.00 16.66 A N +ATOM 446 CA THR A 138 5.766 63.372 113.562 1.00 16.40 A C +ATOM 447 C THR A 138 4.348 62.834 113.367 1.00 17.30 A C +ATOM 448 O THR A 138 3.603 63.279 112.477 1.00 17.05 A O +ATOM 449 CB THR A 138 5.901 64.172 114.863 1.00 16.28 A C +ATOM 450 CG2 THR A 138 4.840 65.230 115.046 1.00 15.67 A C +ATOM 451 OG1 THR A 138 5.806 63.235 115.920 1.00 17.96 A O +ATOM 452 N THR A 139 3.979 61.803 114.108 1.00 18.84 A N +ATOM 453 CA THR A 139 2.653 61.212 114.038 1.00 17.95 A C +ATOM 454 C THR A 139 2.017 61.724 115.327 1.00 20.91 A C +ATOM 455 O THR A 139 2.733 62.258 116.199 1.00 21.57 A O +ATOM 456 CB THR A 139 2.739 59.669 114.000 1.00 16.48 A C +ATOM 457 CG2 THR A 139 3.243 59.217 112.667 1.00 13.54 A C +ATOM 458 OG1 THR A 139 3.586 59.212 115.047 1.00 16.31 A O +ATOM 459 N LEU A 140 0.697 61.577 115.518 1.00 20.50 A N +ATOM 460 CA LEU A 140 0.070 62.114 116.706 1.00 21.75 A C +ATOM 461 C LEU A 140 0.373 61.358 117.973 1.00 23.58 A C +ATOM 462 O LEU A 140 0.665 61.977 119.007 1.00 24.36 A O +ATOM 463 CB LEU A 140 -1.412 62.173 116.381 1.00 21.31 A C +ATOM 464 CG LEU A 140 -2.324 63.102 117.136 1.00 21.60 A C +ATOM 465 CD1 LEU A 140 -3.369 63.592 116.151 1.00 20.46 A C +ATOM 466 CD2 LEU A 140 -2.889 62.423 118.378 1.00 20.94 A C +ATOM 467 N ASP A 141 0.335 60.016 117.954 1.00 25.56 A N +ATOM 468 CA ASP A 141 0.615 59.289 119.187 1.00 27.09 A C +ATOM 469 C ASP A 141 2.109 59.053 119.078 1.00 27.72 A C +ATOM 470 O ASP A 141 2.564 58.025 118.570 1.00 28.03 A O +ATOM 471 CB ASP A 141 -0.168 58.001 119.181 1.00 27.70 A C +ATOM 472 CG ASP A 141 -0.321 57.352 120.547 1.00 28.74 A C +ATOM 473 OD1 ASP A 141 0.220 57.813 121.546 1.00 29.54 A O +ATOM 474 OD2 ASP A 141 -1.022 56.355 120.618 1.00 30.58 A O1- +ATOM 475 N ASN A 142 2.838 60.110 119.431 1.00 27.55 A N +ATOM 476 CA ASN A 142 4.283 60.142 119.368 1.00 26.85 A C +ATOM 477 C ASN A 142 4.698 61.291 120.283 1.00 27.56 A C +ATOM 478 O ASN A 142 4.188 62.381 120.077 1.00 28.67 A O +ATOM 479 CB ASN A 142 4.675 60.412 117.927 1.00 26.88 A C +ATOM 480 CG ASN A 142 6.163 60.492 117.660 1.00 26.85 A C +ATOM 481 ND2 ASN A 142 7.085 60.638 118.588 1.00 26.21 A N +ATOM 482 OD1 ASN A 142 6.617 60.472 116.530 1.00 26.03 A O +ATOM 483 N LYS A 143 5.627 61.239 121.258 1.00 27.24 A N +ATOM 484 CA LYS A 143 5.921 62.420 122.087 1.00 26.10 A C +ATOM 485 C LYS A 143 6.377 63.678 121.364 1.00 25.88 A C +ATOM 486 O LYS A 143 6.240 64.785 121.876 1.00 25.22 A O +ATOM 487 CB LYS A 143 6.957 62.094 123.123 1.00 26.55 A C +ATOM 488 CG LYS A 143 6.467 61.048 124.107 1.00 27.92 A C +ATOM 489 CD LYS A 143 6.993 61.459 125.456 1.00 29.28 A C +ATOM 490 CE LYS A 143 6.697 60.444 126.547 1.00 30.33 A C +ATOM 491 NZ LYS A 143 7.736 59.429 126.607 1.00 31.30 A N1+ +ATOM 492 N HIS A 144 6.803 63.550 120.107 1.00 24.80 A N +ATOM 493 CA HIS A 144 7.251 64.697 119.352 1.00 25.73 A C +ATOM 494 C HIS A 144 6.068 65.515 118.874 1.00 26.03 A C +ATOM 495 O HIS A 144 6.291 66.480 118.154 1.00 27.10 A O +ATOM 496 CB HIS A 144 8.044 64.315 118.089 1.00 25.88 A C +ATOM 497 CG HIS A 144 9.312 63.530 118.331 1.00 26.35 A C +ATOM 498 CD2 HIS A 144 10.440 64.030 118.937 1.00 25.80 A C +ATOM 499 ND1 HIS A 144 9.513 62.241 118.068 1.00 26.87 A N +ATOM 500 CE1 HIS A 144 10.711 61.950 118.513 1.00 27.09 A C +ATOM 501 NE2 HIS A 144 11.257 63.026 119.033 1.00 26.17 A N +ATOM 502 N SER A 145 4.812 65.186 119.118 1.00 26.38 A N +ATOM 503 CA SER A 145 3.715 66.004 118.651 1.00 27.40 A C +ATOM 504 C SER A 145 3.467 67.153 119.617 1.00 28.60 A C +ATOM 505 O SER A 145 2.694 68.037 119.279 1.00 27.70 A O +ATOM 506 CB SER A 145 2.467 65.153 118.542 1.00 26.80 A C +ATOM 507 OG SER A 145 2.251 64.613 119.841 1.00 28.82 A O +ATOM 508 N ASN A 146 4.066 67.161 120.816 1.00 32.26 A N +ATOM 509 CA ASN A 146 3.905 68.199 121.829 1.00 35.40 A C +ATOM 510 C ASN A 146 4.347 69.504 121.233 1.00 34.12 A C +ATOM 511 O ASN A 146 5.386 69.557 120.598 1.00 33.29 A O +ATOM 512 CB ASN A 146 4.769 67.960 123.071 1.00 40.68 A C +ATOM 513 CG ASN A 146 4.437 68.832 124.288 1.00 46.36 A C +ATOM 514 ND2 ASN A 146 4.841 68.421 125.508 1.00 52.87 A N +ATOM 515 OD1 ASN A 146 3.771 69.861 124.152 1.00 46.08 A O +ATOM 516 N ASP A 147 3.513 70.526 121.368 1.00 33.21 A N +ATOM 517 CA ASP A 147 3.777 71.853 120.871 1.00 32.29 A C +ATOM 518 C ASP A 147 3.890 72.013 119.370 1.00 30.46 A C +ATOM 519 O ASP A 147 4.697 72.797 118.853 1.00 30.89 A O +ATOM 520 CB ASP A 147 5.036 72.352 121.567 1.00 35.09 A C +ATOM 521 CG ASP A 147 5.186 73.843 121.836 1.00 37.47 A C +ATOM 522 OD1 ASP A 147 4.302 74.650 121.528 1.00 38.72 A O +ATOM 523 OD2 ASP A 147 6.236 74.193 122.372 1.00 39.34 A O1- +ATOM 524 N THR A 148 3.032 71.345 118.629 1.00 28.89 A N +ATOM 525 CA THR A 148 3.028 71.453 117.175 1.00 28.49 A C +ATOM 526 C THR A 148 2.208 72.648 116.648 1.00 28.32 A C +ATOM 527 O THR A 148 1.869 72.755 115.452 1.00 29.28 A O +ATOM 528 CB THR A 148 2.519 70.100 116.615 1.00 28.04 A C +ATOM 529 CG2 THR A 148 3.656 69.124 116.463 1.00 27.65 A C +ATOM 530 OG1 THR A 148 1.536 69.565 117.505 1.00 27.70 A O +ATOM 531 N VAL A 149 1.814 73.538 117.581 1.00 27.18 A N +ATOM 532 CA VAL A 149 1.068 74.764 117.302 1.00 26.41 A C +ATOM 533 C VAL A 149 1.903 75.626 116.373 1.00 26.49 A C +ATOM 534 O VAL A 149 1.374 76.354 115.540 1.00 28.25 A O +ATOM 535 CB VAL A 149 0.837 75.771 118.470 1.00 26.56 A C +ATOM 536 CG1 VAL A 149 -0.602 76.175 118.415 1.00 26.05 A C +ATOM 537 CG2 VAL A 149 1.231 75.226 119.840 1.00 27.08 A C +ATOM 538 N HIS A 150 3.231 75.562 116.469 1.00 26.11 A N +ATOM 539 CA HIS A 150 4.110 76.399 115.671 1.00 24.88 A C +ATOM 540 C HIS A 150 4.049 76.103 114.204 1.00 24.12 A C +ATOM 541 O HIS A 150 3.952 74.974 113.746 1.00 22.85 A O +ATOM 542 CB HIS A 150 5.511 76.248 116.198 1.00 25.97 A C +ATOM 543 CG HIS A 150 5.578 76.577 117.693 1.00 27.08 A C +ATOM 544 CD2 HIS A 150 5.930 75.648 118.649 1.00 27.83 A C +ATOM 545 ND1 HIS A 150 5.311 77.717 118.336 1.00 27.34 A N +ATOM 546 CE1 HIS A 150 5.489 77.500 119.621 1.00 27.43 A C +ATOM 547 NE2 HIS A 150 5.860 76.259 119.798 1.00 27.22 A N +ATOM 548 N ASP A 151 3.985 77.184 113.475 1.00 24.47 A N +ATOM 549 CA ASP A 151 3.883 77.041 112.048 1.00 25.97 A C +ATOM 550 C ASP A 151 5.130 76.712 111.319 1.00 24.52 A C +ATOM 551 O ASP A 151 5.054 76.179 110.226 1.00 24.83 A O +ATOM 552 CB ASP A 151 3.337 78.304 111.396 1.00 28.10 A C +ATOM 553 CG ASP A 151 1.975 78.770 111.907 1.00 30.62 A C +ATOM 554 OD1 ASP A 151 1.096 77.939 112.148 1.00 31.34 A O +ATOM 555 OD2 ASP A 151 1.811 79.981 112.071 1.00 31.51 A O1- +ATOM 556 N ARG A 152 6.301 77.013 111.837 1.00 23.86 A N +ATOM 557 CA ARG A 152 7.487 76.742 111.048 1.00 23.31 A C +ATOM 558 C ARG A 152 8.590 76.042 111.811 1.00 22.45 A C +ATOM 559 O ARG A 152 9.026 76.577 112.819 1.00 24.27 A O +ATOM 560 CB ARG A 152 8.020 78.053 110.513 1.00 23.02 A C +ATOM 561 CG ARG A 152 7.135 78.898 109.597 1.00 23.67 A C +ATOM 562 CD ARG A 152 7.615 80.356 109.470 1.00 23.52 A C +ATOM 563 NE ARG A 152 6.738 81.244 110.222 1.00 23.75 A N +ATOM 564 CZ ARG A 152 7.089 81.794 111.379 1.00 23.45 A C +ATOM 565 NH1 ARG A 152 8.259 81.615 111.959 1.00 23.42 A N1+ +ATOM 566 NH2 ARG A 152 6.237 82.578 111.987 1.00 25.18 A N +ATOM 567 N ILE A 153 9.012 74.844 111.445 1.00 19.56 A N +ATOM 568 CA ILE A 153 10.105 74.159 112.090 1.00 17.65 A C +ATOM 569 C ILE A 153 10.851 73.508 110.923 1.00 18.68 A C +ATOM 570 O ILE A 153 10.217 73.365 109.865 1.00 20.36 A O +ATOM 571 CB ILE A 153 9.681 73.046 113.087 1.00 16.20 A C +ATOM 572 CG1 ILE A 153 8.604 72.170 112.557 1.00 14.04 A C +ATOM 573 CG2 ILE A 153 9.256 73.729 114.374 1.00 15.27 A C +ATOM 574 CD1 ILE A 153 8.531 70.937 113.417 1.00 13.01 A C +ATOM 575 N PRO A 154 12.134 73.069 110.911 1.00 18.72 A N +ATOM 576 CA PRO A 154 12.777 72.476 109.714 1.00 18.18 A C +ATOM 577 C PRO A 154 12.234 71.108 109.269 1.00 18.17 A C +ATOM 578 O PRO A 154 12.492 70.564 108.199 1.00 19.68 A O +ATOM 579 CB PRO A 154 14.212 72.369 110.070 1.00 17.99 A C +ATOM 580 CG PRO A 154 14.362 73.044 111.392 1.00 17.85 A C +ATOM 581 CD PRO A 154 13.021 72.967 112.067 1.00 17.25 A C +ATOM 582 N HIS A 155 11.464 70.493 110.144 1.00 16.80 A N +ATOM 583 CA HIS A 155 10.926 69.169 109.930 1.00 16.01 A C +ATOM 584 C HIS A 155 9.617 69.061 109.205 1.00 15.37 A C +ATOM 585 O HIS A 155 9.161 67.941 109.008 1.00 16.00 A O +ATOM 586 CB HIS A 155 10.850 68.547 111.305 1.00 16.24 A C +ATOM 587 CG HIS A 155 12.192 68.781 111.989 1.00 17.80 A C +ATOM 588 CD2 HIS A 155 12.376 69.068 113.319 1.00 18.45 A C +ATOM 589 ND1 HIS A 155 13.388 68.778 111.411 1.00 18.36 A N +ATOM 590 CE1 HIS A 155 14.293 69.038 112.325 1.00 19.63 A C +ATOM 591 NE2 HIS A 155 13.667 69.212 113.472 1.00 19.14 A N +ATOM 592 N ARG A 156 9.017 70.187 108.802 1.00 13.16 A N +ATOM 593 CA ARG A 156 7.761 70.155 108.133 1.00 11.78 A C +ATOM 594 C ARG A 156 8.049 69.778 106.698 1.00 10.65 A C +ATOM 595 O ARG A 156 8.988 70.320 106.103 1.00 11.30 A O +ATOM 596 CB ARG A 156 7.077 71.538 108.173 1.00 11.33 A C +ATOM 597 CG ARG A 156 6.828 72.028 109.606 1.00 11.68 A C +ATOM 598 CD ARG A 156 5.679 72.999 109.650 1.00 13.02 A C +ATOM 599 NE ARG A 156 4.455 72.247 109.439 1.00 15.34 A N +ATOM 600 CZ ARG A 156 3.247 72.794 109.322 1.00 17.11 A C +ATOM 601 NH1 ARG A 156 3.018 74.107 109.405 1.00 18.53 A N1+ +ATOM 602 NH2 ARG A 156 2.218 71.992 109.130 1.00 18.37 A N +ATOM 603 N THR A 157 7.268 68.871 106.142 1.00 9.50 A N +ATOM 604 CA THR A 157 7.438 68.472 104.755 1.00 7.58 A C +ATOM 605 C THR A 157 6.059 68.422 104.110 1.00 7.03 A C +ATOM 606 O THR A 157 5.011 68.343 104.761 1.00 3.72 A O +ATOM 607 CB THR A 157 8.142 67.118 104.768 1.00 8.78 A C +ATOM 608 CG2 THR A 157 9.590 67.100 105.255 1.00 9.48 A C +ATOM 609 OG1 THR A 157 7.360 66.378 105.682 1.00 8.17 A O +ATOM 610 N LEU A 158 5.965 68.488 102.800 1.00 6.62 A N +ATOM 611 CA LEU A 158 4.690 68.447 102.132 1.00 6.25 A C +ATOM 612 C LEU A 158 4.346 66.984 101.926 1.00 8.67 A C +ATOM 613 O LEU A 158 5.141 66.249 101.304 1.00 12.02 A O +ATOM 614 CB LEU A 158 4.789 69.191 100.769 1.00 6.10 A C +ATOM 615 CG LEU A 158 3.540 69.165 99.887 1.00 7.34 A C +ATOM 616 CD1 LEU A 158 2.437 69.755 100.766 1.00 7.19 A C +ATOM 617 CD2 LEU A 158 3.721 69.865 98.529 1.00 5.03 A C +ATOM 618 N LEU A 159 3.186 66.547 102.411 1.00 7.37 A N +ATOM 619 CA LEU A 159 2.729 65.167 102.301 1.00 5.84 A C +ATOM 620 C LEU A 159 1.834 65.061 101.118 1.00 6.28 A C +ATOM 621 O LEU A 159 1.096 66.039 100.939 1.00 7.21 A O +ATOM 622 CB LEU A 159 1.956 64.848 103.520 1.00 2.53 A C +ATOM 623 CG LEU A 159 2.782 64.930 104.773 1.00 2.76 A C +ATOM 624 CD1 LEU A 159 1.928 64.624 105.964 1.00 2.00 A C +ATOM 625 CD2 LEU A 159 3.903 63.896 104.695 1.00 2.00 A C +ATOM 626 N MET A 160 1.755 63.985 100.339 1.00 6.20 A N +ATOM 627 CA MET A 160 0.836 63.940 99.200 1.00 8.01 A C +ATOM 628 C MET A 160 0.221 62.540 99.049 1.00 10.71 A C +ATOM 629 O MET A 160 0.958 61.546 99.076 1.00 12.25 A O +ATOM 630 CB MET A 160 1.566 64.249 97.977 1.00 5.35 A C +ATOM 631 CG MET A 160 0.624 64.332 96.824 1.00 5.63 A C +ATOM 632 SD MET A 160 1.794 64.327 95.469 1.00 5.07 A S +ATOM 633 CE MET A 160 0.862 64.411 93.963 1.00 3.33 A C +ATOM 634 N ASN A 161 -1.091 62.382 98.915 1.00 13.89 A N +ATOM 635 CA ASN A 161 -1.752 61.088 98.796 1.00 15.11 A C +ATOM 636 C ASN A 161 -2.966 61.186 97.913 1.00 15.90 A C +ATOM 637 O ASN A 161 -3.425 62.291 97.630 1.00 15.64 A O +ATOM 638 CB ASN A 161 -2.345 60.590 100.067 1.00 14.83 A C +ATOM 639 CG ASN A 161 -1.449 59.795 100.949 1.00 15.90 A C +ATOM 640 ND2 ASN A 161 -0.423 59.185 100.436 1.00 17.47 A N +ATOM 641 OD1 ASN A 161 -1.649 59.645 102.151 1.00 16.29 A O +ATOM 642 N GLU A 162 -3.524 60.075 97.432 1.00 17.72 A N +ATOM 643 CA GLU A 162 -4.750 60.127 96.650 1.00 16.64 A C +ATOM 644 C GLU A 162 -5.763 60.637 97.670 1.00 15.99 A C +ATOM 645 O GLU A 162 -5.662 60.400 98.903 1.00 14.86 A O +ATOM 646 CB GLU A 162 -5.255 58.814 96.233 1.00 18.58 A C +ATOM 647 CG GLU A 162 -4.399 58.316 95.119 1.00 24.37 A C +ATOM 648 CD GLU A 162 -5.090 57.265 94.266 1.00 27.36 A C +ATOM 649 OE1 GLU A 162 -6.233 57.473 93.811 1.00 29.87 A O +ATOM 650 OE2 GLU A 162 -4.462 56.236 94.047 1.00 29.17 A O1- +ATOM 651 N LEU A 163 -6.699 61.435 97.146 1.00 13.96 A N +ATOM 652 CA LEU A 163 -7.758 62.009 97.980 1.00 12.43 A C +ATOM 653 C LEU A 163 -8.536 60.868 98.635 1.00 11.06 A C +ATOM 654 O LEU A 163 -8.993 59.967 97.924 1.00 10.70 A O +ATOM 655 CB LEU A 163 -8.691 62.832 97.107 1.00 11.68 A C +ATOM 656 CG LEU A 163 -9.868 63.532 97.774 1.00 11.42 A C +ATOM 657 CD1 LEU A 163 -9.393 64.454 98.909 1.00 10.68 A C +ATOM 658 CD2 LEU A 163 -10.664 64.196 96.668 1.00 12.37 A C +ATOM 659 N GLY A 164 -8.563 60.910 99.963 1.00 9.23 A N +ATOM 660 CA GLY A 164 -9.281 59.922 100.675 1.00 7.36 A C +ATOM 661 C GLY A 164 -8.311 59.017 101.393 1.00 10.35 A C +ATOM 662 O GLY A 164 -8.702 58.476 102.459 1.00 9.56 A O +ATOM 663 N VAL A 165 -7.070 58.754 100.932 1.00 10.12 A N +ATOM 664 CA VAL A 165 -6.310 57.839 101.804 1.00 11.02 A C +ATOM 665 C VAL A 165 -5.631 58.749 102.818 1.00 10.80 A C +ATOM 666 O VAL A 165 -5.080 59.768 102.434 1.00 10.08 A O +ATOM 667 CB VAL A 165 -5.326 56.860 100.936 1.00 11.59 A C +ATOM 668 CG1 VAL A 165 -5.541 57.103 99.447 1.00 8.46 A C +ATOM 669 CG2 VAL A 165 -3.895 56.944 101.386 1.00 9.15 A C +ATOM 670 N PRO A 166 -5.790 58.537 104.132 1.00 11.37 A N +ATOM 671 CA PRO A 166 -5.215 59.411 105.148 1.00 11.80 A C +ATOM 672 C PRO A 166 -3.683 59.334 105.232 1.00 13.57 A C +ATOM 673 O PRO A 166 -3.065 58.370 104.763 1.00 16.23 A O +ATOM 674 CB PRO A 166 -5.921 58.975 106.402 1.00 11.04 A C +ATOM 675 CG PRO A 166 -6.153 57.501 106.189 1.00 10.96 A C +ATOM 676 CD PRO A 166 -6.506 57.415 104.714 1.00 10.84 A C +ATOM 677 N PHE A 167 -3.034 60.261 105.956 1.00 12.62 A N +ATOM 678 CA PHE A 167 -1.594 60.285 106.057 1.00 10.52 A C +ATOM 679 C PHE A 167 -1.014 59.373 107.095 1.00 11.45 A C +ATOM 680 O PHE A 167 -0.686 59.733 108.237 1.00 11.74 A O +ATOM 681 CB PHE A 167 -1.075 61.713 106.337 1.00 9.36 A C +ATOM 682 CG PHE A 167 -1.540 62.724 105.306 1.00 5.43 A C +ATOM 683 CD1 PHE A 167 -1.316 62.488 103.978 1.00 5.44 A C +ATOM 684 CD2 PHE A 167 -2.273 63.800 105.708 1.00 4.31 A C +ATOM 685 CE1 PHE A 167 -1.852 63.333 103.035 1.00 4.64 A C +ATOM 686 CE2 PHE A 167 -2.803 64.627 104.747 1.00 4.59 A C +ATOM 687 CZ PHE A 167 -2.596 64.401 103.420 1.00 2.94 A C +ATOM 688 N HIS A 168 -0.948 58.159 106.605 1.00 10.75 A N +ATOM 689 CA HIS A 168 -0.403 57.028 107.330 1.00 11.32 A C +ATOM 690 C HIS A 168 1.105 57.046 107.049 1.00 11.97 A C +ATOM 691 O HIS A 168 1.559 57.733 106.119 1.00 11.48 A O +ATOM 692 CB HIS A 168 -1.079 55.730 106.826 1.00 10.29 A C +ATOM 693 CG HIS A 168 -0.892 55.411 105.369 1.00 8.56 A C +ATOM 694 CD2 HIS A 168 -1.541 55.957 104.302 1.00 10.47 A C +ATOM 695 ND1 HIS A 168 -0.014 54.568 104.884 1.00 11.06 A N +ATOM 696 CE1 HIS A 168 -0.094 54.585 103.555 1.00 11.07 A C +ATOM 697 NE2 HIS A 168 -1.024 55.433 103.214 1.00 9.06 A N +ATOM 698 N LEU A 169 1.899 56.214 107.761 1.00 11.81 A N +ATOM 699 CA LEU A 169 3.368 56.175 107.624 1.00 10.15 A C +ATOM 700 C LEU A 169 3.969 55.816 106.299 1.00 9.51 A C +ATOM 701 O LEU A 169 5.179 55.958 106.123 1.00 10.10 A O +ATOM 702 CB LEU A 169 3.994 55.232 108.627 1.00 7.96 A C +ATOM 703 CG LEU A 169 4.011 55.716 110.060 1.00 8.34 A C +ATOM 704 CD1 LEU A 169 4.519 54.624 110.967 1.00 6.63 A C +ATOM 705 CD2 LEU A 169 4.959 56.873 110.191 1.00 8.00 A C +ATOM 706 N GLY A 170 3.140 55.457 105.342 1.00 9.85 A N +ATOM 707 CA GLY A 170 3.671 55.101 104.058 1.00 10.62 A C +ATOM 708 C GLY A 170 3.495 56.204 103.042 1.00 14.10 A C +ATOM 709 O GLY A 170 3.649 55.913 101.844 1.00 15.76 A O +ATOM 710 N THR A 171 3.086 57.407 103.483 1.00 14.56 A N +ATOM 711 CA THR A 171 2.850 58.598 102.687 1.00 14.16 A C +ATOM 712 C THR A 171 4.198 59.180 102.295 1.00 13.47 A C +ATOM 713 O THR A 171 5.177 59.173 103.054 1.00 9.68 A O +ATOM 714 CB THR A 171 2.096 59.647 103.543 1.00 15.78 A C +ATOM 715 CG2 THR A 171 1.802 60.915 102.785 1.00 14.20 A C +ATOM 716 OG1 THR A 171 0.926 58.994 104.044 1.00 16.16 A O +ATOM 717 N ARG A 172 4.205 59.819 101.148 1.00 14.33 A N +ATOM 718 CA ARG A 172 5.390 60.429 100.618 1.00 14.08 A C +ATOM 719 C ARG A 172 5.605 61.877 100.992 1.00 14.43 A C +ATOM 720 O ARG A 172 4.687 62.688 100.782 1.00 13.56 A O +ATOM 721 CB ARG A 172 5.276 60.308 99.164 1.00 15.29 A C +ATOM 722 CG ARG A 172 6.446 60.791 98.459 1.00 17.86 A C +ATOM 723 CD ARG A 172 6.193 60.534 96.993 1.00 18.79 A C +ATOM 724 NE ARG A 172 7.506 60.870 96.538 1.00 23.27 A N +ATOM 725 CZ ARG A 172 7.716 61.924 95.752 1.00 25.57 A C +ATOM 726 NH1 ARG A 172 6.648 62.604 95.290 1.00 25.16 A N1+ +ATOM 727 NH2 ARG A 172 9.013 62.215 95.419 1.00 25.61 A N +ATOM 728 N GLN A 173 6.789 62.249 101.484 1.00 11.62 A N +ATOM 729 CA GLN A 173 7.104 63.643 101.825 1.00 10.13 A C +ATOM 730 C GLN A 173 7.656 64.191 100.515 1.00 8.36 A C +ATOM 731 O GLN A 173 8.865 64.079 100.353 1.00 9.15 A O +ATOM 732 CB GLN A 173 8.155 63.643 102.921 1.00 10.24 A C +ATOM 733 CG GLN A 173 7.488 62.845 104.006 1.00 12.41 A C +ATOM 734 CD GLN A 173 8.294 62.732 105.256 1.00 12.48 A C +ATOM 735 NE2 GLN A 173 8.795 61.559 105.653 1.00 14.63 A N +ATOM 736 OE1 GLN A 173 8.460 63.740 105.910 1.00 12.92 A O +ATOM 737 N VAL A 174 6.880 64.901 99.714 1.00 5.87 A N +ATOM 738 CA VAL A 174 7.305 65.400 98.417 1.00 6.67 A C +ATOM 739 C VAL A 174 8.467 66.389 98.409 1.00 8.32 A C +ATOM 740 O VAL A 174 9.168 66.537 97.379 1.00 7.37 A O +ATOM 741 CB VAL A 174 6.078 66.011 97.735 1.00 6.71 A C +ATOM 742 CG1 VAL A 174 6.421 66.640 96.365 1.00 6.45 A C +ATOM 743 CG2 VAL A 174 5.082 64.932 97.447 1.00 4.43 A C +ATOM 744 N CYS A 175 8.658 67.160 99.496 1.00 8.34 A N +ATOM 745 CA CYS A 175 9.697 68.185 99.589 1.00 10.85 A C +ATOM 746 C CYS A 175 9.780 68.770 101.024 1.00 9.18 A C +ATOM 747 O CYS A 175 8.944 68.354 101.830 1.00 10.97 A O +ATOM 748 CB CYS A 175 9.407 69.308 98.631 1.00 12.83 A C +ATOM 749 SG CYS A 175 7.903 70.275 98.999 1.00 16.66 A S +ATOM 750 N ILE A 176 10.774 69.632 101.381 1.00 9.96 A N +ATOM 751 CA ILE A 176 10.853 70.268 102.730 1.00 8.08 A C +ATOM 752 C ILE A 176 10.024 71.575 102.620 1.00 10.66 A C +ATOM 753 O ILE A 176 10.240 72.366 101.685 1.00 12.47 A O +ATOM 754 CB ILE A 176 12.295 70.605 103.136 1.00 6.70 A C +ATOM 755 CG1 ILE A 176 13.189 69.388 103.140 1.00 5.37 A C +ATOM 756 CG2 ILE A 176 12.279 71.006 104.595 1.00 5.41 A C +ATOM 757 CD1 ILE A 176 14.640 69.575 103.543 1.00 3.15 A C +ATOM 758 N ALA A 177 9.088 71.886 103.530 1.00 10.22 A N +ATOM 759 CA ALA A 177 8.258 73.048 103.390 1.00 11.28 A C +ATOM 760 C ALA A 177 7.399 73.389 104.586 1.00 12.19 A C +ATOM 761 O ALA A 177 6.870 72.531 105.300 1.00 13.24 A O +ATOM 762 CB ALA A 177 7.287 72.872 102.261 1.00 9.61 A C +ATOM 763 N TRP A 178 7.343 74.663 104.934 1.00 13.26 A N +ATOM 764 CA TRP A 178 6.451 75.060 105.980 1.00 12.22 A C +ATOM 765 C TRP A 178 5.482 75.972 105.245 1.00 13.06 A C +ATOM 766 O TRP A 178 4.787 76.723 105.911 1.00 11.48 A O +ATOM 767 CB TRP A 178 7.120 75.816 107.090 1.00 11.68 A C +ATOM 768 CG TRP A 178 8.291 76.758 106.870 1.00 11.69 A C +ATOM 769 CD1 TRP A 178 9.480 76.421 107.444 1.00 11.90 A C +ATOM 770 CD2 TRP A 178 8.323 78.002 106.272 1.00 13.08 A C +ATOM 771 CE2 TRP A 178 9.622 78.397 106.534 1.00 12.71 A C +ATOM 772 CE3 TRP A 178 7.499 78.853 105.570 1.00 13.42 A C +ATOM 773 NE1 TRP A 178 10.257 77.451 107.226 1.00 13.45 A N +ATOM 774 CZ2 TRP A 178 10.143 79.603 106.142 1.00 12.26 A C +ATOM 775 CZ3 TRP A 178 8.016 80.066 105.161 1.00 12.75 A C +ATOM 776 CH2 TRP A 178 9.314 80.441 105.447 1.00 13.30 A C +ATOM 777 N SER A 179 5.469 76.047 103.896 1.00 11.97 A N +ATOM 778 CA SER A 179 4.530 76.834 103.148 1.00 13.57 A C +ATOM 779 C SER A 179 4.627 76.217 101.736 1.00 14.63 A C +ATOM 780 O SER A 179 5.746 75.937 101.303 1.00 14.94 A O +ATOM 781 CB SER A 179 4.912 78.325 103.165 1.00 14.33 A C +ATOM 782 OG SER A 179 3.842 79.099 102.603 1.00 13.42 A O +ATOM 783 N SER A 180 3.518 75.904 101.029 1.00 15.28 A N +ATOM 784 CA SER A 180 3.579 75.266 99.721 1.00 15.27 A C +ATOM 785 C SER A 180 2.494 75.631 98.743 1.00 15.54 A C +ATOM 786 O SER A 180 1.601 76.420 99.042 1.00 15.64 A O +ATOM 787 CB SER A 180 3.540 73.730 99.921 1.00 15.53 A C +ATOM 788 OG SER A 180 2.261 73.190 100.275 1.00 13.70 A O +ATOM 789 N SER A 181 2.567 75.056 97.547 1.00 14.77 A N +ATOM 790 CA SER A 181 1.569 75.276 96.520 1.00 14.65 A C +ATOM 791 C SER A 181 1.970 74.260 95.467 1.00 14.48 A C +ATOM 792 O SER A 181 3.151 74.170 95.118 1.00 13.79 A O +ATOM 793 CB SER A 181 1.650 76.652 95.906 1.00 13.30 A C +ATOM 794 OG SER A 181 0.749 76.703 94.793 1.00 15.61 A O +ATOM 795 N SER A 182 1.041 73.379 95.056 1.00 15.50 A N +ATOM 796 CA SER A 182 1.346 72.402 94.022 1.00 14.49 A C +ATOM 797 C SER A 182 0.317 72.518 92.928 1.00 15.19 A C +ATOM 798 O SER A 182 -0.775 73.022 93.210 1.00 17.12 A O +ATOM 799 CB SER A 182 1.243 71.014 94.582 1.00 14.54 A C +ATOM 800 OG SER A 182 1.923 70.906 95.855 1.00 15.09 A O +ATOM 801 N CYS A 183 0.574 72.181 91.683 1.00 14.97 A N +ATOM 802 CA CYS A 183 -0.448 72.255 90.654 1.00 13.75 A C +ATOM 803 C CYS A 183 -0.003 71.312 89.554 1.00 14.93 A C +ATOM 804 O CYS A 183 1.179 70.976 89.570 1.00 15.06 A O +ATOM 805 CB CYS A 183 -0.663 73.671 90.105 1.00 11.43 A C +ATOM 806 SG CYS A 183 0.668 74.753 89.514 1.00 5.54 A S +ATOM 807 N HIS A 184 -0.835 70.848 88.624 1.00 16.31 A N +ATOM 808 CA HIS A 184 -0.370 69.935 87.617 1.00 15.25 A C +ATOM 809 C HIS A 184 -0.640 70.634 86.314 1.00 16.83 A C +ATOM 810 O HIS A 184 -1.781 70.941 86.041 1.00 20.61 A O +ATOM 811 CB HIS A 184 -1.135 68.676 87.789 1.00 14.97 A C +ATOM 812 CG HIS A 184 -0.733 67.615 86.796 1.00 15.01 A C +ATOM 813 CD2 HIS A 184 -0.991 67.591 85.446 1.00 13.96 A C +ATOM 814 ND1 HIS A 184 -0.030 66.535 87.079 1.00 15.49 A N +ATOM 815 CE1 HIS A 184 0.150 65.868 85.945 1.00 15.77 A C +ATOM 816 NE2 HIS A 184 -0.437 66.517 84.960 1.00 14.48 A N +ATOM 817 N ASP A 185 0.301 70.755 85.435 1.00 15.57 A N +ATOM 818 CA ASP A 185 0.093 71.467 84.201 1.00 15.40 A C +ATOM 819 C ASP A 185 -0.359 70.676 83.000 1.00 16.15 A C +ATOM 820 O ASP A 185 -0.314 71.108 81.828 1.00 15.09 A O +ATOM 821 CB ASP A 185 1.403 72.176 83.950 1.00 16.78 A C +ATOM 822 CG ASP A 185 2.515 71.224 83.484 1.00 19.35 A C +ATOM 823 OD1 ASP A 185 2.506 70.039 83.829 1.00 19.37 A O +ATOM 824 OD2 ASP A 185 3.391 71.679 82.746 1.00 20.06 A O1- +ATOM 825 N GLY A 186 -0.868 69.485 83.240 1.00 17.07 A N +ATOM 826 CA GLY A 186 -1.259 68.624 82.124 1.00 19.67 A C +ATOM 827 C GLY A 186 -0.213 67.548 81.979 1.00 20.24 A C +ATOM 828 O GLY A 186 -0.570 66.384 82.099 1.00 21.47 A O +ATOM 829 N LYS A 187 1.069 67.897 81.878 1.00 19.94 A N +ATOM 830 CA LYS A 187 2.149 66.943 81.775 1.00 19.03 A C +ATOM 831 C LYS A 187 2.875 66.590 83.081 1.00 18.40 A C +ATOM 832 O LYS A 187 3.374 65.477 83.097 1.00 19.20 A O +ATOM 833 CB LYS A 187 3.164 67.448 80.806 1.00 21.47 A C +ATOM 834 CG LYS A 187 2.547 67.754 79.470 1.00 23.30 A C +ATOM 835 CD LYS A 187 3.674 68.205 78.569 1.00 25.91 A C +ATOM 836 CE LYS A 187 3.084 68.598 77.210 1.00 27.90 A C +ATOM 837 NZ LYS A 187 4.148 68.808 76.243 1.00 29.01 A N1+ +ATOM 838 N ALA A 188 2.950 67.315 84.223 1.00 14.82 A N +ATOM 839 CA ALA A 188 3.687 66.871 85.420 1.00 11.33 A C +ATOM 840 C ALA A 188 3.326 67.760 86.564 1.00 11.16 A C +ATOM 841 O ALA A 188 2.623 68.754 86.367 1.00 8.30 A O +ATOM 842 CB ALA A 188 5.158 67.008 85.298 1.00 13.53 A C +ATOM 843 N TRP A 189 3.650 67.353 87.778 1.00 11.57 A N +ATOM 844 CA TRP A 189 3.330 68.166 88.915 1.00 12.34 A C +ATOM 845 C TRP A 189 4.398 69.232 89.141 1.00 12.83 A C +ATOM 846 O TRP A 189 5.560 68.932 88.871 1.00 11.34 A O +ATOM 847 CB TRP A 189 3.241 67.293 90.144 1.00 14.21 A C +ATOM 848 CG TRP A 189 1.913 66.547 90.260 1.00 17.61 A C +ATOM 849 CD1 TRP A 189 1.718 65.280 89.755 1.00 18.69 A C +ATOM 850 CD2 TRP A 189 0.778 67.041 90.848 1.00 18.93 A C +ATOM 851 CE2 TRP A 189 -0.122 65.997 90.667 1.00 19.70 A C +ATOM 852 CE3 TRP A 189 0.396 68.201 91.481 1.00 20.72 A C +ATOM 853 NE1 TRP A 189 0.466 64.975 90.023 1.00 18.07 A N +ATOM 854 CZ2 TRP A 189 -1.418 66.112 91.123 1.00 21.08 A C +ATOM 855 CZ3 TRP A 189 -0.902 68.308 91.934 1.00 21.12 A C +ATOM 856 CH2 TRP A 189 -1.798 67.279 91.757 1.00 21.10 A C +ATOM 857 N LEU A 190 4.027 70.392 89.721 1.00 12.48 A N +ATOM 858 CA LEU A 190 4.875 71.529 90.089 1.00 12.76 A C +ATOM 859 C LEU A 190 4.699 71.668 91.601 1.00 13.58 A C +ATOM 860 O LEU A 190 3.569 71.615 92.094 1.00 15.43 A O +ATOM 861 CB LEU A 190 4.419 72.869 89.502 1.00 12.94 A C +ATOM 862 CG LEU A 190 5.247 74.112 89.967 1.00 14.98 A C +ATOM 863 CD1 LEU A 190 6.668 74.021 89.442 1.00 13.04 A C +ATOM 864 CD2 LEU A 190 4.560 75.407 89.504 1.00 15.04 A C +ATOM 865 N HIS A 191 5.722 71.744 92.413 1.00 13.19 A N +ATOM 866 CA HIS A 191 5.504 71.912 93.829 1.00 13.47 A C +ATOM 867 C HIS A 191 6.395 73.092 94.201 1.00 14.28 A C +ATOM 868 O HIS A 191 7.536 73.098 93.713 1.00 14.71 A O +ATOM 869 CB HIS A 191 5.962 70.718 94.626 1.00 14.42 A C +ATOM 870 CG HIS A 191 5.243 69.433 94.279 1.00 16.79 A C +ATOM 871 CD2 HIS A 191 5.815 68.435 93.523 1.00 16.21 A C +ATOM 872 ND1 HIS A 191 4.023 69.030 94.654 1.00 17.03 A N +ATOM 873 CE1 HIS A 191 3.843 67.819 94.161 1.00 17.51 A C +ATOM 874 NE2 HIS A 191 4.933 67.470 93.486 1.00 17.49 A N +ATOM 875 N VAL A 192 5.938 74.151 94.894 1.00 12.16 A N +ATOM 876 CA VAL A 192 6.849 75.196 95.255 1.00 12.14 A C +ATOM 877 C VAL A 192 6.837 74.925 96.756 1.00 12.06 A C +ATOM 878 O VAL A 192 5.778 74.852 97.404 1.00 11.24 A O +ATOM 879 CB VAL A 192 6.366 76.678 94.854 1.00 13.75 A C +ATOM 880 CG1 VAL A 192 5.401 76.614 93.671 1.00 11.51 A C +ATOM 881 CG2 VAL A 192 5.898 77.437 96.088 1.00 13.79 A C +ATOM 882 N CYS A 193 8.019 74.796 97.340 1.00 12.21 A N +ATOM 883 CA CYS A 193 8.100 74.448 98.749 1.00 12.85 A C +ATOM 884 C CYS A 193 8.946 75.479 99.418 1.00 11.76 A C +ATOM 885 O CYS A 193 9.994 75.825 98.856 1.00 12.39 A O +ATOM 886 CB CYS A 193 8.760 73.072 98.881 1.00 15.23 A C +ATOM 887 SG CYS A 193 8.073 71.827 97.740 1.00 17.48 A S +ATOM 888 N ILE A 194 8.587 75.979 100.595 1.00 10.82 A N +ATOM 889 CA ILE A 194 9.388 76.990 101.217 1.00 8.91 A C +ATOM 890 C ILE A 194 9.899 76.558 102.592 1.00 10.99 A C +ATOM 891 O ILE A 194 9.092 76.124 103.436 1.00 9.66 A O +ATOM 892 CB ILE A 194 8.478 78.276 101.232 1.00 9.36 A C +ATOM 893 CG1 ILE A 194 8.192 78.783 99.830 1.00 8.15 A C +ATOM 894 CG2 ILE A 194 9.192 79.392 101.961 1.00 11.10 A C +ATOM 895 CD1 ILE A 194 7.123 79.878 99.754 1.00 8.30 A C +ATOM 896 N THR A 195 11.211 76.554 102.833 1.00 9.74 A N +ATOM 897 CA THR A 195 11.724 76.202 104.157 1.00 11.88 A C +ATOM 898 C THR A 195 12.842 77.203 104.368 1.00 13.25 A C +ATOM 899 O THR A 195 13.216 77.954 103.447 1.00 11.15 A O +ATOM 900 CB THR A 195 12.531 74.913 104.394 1.00 11.37 A C +ATOM 901 CG2 THR A 195 11.948 74.128 105.560 1.00 10.48 A C +ATOM 902 OG1 THR A 195 12.738 74.335 103.117 1.00 12.23 A O +ATOM 903 N GLY A 196 13.343 77.210 105.600 1.00 13.19 A N +ATOM 904 CA GLY A 196 14.439 78.077 105.871 1.00 17.36 A C +ATOM 905 C GLY A 196 14.095 78.985 107.000 1.00 19.58 A C +ATOM 906 O GLY A 196 13.039 78.926 107.638 1.00 21.26 A O +ATOM 907 N ASP A 197 15.111 79.809 107.205 1.00 21.92 A N +ATOM 908 CA ASP A 197 15.037 80.793 108.237 1.00 22.13 A C +ATOM 909 C ASP A 197 13.992 81.819 107.828 1.00 21.35 A C +ATOM 910 O ASP A 197 13.860 82.199 106.641 1.00 17.15 A O +ATOM 911 CB ASP A 197 16.401 81.410 108.392 1.00 24.44 A C +ATOM 912 CG ASP A 197 17.379 80.634 109.253 1.00 24.65 A C +ATOM 913 OD1 ASP A 197 17.006 79.994 110.231 1.00 27.04 A O +ATOM 914 OD2 ASP A 197 18.553 80.701 108.944 1.00 25.93 A O1- +ATOM 915 N ASP A 198 13.273 82.257 108.859 1.00 21.28 A N +ATOM 916 CA ASP A 198 12.217 83.240 108.656 1.00 22.46 A C +ATOM 917 C ASP A 198 12.771 84.440 107.969 1.00 23.48 A C +ATOM 918 O ASP A 198 12.179 84.882 107.000 1.00 22.36 A O +ATOM 919 CB ASP A 198 11.616 83.781 109.917 1.00 21.94 A C +ATOM 920 CG ASP A 198 10.875 82.798 110.799 1.00 22.85 A C +ATOM 921 OD1 ASP A 198 10.411 81.761 110.325 1.00 23.48 A O +ATOM 922 OD2 ASP A 198 10.739 83.088 111.983 1.00 22.62 A O1- +ATOM 923 N LYS A 199 13.956 84.889 108.385 1.00 25.83 A N +ATOM 924 CA LYS A 199 14.560 86.060 107.797 1.00 26.88 A C +ATOM 925 C LYS A 199 15.253 85.747 106.509 1.00 26.53 A C +ATOM 926 O LYS A 199 15.604 86.689 105.807 1.00 25.99 A O +ATOM 927 CB LYS A 199 15.579 86.654 108.714 1.00 28.57 A C +ATOM 928 CG LYS A 199 15.113 86.807 110.159 1.00 32.49 A C +ATOM 929 CD LYS A 199 13.935 87.750 110.409 1.00 34.87 A C +ATOM 930 CE LYS A 199 14.335 89.222 110.293 1.00 36.72 A C +ATOM 931 NZ LYS A 199 13.137 90.061 110.195 1.00 38.96 A N1+ +ATOM 932 N ASN A 200 15.460 84.476 106.124 1.00 26.64 A N +ATOM 933 CA ASN A 200 16.180 84.195 104.887 1.00 25.19 A C +ATOM 934 C ASN A 200 15.775 82.882 104.224 1.00 24.68 A C +ATOM 935 O ASN A 200 16.600 82.045 103.851 1.00 24.85 A O +ATOM 936 CB ASN A 200 17.682 84.254 105.258 1.00 23.81 A C +ATOM 937 CG ASN A 200 18.582 84.626 104.102 1.00 23.44 A C +ATOM 938 ND2 ASN A 200 19.889 84.424 104.312 1.00 25.08 A N +ATOM 939 OD1 ASN A 200 18.127 85.064 103.053 1.00 21.02 A O +ATOM 940 N ALA A 201 14.466 82.692 104.049 1.00 23.63 A N +ATOM 941 CA ALA A 201 13.910 81.493 103.462 1.00 21.25 A C +ATOM 942 C ALA A 201 14.210 81.270 101.988 1.00 20.54 A C +ATOM 943 O ALA A 201 14.531 82.257 101.299 1.00 21.69 A O +ATOM 944 CB ALA A 201 12.418 81.539 103.670 1.00 21.68 A C +ATOM 945 N THR A 202 14.181 80.010 101.511 1.00 18.04 A N +ATOM 946 CA THR A 202 14.408 79.673 100.109 1.00 16.25 A C +ATOM 947 C THR A 202 13.220 78.804 99.720 1.00 16.78 A C +ATOM 948 O THR A 202 12.648 78.035 100.500 1.00 18.06 A O +ATOM 949 CB THR A 202 15.849 78.944 99.889 1.00 16.70 A C +ATOM 950 CG2 THR A 202 16.205 78.132 101.026 1.00 15.53 A C +ATOM 951 OG1 THR A 202 15.864 78.041 98.768 1.00 13.73 A O +ATOM 952 N ALA A 203 12.749 79.150 98.534 1.00 15.58 A N +ATOM 953 CA ALA A 203 11.636 78.514 97.914 1.00 14.25 A C +ATOM 954 C ALA A 203 12.173 77.573 96.842 1.00 14.33 A C +ATOM 955 O ALA A 203 12.850 78.118 95.959 1.00 12.38 A O +ATOM 956 CB ALA A 203 10.755 79.546 97.231 1.00 12.34 A C +ATOM 957 N SER A 204 11.899 76.249 96.806 1.00 13.23 A N +ATOM 958 CA SER A 204 12.412 75.369 95.745 1.00 14.62 A C +ATOM 959 C SER A 204 11.333 75.075 94.712 1.00 14.45 A C +ATOM 960 O SER A 204 10.181 74.873 95.084 1.00 15.02 A O +ATOM 961 CB SER A 204 12.913 74.036 96.334 1.00 13.29 A C +ATOM 962 OG SER A 204 13.855 74.312 97.379 1.00 13.36 A O +ATOM 963 N PHE A 205 11.630 75.024 93.412 1.00 15.31 A N +ATOM 964 CA PHE A 205 10.607 74.753 92.423 1.00 12.99 A C +ATOM 965 C PHE A 205 10.929 73.358 91.922 1.00 12.58 A C +ATOM 966 O PHE A 205 11.903 73.148 91.179 1.00 12.30 A O +ATOM 967 CB PHE A 205 10.683 75.796 91.312 1.00 14.53 A C +ATOM 968 CG PHE A 205 10.292 77.170 91.849 1.00 16.93 A C +ATOM 969 CD1 PHE A 205 11.242 77.992 92.443 1.00 17.89 A C +ATOM 970 CD2 PHE A 205 8.976 77.583 91.839 1.00 17.43 A C +ATOM 971 CE1 PHE A 205 10.877 79.200 93.010 1.00 17.90 A C +ATOM 972 CE2 PHE A 205 8.620 78.795 92.406 1.00 17.96 A C +ATOM 973 CZ PHE A 205 9.565 79.598 93.001 1.00 17.61 A C +ATOM 974 N ILE A 206 10.133 72.369 92.350 1.00 8.96 A N +ATOM 975 CA ILE A 206 10.377 71.006 91.960 1.00 6.99 A C +ATOM 976 C ILE A 206 9.384 70.723 90.886 1.00 8.74 A C +ATOM 977 O ILE A 206 8.197 70.845 91.131 1.00 11.80 A O +ATOM 978 CB ILE A 206 10.177 70.153 93.176 1.00 3.66 A C +ATOM 979 CG1 ILE A 206 11.337 70.499 94.047 1.00 3.13 A C +ATOM 980 CG2 ILE A 206 10.086 68.671 92.889 1.00 2.00 A C +ATOM 981 CD1 ILE A 206 10.934 70.195 95.491 1.00 2.00 A C +ATOM 982 N TYR A 207 9.801 70.281 89.739 1.00 11.12 A N +ATOM 983 CA TYR A 207 8.938 69.995 88.633 1.00 11.13 A C +ATOM 984 C TYR A 207 9.274 68.599 88.119 1.00 14.34 A C +ATOM 985 O TYR A 207 10.424 68.289 87.790 1.00 12.80 A O +ATOM 986 CB TYR A 207 9.186 70.917 87.471 1.00 9.83 A C +ATOM 987 CG TYR A 207 8.211 70.706 86.324 1.00 8.75 A C +ATOM 988 CD1 TYR A 207 6.904 71.088 86.452 1.00 9.85 A C +ATOM 989 CD2 TYR A 207 8.640 70.151 85.159 1.00 8.85 A C +ATOM 990 CE1 TYR A 207 6.007 70.918 85.418 1.00 10.15 A C +ATOM 991 CE2 TYR A 207 7.769 69.981 84.122 1.00 9.04 A C +ATOM 992 CZ TYR A 207 6.474 70.356 84.265 1.00 9.64 A C +ATOM 993 OH TYR A 207 5.594 70.082 83.268 1.00 8.65 A O +ATOM 994 N ASP A 208 8.262 67.733 88.017 1.00 15.77 A N +ATOM 995 CA ASP A 208 8.442 66.410 87.504 1.00 16.39 A C +ATOM 996 C ASP A 208 9.573 65.673 88.180 1.00 16.52 A C +ATOM 997 O ASP A 208 10.481 65.125 87.564 1.00 16.39 A O +ATOM 998 CB ASP A 208 8.623 66.605 86.015 1.00 18.49 A C +ATOM 999 CG ASP A 208 8.647 65.344 85.215 1.00 21.51 A C +ATOM 1000 OD1 ASP A 208 7.689 64.585 85.232 1.00 23.45 A O +ATOM 1001 OD2 ASP A 208 9.652 65.120 84.560 1.00 24.85 A O1- +ATOM 1002 N GLY A 209 9.589 65.794 89.499 1.00 16.47 A N +ATOM 1003 CA GLY A 209 10.576 65.085 90.267 1.00 17.49 A C +ATOM 1004 C GLY A 209 11.911 65.745 90.408 1.00 19.78 A C +ATOM 1005 O GLY A 209 12.549 65.446 91.412 1.00 22.81 A O +ATOM 1006 N ARG A 210 12.364 66.639 89.532 1.00 20.44 A N +ATOM 1007 CA ARG A 210 13.650 67.314 89.634 1.00 19.70 A C +ATOM 1008 C ARG A 210 13.627 68.701 90.272 1.00 18.67 A C +ATOM 1009 O ARG A 210 12.606 69.377 90.167 1.00 18.15 A O +ATOM 1010 CB ARG A 210 14.284 67.572 88.279 1.00 22.59 A C +ATOM 1011 CG ARG A 210 13.723 66.955 87.002 1.00 24.91 A C +ATOM 1012 CD ARG A 210 14.705 65.870 86.673 1.00 28.85 A C +ATOM 1013 NE ARG A 210 14.384 65.124 85.463 1.00 31.54 A N +ATOM 1014 CZ ARG A 210 13.532 64.090 85.448 1.00 31.99 A C +ATOM 1015 NH1 ARG A 210 12.909 63.636 86.554 1.00 32.53 A N1+ +ATOM 1016 NH2 ARG A 210 13.333 63.502 84.272 1.00 32.23 A N +ATOM 1017 N LEU A 211 14.678 69.206 90.957 1.00 16.68 A N +ATOM 1018 CA LEU A 211 14.684 70.578 91.476 1.00 15.50 A C +ATOM 1019 C LEU A 211 14.952 71.323 90.182 1.00 15.96 A C +ATOM 1020 O LEU A 211 15.841 70.858 89.470 1.00 15.13 A O +ATOM 1021 CB LEU A 211 15.836 70.970 92.310 1.00 14.97 A C +ATOM 1022 CG LEU A 211 15.500 72.101 93.262 1.00 16.24 A C +ATOM 1023 CD1 LEU A 211 15.122 71.560 94.621 1.00 15.31 A C +ATOM 1024 CD2 LEU A 211 16.707 72.943 93.490 1.00 16.74 A C +ATOM 1025 N VAL A 212 14.250 72.380 89.754 1.00 16.38 A N +ATOM 1026 CA VAL A 212 14.537 73.073 88.490 1.00 14.08 A C +ATOM 1027 C VAL A 212 14.893 74.550 88.754 1.00 15.50 A C +ATOM 1028 O VAL A 212 15.490 75.191 87.883 1.00 16.40 A O +ATOM 1029 CB VAL A 212 13.300 72.998 87.562 1.00 14.15 A C +ATOM 1030 CG1 VAL A 212 13.577 73.676 86.234 1.00 12.84 A C +ATOM 1031 CG2 VAL A 212 12.985 71.590 87.234 1.00 11.26 A C +ATOM 1032 N ASP A 213 14.616 75.133 89.940 1.00 14.82 A N +ATOM 1033 CA ASP A 213 14.906 76.527 90.220 1.00 12.45 A C +ATOM 1034 C ASP A 213 14.727 76.859 91.694 1.00 11.86 A C +ATOM 1035 O ASP A 213 14.254 76.000 92.413 1.00 9.52 A O +ATOM 1036 CB ASP A 213 13.970 77.401 89.499 1.00 14.33 A C +ATOM 1037 CG ASP A 213 14.590 78.643 88.915 1.00 16.52 A C +ATOM 1038 OD1 ASP A 213 15.482 79.206 89.546 1.00 18.46 A O +ATOM 1039 OD2 ASP A 213 14.170 79.047 87.820 1.00 15.55 A O1- +ATOM 1040 N SER A 214 15.148 78.007 92.193 1.00 11.80 A N +ATOM 1041 CA SER A 214 14.934 78.382 93.583 1.00 14.83 A C +ATOM 1042 C SER A 214 15.023 79.905 93.629 1.00 15.33 A C +ATOM 1043 O SER A 214 15.501 80.533 92.652 1.00 13.50 A O +ATOM 1044 CB SER A 214 15.996 77.806 94.520 1.00 17.49 A C +ATOM 1045 OG SER A 214 17.308 77.896 93.979 1.00 19.42 A O +ATOM 1046 N ILE A 215 14.496 80.515 94.704 1.00 14.98 A N +ATOM 1047 CA ILE A 215 14.509 81.952 94.879 1.00 16.37 A C +ATOM 1048 C ILE A 215 14.699 82.202 96.369 1.00 15.25 A C +ATOM 1049 O ILE A 215 14.278 81.381 97.177 1.00 14.84 A O +ATOM 1050 CB ILE A 215 13.170 82.577 94.362 1.00 18.03 A C +ATOM 1051 CG1 ILE A 215 13.500 83.985 93.907 1.00 18.83 A C +ATOM 1052 CG2 ILE A 215 12.058 82.637 95.457 1.00 17.84 A C +ATOM 1053 CD1 ILE A 215 12.279 84.733 93.362 1.00 20.27 A C +ATOM 1054 N GLY A 216 15.362 83.268 96.786 1.00 15.24 A N +ATOM 1055 CA GLY A 216 15.538 83.520 98.207 1.00 13.48 A C +ATOM 1056 C GLY A 216 14.580 84.644 98.561 1.00 15.52 A C +ATOM 1057 O GLY A 216 14.054 85.352 97.700 1.00 13.66 A O +ATOM 1058 N SER A 217 14.425 84.844 99.848 1.00 14.89 A N +ATOM 1059 CA SER A 217 13.569 85.860 100.373 1.00 17.95 A C +ATOM 1060 C SER A 217 13.923 87.292 99.979 1.00 20.34 A C +ATOM 1061 O SER A 217 15.017 87.758 100.312 1.00 22.42 A O +ATOM 1062 CB SER A 217 13.603 85.680 101.850 1.00 16.67 A C +ATOM 1063 OG SER A 217 12.741 86.619 102.418 1.00 18.21 A O +ATOM 1064 N TRP A 218 12.999 88.019 99.324 1.00 20.99 A N +ATOM 1065 CA TRP A 218 13.215 89.380 98.906 1.00 19.71 A C +ATOM 1066 C TRP A 218 13.018 90.358 100.024 1.00 21.58 A C +ATOM 1067 O TRP A 218 13.761 91.334 100.047 1.00 24.40 A O +ATOM 1068 CB TRP A 218 12.299 89.790 97.762 1.00 20.88 A C +ATOM 1069 CG TRP A 218 10.845 89.328 97.766 1.00 21.72 A C +ATOM 1070 CD1 TRP A 218 9.839 90.039 98.373 1.00 22.16 A C +ATOM 1071 CD2 TRP A 218 10.370 88.207 97.126 1.00 22.34 A C +ATOM 1072 CE2 TRP A 218 9.003 88.299 97.363 1.00 22.83 A C +ATOM 1073 CE3 TRP A 218 10.886 87.166 96.389 1.00 21.05 A C +ATOM 1074 NE1 TRP A 218 8.732 89.388 98.108 1.00 22.16 A N +ATOM 1075 CZ2 TRP A 218 8.150 87.327 96.861 1.00 22.68 A C +ATOM 1076 CZ3 TRP A 218 10.023 86.218 95.897 1.00 20.95 A C +ATOM 1077 CH2 TRP A 218 8.675 86.286 96.128 1.00 21.81 A C +ATOM 1078 N SER A 219 12.076 90.261 100.938 1.00 20.55 A N +ATOM 1079 CA SER A 219 12.000 91.235 101.993 1.00 21.40 A C +ATOM 1080 C SER A 219 12.493 90.678 103.300 1.00 21.82 A C +ATOM 1081 O SER A 219 12.130 91.235 104.327 1.00 22.04 A O +ATOM 1082 CB SER A 219 10.571 91.744 102.210 1.00 21.38 A C +ATOM 1083 OG SER A 219 10.060 92.275 101.017 1.00 23.34 A O +ATOM 1084 N GLN A 220 13.218 89.566 103.375 1.00 22.58 A N +ATOM 1085 CA GLN A 220 13.734 89.081 104.657 1.00 22.98 A C +ATOM 1086 C GLN A 220 12.788 88.915 105.836 1.00 23.98 A C +ATOM 1087 O GLN A 220 13.143 88.947 107.027 1.00 23.73 A O +ATOM 1088 CB GLN A 220 14.907 89.982 105.068 1.00 24.52 A C +ATOM 1089 CG GLN A 220 16.116 89.905 104.126 1.00 28.22 A C +ATOM 1090 CD GLN A 220 15.959 90.717 102.843 1.00 31.58 A C +ATOM 1091 NE2 GLN A 220 16.030 90.197 101.619 1.00 32.02 A N +ATOM 1092 OE1 GLN A 220 15.724 91.928 102.912 1.00 34.49 A O +ATOM 1093 N ASN A 221 11.529 88.655 105.494 1.00 24.29 A N +ATOM 1094 CA ASN A 221 10.532 88.453 106.517 1.00 25.22 A C +ATOM 1095 C ASN A 221 9.432 87.500 106.055 1.00 24.53 A C +ATOM 1096 O ASN A 221 8.480 87.923 105.385 1.00 25.26 A O +ATOM 1097 CB ASN A 221 9.913 89.790 106.913 1.00 27.08 A C +ATOM 1098 CG ASN A 221 9.249 89.635 108.261 1.00 28.43 A C +ATOM 1099 ND2 ASN A 221 8.230 90.385 108.624 1.00 29.71 A N +ATOM 1100 OD1 ASN A 221 9.625 88.787 109.061 1.00 31.35 A O +ATOM 1101 N ILE A 222 9.710 86.207 106.338 1.00 21.08 A N +ATOM 1102 CA ILE A 222 8.901 85.026 106.043 1.00 17.10 A C +ATOM 1103 C ILE A 222 8.321 84.936 104.646 1.00 16.29 A C +ATOM 1104 O ILE A 222 7.197 85.345 104.387 1.00 18.20 A O +ATOM 1105 CB ILE A 222 7.804 84.949 107.114 1.00 15.67 A C +ATOM 1106 CG1 ILE A 222 8.512 84.946 108.434 1.00 15.05 A C +ATOM 1107 CG2 ILE A 222 6.960 83.680 107.018 1.00 16.13 A C +ATOM 1108 CD1 ILE A 222 7.628 84.726 109.657 1.00 15.90 A C +ATOM 1109 N LEU A 223 9.075 84.442 103.678 1.00 15.03 A N +ATOM 1110 CA LEU A 223 8.574 84.309 102.307 1.00 13.93 A C +ATOM 1111 C LEU A 223 7.425 83.289 102.447 1.00 15.13 A C +ATOM 1112 O LEU A 223 7.668 82.236 103.037 1.00 15.59 A O +ATOM 1113 CB LEU A 223 9.746 83.821 101.523 1.00 12.74 A C +ATOM 1114 CG LEU A 223 9.621 83.544 100.066 1.00 13.37 A C +ATOM 1115 CD1 LEU A 223 9.230 84.778 99.269 1.00 12.32 A C +ATOM 1116 CD2 LEU A 223 10.968 82.990 99.640 1.00 13.90 A C +ATOM 1117 N ARG A 224 6.185 83.519 101.998 1.00 14.84 A N +ATOM 1118 CA ARG A 224 5.079 82.601 102.178 1.00 15.69 A C +ATOM 1119 C ARG A 224 4.370 82.486 100.862 1.00 15.66 A C +ATOM 1120 O ARG A 224 4.625 83.333 99.998 1.00 17.32 A O +ATOM 1121 CB ARG A 224 4.028 83.116 103.114 1.00 17.53 A C +ATOM 1122 CG ARG A 224 4.362 84.226 104.072 1.00 19.78 A C +ATOM 1123 CD ARG A 224 3.350 85.373 104.266 1.00 22.38 A C +ATOM 1124 NE ARG A 224 4.036 86.286 105.176 1.00 25.99 A N +ATOM 1125 CZ ARG A 224 3.965 87.619 105.197 1.00 26.25 A C +ATOM 1126 NH1 ARG A 224 3.163 88.368 104.454 1.00 27.78 A N1+ +ATOM 1127 NH2 ARG A 224 4.694 88.238 106.089 1.00 28.54 A N +ATOM 1128 N THR A 225 3.394 81.570 100.709 1.00 15.20 A N +ATOM 1129 CA THR A 225 2.631 81.400 99.466 1.00 14.23 A C +ATOM 1130 C THR A 225 1.221 80.835 99.737 1.00 15.85 A C +ATOM 1131 O THR A 225 0.790 80.667 100.910 1.00 17.01 A O +ATOM 1132 CB THR A 225 3.473 80.502 98.531 1.00 14.21 A C +ATOM 1133 CG2 THR A 225 3.583 79.074 99.011 1.00 12.27 A C +ATOM 1134 OG1 THR A 225 2.888 80.604 97.235 1.00 11.86 A O +ATOM 1135 N GLN A 226 0.514 80.560 98.640 1.00 13.97 A N +ATOM 1136 CA GLN A 226 -0.819 80.047 98.634 1.00 14.66 A C +ATOM 1137 C GLN A 226 -1.406 79.166 99.742 1.00 15.95 A C +ATOM 1138 O GLN A 226 -2.403 79.524 100.379 1.00 19.24 A O +ATOM 1139 CB GLN A 226 -0.995 79.290 97.389 1.00 16.46 A C +ATOM 1140 CG GLN A 226 -1.914 79.665 96.269 1.00 17.97 A C +ATOM 1141 CD GLN A 226 -1.229 80.661 95.420 1.00 17.10 A C +ATOM 1142 NE2 GLN A 226 -0.803 81.717 96.076 1.00 21.74 A N +ATOM 1143 OE1 GLN A 226 -1.038 80.546 94.228 1.00 17.34 A O +ATOM 1144 N GLU A 227 -0.833 77.961 99.908 1.00 13.29 A N +ATOM 1145 CA GLU A 227 -1.229 76.897 100.816 1.00 11.35 A C +ATOM 1146 C GLU A 227 -2.445 76.240 100.193 1.00 8.55 A C +ATOM 1147 O GLU A 227 -3.315 75.673 100.862 1.00 6.37 A O +ATOM 1148 CB GLU A 227 -1.596 77.329 102.259 1.00 14.42 A C +ATOM 1149 CG GLU A 227 -0.643 78.238 102.942 1.00 18.18 A C +ATOM 1150 CD GLU A 227 0.805 77.767 103.172 1.00 22.37 A C +ATOM 1151 OE1 GLU A 227 1.406 77.330 102.191 1.00 23.33 A O +ATOM 1152 OE2 GLU A 227 1.360 77.901 104.288 1.00 23.57 A O1- +ATOM 1153 N SER A 228 -2.526 76.249 98.847 1.00 3.95 A N +ATOM 1154 CA SER A 228 -3.585 75.615 98.137 1.00 2.82 A C +ATOM 1155 C SER A 228 -3.033 75.598 96.711 1.00 5.50 A C +ATOM 1156 O SER A 228 -1.886 75.984 96.423 1.00 4.28 A O +ATOM 1157 CB SER A 228 -4.920 76.405 98.266 1.00 4.84 A C +ATOM 1158 OG SER A 228 -5.103 77.484 97.321 1.00 2.00 A O +ATOM 1159 N GLU A 229 -3.788 75.182 95.748 1.00 8.31 A N +ATOM 1160 CA GLU A 229 -3.296 75.050 94.396 1.00 9.87 A C +ATOM 1161 C GLU A 229 -2.869 76.212 93.503 1.00 10.90 A C +ATOM 1162 O GLU A 229 -3.568 77.240 93.395 1.00 13.31 A O +ATOM 1163 CB GLU A 229 -4.405 74.201 93.843 1.00 11.21 A C +ATOM 1164 CG GLU A 229 -4.589 74.118 92.384 1.00 14.39 A C +ATOM 1165 CD GLU A 229 -5.913 73.493 92.037 1.00 15.02 A C +ATOM 1166 OE1 GLU A 229 -6.909 74.158 92.211 1.00 12.93 A O +ATOM 1167 OE2 GLU A 229 -5.949 72.366 91.529 1.00 17.48 A O1- +ATOM 1168 N CYS A 230 -1.739 76.057 92.799 1.00 9.49 A N +ATOM 1169 CA CYS A 230 -1.342 77.097 91.845 1.00 9.50 A C +ATOM 1170 C CYS A 230 -2.126 76.776 90.556 1.00 8.22 A C +ATOM 1171 O CYS A 230 -2.934 75.807 90.573 1.00 8.38 A O +ATOM 1172 CB CYS A 230 0.175 77.048 91.631 1.00 7.13 A C +ATOM 1173 SG CYS A 230 0.942 75.411 91.429 1.00 6.43 A S +ATOM 1174 N VAL A 231 -2.119 77.469 89.405 1.00 5.46 A N +ATOM 1175 CA VAL A 231 -2.924 76.965 88.307 1.00 8.01 A C +ATOM 1176 C VAL A 231 -2.065 77.259 87.071 1.00 8.50 A C +ATOM 1177 O VAL A 231 -1.316 78.227 87.063 1.00 8.28 A O +ATOM 1178 CB VAL A 231 -4.401 77.631 88.320 1.00 9.19 A C +ATOM 1179 CG1 VAL A 231 -4.621 78.504 89.550 1.00 6.62 A C +ATOM 1180 CG2 VAL A 231 -4.630 78.436 87.079 1.00 8.50 A C +ATOM 1181 N CYS A 232 -2.028 76.346 86.117 1.00 10.57 A N +ATOM 1182 CA CYS A 232 -1.225 76.445 84.922 1.00 13.95 A C +ATOM 1183 C CYS A 232 -2.144 76.504 83.710 1.00 15.47 A C +ATOM 1184 O CYS A 232 -3.159 75.786 83.701 1.00 17.03 A O +ATOM 1185 CB CYS A 232 -0.298 75.187 84.871 1.00 12.56 A C +ATOM 1186 SG CYS A 232 0.448 74.699 86.473 1.00 16.75 A S +ATOM 1187 N ILE A 233 -1.853 77.341 82.704 1.00 16.82 A N +ATOM 1188 CA ILE A 233 -2.643 77.434 81.485 1.00 18.65 A C +ATOM 1189 C ILE A 233 -1.614 77.364 80.367 1.00 23.05 A C +ATOM 1190 O ILE A 233 -0.614 78.086 80.417 1.00 24.40 A O +ATOM 1191 CB ILE A 233 -3.402 78.760 81.324 1.00 16.90 A C +ATOM 1192 CG1 ILE A 233 -4.394 78.940 82.450 1.00 15.24 A C +ATOM 1193 CG2 ILE A 233 -4.178 78.745 80.018 1.00 15.91 A C +ATOM 1194 CD1 ILE A 233 -5.338 80.122 82.264 1.00 15.24 A C +ATOM 1195 N ASN A 234 -1.749 76.457 79.408 1.00 27.64 A N +ATOM 1196 CA ASN A 234 -0.835 76.337 78.285 1.00 32.24 A C +ATOM 1197 C ASN A 234 0.627 76.097 78.601 1.00 31.09 A C +ATOM 1198 O ASN A 234 1.469 76.280 77.730 1.00 31.11 A O +ATOM 1199 CB ASN A 234 -0.876 77.569 77.407 1.00 38.82 A C +ATOM 1200 CG ASN A 234 -2.174 77.773 76.656 1.00 45.53 A C +ATOM 1201 ND2 ASN A 234 -2.119 77.935 75.336 1.00 50.99 A N +ATOM 1202 OD1 ASN A 234 -3.260 77.831 77.247 1.00 46.98 A O +ATOM 1203 N GLY A 235 1.014 75.637 79.780 1.00 28.93 A N +ATOM 1204 CA GLY A 235 2.419 75.414 80.046 1.00 26.49 A C +ATOM 1205 C GLY A 235 2.949 76.349 81.098 1.00 25.43 A C +ATOM 1206 O GLY A 235 3.909 75.954 81.756 1.00 26.44 A O +ATOM 1207 N THR A 236 2.344 77.520 81.363 1.00 23.58 A N +ATOM 1208 CA THR A 236 2.848 78.447 82.374 1.00 21.15 A C +ATOM 1209 C THR A 236 2.047 78.311 83.660 1.00 20.35 A C +ATOM 1210 O THR A 236 0.817 78.333 83.615 1.00 20.64 A O +ATOM 1211 CB THR A 236 2.738 79.837 81.743 1.00 22.34 A C +ATOM 1212 CG2 THR A 236 3.425 80.939 82.514 1.00 20.97 A C +ATOM 1213 OG1 THR A 236 3.344 79.704 80.457 1.00 22.65 A O +ATOM 1214 N CYS A 237 2.655 78.124 84.814 1.00 18.51 A N +ATOM 1215 CA CYS A 237 1.911 77.977 86.060 1.00 17.44 A C +ATOM 1216 C CYS A 237 2.089 79.255 86.836 1.00 16.47 A C +ATOM 1217 O CYS A 237 3.206 79.787 86.761 1.00 15.70 A O +ATOM 1218 CB CYS A 237 2.467 76.784 86.830 1.00 17.25 A C +ATOM 1219 SG CYS A 237 2.333 75.222 85.908 1.00 18.17 A S +ATOM 1220 N THR A 238 1.133 79.850 87.538 1.00 14.44 A N +ATOM 1221 CA THR A 238 1.486 81.083 88.199 1.00 15.29 A C +ATOM 1222 C THR A 238 1.297 80.879 89.686 1.00 15.56 A C +ATOM 1223 O THR A 238 0.445 80.040 90.013 1.00 15.86 A O +ATOM 1224 CB THR A 238 0.588 82.171 87.558 1.00 16.55 A C +ATOM 1225 CG2 THR A 238 -0.906 81.916 87.589 1.00 17.45 A C +ATOM 1226 OG1 THR A 238 0.910 83.350 88.287 1.00 17.68 A O +ATOM 1227 N VAL A 239 2.103 81.446 90.579 1.00 13.91 A N +ATOM 1228 CA VAL A 239 1.853 81.238 92.009 1.00 15.74 A C +ATOM 1229 C VAL A 239 1.971 82.634 92.591 1.00 16.54 A C +ATOM 1230 O VAL A 239 2.643 83.459 91.952 1.00 18.47 A O +ATOM 1231 CB VAL A 239 2.900 80.251 92.704 1.00 15.38 A C +ATOM 1232 CG1 VAL A 239 4.251 80.875 92.791 1.00 15.81 A C +ATOM 1233 CG2 VAL A 239 2.612 80.045 94.181 1.00 15.69 A C +ATOM 1234 N VAL A 240 1.394 82.992 93.740 1.00 15.65 A N +ATOM 1235 CA VAL A 240 1.559 84.342 94.198 1.00 16.02 A C +ATOM 1236 C VAL A 240 2.249 84.137 95.524 1.00 16.33 A C +ATOM 1237 O VAL A 240 1.765 83.262 96.262 1.00 16.66 A O +ATOM 1238 CB VAL A 240 0.175 85.182 94.396 1.00 15.97 A C +ATOM 1239 CG1 VAL A 240 -0.821 84.800 93.291 1.00 13.83 A C +ATOM 1240 CG2 VAL A 240 -0.466 84.985 95.750 1.00 16.04 A C +ATOM 1241 N MET A 241 3.315 84.890 95.842 1.00 14.36 A N +ATOM 1242 CA MET A 241 4.025 84.746 97.112 1.00 16.32 A C +ATOM 1243 C MET A 241 4.173 86.088 97.801 1.00 15.58 A C +ATOM 1244 O MET A 241 4.065 87.115 97.113 1.00 14.27 A O +ATOM 1245 CB MET A 241 5.447 84.221 96.929 1.00 16.66 A C +ATOM 1246 CG MET A 241 5.572 82.903 96.228 1.00 17.09 A C +ATOM 1247 SD MET A 241 7.281 82.328 96.280 1.00 16.16 A S +ATOM 1248 CE MET A 241 7.182 82.199 94.537 1.00 16.01 A C +ATOM 1249 N THR A 242 4.347 86.190 99.112 1.00 15.88 A N +ATOM 1250 CA THR A 242 4.527 87.503 99.650 1.00 18.11 A C +ATOM 1251 C THR A 242 5.585 87.368 100.719 1.00 19.22 A C +ATOM 1252 O THR A 242 5.793 86.277 101.260 1.00 19.73 A O +ATOM 1253 CB THR A 242 3.151 88.160 100.186 1.00 20.26 A C +ATOM 1254 CG2 THR A 242 1.970 87.425 99.635 1.00 19.62 A C +ATOM 1255 OG1 THR A 242 3.104 88.209 101.613 1.00 21.00 A O +ATOM 1256 N ASP A 243 6.279 88.466 101.004 1.00 19.36 A N +ATOM 1257 CA ASP A 243 7.360 88.524 101.975 1.00 19.19 A C +ATOM 1258 C ASP A 243 7.195 89.875 102.608 1.00 18.94 A C +ATOM 1259 O ASP A 243 7.031 90.829 101.843 1.00 18.09 A O +ATOM 1260 CB ASP A 243 8.632 88.462 101.191 1.00 19.15 A C +ATOM 1261 CG ASP A 243 9.900 88.024 101.870 1.00 19.44 A C +ATOM 1262 OD1 ASP A 243 10.024 88.042 103.100 1.00 17.47 A O +ATOM 1263 OD2 ASP A 243 10.771 87.642 101.083 1.00 20.47 A O1- +ATOM 1264 N GLY A 244 7.218 90.079 103.908 1.00 19.69 A N +ATOM 1265 CA GLY A 244 7.042 91.407 104.415 1.00 21.13 A C +ATOM 1266 C GLY A 244 6.353 91.313 105.746 1.00 24.59 A C +ATOM 1267 O GLY A 244 6.474 90.309 106.444 1.00 24.30 A O +ATOM 1268 N SER A 245 5.639 92.347 106.151 1.00 26.79 A N +ATOM 1269 CA SER A 245 4.977 92.291 107.429 1.00 29.19 A C +ATOM 1270 C SER A 245 3.690 91.489 107.345 1.00 29.95 A C +ATOM 1271 O SER A 245 3.069 91.386 106.283 1.00 31.02 A O +ATOM 1272 CB SER A 245 4.699 93.704 107.864 1.00 29.99 A C +ATOM 1273 OG SER A 245 4.436 93.649 109.262 1.00 31.83 A O +ATOM 1274 N ALA A 246 3.280 90.925 108.484 1.00 31.51 A N +ATOM 1275 CA ALA A 246 2.057 90.132 108.585 1.00 32.60 A C +ATOM 1276 C ALA A 246 0.905 91.093 108.646 1.00 33.80 A C +ATOM 1277 O ALA A 246 -0.115 90.905 107.982 1.00 35.06 A O +ATOM 1278 CB ALA A 246 1.930 89.327 109.867 1.00 32.34 A C +ATOM 1279 N SER A 247 1.078 92.101 109.484 1.00 33.86 A N +ATOM 1280 CA SER A 247 0.081 93.122 109.674 1.00 34.52 A C +ATOM 1281 C SER A 247 0.895 94.390 109.584 1.00 33.45 A C +ATOM 1282 O SER A 247 1.468 94.858 110.572 1.00 33.45 A O +ATOM 1283 CB SER A 247 -0.566 92.970 111.053 1.00 36.04 A C +ATOM 1284 OG SER A 247 -1.191 91.682 111.094 1.00 38.86 A O +ATOM 1285 N GLY A 248 0.998 94.773 108.323 1.00 30.87 A N +ATOM 1286 CA GLY A 248 1.709 95.933 107.895 1.00 31.23 A C +ATOM 1287 C GLY A 248 1.812 95.849 106.390 1.00 31.53 A C +ATOM 1288 O GLY A 248 1.271 94.936 105.782 1.00 30.48 A O +ATOM 1289 N ARG A 249 2.496 96.781 105.750 1.00 33.50 A N +ATOM 1290 CA ARG A 249 2.656 96.772 104.304 1.00 35.38 A C +ATOM 1291 C ARG A 249 3.575 95.584 104.004 1.00 35.20 A C +ATOM 1292 O ARG A 249 4.467 95.328 104.833 1.00 35.69 A O +ATOM 1293 CB ARG A 249 3.274 98.112 103.881 1.00 38.50 A C +ATOM 1294 CG ARG A 249 3.533 98.179 102.363 1.00 42.63 A C +ATOM 1295 CD ARG A 249 3.235 99.514 101.651 1.00 46.33 A C +ATOM 1296 NE ARG A 249 4.153 100.590 101.995 1.00 49.77 A N +ATOM 1297 CZ ARG A 249 3.860 101.517 102.929 1.00 52.17 A C +ATOM 1298 NH1 ARG A 249 2.685 101.520 103.614 1.00 52.87 A N1+ +ATOM 1299 NH2 ARG A 249 4.772 102.472 103.182 1.00 52.90 A N +ATOM 1300 N ALA A 250 3.413 94.824 102.907 1.00 32.59 A N +ATOM 1301 CA ALA A 250 4.270 93.685 102.624 1.00 30.25 A C +ATOM 1302 C ALA A 250 4.552 93.639 101.143 1.00 29.43 A C +ATOM 1303 O ALA A 250 3.892 94.312 100.358 1.00 29.95 A O +ATOM 1304 CB ALA A 250 3.596 92.375 102.997 1.00 30.51 A C +ATOM 1305 N ASP A 251 5.478 92.832 100.678 1.00 28.09 A N +ATOM 1306 CA ASP A 251 5.798 92.775 99.267 1.00 26.88 A C +ATOM 1307 C ASP A 251 5.279 91.478 98.691 1.00 25.52 A C +ATOM 1308 O ASP A 251 5.720 90.414 99.127 1.00 24.94 A O +ATOM 1309 CB ASP A 251 7.284 92.844 99.136 1.00 29.19 A C +ATOM 1310 CG ASP A 251 7.848 93.053 97.746 1.00 30.44 A C +ATOM 1311 OD1 ASP A 251 7.260 92.631 96.739 1.00 31.27 A O +ATOM 1312 OD2 ASP A 251 8.928 93.652 97.696 1.00 32.73 A O1- +ATOM 1313 N THR A 252 4.442 91.602 97.653 1.00 22.09 A N +ATOM 1314 CA THR A 252 3.792 90.526 96.959 1.00 19.13 A C +ATOM 1315 C THR A 252 4.220 90.439 95.524 1.00 19.75 A C +ATOM 1316 O THR A 252 4.144 91.465 94.863 1.00 19.16 A O +ATOM 1317 CB THR A 252 2.253 90.761 97.049 1.00 18.82 A C +ATOM 1318 CG2 THR A 252 1.488 89.871 96.070 1.00 17.53 A C +ATOM 1319 OG1 THR A 252 1.848 90.570 98.425 1.00 17.94 A O +ATOM 1320 N ARG A 253 4.603 89.279 94.985 1.00 20.65 A N +ATOM 1321 CA ARG A 253 5.002 89.135 93.594 1.00 20.42 A C +ATOM 1322 C ARG A 253 4.247 87.879 93.178 1.00 20.62 A C +ATOM 1323 O ARG A 253 3.974 86.995 94.015 1.00 18.85 A O +ATOM 1324 CB ARG A 253 6.479 88.863 93.423 1.00 22.45 A C +ATOM 1325 CG ARG A 253 7.467 89.555 94.375 1.00 23.78 A C +ATOM 1326 CD ARG A 253 7.961 90.891 93.909 1.00 26.35 A C +ATOM 1327 NE ARG A 253 9.404 90.811 93.737 1.00 28.90 A N +ATOM 1328 CZ ARG A 253 10.323 91.223 94.636 1.00 29.79 A C +ATOM 1329 NH1 ARG A 253 10.012 91.786 95.805 1.00 28.19 A N1+ +ATOM 1330 NH2 ARG A 253 11.614 91.053 94.317 1.00 29.61 A N +ATOM 1331 N ILE A 254 3.875 87.857 91.896 1.00 19.26 A N +ATOM 1332 CA ILE A 254 3.156 86.785 91.260 1.00 19.90 A C +ATOM 1333 C ILE A 254 4.243 86.209 90.355 1.00 19.91 A C +ATOM 1334 O ILE A 254 4.829 86.974 89.595 1.00 20.22 A O +ATOM 1335 CB ILE A 254 1.948 87.376 90.447 1.00 20.20 A C +ATOM 1336 CG1 ILE A 254 0.789 87.672 91.366 1.00 19.25 A C +ATOM 1337 CG2 ILE A 254 1.526 86.421 89.329 1.00 20.42 A C +ATOM 1338 CD1 ILE A 254 0.960 89.016 92.048 1.00 21.32 A C +ATOM 1339 N LEU A 255 4.573 84.920 90.398 1.00 20.46 A N +ATOM 1340 CA LEU A 255 5.614 84.349 89.570 1.00 21.41 A C +ATOM 1341 C LEU A 255 5.007 83.518 88.488 1.00 21.60 A C +ATOM 1342 O LEU A 255 4.030 82.833 88.777 1.00 23.35 A O +ATOM 1343 CB LEU A 255 6.486 83.411 90.305 1.00 21.20 A C +ATOM 1344 CG LEU A 255 7.119 83.738 91.616 1.00 21.46 A C +ATOM 1345 CD1 LEU A 255 8.468 83.062 91.509 1.00 22.54 A C +ATOM 1346 CD2 LEU A 255 7.353 85.210 91.909 1.00 21.84 A C +ATOM 1347 N PHE A 256 5.568 83.542 87.297 1.00 22.62 A N +ATOM 1348 CA PHE A 256 5.078 82.756 86.173 1.00 24.46 A C +ATOM 1349 C PHE A 256 6.179 81.725 85.957 1.00 25.11 A C +ATOM 1350 O PHE A 256 7.359 82.093 85.824 1.00 24.19 A O +ATOM 1351 CB PHE A 256 4.937 83.594 84.915 1.00 25.40 A C +ATOM 1352 CG PHE A 256 3.775 84.554 85.044 1.00 27.34 A C +ATOM 1353 CD1 PHE A 256 3.933 85.724 85.764 1.00 27.09 A C +ATOM 1354 CD2 PHE A 256 2.566 84.235 84.442 1.00 27.96 A C +ATOM 1355 CE1 PHE A 256 2.883 86.595 85.873 1.00 27.36 A C +ATOM 1356 CE2 PHE A 256 1.515 85.124 84.560 1.00 28.96 A C +ATOM 1357 CZ PHE A 256 1.678 86.297 85.281 1.00 28.71 A C +ATOM 1358 N ILE A 257 5.873 80.426 85.916 1.00 24.23 A N +ATOM 1359 CA ILE A 257 6.942 79.471 85.754 1.00 24.15 A C +ATOM 1360 C ILE A 257 6.639 78.397 84.733 1.00 24.87 A C +ATOM 1361 O ILE A 257 5.560 77.812 84.714 1.00 26.62 A O +ATOM 1362 CB ILE A 257 7.343 78.921 87.228 1.00 22.86 A C +ATOM 1363 CG1 ILE A 257 7.290 77.449 87.214 1.00 22.35 A C +ATOM 1364 CG2 ILE A 257 6.495 79.495 88.397 1.00 21.01 A C +ATOM 1365 CD1 ILE A 257 7.875 77.020 88.568 1.00 23.79 A C +ATOM 1366 N GLU A 258 7.583 78.165 83.846 1.00 25.56 A N +ATOM 1367 CA GLU A 258 7.416 77.172 82.819 1.00 27.44 A C +ATOM 1368 C GLU A 258 8.333 76.023 83.149 1.00 27.51 A C +ATOM 1369 O GLU A 258 9.513 76.250 83.417 1.00 29.14 A O +ATOM 1370 CB GLU A 258 7.776 77.754 81.505 1.00 28.99 A C +ATOM 1371 CG GLU A 258 6.771 78.852 81.273 1.00 31.91 A C +ATOM 1372 CD GLU A 258 6.929 79.672 80.007 1.00 34.54 A C +ATOM 1373 OE1 GLU A 258 7.687 79.297 79.090 1.00 35.42 A O +ATOM 1374 OE2 GLU A 258 6.260 80.711 79.966 1.00 36.00 A O1- +ATOM 1375 N GLU A 259 7.802 74.798 83.218 1.00 26.36 A N +ATOM 1376 CA GLU A 259 8.537 73.599 83.542 1.00 24.73 A C +ATOM 1377 C GLU A 259 9.414 73.736 84.783 1.00 23.00 A C +ATOM 1378 O GLU A 259 10.540 73.262 84.784 1.00 24.03 A O +ATOM 1379 CB GLU A 259 9.388 73.174 82.340 1.00 26.16 A C +ATOM 1380 CG GLU A 259 8.533 72.478 81.307 1.00 29.47 A C +ATOM 1381 CD GLU A 259 9.228 72.162 79.985 1.00 31.40 A C +ATOM 1382 OE1 GLU A 259 9.822 73.058 79.367 1.00 33.21 A O +ATOM 1383 OE2 GLU A 259 9.183 71.009 79.555 1.00 32.87 A O1- +ATOM 1384 N GLY A 260 8.972 74.344 85.885 1.00 21.05 A N +ATOM 1385 CA GLY A 260 9.798 74.481 87.071 1.00 17.61 A C +ATOM 1386 C GLY A 260 10.715 75.726 87.085 1.00 17.77 A C +ATOM 1387 O GLY A 260 11.114 76.194 88.151 1.00 14.73 A O +ATOM 1388 N LYS A 261 10.976 76.350 85.944 1.00 16.75 A N +ATOM 1389 CA LYS A 261 11.852 77.501 85.797 1.00 18.69 A C +ATOM 1390 C LYS A 261 11.068 78.804 85.839 1.00 18.55 A C +ATOM 1391 O LYS A 261 10.115 79.002 85.059 1.00 17.04 A O +ATOM 1392 CB LYS A 261 12.583 77.338 84.455 1.00 21.22 A C +ATOM 1393 CG LYS A 261 13.469 78.445 83.900 1.00 25.73 A C +ATOM 1394 CD LYS A 261 14.662 78.736 84.809 1.00 29.77 A C +ATOM 1395 CE LYS A 261 15.611 77.542 85.108 1.00 32.07 A C +ATOM 1396 NZ LYS A 261 16.493 77.823 86.251 1.00 33.36 A N1+ +ATOM 1397 N ILE A 262 11.414 79.701 86.763 1.00 17.02 A N +ATOM 1398 CA ILE A 262 10.750 80.969 86.850 1.00 16.89 A C +ATOM 1399 C ILE A 262 10.965 81.755 85.555 1.00 18.78 A C +ATOM 1400 O ILE A 262 12.109 82.067 85.217 1.00 19.95 A O +ATOM 1401 CB ILE A 262 11.302 81.718 88.006 1.00 15.64 A C +ATOM 1402 CG1 ILE A 262 11.002 80.974 89.265 1.00 14.91 A C +ATOM 1403 CG2 ILE A 262 10.715 83.128 87.981 1.00 15.35 A C +ATOM 1404 CD1 ILE A 262 11.659 81.557 90.535 1.00 13.90 A C +ATOM 1405 N VAL A 263 9.911 82.061 84.798 1.00 18.22 A N +ATOM 1406 CA VAL A 263 10.106 82.802 83.576 1.00 18.73 A C +ATOM 1407 C VAL A 263 9.737 84.271 83.690 1.00 19.13 A C +ATOM 1408 O VAL A 263 9.961 84.973 82.708 1.00 20.36 A O +ATOM 1409 CB VAL A 263 9.310 82.172 82.416 1.00 18.60 A C +ATOM 1410 CG1 VAL A 263 9.917 80.809 82.143 1.00 19.07 A C +ATOM 1411 CG2 VAL A 263 7.821 82.066 82.748 1.00 19.05 A C +ATOM 1412 N HIS A 264 9.162 84.820 84.769 1.00 18.29 A N +ATOM 1413 CA HIS A 264 8.847 86.232 84.858 1.00 17.07 A C +ATOM 1414 C HIS A 264 8.372 86.449 86.265 1.00 16.79 A C +ATOM 1415 O HIS A 264 7.934 85.496 86.886 1.00 16.10 A O +ATOM 1416 CB HIS A 264 7.708 86.653 83.937 1.00 19.71 A C +ATOM 1417 CG HIS A 264 7.489 88.170 83.870 1.00 21.47 A C +ATOM 1418 CD2 HIS A 264 7.901 88.925 82.781 1.00 21.65 A C +ATOM 1419 ND1 HIS A 264 6.954 89.034 84.756 1.00 22.10 A N +ATOM 1420 CE1 HIS A 264 7.034 90.242 84.262 1.00 21.98 A C +ATOM 1421 NE2 HIS A 264 7.601 90.164 83.076 1.00 21.98 A N +ATOM 1422 N ILE A 265 8.465 87.632 86.846 1.00 16.22 A N +ATOM 1423 CA ILE A 265 7.964 87.882 88.195 1.00 16.79 A C +ATOM 1424 C ILE A 265 7.255 89.211 88.036 1.00 18.41 A C +ATOM 1425 O ILE A 265 7.780 90.070 87.304 1.00 20.46 A O +ATOM 1426 CB ILE A 265 9.108 87.985 89.163 1.00 16.20 A C +ATOM 1427 CG1 ILE A 265 9.866 86.654 89.287 1.00 16.78 A C +ATOM 1428 CG2 ILE A 265 8.519 88.485 90.439 1.00 16.73 A C +ATOM 1429 CD1 ILE A 265 10.687 86.538 90.593 1.00 18.23 A C +ATOM 1430 N SER A 266 6.029 89.377 88.520 1.00 18.76 A N +ATOM 1431 CA SER A 266 5.311 90.643 88.402 1.00 17.51 A C +ATOM 1432 C SER A 266 4.959 91.076 89.800 1.00 17.42 A C +ATOM 1433 O SER A 266 4.538 90.263 90.630 1.00 18.45 A O +ATOM 1434 CB SER A 266 4.062 90.455 87.591 1.00 17.54 A C +ATOM 1435 OG SER A 266 4.440 90.144 86.259 1.00 17.48 A O +ATOM 1436 N PRO A 267 5.215 92.310 90.180 1.00 17.01 A N +ATOM 1437 CA PRO A 267 4.752 92.831 91.440 1.00 16.11 A C +ATOM 1438 C PRO A 267 3.263 93.104 91.377 1.00 16.58 A C +ATOM 1439 O PRO A 267 2.666 93.332 90.296 1.00 16.92 A O +ATOM 1440 CB PRO A 267 5.603 94.029 91.611 1.00 16.30 A C +ATOM 1441 CG PRO A 267 5.662 94.529 90.199 1.00 16.26 A C +ATOM 1442 CD PRO A 267 6.041 93.269 89.474 1.00 16.94 A C +ATOM 1443 N LEU A 268 2.690 93.036 92.573 1.00 15.19 A N +ATOM 1444 CA LEU A 268 1.279 93.297 92.739 1.00 16.85 A C +ATOM 1445 C LEU A 268 0.977 94.739 92.309 1.00 19.73 A C +ATOM 1446 O LEU A 268 1.753 95.692 92.525 1.00 21.06 A O +ATOM 1447 CB LEU A 268 0.882 93.127 94.195 1.00 15.07 A C +ATOM 1448 CG LEU A 268 -0.543 93.335 94.531 1.00 13.63 A C +ATOM 1449 CD1 LEU A 268 -1.419 92.410 93.738 1.00 13.32 A C +ATOM 1450 CD2 LEU A 268 -0.691 93.112 95.996 1.00 13.51 A C +ATOM 1451 N ALA A 269 -0.208 94.896 91.744 1.00 21.38 A N +ATOM 1452 CA ALA A 269 -0.656 96.182 91.260 1.00 21.20 A C +ATOM 1453 C ALA A 269 -2.126 96.306 91.648 1.00 22.46 A C +ATOM 1454 O ALA A 269 -2.715 95.325 92.139 1.00 22.41 A O +ATOM 1455 CB ALA A 269 -0.510 96.189 89.759 1.00 19.84 A C +ATOM 1456 N GLY A 270 -2.756 97.471 91.415 1.00 22.40 A N +ATOM 1457 CA GLY A 270 -4.166 97.683 91.730 1.00 21.12 A C +ATOM 1458 C GLY A 270 -4.399 98.089 93.177 1.00 19.98 A C +ATOM 1459 O GLY A 270 -3.457 98.536 93.822 1.00 21.39 A O +ATOM 1460 N SER A 271 -5.588 97.894 93.734 1.00 20.10 A N +ATOM 1461 CA SER A 271 -5.852 98.320 95.078 1.00 19.85 A C +ATOM 1462 C SER A 271 -5.746 97.450 96.308 1.00 21.40 A C +ATOM 1463 O SER A 271 -5.972 97.997 97.407 1.00 22.31 A O +ATOM 1464 CB SER A 271 -7.238 98.989 95.030 1.00 20.43 A C +ATOM 1465 OG SER A 271 -8.335 98.305 94.403 1.00 19.55 A O +ATOM 1466 N ALA A 272 -5.345 96.166 96.253 1.00 22.31 A N +ATOM 1467 CA ALA A 272 -5.279 95.343 97.458 1.00 22.68 A C +ATOM 1468 C ALA A 272 -4.180 95.862 98.373 1.00 22.99 A C +ATOM 1469 O ALA A 272 -3.128 96.268 97.903 1.00 21.33 A O +ATOM 1470 CB ALA A 272 -5.026 93.908 97.057 1.00 22.04 A C +ATOM 1471 N GLN A 273 -4.374 95.861 99.682 1.00 24.43 A N +ATOM 1472 CA GLN A 273 -3.372 96.413 100.582 1.00 26.37 A C +ATOM 1473 C GLN A 273 -2.483 95.409 101.231 1.00 27.25 A C +ATOM 1474 O GLN A 273 -1.429 95.772 101.762 1.00 28.55 A O +ATOM 1475 CB GLN A 273 -3.957 97.184 101.753 1.00 27.20 A C +ATOM 1476 CG GLN A 273 -4.778 98.340 101.273 1.00 30.02 A C +ATOM 1477 CD GLN A 273 -4.059 99.667 101.205 1.00 31.44 A C +ATOM 1478 NE2 GLN A 273 -3.641 99.998 99.987 1.00 32.54 A N +ATOM 1479 OE1 GLN A 273 -3.872 100.371 102.201 1.00 31.51 A O +ATOM 1480 N HIS A 274 -2.970 94.179 101.328 1.00 26.49 A N +ATOM 1481 CA HIS A 274 -2.218 93.100 101.937 1.00 25.01 A C +ATOM 1482 C HIS A 274 -2.757 91.866 101.258 1.00 24.43 A C +ATOM 1483 O HIS A 274 -3.958 91.801 101.013 1.00 25.76 A O +ATOM 1484 CB HIS A 274 -2.500 93.006 103.371 1.00 24.78 A C +ATOM 1485 CG HIS A 274 -1.393 92.288 104.099 1.00 25.33 A C +ATOM 1486 CD2 HIS A 274 -1.573 91.183 104.882 1.00 24.83 A C +ATOM 1487 ND1 HIS A 274 -0.121 92.637 104.189 1.00 25.80 A N +ATOM 1488 CE1 HIS A 274 0.469 91.803 105.005 1.00 25.85 A C +ATOM 1489 NE2 HIS A 274 -0.416 90.936 105.415 1.00 25.79 A N +ATOM 1490 N VAL A 275 -1.922 90.928 100.857 1.00 22.04 A N +ATOM 1491 CA VAL A 275 -2.345 89.719 100.202 1.00 18.48 A C +ATOM 1492 C VAL A 275 -1.602 88.534 100.806 1.00 18.43 A C +ATOM 1493 O VAL A 275 -0.388 88.502 100.899 1.00 18.35 A O +ATOM 1494 CB VAL A 275 -2.029 89.880 98.747 1.00 17.24 A C +ATOM 1495 CG1 VAL A 275 -2.214 88.578 98.011 1.00 14.61 A C +ATOM 1496 CG2 VAL A 275 -2.935 90.960 98.190 1.00 16.00 A C +ATOM 1497 N GLU A 276 -2.273 87.582 101.401 1.00 18.36 A N +ATOM 1498 CA GLU A 276 -1.619 86.400 101.932 1.00 16.37 A C +ATOM 1499 C GLU A 276 -2.497 85.257 101.417 1.00 16.48 A C +ATOM 1500 O GLU A 276 -3.544 85.501 100.784 1.00 17.74 A O +ATOM 1501 CB GLU A 276 -1.634 86.418 103.423 1.00 15.91 A C +ATOM 1502 CG GLU A 276 -0.658 87.414 103.944 1.00 15.12 A C +ATOM 1503 CD GLU A 276 -0.317 87.193 105.416 1.00 16.62 A C +ATOM 1504 OE1 GLU A 276 -1.176 86.777 106.189 1.00 17.02 A O +ATOM 1505 OE2 GLU A 276 0.822 87.437 105.808 1.00 16.74 A O1- +ATOM 1506 N GLU A 277 -2.033 84.019 101.522 1.00 13.36 A N +ATOM 1507 CA GLU A 277 -2.769 82.818 101.142 1.00 10.99 A C +ATOM 1508 C GLU A 277 -3.755 82.808 99.979 1.00 11.51 A C +ATOM 1509 O GLU A 277 -4.924 82.437 100.132 1.00 10.69 A O +ATOM 1510 CB GLU A 277 -3.444 82.351 102.432 1.00 7.81 A C +ATOM 1511 CG GLU A 277 -2.320 81.887 103.305 1.00 6.31 A C +ATOM 1512 CD GLU A 277 -2.656 81.713 104.777 1.00 8.38 A C +ATOM 1513 OE1 GLU A 277 -3.668 82.194 105.253 1.00 7.68 A O +ATOM 1514 OE2 GLU A 277 -1.871 81.073 105.464 1.00 10.01 A O1- +ATOM 1515 N CYS A 278 -3.381 83.233 98.781 1.00 11.77 A N +ATOM 1516 CA CYS A 278 -4.379 83.187 97.741 1.00 13.07 A C +ATOM 1517 C CYS A 278 -4.988 81.837 97.375 1.00 14.21 A C +ATOM 1518 O CYS A 278 -4.274 80.838 97.353 1.00 16.63 A O +ATOM 1519 CB CYS A 278 -3.824 83.768 96.471 1.00 13.37 A C +ATOM 1520 SG CYS A 278 -3.610 85.540 96.761 1.00 15.49 A S +ATOM 1521 N SER A 279 -6.306 81.793 97.123 1.00 15.71 A N +ATOM 1522 CA SER A 279 -7.090 80.639 96.693 1.00 13.97 A C +ATOM 1523 C SER A 279 -7.322 81.045 95.254 1.00 15.10 A C +ATOM 1524 O SER A 279 -8.152 81.903 94.972 1.00 17.24 A O +ATOM 1525 CB SER A 279 -8.375 80.588 97.507 1.00 14.11 A C +ATOM 1526 OG SER A 279 -7.970 80.182 98.825 1.00 13.14 A O +ATOM 1527 N CYS A 280 -6.598 80.494 94.301 1.00 14.67 A N +ATOM 1528 CA CYS A 280 -6.702 80.873 92.906 1.00 14.55 A C +ATOM 1529 C CYS A 280 -7.390 79.872 92.013 1.00 14.70 A C +ATOM 1530 O CYS A 280 -7.395 78.666 92.336 1.00 14.75 A O +ATOM 1531 CB CYS A 280 -5.314 81.135 92.356 1.00 15.64 A C +ATOM 1532 SG CYS A 280 -4.343 82.396 93.216 1.00 18.00 A S +ATOM 1533 N TYR A 281 -7.956 80.294 90.867 1.00 12.11 A N +ATOM 1534 CA TYR A 281 -8.645 79.320 90.054 1.00 13.38 A C +ATOM 1535 C TYR A 281 -8.589 79.707 88.591 1.00 14.49 A C +ATOM 1536 O TYR A 281 -8.490 80.903 88.351 1.00 14.48 A O +ATOM 1537 CB TYR A 281 -10.125 79.204 90.568 1.00 11.40 A C +ATOM 1538 CG TYR A 281 -10.975 80.480 90.659 1.00 10.51 A C +ATOM 1539 CD1 TYR A 281 -11.621 80.924 89.524 1.00 9.61 A C +ATOM 1540 CD2 TYR A 281 -11.139 81.176 91.857 1.00 10.54 A C +ATOM 1541 CE1 TYR A 281 -12.425 82.043 89.562 1.00 9.83 A C +ATOM 1542 CE2 TYR A 281 -11.946 82.303 91.896 1.00 10.50 A C +ATOM 1543 CZ TYR A 281 -12.585 82.726 90.738 1.00 11.06 A C +ATOM 1544 OH TYR A 281 -13.401 83.866 90.717 1.00 12.54 A O +ATOM 1545 N PRO A 282 -8.559 78.810 87.609 1.00 17.10 A N +ATOM 1546 CA PRO A 282 -8.573 79.136 86.193 1.00 19.06 A C +ATOM 1547 C PRO A 282 -9.831 79.836 85.752 1.00 21.90 A C +ATOM 1548 O PRO A 282 -10.942 79.311 85.929 1.00 24.27 A O +ATOM 1549 CB PRO A 282 -8.404 77.823 85.469 1.00 18.49 A C +ATOM 1550 CG PRO A 282 -8.942 76.797 86.440 1.00 17.75 A C +ATOM 1551 CD PRO A 282 -8.522 77.362 87.793 1.00 18.02 A C +ATOM 1552 N ARG A 283 -9.661 80.977 85.108 1.00 23.06 A N +ATOM 1553 CA ARG A 283 -10.802 81.712 84.636 1.00 23.23 A C +ATOM 1554 C ARG A 283 -10.353 82.169 83.272 1.00 22.32 A C +ATOM 1555 O ARG A 283 -10.142 83.348 83.040 1.00 21.93 A O +ATOM 1556 CB ARG A 283 -11.032 82.854 85.600 1.00 25.37 A C +ATOM 1557 CG ARG A 283 -12.497 83.182 85.557 1.00 28.30 A C +ATOM 1558 CD ARG A 283 -12.691 84.438 86.342 1.00 30.73 A C +ATOM 1559 NE ARG A 283 -12.647 85.491 85.359 1.00 33.86 A N +ATOM 1560 CZ ARG A 283 -13.766 85.966 84.804 1.00 34.94 A C +ATOM 1561 NH1 ARG A 283 -14.981 85.586 85.227 1.00 35.07 A N1+ +ATOM 1562 NH2 ARG A 283 -13.645 86.917 83.881 1.00 35.77 A N +ATOM 1563 N TYR A 284 -10.131 81.249 82.354 1.00 22.94 A N +ATOM 1564 CA TYR A 284 -9.644 81.510 81.012 1.00 22.94 A C +ATOM 1565 C TYR A 284 -9.967 82.835 80.352 1.00 22.72 A C +ATOM 1566 O TYR A 284 -11.146 83.142 80.215 1.00 24.79 A O +ATOM 1567 CB TYR A 284 -10.117 80.388 80.122 1.00 23.79 A C +ATOM 1568 CG TYR A 284 -9.311 80.321 78.842 1.00 25.04 A C +ATOM 1569 CD1 TYR A 284 -8.008 79.863 78.854 1.00 25.79 A C +ATOM 1570 CD2 TYR A 284 -9.875 80.753 77.674 1.00 25.54 A C +ATOM 1571 CE1 TYR A 284 -7.251 79.839 77.705 1.00 26.26 A C +ATOM 1572 CE2 TYR A 284 -9.129 80.727 76.520 1.00 26.69 A C +ATOM 1573 CZ TYR A 284 -7.831 80.275 76.547 1.00 26.85 A C +ATOM 1574 OH TYR A 284 -7.128 80.288 75.373 1.00 28.11 A O +ATOM 1575 N PRO A 285 -9.009 83.630 79.854 1.00 21.57 A N +ATOM 1576 CA PRO A 285 -7.603 83.298 79.797 1.00 20.89 A C +ATOM 1577 C PRO A 285 -6.840 83.755 81.008 1.00 19.94 A C +ATOM 1578 O PRO A 285 -5.622 83.881 80.928 1.00 21.19 A O +ATOM 1579 CB PRO A 285 -7.117 83.933 78.538 1.00 20.29 A C +ATOM 1580 CG PRO A 285 -7.848 85.229 78.649 1.00 20.71 A C +ATOM 1581 CD PRO A 285 -9.253 84.808 79.053 1.00 20.83 A C +ATOM 1582 N GLY A 286 -7.496 84.013 82.116 1.00 19.08 A N +ATOM 1583 CA GLY A 286 -6.767 84.471 83.270 1.00 17.50 A C +ATOM 1584 C GLY A 286 -6.857 83.455 84.365 1.00 17.07 A C +ATOM 1585 O GLY A 286 -7.279 82.313 84.159 1.00 17.30 A O +ATOM 1586 N VAL A 287 -6.489 83.935 85.537 1.00 13.43 A N +ATOM 1587 CA VAL A 287 -6.484 83.153 86.752 1.00 12.37 A C +ATOM 1588 C VAL A 287 -7.046 84.174 87.735 1.00 11.81 A C +ATOM 1589 O VAL A 287 -6.680 85.348 87.581 1.00 12.05 A O +ATOM 1590 CB VAL A 287 -5.013 82.755 87.095 1.00 11.45 A C +ATOM 1591 CG1 VAL A 287 -4.919 82.074 88.469 1.00 10.54 A C +ATOM 1592 CG2 VAL A 287 -4.485 81.835 86.021 1.00 9.91 A C +ATOM 1593 N ARG A 288 -7.903 83.864 88.712 1.00 11.21 A N +ATOM 1594 CA ARG A 288 -8.352 84.885 89.599 1.00 11.13 A C +ATOM 1595 C ARG A 288 -8.081 84.319 90.994 1.00 11.63 A C +ATOM 1596 O ARG A 288 -8.212 83.097 91.191 1.00 12.41 A O +ATOM 1597 CB ARG A 288 -9.823 85.140 89.251 1.00 14.65 A C +ATOM 1598 CG ARG A 288 -10.598 85.831 90.368 1.00 16.58 A C +ATOM 1599 CD ARG A 288 -11.210 87.144 89.936 1.00 19.68 A C +ATOM 1600 NE ARG A 288 -12.415 86.987 89.165 1.00 21.93 A N +ATOM 1601 CZ ARG A 288 -12.721 87.710 88.069 1.00 23.70 A C +ATOM 1602 NH1 ARG A 288 -11.917 88.596 87.486 1.00 23.68 A N1+ +ATOM 1603 NH2 ARG A 288 -13.889 87.479 87.471 1.00 24.39 A N +ATOM 1604 N CYS A 289 -7.710 85.144 91.974 1.00 11.37 A N +ATOM 1605 CA CYS A 289 -7.413 84.669 93.306 1.00 12.29 A C +ATOM 1606 C CYS A 289 -8.156 85.436 94.371 1.00 12.56 A C +ATOM 1607 O CYS A 289 -8.309 86.650 94.211 1.00 14.21 A O +ATOM 1608 CB CYS A 289 -5.914 84.802 93.589 1.00 15.34 A C +ATOM 1609 SG CYS A 289 -4.820 84.129 92.293 1.00 17.18 A S +ATOM 1610 N ILE A 290 -8.678 84.817 95.442 1.00 8.87 A N +ATOM 1611 CA ILE A 290 -9.383 85.552 96.490 1.00 7.78 A C +ATOM 1612 C ILE A 290 -8.400 85.218 97.603 1.00 9.42 A C +ATOM 1613 O ILE A 290 -8.053 84.034 97.786 1.00 9.29 A O +ATOM 1614 CB ILE A 290 -10.815 84.981 96.699 1.00 5.34 A C +ATOM 1615 CG1 ILE A 290 -11.800 85.780 95.884 1.00 2.42 A C +ATOM 1616 CG2 ILE A 290 -11.281 85.169 98.165 1.00 2.00 A C +ATOM 1617 CD1 ILE A 290 -11.629 85.667 94.316 1.00 4.63 A C +ATOM 1618 N CYS A 291 -7.869 86.236 98.288 1.00 9.64 A N +ATOM 1619 CA CYS A 291 -6.820 85.976 99.267 1.00 9.89 A C +ATOM 1620 C CYS A 291 -7.150 86.381 100.665 1.00 10.13 A C +ATOM 1621 O CYS A 291 -8.333 86.526 100.951 1.00 7.17 A O +ATOM 1622 CB CYS A 291 -5.580 86.678 98.779 1.00 10.09 A C +ATOM 1623 SG CYS A 291 -5.399 86.432 96.980 1.00 14.21 A S +ATOM 1624 N ARG A 292 -6.167 86.525 101.548 1.00 10.49 A N +ATOM 1625 CA ARG A 292 -6.417 86.909 102.917 1.00 12.37 A C +ATOM 1626 C ARG A 292 -5.786 88.279 103.136 1.00 15.72 A C +ATOM 1627 O ARG A 292 -4.638 88.478 102.707 1.00 18.46 A O +ATOM 1628 CB ARG A 292 -5.773 85.915 103.794 1.00 10.93 A C +ATOM 1629 CG ARG A 292 -5.691 86.229 105.264 1.00 11.15 A C +ATOM 1630 CD ARG A 292 -4.751 85.158 105.796 1.00 11.71 A C +ATOM 1631 NE ARG A 292 -4.477 85.392 107.191 1.00 14.83 A N +ATOM 1632 CZ ARG A 292 -4.149 84.432 108.048 1.00 16.20 A C +ATOM 1633 NH1 ARG A 292 -4.119 83.147 107.737 1.00 17.01 A N1+ +ATOM 1634 NH2 ARG A 292 -3.911 84.782 109.300 1.00 16.82 A N +ATOM 1635 N ASP A 293 -6.486 89.279 103.683 1.00 16.94 A N +ATOM 1636 CA ASP A 293 -5.912 90.583 103.991 1.00 16.84 A C +ATOM 1637 C ASP A 293 -5.880 90.458 105.516 1.00 17.82 A C +ATOM 1638 O ASP A 293 -6.874 90.388 106.305 1.00 16.60 A O +ATOM 1639 CB ASP A 293 -6.801 91.728 103.628 1.00 16.35 A C +ATOM 1640 CG ASP A 293 -6.291 93.138 103.965 1.00 18.27 A C +ATOM 1641 OD1 ASP A 293 -5.733 93.398 105.046 1.00 18.50 A O +ATOM 1642 OD2 ASP A 293 -6.521 94.028 103.142 1.00 18.61 A O1- +ATOM 1643 N ASN A 294 -4.593 90.411 105.875 1.00 18.80 A N +ATOM 1644 CA ASN A 294 -4.172 90.268 107.272 1.00 19.77 A C +ATOM 1645 C ASN A 294 -3.889 91.520 108.085 1.00 20.60 A C +ATOM 1646 O ASN A 294 -3.692 91.495 109.296 1.00 20.90 A O +ATOM 1647 CB ASN A 294 -2.959 89.380 107.273 1.00 17.84 A C +ATOM 1648 CG ASN A 294 -2.829 88.641 108.578 1.00 17.12 A C +ATOM 1649 ND2 ASN A 294 -1.897 88.997 109.439 1.00 16.06 A N +ATOM 1650 OD1 ASN A 294 -3.594 87.718 108.831 1.00 16.59 A O +ATOM 1651 N TRP A 295 -3.993 92.653 107.397 1.00 22.82 A N +ATOM 1652 CA TRP A 295 -3.715 93.949 108.003 1.00 23.70 A C +ATOM 1653 C TRP A 295 -4.975 94.760 108.310 1.00 25.86 A C +ATOM 1654 O TRP A 295 -5.367 94.910 109.466 1.00 25.76 A O +ATOM 1655 CB TRP A 295 -2.769 94.672 107.017 1.00 21.70 A C +ATOM 1656 CG TRP A 295 -2.242 96.057 107.359 1.00 21.39 A C +ATOM 1657 CD1 TRP A 295 -2.118 96.519 108.649 1.00 21.77 A C +ATOM 1658 CD2 TRP A 295 -1.794 96.979 106.451 1.00 21.24 A C +ATOM 1659 CE2 TRP A 295 -1.391 98.013 107.261 1.00 20.89 A C +ATOM 1660 CE3 TRP A 295 -1.680 97.079 105.087 1.00 20.91 A C +ATOM 1661 NE1 TRP A 295 -1.591 97.721 108.541 1.00 21.32 A N +ATOM 1662 CZ2 TRP A 295 -0.865 99.155 106.754 1.00 21.49 A C +ATOM 1663 CZ3 TRP A 295 -1.157 98.223 104.559 1.00 20.88 A C +ATOM 1664 CH2 TRP A 295 -0.754 99.247 105.385 1.00 21.88 A C +ATOM 1665 N LYS A 296 -5.610 95.276 107.247 1.00 27.46 A N +ATOM 1666 CA LYS A 296 -6.782 96.133 107.340 1.00 29.10 A C +ATOM 1667 C LYS A 296 -8.126 95.628 106.857 1.00 29.96 A C +ATOM 1668 O LYS A 296 -9.067 96.411 106.781 1.00 31.13 A O +ATOM 1669 CB LYS A 296 -6.467 97.395 106.575 1.00 30.53 A C +ATOM 1670 CG LYS A 296 -5.439 98.353 107.172 1.00 32.33 A C +ATOM 1671 CD LYS A 296 -5.000 99.052 105.910 1.00 33.52 A C +ATOM 1672 CE LYS A 296 -4.299 100.365 106.117 1.00 33.86 A C +ATOM 1673 NZ LYS A 296 -4.126 100.908 104.783 1.00 34.60 A N1+ +ATOM 1674 N GLY A 297 -8.324 94.365 106.543 1.00 30.14 A N +ATOM 1675 CA GLY A 297 -9.623 93.963 106.028 1.00 29.96 A C +ATOM 1676 C GLY A 297 -10.109 92.602 106.486 1.00 28.96 A C +ATOM 1677 O GLY A 297 -9.381 91.669 106.920 1.00 28.90 A O +ATOM 1678 N SER A 298 -11.426 92.749 106.541 1.00 28.36 A N +ATOM 1679 CA SER A 298 -12.415 91.753 106.860 1.00 25.91 A C +ATOM 1680 C SER A 298 -12.882 91.387 105.471 1.00 25.19 A C +ATOM 1681 O SER A 298 -13.392 90.287 105.336 1.00 27.10 A O +ATOM 1682 CB SER A 298 -13.578 92.330 107.535 1.00 27.05 A C +ATOM 1683 OG SER A 298 -13.681 92.248 108.933 1.00 28.97 A O +ATOM 1684 N ASN A 299 -12.904 92.247 104.447 1.00 23.69 A N +ATOM 1685 CA ASN A 299 -13.311 91.802 103.125 1.00 21.91 A C +ATOM 1686 C ASN A 299 -12.036 91.195 102.559 1.00 22.02 A C +ATOM 1687 O ASN A 299 -10.928 91.503 103.022 1.00 23.99 A O +ATOM 1688 CB ASN A 299 -13.825 92.945 102.213 1.00 22.52 A C +ATOM 1689 CG ASN A 299 -13.135 94.306 102.209 1.00 23.54 A C +ATOM 1690 ND2 ASN A 299 -13.203 95.039 101.096 1.00 20.69 A N +ATOM 1691 OD1 ASN A 299 -12.540 94.713 103.217 1.00 22.57 A O +ATOM 1692 N ARG A 300 -12.130 90.287 101.597 1.00 20.26 A N +ATOM 1693 CA ARG A 300 -10.993 89.600 101.028 1.00 18.16 A C +ATOM 1694 C ARG A 300 -10.540 90.251 99.735 1.00 15.98 A C +ATOM 1695 O ARG A 300 -11.412 90.646 98.957 1.00 15.79 A O +ATOM 1696 CB ARG A 300 -11.335 88.136 100.710 1.00 19.87 A C +ATOM 1697 CG ARG A 300 -12.309 87.399 101.642 1.00 21.38 A C +ATOM 1698 CD ARG A 300 -12.288 85.879 101.423 1.00 21.49 A C +ATOM 1699 NE ARG A 300 -11.024 85.459 101.954 1.00 23.20 A N +ATOM 1700 CZ ARG A 300 -10.874 84.969 103.175 1.00 22.79 A C +ATOM 1701 NH1 ARG A 300 -11.872 84.694 103.953 1.00 22.00 A N1+ +ATOM 1702 NH2 ARG A 300 -9.672 84.660 103.593 1.00 22.50 A N +ATOM 1703 N PRO A 301 -9.230 90.360 99.465 1.00 14.25 A N +ATOM 1704 CA PRO A 301 -8.630 90.856 98.238 1.00 12.35 A C +ATOM 1705 C PRO A 301 -8.919 90.017 97.048 1.00 13.05 A C +ATOM 1706 O PRO A 301 -9.065 88.826 97.215 1.00 15.03 A O +ATOM 1707 CB PRO A 301 -7.164 90.880 98.474 1.00 12.94 A C +ATOM 1708 CG PRO A 301 -7.001 90.948 99.977 1.00 12.54 A C +ATOM 1709 CD PRO A 301 -8.173 90.153 100.458 1.00 13.50 A C +ATOM 1710 N VAL A 302 -8.839 90.533 95.845 1.00 12.92 A N +ATOM 1711 CA VAL A 302 -9.079 89.787 94.642 1.00 12.37 A C +ATOM 1712 C VAL A 302 -7.797 90.068 93.884 1.00 15.60 A C +ATOM 1713 O VAL A 302 -7.425 91.254 93.832 1.00 16.22 A O +ATOM 1714 CB VAL A 302 -10.220 90.398 93.888 1.00 13.78 A C +ATOM 1715 CG1 VAL A 302 -10.377 89.770 92.506 1.00 11.87 A C +ATOM 1716 CG2 VAL A 302 -11.434 90.270 94.772 1.00 13.75 A C +ATOM 1717 N VAL A 303 -7.057 89.115 93.314 1.00 16.17 A N +ATOM 1718 CA VAL A 303 -5.871 89.423 92.547 1.00 16.96 A C +ATOM 1719 C VAL A 303 -6.196 88.887 91.161 1.00 17.34 A C +ATOM 1720 O VAL A 303 -6.649 87.751 91.117 1.00 17.87 A O +ATOM 1721 CB VAL A 303 -4.652 88.706 93.129 1.00 18.19 A C +ATOM 1722 CG1 VAL A 303 -3.539 88.975 92.124 1.00 18.48 A C +ATOM 1723 CG2 VAL A 303 -4.231 89.184 94.544 1.00 16.34 A C +ATOM 1724 N ASP A 304 -5.998 89.600 90.056 1.00 18.61 A N +ATOM 1725 CA ASP A 304 -6.296 89.155 88.708 1.00 20.34 A C +ATOM 1726 C ASP A 304 -4.993 89.162 87.967 1.00 21.33 A C +ATOM 1727 O ASP A 304 -4.348 90.216 87.905 1.00 21.44 A O +ATOM 1728 CB ASP A 304 -7.246 90.096 87.979 1.00 23.06 A C +ATOM 1729 CG ASP A 304 -8.708 89.719 88.233 1.00 25.76 A C +ATOM 1730 OD1 ASP A 304 -9.028 88.528 88.268 1.00 26.11 A O +ATOM 1731 OD2 ASP A 304 -9.537 90.614 88.413 1.00 27.96 A O1- +ATOM 1732 N ILE A 305 -4.641 88.005 87.397 1.00 21.22 A N +ATOM 1733 CA ILE A 305 -3.387 87.766 86.682 1.00 20.71 A C +ATOM 1734 C ILE A 305 -3.638 87.644 85.182 1.00 21.47 A C +ATOM 1735 O ILE A 305 -4.429 86.798 84.779 1.00 21.82 A O +ATOM 1736 CB ILE A 305 -2.818 86.482 87.339 1.00 18.99 A C +ATOM 1737 CG1 ILE A 305 -2.372 86.846 88.729 1.00 18.48 A C +ATOM 1738 CG2 ILE A 305 -1.677 85.876 86.560 1.00 19.25 A C +ATOM 1739 CD1 ILE A 305 -2.460 85.685 89.746 1.00 19.43 A C +ATOM 1740 N ASN A 306 -3.014 88.409 84.295 1.00 23.02 A N +ATOM 1741 CA ASN A 306 -3.259 88.296 82.855 1.00 24.44 A C +ATOM 1742 C ASN A 306 -2.157 87.364 82.415 1.00 26.09 A C +ATOM 1743 O ASN A 306 -0.977 87.730 82.383 1.00 25.76 A O +ATOM 1744 CB ASN A 306 -3.123 89.664 82.139 1.00 25.24 A C +ATOM 1745 CG ASN A 306 -3.271 89.603 80.608 1.00 27.41 A C +ATOM 1746 ND2 ASN A 306 -4.101 90.336 79.859 1.00 27.44 A N +ATOM 1747 OD1 ASN A 306 -2.569 88.844 79.945 1.00 29.13 A O +ATOM 1748 N MET A 307 -2.503 86.155 82.012 1.00 28.07 A N +ATOM 1749 CA MET A 307 -1.481 85.221 81.619 1.00 29.77 A C +ATOM 1750 C MET A 307 -0.740 85.634 80.380 1.00 32.17 A C +ATOM 1751 O MET A 307 0.394 85.193 80.226 1.00 33.70 A O +ATOM 1752 CB MET A 307 -2.075 83.841 81.408 1.00 29.09 A C +ATOM 1753 CG MET A 307 -2.598 83.213 82.687 1.00 28.21 A C +ATOM 1754 SD MET A 307 -1.368 83.032 83.997 1.00 28.86 A S +ATOM 1755 CE MET A 307 -0.493 81.669 83.295 1.00 28.54 A C +ATOM 1756 N GLU A 308 -1.291 86.504 79.531 1.00 35.09 A N +ATOM 1757 CA GLU A 308 -0.623 86.947 78.309 1.00 38.09 A C +ATOM 1758 C GLU A 308 0.318 88.163 78.472 1.00 38.43 A C +ATOM 1759 O GLU A 308 1.345 88.256 77.808 1.00 38.89 A O +ATOM 1760 CB GLU A 308 -1.712 87.239 77.290 1.00 40.16 A C +ATOM 1761 CG GLU A 308 -2.580 86.010 77.009 1.00 43.20 A C +ATOM 1762 CD GLU A 308 -4.006 86.305 76.506 1.00 45.63 A C +ATOM 1763 OE1 GLU A 308 -4.801 86.853 77.298 1.00 46.23 A O +ATOM 1764 OE2 GLU A 308 -4.315 85.974 75.341 1.00 45.95 A O1- +ATOM 1765 N ASP A 309 0.060 89.148 79.327 1.00 39.00 A N +ATOM 1766 CA ASP A 309 0.938 90.299 79.502 1.00 39.18 A C +ATOM 1767 C ASP A 309 1.624 90.188 80.851 1.00 38.16 A C +ATOM 1768 O ASP A 309 2.480 91.015 81.150 1.00 39.39 A O +ATOM 1769 CB ASP A 309 0.318 91.668 79.688 1.00 40.29 A C +ATOM 1770 CG ASP A 309 -0.865 92.128 78.906 1.00 41.78 A C +ATOM 1771 OD1 ASP A 309 -0.765 92.170 77.685 1.00 43.96 A O +ATOM 1772 OD2 ASP A 309 -1.860 92.487 79.528 1.00 41.70 A O1- +ATOM 1773 N TYR A 310 1.243 89.294 81.749 1.00 36.18 A N +ATOM 1774 CA TYR A 310 1.819 89.164 83.074 1.00 35.47 A C +ATOM 1775 C TYR A 310 1.396 90.320 83.975 1.00 34.21 A C +ATOM 1776 O TYR A 310 1.925 90.489 85.079 1.00 34.09 A O +ATOM 1777 CB TYR A 310 3.366 89.097 83.047 1.00 37.01 A C +ATOM 1778 CG TYR A 310 3.927 87.998 82.155 1.00 38.21 A C +ATOM 1779 CD1 TYR A 310 3.402 86.732 82.221 1.00 38.72 A C +ATOM 1780 CD2 TYR A 310 4.986 88.253 81.320 1.00 38.17 A C +ATOM 1781 CE1 TYR A 310 3.922 85.713 81.474 1.00 38.91 A C +ATOM 1782 CE2 TYR A 310 5.516 87.236 80.569 1.00 38.83 A C +ATOM 1783 CZ TYR A 310 4.984 85.969 80.658 1.00 38.98 A C +ATOM 1784 OH TYR A 310 5.551 84.914 79.971 1.00 39.54 A O +ATOM 1785 N SER A 311 0.378 91.071 83.541 1.00 32.54 A N +ATOM 1786 CA SER A 311 -0.205 92.218 84.256 1.00 31.15 A C +ATOM 1787 C SER A 311 -0.968 91.701 85.452 1.00 30.34 A C +ATOM 1788 O SER A 311 -1.620 90.656 85.389 1.00 30.40 A O +ATOM 1789 CB SER A 311 -1.240 92.975 83.444 1.00 30.85 A C +ATOM 1790 OG SER A 311 -1.136 92.726 82.045 1.00 30.24 A O +ATOM 1791 N ILE A 312 -0.918 92.449 86.519 1.00 28.96 A N +ATOM 1792 CA ILE A 312 -1.601 92.067 87.721 1.00 27.98 A C +ATOM 1793 C ILE A 312 -2.585 93.184 87.972 1.00 28.13 A C +ATOM 1794 O ILE A 312 -2.305 94.322 87.597 1.00 29.43 A O +ATOM 1795 CB ILE A 312 -0.613 91.968 88.883 1.00 27.82 A C +ATOM 1796 CG1 ILE A 312 0.550 91.038 88.560 1.00 27.51 A C +ATOM 1797 CG2 ILE A 312 -1.359 91.464 90.101 1.00 27.47 A C +ATOM 1798 CD1 ILE A 312 0.207 89.615 88.104 1.00 27.73 A C +ATOM 1799 N ASP A 313 -3.759 92.904 88.534 1.00 27.13 A N +ATOM 1800 CA ASP A 313 -4.756 93.894 88.868 1.00 25.01 A C +ATOM 1801 C ASP A 313 -5.288 93.414 90.199 1.00 23.54 A C +ATOM 1802 O ASP A 313 -5.150 92.232 90.496 1.00 23.34 A O +ATOM 1803 CB ASP A 313 -5.854 93.926 87.814 1.00 26.77 A C +ATOM 1804 CG ASP A 313 -6.984 94.947 88.069 1.00 28.29 A C +ATOM 1805 OD1 ASP A 313 -6.763 95.963 88.752 1.00 27.65 A O +ATOM 1806 OD2 ASP A 313 -8.100 94.711 87.568 1.00 29.04 A O1- +ATOM 1807 N SER A 314 -5.846 94.198 91.090 1.00 22.50 A N +ATOM 1808 CA SER A 314 -6.337 93.639 92.356 1.00 22.34 A C +ATOM 1809 C SER A 314 -7.392 94.580 92.923 1.00 21.60 A C +ATOM 1810 O SER A 314 -7.295 95.805 92.693 1.00 21.90 A O +ATOM 1811 CB SER A 314 -5.177 93.460 93.362 1.00 20.74 A C +ATOM 1812 OG SER A 314 -4.685 94.670 93.944 1.00 21.48 A O +ATOM 1813 N SER A 315 -8.355 94.056 93.670 1.00 20.07 A N +ATOM 1814 CA SER A 315 -9.453 94.836 94.236 1.00 19.18 A C +ATOM 1815 C SER A 315 -9.910 94.074 95.429 1.00 19.46 A C +ATOM 1816 O SER A 315 -9.082 93.321 95.963 1.00 19.46 A O +ATOM 1817 CB SER A 315 -10.614 94.945 93.237 1.00 19.00 A C +ATOM 1818 OG SER A 315 -10.798 93.858 92.327 1.00 19.81 A O +ATOM 1819 N TYR A 316 -11.125 94.295 95.933 1.00 19.25 A N +ATOM 1820 CA TYR A 316 -11.661 93.528 97.046 1.00 19.95 A C +ATOM 1821 C TYR A 316 -13.008 92.966 96.574 1.00 21.01 A C +ATOM 1822 O TYR A 316 -13.549 93.395 95.525 1.00 21.35 A O +ATOM 1823 CB TYR A 316 -11.869 94.368 98.268 1.00 18.56 A C +ATOM 1824 CG TYR A 316 -10.588 94.596 99.023 1.00 17.79 A C +ATOM 1825 CD1 TYR A 316 -9.628 95.403 98.474 1.00 17.50 A C +ATOM 1826 CD2 TYR A 316 -10.371 94.000 100.256 1.00 18.48 A C +ATOM 1827 CE1 TYR A 316 -8.446 95.591 99.144 1.00 17.54 A C +ATOM 1828 CE2 TYR A 316 -9.185 94.188 100.947 1.00 18.17 A C +ATOM 1829 CZ TYR A 316 -8.223 94.989 100.364 1.00 18.37 A C +ATOM 1830 OH TYR A 316 -6.973 95.147 100.913 1.00 17.26 A O +ATOM 1831 N VAL A 317 -13.514 91.926 97.249 1.00 21.76 A N +ATOM 1832 CA VAL A 317 -14.790 91.379 96.790 1.00 22.26 A C +ATOM 1833 C VAL A 317 -15.898 92.320 97.219 1.00 21.81 A C +ATOM 1834 O VAL A 317 -15.932 92.763 98.379 1.00 24.60 A O +ATOM 1835 CB VAL A 317 -15.088 89.923 97.323 1.00 23.11 A C +ATOM 1836 CG1 VAL A 317 -14.173 89.003 96.530 1.00 23.67 A C +ATOM 1837 CG2 VAL A 317 -14.698 89.638 98.752 1.00 21.45 A C +ATOM 1838 N CYS A 318 -16.750 92.714 96.278 1.00 20.04 A N +ATOM 1839 CA CYS A 318 -17.863 93.610 96.506 1.00 18.28 A C +ATOM 1840 C CYS A 318 -18.808 93.210 97.589 1.00 17.66 A C +ATOM 1841 O CYS A 318 -19.180 94.113 98.334 1.00 19.05 A O +ATOM 1842 CB CYS A 318 -18.678 93.768 95.268 1.00 18.13 A C +ATOM 1843 SG CYS A 318 -17.794 94.651 93.960 1.00 17.47 A S +ATOM 1844 N SER A 319 -19.233 91.941 97.695 1.00 17.56 A N +ATOM 1845 CA SER A 319 -20.146 91.451 98.713 1.00 16.37 A C +ATOM 1846 C SER A 319 -19.992 92.167 100.028 1.00 16.08 A C +ATOM 1847 O SER A 319 -18.893 92.347 100.530 1.00 14.51 A O +ATOM 1848 CB SER A 319 -19.959 89.923 99.012 1.00 17.91 A C +ATOM 1849 OG SER A 319 -20.275 89.390 100.345 1.00 17.00 A O +ATOM 1850 N GLY A 320 -21.118 92.668 100.504 1.00 16.59 A N +ATOM 1851 CA GLY A 320 -21.152 93.326 101.778 1.00 17.04 A C +ATOM 1852 C GLY A 320 -21.166 92.261 102.824 1.00 17.57 A C +ATOM 1853 O GLY A 320 -20.944 92.574 103.985 1.00 18.07 A O +ATOM 1854 N LEU A 321 -21.446 90.999 102.441 1.00 20.75 A N +ATOM 1855 CA LEU A 321 -21.449 89.889 103.399 1.00 21.00 A C +ATOM 1856 C LEU A 321 -20.008 89.612 103.782 1.00 21.88 A C +ATOM 1857 O LEU A 321 -19.905 89.258 104.945 1.00 24.94 A O +ATOM 1858 CB LEU A 321 -22.175 88.683 102.802 1.00 20.46 A C +ATOM 1859 CG LEU A 321 -23.687 88.877 102.995 1.00 19.89 A C +ATOM 1860 CD1 LEU A 321 -24.486 87.786 102.315 1.00 19.03 A C +ATOM 1861 CD2 LEU A 321 -23.980 88.871 104.479 1.00 18.69 A C +ATOM 1862 N VAL A 322 -18.895 89.615 103.033 1.00 20.71 A N +ATOM 1863 CA VAL A 322 -17.575 89.506 103.705 1.00 20.06 A C +ATOM 1864 C VAL A 322 -17.200 88.197 104.394 1.00 21.28 A C +ATOM 1865 O VAL A 322 -17.655 87.809 105.480 1.00 20.53 A O +ATOM 1866 CB VAL A 322 -17.497 90.809 104.701 1.00 19.34 A C +ATOM 1867 CG1 VAL A 322 -16.575 90.687 105.888 1.00 15.20 A C +ATOM 1868 CG2 VAL A 322 -17.052 91.987 103.856 1.00 17.67 A C +ATOM 1869 N GLY A 323 -16.180 87.588 103.781 1.00 21.73 A N +ATOM 1870 CA GLY A 323 -15.739 86.302 104.276 1.00 21.91 A C +ATOM 1871 C GLY A 323 -14.514 86.174 105.142 1.00 20.55 A C +ATOM 1872 O GLY A 323 -14.119 85.006 105.258 1.00 22.35 A O +ATOM 1873 N ASP A 324 -13.848 87.137 105.768 1.00 18.60 A N +ATOM 1874 CA ASP A 324 -12.693 86.779 106.542 1.00 16.37 A C +ATOM 1875 C ASP A 324 -13.131 86.592 107.972 1.00 16.94 A C +ATOM 1876 O ASP A 324 -14.325 86.757 108.232 1.00 17.05 A O +ATOM 1877 CB ASP A 324 -11.695 87.890 106.366 1.00 18.25 A C +ATOM 1878 CG ASP A 324 -10.192 87.636 106.686 1.00 19.07 A C +ATOM 1879 OD1 ASP A 324 -9.796 86.525 107.076 1.00 19.33 A O +ATOM 1880 OD2 ASP A 324 -9.410 88.581 106.533 1.00 17.97 A O1- +ATOM 1881 N THR A 325 -12.263 86.139 108.885 1.00 15.66 A N +ATOM 1882 CA THR A 325 -12.611 85.985 110.302 1.00 17.38 A C +ATOM 1883 C THR A 325 -11.399 86.605 111.011 1.00 19.58 A C +ATOM 1884 O THR A 325 -10.304 86.183 110.608 1.00 22.53 A O +ATOM 1885 CB THR A 325 -12.755 84.490 110.661 1.00 16.52 A C +ATOM 1886 CG2 THR A 325 -13.214 84.228 112.092 1.00 16.22 A C +ATOM 1887 OG1 THR A 325 -13.696 83.973 109.727 1.00 13.46 A O +ATOM 1888 N PRO A 326 -11.371 87.595 111.932 1.00 20.46 A N +ATOM 1889 CA PRO A 326 -12.511 88.368 112.420 1.00 21.14 A C +ATOM 1890 C PRO A 326 -13.109 89.148 111.293 1.00 23.37 A C +ATOM 1891 O PRO A 326 -12.433 89.418 110.295 1.00 23.50 A O +ATOM 1892 CB PRO A 326 -11.969 89.236 113.492 1.00 20.82 A C +ATOM 1893 CG PRO A 326 -10.863 88.403 114.043 1.00 20.43 A C +ATOM 1894 CD PRO A 326 -10.206 87.960 112.731 1.00 20.92 A C +ATOM 1895 N ARG A 327 -14.396 89.390 111.523 1.00 26.39 A N +ATOM 1896 CA ARG A 327 -15.324 90.059 110.635 1.00 28.54 A C +ATOM 1897 C ARG A 327 -16.254 90.771 111.620 1.00 30.94 A C +ATOM 1898 O ARG A 327 -16.287 90.440 112.812 1.00 29.95 A O +ATOM 1899 CB ARG A 327 -15.962 88.929 109.880 1.00 29.84 A C +ATOM 1900 CG ARG A 327 -17.053 89.065 108.866 1.00 32.24 A C +ATOM 1901 CD ARG A 327 -18.045 87.871 108.892 1.00 33.81 A C +ATOM 1902 NE ARG A 327 -17.425 86.574 108.670 1.00 35.77 A N +ATOM 1903 CZ ARG A 327 -17.899 85.426 109.187 1.00 36.81 A C +ATOM 1904 NH1 ARG A 327 -18.990 85.330 109.950 1.00 36.95 A N1+ +ATOM 1905 NH2 ARG A 327 -17.220 84.316 108.943 1.00 37.99 A N +ATOM 1906 N ASN A 328 -17.088 91.702 111.148 1.00 33.26 A N +ATOM 1907 CA ASN A 328 -17.966 92.445 112.043 1.00 36.08 A C +ATOM 1908 C ASN A 328 -19.287 91.830 112.464 1.00 38.11 A C +ATOM 1909 O ASN A 328 -19.630 91.846 113.650 1.00 40.05 A O +ATOM 1910 CB ASN A 328 -18.262 93.808 111.445 1.00 35.28 A C +ATOM 1911 CG ASN A 328 -17.636 94.967 112.213 1.00 34.96 A C +ATOM 1912 ND2 ASN A 328 -17.844 96.156 111.672 1.00 34.61 A N +ATOM 1913 OD1 ASN A 328 -16.974 94.868 113.251 1.00 33.49 A O +ATOM 1914 N ASP A 329 -20.046 91.362 111.489 1.00 39.09 A N +ATOM 1915 CA ASP A 329 -21.353 90.701 111.571 1.00 40.32 A C +ATOM 1916 C ASP A 329 -22.055 91.405 110.440 1.00 39.66 A C +ATOM 1917 O ASP A 329 -21.832 92.587 110.188 1.00 39.56 A O +ATOM 1918 CB ASP A 329 -22.194 90.845 112.892 1.00 41.28 A C +ATOM 1919 CG ASP A 329 -22.858 92.128 113.366 1.00 43.36 A C +ATOM 1920 OD1 ASP A 329 -23.603 92.732 112.601 1.00 43.88 A O +ATOM 1921 OD2 ASP A 329 -22.665 92.491 114.537 1.00 44.14 A O1- +ATOM 1922 N ASP A 330 -22.936 90.660 109.790 1.00 38.78 A N +ATOM 1923 CA ASP A 330 -23.589 91.149 108.600 1.00 38.25 A C +ATOM 1924 C ASP A 330 -24.396 92.407 108.688 1.00 38.62 A C +ATOM 1925 O ASP A 330 -24.688 93.023 107.673 1.00 37.91 A O +ATOM 1926 CB ASP A 330 -24.455 90.022 108.030 1.00 38.24 A C +ATOM 1927 CG ASP A 330 -23.780 88.659 107.867 1.00 37.27 A C +ATOM 1928 OD1 ASP A 330 -22.566 88.566 107.720 1.00 37.43 A O +ATOM 1929 OD2 ASP A 330 -24.487 87.668 107.881 1.00 37.02 A O1- +ATOM 1930 N ARG A 331 -24.781 92.790 109.891 1.00 39.30 A N +ATOM 1931 CA ARG A 331 -25.562 93.992 110.017 1.00 40.60 A C +ATOM 1932 C ARG A 331 -24.640 95.173 109.756 1.00 38.45 A C +ATOM 1933 O ARG A 331 -24.915 96.049 108.929 1.00 38.02 A O +ATOM 1934 CB ARG A 331 -26.144 94.038 111.414 1.00 44.66 A C +ATOM 1935 CG ARG A 331 -27.512 94.650 111.364 1.00 49.90 A C +ATOM 1936 CD ARG A 331 -28.218 94.437 112.685 1.00 54.58 A C +ATOM 1937 NE ARG A 331 -29.603 94.940 112.601 1.00 58.79 A N +ATOM 1938 CZ ARG A 331 -30.314 95.211 113.726 1.00 60.91 A C +ATOM 1939 NH1 ARG A 331 -29.760 95.025 114.972 1.00 62.26 A N1+ +ATOM 1940 NH2 ARG A 331 -31.597 95.639 113.614 1.00 61.35 A N +ATOM 1941 N SER A 332 -23.504 95.133 110.434 1.00 35.38 A N +ATOM 1942 CA SER A 332 -22.515 96.171 110.346 1.00 33.04 A C +ATOM 1943 C SER A 332 -21.313 95.846 109.499 1.00 32.15 A C +ATOM 1944 O SER A 332 -20.217 96.222 109.930 1.00 32.86 A O +ATOM 1945 CB SER A 332 -22.127 96.474 111.773 1.00 32.84 A C +ATOM 1946 OG SER A 332 -22.044 95.282 112.552 1.00 32.67 A O +ATOM 1947 N SER A 333 -21.381 95.181 108.342 1.00 30.97 A N +ATOM 1948 CA SER A 333 -20.155 94.900 107.638 1.00 28.82 A C +ATOM 1949 C SER A 333 -20.254 95.579 106.295 1.00 28.73 A C +ATOM 1950 O SER A 333 -21.356 95.816 105.794 1.00 29.42 A O +ATOM 1951 CB SER A 333 -19.961 93.376 107.552 1.00 28.40 A C +ATOM 1952 OG SER A 333 -20.888 92.628 106.788 1.00 27.90 A O +ATOM 1953 N ASN A 334 -19.127 95.938 105.661 1.00 26.78 A N +ATOM 1954 CA ASN A 334 -19.184 96.662 104.410 1.00 24.72 A C +ATOM 1955 C ASN A 334 -18.004 96.350 103.538 1.00 22.60 A C +ATOM 1956 O ASN A 334 -16.969 95.931 104.031 1.00 20.37 A O +ATOM 1957 CB ASN A 334 -19.149 98.197 104.623 1.00 24.77 A C +ATOM 1958 CG ASN A 334 -20.254 98.737 105.498 1.00 25.41 A C +ATOM 1959 ND2 ASN A 334 -21.399 98.948 104.866 1.00 24.94 A N +ATOM 1960 OD1 ASN A 334 -20.126 98.897 106.725 1.00 24.42 A O +ATOM 1961 N SER A 335 -18.179 96.594 102.251 1.00 21.39 A N +ATOM 1962 CA SER A 335 -17.124 96.410 101.305 1.00 22.15 A C +ATOM 1963 C SER A 335 -17.557 97.312 100.153 1.00 23.41 A C +ATOM 1964 O SER A 335 -18.749 97.415 99.837 1.00 23.60 A O +ATOM 1965 CB SER A 335 -17.017 94.999 100.782 1.00 22.48 A C +ATOM 1966 OG SER A 335 -15.939 94.985 99.850 1.00 22.48 A O +ATOM 1967 N ASN A 336 -16.600 98.030 99.576 1.00 22.71 A N +ATOM 1968 CA ASN A 336 -16.867 98.906 98.465 1.00 22.66 A C +ATOM 1969 C ASN A 336 -16.149 98.485 97.184 1.00 22.62 A C +ATOM 1970 O ASN A 336 -15.945 99.326 96.289 1.00 23.39 A O +ATOM 1971 CB ASN A 336 -16.444 100.308 98.840 1.00 23.75 A C +ATOM 1972 CG ASN A 336 -14.951 100.559 98.798 1.00 23.95 A C +ATOM 1973 ND2 ASN A 336 -14.550 101.815 98.545 1.00 24.21 A N +ATOM 1974 OD1 ASN A 336 -14.147 99.631 98.980 1.00 23.86 A O +ATOM 1975 N CYS A 337 -15.707 97.219 97.109 1.00 21.61 A N +ATOM 1976 CA CYS A 337 -14.982 96.633 95.989 1.00 20.25 A C +ATOM 1977 C CYS A 337 -13.574 97.197 95.779 1.00 21.81 A C +ATOM 1978 O CYS A 337 -12.747 96.565 95.123 1.00 21.05 A O +ATOM 1979 CB CYS A 337 -15.681 96.810 94.649 1.00 17.29 A C +ATOM 1980 SG CYS A 337 -17.441 96.484 94.792 1.00 16.83 A S +ATOM 1981 N ARG A 338 -13.181 98.307 96.386 1.00 23.48 A N +ATOM 1982 CA ARG A 338 -11.878 98.868 96.129 1.00 24.46 A C +ATOM 1983 C ARG A 338 -10.861 98.924 97.248 1.00 24.42 A C +ATOM 1984 O ARG A 338 -9.715 98.600 96.954 1.00 23.97 A O +ATOM 1985 CB ARG A 338 -12.111 100.245 95.580 1.00 26.14 A C +ATOM 1986 CG ARG A 338 -12.713 100.318 94.169 1.00 29.58 A C +ATOM 1987 CD ARG A 338 -13.565 101.585 93.960 1.00 33.04 A C +ATOM 1988 NE ARG A 338 -12.888 102.669 94.632 1.00 36.99 A N +ATOM 1989 CZ ARG A 338 -13.427 103.428 95.588 1.00 39.40 A C +ATOM 1990 NH1 ARG A 338 -14.719 103.334 95.933 1.00 39.71 A N1+ +ATOM 1991 NH2 ARG A 338 -12.610 104.348 96.135 1.00 41.37 A N +ATOM 1992 N ASN A 339 -11.220 99.189 98.504 1.00 23.73 A N +ATOM 1993 CA ASN A 339 -10.253 99.319 99.592 1.00 25.16 A C +ATOM 1994 C ASN A 339 -10.535 98.337 100.702 1.00 24.04 A C +ATOM 1995 O ASN A 339 -11.623 97.777 100.704 1.00 24.74 A O +ATOM 1996 CB ASN A 339 -10.292 100.749 100.222 1.00 26.08 A C +ATOM 1997 CG ASN A 339 -10.571 101.871 99.224 1.00 27.67 A C +ATOM 1998 ND2 ASN A 339 -9.800 102.027 98.265 1.00 28.28 A N +ATOM 1999 OD1 ASN A 339 -11.593 102.549 99.386 1.00 28.36 A O +ATOM 2000 N PRO A 340 -9.655 98.064 101.666 1.00 24.57 A N +ATOM 2001 CA PRO A 340 -9.962 97.302 102.855 1.00 24.91 A C +ATOM 2002 C PRO A 340 -11.076 97.956 103.593 1.00 25.54 A C +ATOM 2003 O PRO A 340 -11.050 99.151 103.775 1.00 27.18 A O +ATOM 2004 CB PRO A 340 -8.681 97.259 103.679 1.00 24.53 A C +ATOM 2005 CG PRO A 340 -7.869 98.395 103.162 1.00 24.22 A C +ATOM 2006 CD PRO A 340 -8.236 98.392 101.670 1.00 24.47 A C +ATOM 2007 N ASN A 341 -12.027 97.258 104.118 1.00 27.42 A N +ATOM 2008 CA ASN A 341 -13.115 97.891 104.831 1.00 28.86 A C +ATOM 2009 C ASN A 341 -12.711 98.433 106.186 1.00 29.50 A C +ATOM 2010 O ASN A 341 -13.476 99.187 106.796 1.00 30.27 A O +ATOM 2011 CB ASN A 341 -14.264 96.896 105.022 1.00 28.61 A C +ATOM 2012 CG ASN A 341 -14.005 95.659 105.883 1.00 28.23 A C +ATOM 2013 ND2 ASN A 341 -14.997 94.806 105.932 1.00 28.24 A N +ATOM 2014 OD1 ASN A 341 -12.961 95.408 106.493 1.00 27.62 A O +ATOM 2015 N ASN A 342 -11.548 98.056 106.696 1.00 30.05 A N +ATOM 2016 CA ASN A 342 -11.087 98.499 107.990 1.00 31.26 A C +ATOM 2017 C ASN A 342 -11.990 98.061 109.127 1.00 31.42 A C +ATOM 2018 O ASN A 342 -11.962 98.635 110.211 1.00 30.80 A O +ATOM 2019 CB ASN A 342 -10.937 100.028 108.037 1.00 33.21 A C +ATOM 2020 CG ASN A 342 -9.498 100.438 108.260 1.00 34.80 A C +ATOM 2021 ND2 ASN A 342 -8.922 100.990 107.179 1.00 34.93 A N +ATOM 2022 OD1 ASN A 342 -8.908 100.261 109.344 1.00 34.53 A O +ATOM 2023 N GLU A 343 -12.813 97.023 108.940 1.00 31.41 A N +ATOM 2024 CA GLU A 343 -13.677 96.508 110.005 1.00 31.53 A C +ATOM 2025 C GLU A 343 -12.911 95.304 110.496 1.00 31.49 A C +ATOM 2026 O GLU A 343 -12.687 94.442 109.664 1.00 32.24 A O +ATOM 2027 CB GLU A 343 -15.021 96.025 109.492 1.00 31.97 A C +ATOM 2028 CG GLU A 343 -16.058 97.085 109.372 1.00 31.76 A C +ATOM 2029 CD GLU A 343 -16.779 97.163 108.053 1.00 33.00 A C +ATOM 2030 OE1 GLU A 343 -16.910 96.182 107.339 1.00 33.86 A O +ATOM 2031 OE2 GLU A 343 -17.236 98.245 107.725 1.00 35.07 A O1- +ATOM 2032 N ARG A 344 -12.432 95.203 111.737 1.00 31.51 A N +ATOM 2033 CA ARG A 344 -11.669 94.065 112.270 1.00 32.24 A C +ATOM 2034 C ARG A 344 -10.697 93.474 111.260 1.00 33.45 A C +ATOM 2035 O ARG A 344 -10.687 92.296 110.900 1.00 34.63 A O +ATOM 2036 CB ARG A 344 -12.651 93.017 112.751 1.00 31.14 A C +ATOM 2037 CG ARG A 344 -13.438 93.636 113.863 1.00 30.28 A C +ATOM 2038 CD ARG A 344 -14.393 92.662 114.467 1.00 32.09 A C +ATOM 2039 NE ARG A 344 -13.768 91.925 115.551 1.00 34.14 A N +ATOM 2040 CZ ARG A 344 -14.236 90.743 115.977 1.00 34.96 A C +ATOM 2041 NH1 ARG A 344 -15.307 90.144 115.411 1.00 35.47 A N1+ +ATOM 2042 NH2 ARG A 344 -13.593 90.146 116.985 1.00 34.95 A N +ATOM 2043 N GLY A 345 -9.895 94.392 110.726 1.00 34.77 A N +ATOM 2044 CA GLY A 345 -8.911 94.112 109.698 1.00 35.10 A C +ATOM 2045 C GLY A 345 -7.803 93.102 109.972 1.00 35.38 A C +ATOM 2046 O GLY A 345 -7.579 92.182 109.164 1.00 35.76 A O +ATOM 2047 N THR A 346 -7.103 93.332 111.084 1.00 35.61 A N +ATOM 2048 CA THR A 346 -6.011 92.511 111.521 1.00 35.81 A C +ATOM 2049 C THR A 346 -6.403 91.065 111.684 1.00 35.51 A C +ATOM 2050 O THR A 346 -7.545 90.746 111.988 1.00 36.54 A O +ATOM 2051 CB THR A 346 -5.517 93.160 112.802 1.00 36.58 A C +ATOM 2052 CG2 THR A 346 -4.313 92.504 113.436 1.00 37.61 A C +ATOM 2053 OG1 THR A 346 -5.192 94.494 112.416 1.00 37.90 A O +ATOM 2054 N GLN A 347 -5.463 90.189 111.353 1.00 34.81 A N +ATOM 2055 CA GLN A 347 -5.566 88.738 111.387 1.00 33.36 A C +ATOM 2056 C GLN A 347 -6.447 88.239 110.254 1.00 31.41 A C +ATOM 2057 O GLN A 347 -6.915 89.053 109.406 1.00 31.39 A O +ATOM 2058 CB GLN A 347 -6.092 88.272 112.700 1.00 34.76 A C +ATOM 2059 CG GLN A 347 -4.942 88.304 113.669 1.00 37.94 A C +ATOM 2060 CD GLN A 347 -5.468 88.280 115.092 1.00 40.33 A C +ATOM 2061 NE2 GLN A 347 -4.949 89.166 115.937 1.00 41.53 A N +ATOM 2062 OE1 GLN A 347 -6.370 87.511 115.456 1.00 41.76 A O +ATOM 2063 N GLY A 348 -6.709 86.930 110.173 1.00 28.93 A N +ATOM 2064 CA GLY A 348 -7.512 86.417 109.089 1.00 24.85 A C +ATOM 2065 C GLY A 348 -7.470 84.909 109.080 1.00 22.79 A C +ATOM 2066 O GLY A 348 -7.155 84.264 110.088 1.00 21.15 A O +ATOM 2067 N VAL A 349 -7.841 84.356 107.943 1.00 19.93 A N +ATOM 2068 CA VAL A 349 -7.847 82.914 107.805 1.00 18.15 A C +ATOM 2069 C VAL A 349 -7.890 82.687 106.305 1.00 17.69 A C +ATOM 2070 O VAL A 349 -8.418 83.518 105.589 1.00 16.84 A O +ATOM 2071 CB VAL A 349 -9.086 82.358 108.590 1.00 18.77 A C +ATOM 2072 CG1 VAL A 349 -10.379 82.883 107.936 1.00 18.53 A C +ATOM 2073 CG2 VAL A 349 -9.029 80.815 108.682 1.00 17.57 A C +ATOM 2074 N LYS A 350 -7.216 81.688 105.756 1.00 15.78 A N +ATOM 2075 CA LYS A 350 -7.283 81.452 104.323 1.00 13.67 A C +ATOM 2076 C LYS A 350 -8.751 81.133 103.943 1.00 14.13 A C +ATOM 2077 O LYS A 350 -9.443 80.371 104.640 1.00 13.80 A O +ATOM 2078 CB LYS A 350 -6.365 80.270 103.994 1.00 12.24 A C +ATOM 2079 CG LYS A 350 -6.406 79.952 102.518 1.00 10.03 A C +ATOM 2080 CD LYS A 350 -5.493 78.836 102.200 1.00 8.35 A C +ATOM 2081 CE LYS A 350 -5.795 78.398 100.802 1.00 9.31 A C +ATOM 2082 NZ LYS A 350 -5.332 79.328 99.783 1.00 8.29 A N1+ +ATOM 2083 N GLY A 351 -9.230 81.629 102.812 1.00 14.06 A N +ATOM 2084 CA GLY A 351 -10.594 81.386 102.392 1.00 12.08 A C +ATOM 2085 C GLY A 351 -10.665 81.421 100.891 1.00 11.93 A C +ATOM 2086 O GLY A 351 -9.637 81.664 100.249 1.00 12.66 A O +ATOM 2087 N TRP A 352 -11.848 81.250 100.324 1.00 9.49 A N +ATOM 2088 CA TRP A 352 -12.038 81.250 98.876 1.00 8.56 A C +ATOM 2089 C TRP A 352 -13.377 81.955 98.608 1.00 8.29 A C +ATOM 2090 O TRP A 352 -14.155 82.281 99.527 1.00 3.14 A O +ATOM 2091 CB TRP A 352 -12.109 79.767 98.336 1.00 9.51 A C +ATOM 2092 CG TRP A 352 -13.251 78.924 98.949 1.00 9.41 A C +ATOM 2093 CD1 TRP A 352 -13.148 78.379 100.209 1.00 10.13 A C +ATOM 2094 CD2 TRP A 352 -14.485 78.747 98.399 1.00 9.55 A C +ATOM 2095 CE2 TRP A 352 -15.158 78.089 99.417 1.00 10.97 A C +ATOM 2096 CE3 TRP A 352 -15.135 79.067 97.208 1.00 11.39 A C +ATOM 2097 NE1 TRP A 352 -14.328 77.887 100.470 1.00 10.37 A N +ATOM 2098 CZ2 TRP A 352 -16.499 77.751 99.245 1.00 9.54 A C +ATOM 2099 CZ3 TRP A 352 -16.473 78.726 97.035 1.00 10.32 A C +ATOM 2100 CH2 TRP A 352 -17.144 78.076 98.055 1.00 10.62 A C +ATOM 2101 N ALA A 353 -13.704 82.141 97.321 1.00 7.00 A N +ATOM 2102 CA ALA A 353 -14.946 82.708 96.869 1.00 6.78 A C +ATOM 2103 C ALA A 353 -14.849 82.652 95.346 1.00 8.30 A C +ATOM 2104 O ALA A 353 -13.747 82.453 94.841 1.00 9.16 A O +ATOM 2105 CB ALA A 353 -15.060 84.122 97.288 1.00 7.16 A C +ATOM 2106 N PHE A 354 -15.864 82.642 94.521 1.00 12.02 A N +ATOM 2107 CA PHE A 354 -15.636 82.656 93.085 1.00 15.68 A C +ATOM 2108 C PHE A 354 -16.899 83.277 92.538 1.00 19.27 A C +ATOM 2109 O PHE A 354 -17.964 83.308 93.189 1.00 19.53 A O +ATOM 2110 CB PHE A 354 -15.396 81.272 92.508 1.00 16.40 A C +ATOM 2111 CG PHE A 354 -16.524 80.260 92.514 1.00 17.33 A C +ATOM 2112 CD1 PHE A 354 -16.659 79.401 93.596 1.00 17.18 A C +ATOM 2113 CD2 PHE A 354 -17.358 80.144 91.421 1.00 17.34 A C +ATOM 2114 CE1 PHE A 354 -17.651 78.436 93.567 1.00 17.78 A C +ATOM 2115 CE2 PHE A 354 -18.350 79.175 91.400 1.00 17.87 A C +ATOM 2116 CZ PHE A 354 -18.486 78.317 92.468 1.00 16.95 A C +ATOM 2117 N ASP A 355 -16.724 83.826 91.348 1.00 21.87 A N +ATOM 2118 CA ASP A 355 -17.773 84.553 90.689 1.00 24.85 A C +ATOM 2119 C ASP A 355 -18.612 83.739 89.746 1.00 26.62 A C +ATOM 2120 O ASP A 355 -18.172 82.728 89.205 1.00 27.33 A O +ATOM 2121 CB ASP A 355 -17.138 85.743 89.930 1.00 24.62 A C +ATOM 2122 CG ASP A 355 -16.383 85.369 88.668 1.00 25.79 A C +ATOM 2123 OD1 ASP A 355 -15.277 84.852 88.767 1.00 27.26 A O +ATOM 2124 OD2 ASP A 355 -16.899 85.578 87.575 1.00 25.68 A O1- +ATOM 2125 N ASN A 356 -19.828 84.205 89.545 1.00 27.60 A N +ATOM 2126 CA ASN A 356 -20.754 83.573 88.635 1.00 28.63 A C +ATOM 2127 C ASN A 356 -21.588 84.777 88.223 1.00 28.00 A C +ATOM 2128 O ASN A 356 -22.414 85.305 88.972 1.00 27.80 A O +ATOM 2129 CB ASN A 356 -21.588 82.499 89.364 1.00 29.35 A C +ATOM 2130 CG ASN A 356 -22.590 81.908 88.397 1.00 29.60 A C +ATOM 2131 ND2 ASN A 356 -22.182 81.464 87.223 1.00 29.12 A N +ATOM 2132 OD1 ASN A 356 -23.788 81.895 88.656 1.00 31.60 A O +ATOM 2133 N GLY A 357 -21.252 85.302 87.040 1.00 27.89 A N +ATOM 2134 CA GLY A 357 -21.904 86.485 86.492 1.00 26.43 A C +ATOM 2135 C GLY A 357 -21.639 87.659 87.450 1.00 26.26 A C +ATOM 2136 O GLY A 357 -20.490 88.059 87.718 1.00 26.21 A O +ATOM 2137 N ASN A 358 -22.715 88.142 88.072 1.00 24.78 A N +ATOM 2138 CA ASN A 358 -22.582 89.251 88.996 1.00 22.97 A C +ATOM 2139 C ASN A 358 -22.695 88.735 90.405 1.00 23.09 A C +ATOM 2140 O ASN A 358 -22.632 89.468 91.409 1.00 23.32 A O +ATOM 2141 CB ASN A 358 -23.667 90.258 88.776 1.00 23.42 A C +ATOM 2142 CG ASN A 358 -23.536 90.985 87.452 1.00 25.50 A C +ATOM 2143 ND2 ASN A 358 -24.143 90.577 86.347 1.00 25.29 A N +ATOM 2144 OD1 ASN A 358 -22.846 91.994 87.356 1.00 27.12 A O +ATOM 2145 N ASP A 359 -22.914 87.436 90.492 1.00 22.68 A N +ATOM 2146 CA ASP A 359 -23.077 86.754 91.759 1.00 21.69 A C +ATOM 2147 C ASP A 359 -21.765 86.180 92.246 1.00 20.09 A C +ATOM 2148 O ASP A 359 -20.784 86.035 91.514 1.00 17.35 A O +ATOM 2149 CB ASP A 359 -24.126 85.680 91.556 1.00 23.83 A C +ATOM 2150 CG ASP A 359 -25.400 86.264 90.949 1.00 25.19 A C +ATOM 2151 OD1 ASP A 359 -25.978 87.160 91.573 1.00 27.51 A O +ATOM 2152 OD2 ASP A 359 -25.788 85.850 89.855 1.00 25.50 A O1- +ATOM 2153 N LEU A 360 -21.801 85.837 93.528 1.00 18.53 A N +ATOM 2154 CA LEU A 360 -20.640 85.307 94.179 1.00 17.86 A C +ATOM 2155 C LEU A 360 -20.990 84.076 94.996 1.00 17.21 A C +ATOM 2156 O LEU A 360 -22.028 84.079 95.662 1.00 19.70 A O +ATOM 2157 CB LEU A 360 -20.055 86.369 95.102 1.00 18.36 A C +ATOM 2158 CG LEU A 360 -18.733 86.061 95.805 1.00 18.39 A C +ATOM 2159 CD1 LEU A 360 -17.554 86.521 94.951 1.00 18.56 A C +ATOM 2160 CD2 LEU A 360 -18.743 86.742 97.158 1.00 19.01 A C +ATOM 2161 N TRP A 361 -20.211 83.015 94.883 1.00 14.37 A N +ATOM 2162 CA TRP A 361 -20.406 81.818 95.658 1.00 11.99 A C +ATOM 2163 C TRP A 361 -19.309 81.939 96.711 1.00 12.20 A C +ATOM 2164 O TRP A 361 -18.227 82.420 96.403 1.00 8.87 A O +ATOM 2165 CB TRP A 361 -20.207 80.590 94.821 1.00 10.32 A C +ATOM 2166 CG TRP A 361 -21.481 80.186 94.134 1.00 9.21 A C +ATOM 2167 CD1 TRP A 361 -21.644 80.381 92.782 1.00 10.31 A C +ATOM 2168 CD2 TRP A 361 -22.550 79.566 94.726 1.00 8.43 A C +ATOM 2169 CE2 TRP A 361 -23.381 79.375 93.659 1.00 9.33 A C +ATOM 2170 CE3 TRP A 361 -22.922 79.146 95.975 1.00 9.51 A C +ATOM 2171 NE1 TRP A 361 -22.827 79.863 92.527 1.00 9.06 A N +ATOM 2172 CZ2 TRP A 361 -24.612 78.760 93.773 1.00 10.00 A C +ATOM 2173 CZ3 TRP A 361 -24.154 78.534 96.111 1.00 10.32 A C +ATOM 2174 CH2 TRP A 361 -24.983 78.332 95.026 1.00 10.62 A C +ATOM 2175 N MET A 362 -19.505 81.604 97.979 1.00 10.65 A N +ATOM 2176 CA MET A 362 -18.423 81.777 98.932 1.00 12.26 A C +ATOM 2177 C MET A 362 -18.667 80.985 100.162 1.00 12.02 A C +ATOM 2178 O MET A 362 -19.764 80.460 100.315 1.00 13.50 A O +ATOM 2179 CB MET A 362 -18.299 83.234 99.301 1.00 11.82 A C +ATOM 2180 CG MET A 362 -19.591 83.986 99.590 1.00 13.57 A C +ATOM 2181 SD MET A 362 -19.212 85.567 100.402 1.00 16.22 A S +ATOM 2182 CE MET A 362 -18.952 85.207 102.142 1.00 11.99 A C +ATOM 2183 N GLY A 363 -17.671 80.915 101.025 1.00 12.38 A N +ATOM 2184 CA GLY A 363 -17.757 80.188 102.264 1.00 11.39 A C +ATOM 2185 C GLY A 363 -17.002 81.035 103.258 1.00 12.58 A C +ATOM 2186 O GLY A 363 -16.223 81.931 102.877 1.00 13.59 A O +ATOM 2187 N ARG A 364 -17.298 80.881 104.519 1.00 10.47 A N +ATOM 2188 CA ARG A 364 -16.605 81.622 105.544 1.00 13.02 A C +ATOM 2189 C ARG A 364 -16.873 80.804 106.785 1.00 13.54 A C +ATOM 2190 O ARG A 364 -17.631 79.836 106.712 1.00 11.23 A O +ATOM 2191 CB ARG A 364 -17.176 83.017 105.759 1.00 13.95 A C +ATOM 2192 CG ARG A 364 -18.676 83.160 105.554 1.00 17.21 A C +ATOM 2193 CD ARG A 364 -19.368 84.005 106.593 1.00 18.10 A C +ATOM 2194 NE ARG A 364 -20.184 84.997 105.903 1.00 21.96 A N +ATOM 2195 CZ ARG A 364 -21.305 85.538 106.383 1.00 21.11 A C +ATOM 2196 NH1 ARG A 364 -21.844 85.251 107.566 1.00 22.61 A N1+ +ATOM 2197 NH2 ARG A 364 -21.907 86.414 105.627 1.00 21.41 A N +ATOM 2198 N THR A 365 -16.275 81.119 107.927 1.00 16.54 A N +ATOM 2199 CA THR A 365 -16.575 80.353 109.123 1.00 19.68 A C +ATOM 2200 C THR A 365 -17.973 80.807 109.603 1.00 22.07 A C +ATOM 2201 O THR A 365 -18.482 81.838 109.142 1.00 23.50 A O +ATOM 2202 CB THR A 365 -15.491 80.650 110.153 1.00 19.90 A C +ATOM 2203 CG2 THR A 365 -14.080 80.294 109.716 1.00 21.68 A C +ATOM 2204 OG1 THR A 365 -15.488 82.045 110.300 1.00 21.78 A O +ATOM 2205 N ILE A 366 -18.710 80.093 110.457 1.00 23.06 A N +ATOM 2206 CA ILE A 366 -20.001 80.623 110.870 1.00 23.83 A C +ATOM 2207 C ILE A 366 -19.716 81.651 111.952 1.00 25.30 A C +ATOM 2208 O ILE A 366 -20.434 82.635 112.084 1.00 27.20 A O +ATOM 2209 CB ILE A 366 -20.922 79.478 111.386 1.00 23.02 A C +ATOM 2210 CG1 ILE A 366 -21.385 78.662 110.176 1.00 21.13 A C +ATOM 2211 CG2 ILE A 366 -22.127 80.023 112.129 1.00 21.79 A C +ATOM 2212 CD1 ILE A 366 -22.310 77.486 110.536 1.00 21.62 A C +ATOM 2213 N SER A 367 -18.694 81.488 112.774 1.00 26.81 A N +ATOM 2214 CA SER A 367 -18.405 82.466 113.805 1.00 27.41 A C +ATOM 2215 C SER A 367 -17.750 83.653 113.113 1.00 28.15 A C +ATOM 2216 O SER A 367 -17.204 83.553 112.025 1.00 28.70 A O +ATOM 2217 CB SER A 367 -17.489 81.808 114.790 1.00 27.20 A C +ATOM 2218 OG SER A 367 -17.234 82.516 115.995 1.00 28.79 A O +ATOM 2219 N LYS A 368 -17.894 84.845 113.667 1.00 29.21 A N +ATOM 2220 CA LYS A 368 -17.253 86.032 113.080 1.00 29.74 A C +ATOM 2221 C LYS A 368 -15.979 86.328 113.882 1.00 29.73 A C +ATOM 2222 O LYS A 368 -15.181 87.206 113.537 1.00 30.49 A O +ATOM 2223 CB LYS A 368 -18.198 87.253 113.135 1.00 29.34 A C +ATOM 2224 CG LYS A 368 -18.658 87.563 114.574 1.00 29.81 A C +ATOM 2225 CD LYS A 368 -19.554 88.777 114.599 1.00 29.71 A C +ATOM 2226 CE LYS A 368 -19.933 89.059 116.029 1.00 30.45 A C +ATOM 2227 NZ LYS A 368 -18.775 89.419 116.829 1.00 31.47 A N1+ +ATOM 2228 N ASP A 369 -15.751 85.578 114.958 1.00 29.75 A N +ATOM 2229 CA ASP A 369 -14.595 85.769 115.799 1.00 30.81 A C +ATOM 2230 C ASP A 369 -13.649 84.591 115.868 1.00 30.14 A C +ATOM 2231 O ASP A 369 -12.442 84.779 115.941 1.00 31.47 A O +ATOM 2232 CB ASP A 369 -14.959 86.034 117.244 1.00 32.28 A C +ATOM 2233 CG ASP A 369 -16.009 87.093 117.497 1.00 34.01 A C +ATOM 2234 OD1 ASP A 369 -15.667 88.267 117.620 1.00 34.23 A O +ATOM 2235 OD2 ASP A 369 -17.176 86.721 117.591 1.00 35.61 A O1- +ATOM 2236 N LEU A 370 -14.173 83.375 115.917 1.00 28.93 A N +ATOM 2237 CA LEU A 370 -13.379 82.173 116.040 1.00 26.97 A C +ATOM 2238 C LEU A 370 -13.439 81.364 114.787 1.00 26.10 A C +ATOM 2239 O LEU A 370 -14.324 81.569 113.961 1.00 26.94 A O +ATOM 2240 CB LEU A 370 -13.946 81.395 117.204 1.00 26.39 A C +ATOM 2241 CG LEU A 370 -13.198 81.324 118.501 1.00 26.18 A C +ATOM 2242 CD1 LEU A 370 -12.497 82.623 118.818 1.00 27.57 A C +ATOM 2243 CD2 LEU A 370 -14.180 80.998 119.561 1.00 26.32 A C +ATOM 2244 N ARG A 371 -12.551 80.400 114.591 1.00 25.84 A N +ATOM 2245 CA ARG A 371 -12.617 79.574 113.371 1.00 24.32 A C +ATOM 2246 C ARG A 371 -13.513 78.385 113.736 1.00 23.47 A C +ATOM 2247 O ARG A 371 -13.020 77.331 114.149 1.00 24.75 A O +ATOM 2248 CB ARG A 371 -11.218 79.115 112.988 1.00 23.05 A C +ATOM 2249 CG ARG A 371 -10.407 80.215 112.390 1.00 23.19 A C +ATOM 2250 CD ARG A 371 -8.965 79.822 112.474 1.00 24.24 A C +ATOM 2251 NE ARG A 371 -8.186 80.686 111.613 1.00 24.81 A N +ATOM 2252 CZ ARG A 371 -6.872 80.560 111.454 1.00 25.85 A C +ATOM 2253 NH1 ARG A 371 -6.148 79.620 112.075 1.00 26.21 A N1+ +ATOM 2254 NH2 ARG A 371 -6.263 81.413 110.650 1.00 25.78 A N +ATOM 2255 N SER A 372 -14.846 78.583 113.752 1.00 21.68 A N +ATOM 2256 CA SER A 372 -15.819 77.543 114.086 1.00 19.22 A C +ATOM 2257 C SER A 372 -16.954 77.530 113.078 1.00 17.19 A C +ATOM 2258 O SER A 372 -17.382 78.600 112.611 1.00 18.05 A O +ATOM 2259 CB SER A 372 -16.373 77.799 115.459 1.00 20.86 A C +ATOM 2260 OG SER A 372 -15.284 77.785 116.378 1.00 23.12 A O +ATOM 2261 N GLY A 373 -17.402 76.349 112.672 1.00 11.83 A N +ATOM 2262 CA GLY A 373 -18.473 76.184 111.722 1.00 9.56 A C +ATOM 2263 C GLY A 373 -18.069 76.634 110.346 1.00 9.08 A C +ATOM 2264 O GLY A 373 -17.060 77.338 110.226 1.00 8.23 A O +ATOM 2265 N TYR A 374 -18.799 76.258 109.303 1.00 8.95 A N +ATOM 2266 CA TYR A 374 -18.405 76.714 108.016 1.00 10.03 A C +ATOM 2267 C TYR A 374 -19.702 76.736 107.223 1.00 12.95 A C +ATOM 2268 O TYR A 374 -20.476 75.791 107.347 1.00 16.13 A O +ATOM 2269 CB TYR A 374 -17.382 75.756 107.465 1.00 7.81 A C +ATOM 2270 CG TYR A 374 -16.722 76.361 106.234 1.00 6.72 A C +ATOM 2271 CD1 TYR A 374 -15.580 77.156 106.415 1.00 6.95 A C +ATOM 2272 CD2 TYR A 374 -17.242 76.152 104.985 1.00 5.79 A C +ATOM 2273 CE1 TYR A 374 -14.938 77.751 105.360 1.00 4.21 A C +ATOM 2274 CE2 TYR A 374 -16.611 76.767 103.908 1.00 4.62 A C +ATOM 2275 CZ TYR A 374 -15.477 77.548 104.117 1.00 5.86 A C +ATOM 2276 OH TYR A 374 -14.836 78.154 103.060 1.00 7.36 A O +ATOM 2277 N GLU A 375 -20.010 77.728 106.386 1.00 15.39 A N +ATOM 2278 CA GLU A 375 -21.268 77.763 105.674 1.00 16.52 A C +ATOM 2279 C GLU A 375 -20.982 78.245 104.263 1.00 17.20 A C +ATOM 2280 O GLU A 375 -19.952 78.911 104.086 1.00 17.96 A O +ATOM 2281 CB GLU A 375 -22.189 78.742 106.417 1.00 19.44 A C +ATOM 2282 CG GLU A 375 -21.639 80.189 106.426 1.00 23.90 A C +ATOM 2283 CD GLU A 375 -22.411 81.260 107.193 1.00 26.45 A C +ATOM 2284 OE1 GLU A 375 -23.613 81.379 106.963 1.00 29.74 A O +ATOM 2285 OE2 GLU A 375 -21.835 81.994 108.010 1.00 27.59 A O1- +ATOM 2286 N THR A 376 -21.718 77.896 103.216 1.00 16.62 A N +ATOM 2287 CA THR A 376 -21.439 78.449 101.915 1.00 17.38 A C +ATOM 2288 C THR A 376 -22.707 79.123 101.383 1.00 17.96 A C +ATOM 2289 O THR A 376 -23.783 78.761 101.867 1.00 19.16 A O +ATOM 2290 CB THR A 376 -20.998 77.374 100.947 1.00 18.69 A C +ATOM 2291 CG2 THR A 376 -19.756 76.718 101.484 1.00 19.64 A C +ATOM 2292 OG1 THR A 376 -22.007 76.386 100.792 1.00 20.41 A O +ATOM 2293 N PHE A 377 -22.715 80.105 100.463 1.00 16.42 A N +ATOM 2294 CA PHE A 377 -23.947 80.684 99.958 1.00 15.12 A C +ATOM 2295 C PHE A 377 -23.675 81.460 98.709 1.00 16.13 A C +ATOM 2296 O PHE A 377 -22.488 81.658 98.374 1.00 17.54 A O +ATOM 2297 CB PHE A 377 -24.585 81.632 100.968 1.00 14.48 A C +ATOM 2298 CG PHE A 377 -23.714 82.605 101.782 1.00 13.40 A C +ATOM 2299 CD1 PHE A 377 -23.256 83.788 101.230 1.00 12.63 A C +ATOM 2300 CD2 PHE A 377 -23.447 82.312 103.111 1.00 13.01 A C +ATOM 2301 CE1 PHE A 377 -22.537 84.663 102.005 1.00 11.78 A C +ATOM 2302 CE2 PHE A 377 -22.733 83.203 103.876 1.00 13.40 A C +ATOM 2303 CZ PHE A 377 -22.285 84.379 103.315 1.00 12.52 A C +ATOM 2304 N LYS A 378 -24.719 81.890 98.016 1.00 15.73 A N +ATOM 2305 CA LYS A 378 -24.537 82.701 96.810 1.00 16.76 A C +ATOM 2306 C LYS A 378 -24.960 84.085 97.255 1.00 17.30 A C +ATOM 2307 O LYS A 378 -25.874 84.208 98.072 1.00 16.79 A O +ATOM 2308 CB LYS A 378 -25.443 82.315 95.699 1.00 15.45 A C +ATOM 2309 CG LYS A 378 -25.143 82.904 94.340 1.00 14.37 A C +ATOM 2310 CD LYS A 378 -26.515 82.657 93.772 1.00 14.85 A C +ATOM 2311 CE LYS A 378 -26.579 81.705 92.621 1.00 16.23 A C +ATOM 2312 NZ LYS A 378 -26.139 82.350 91.394 1.00 18.57 A N1+ +ATOM 2313 N VAL A 379 -24.305 85.155 96.830 1.00 19.21 A N +ATOM 2314 CA VAL A 379 -24.679 86.522 97.211 1.00 19.29 A C +ATOM 2315 C VAL A 379 -25.062 87.115 95.877 1.00 21.26 A C +ATOM 2316 O VAL A 379 -24.262 87.240 94.923 1.00 21.16 A O +ATOM 2317 CB VAL A 379 -23.513 87.339 97.807 1.00 19.21 A C +ATOM 2318 CG1 VAL A 379 -23.963 88.736 98.133 1.00 18.13 A C +ATOM 2319 CG2 VAL A 379 -23.066 86.738 99.129 1.00 18.88 A C +ATOM 2320 N ILE A 380 -26.354 87.404 95.768 1.00 22.55 A N +ATOM 2321 CA ILE A 380 -26.874 87.975 94.546 1.00 23.51 A C +ATOM 2322 C ILE A 380 -26.265 89.362 94.473 1.00 24.03 A C +ATOM 2323 O ILE A 380 -26.257 90.126 95.455 1.00 25.20 A O +ATOM 2324 CB ILE A 380 -28.353 88.032 94.632 1.00 23.09 A C +ATOM 2325 CG1 ILE A 380 -28.964 86.741 95.096 1.00 23.70 A C +ATOM 2326 CG2 ILE A 380 -28.820 88.272 93.205 1.00 24.47 A C +ATOM 2327 CD1 ILE A 380 -30.470 86.944 95.349 1.00 25.64 A C +ATOM 2328 N GLY A 381 -25.589 89.589 93.358 1.00 24.48 A N +ATOM 2329 CA GLY A 381 -24.915 90.870 93.152 1.00 24.40 A C +ATOM 2330 C GLY A 381 -23.528 90.904 93.829 1.00 24.93 A C +ATOM 2331 O GLY A 381 -22.702 91.759 93.499 1.00 24.22 A O +ATOM 2332 N GLY A 382 -23.176 89.918 94.676 1.00 24.26 A N +ATOM 2333 CA GLY A 382 -21.921 89.836 95.408 1.00 22.84 A C +ATOM 2334 C GLY A 382 -20.641 90.069 94.637 1.00 22.75 A C +ATOM 2335 O GLY A 382 -19.645 90.444 95.248 1.00 21.49 A O +ATOM 2336 N TRP A 383 -20.627 89.878 93.333 1.00 22.17 A N +ATOM 2337 CA TRP A 383 -19.422 90.086 92.579 1.00 23.31 A C +ATOM 2338 C TRP A 383 -19.320 91.496 92.036 1.00 24.77 A C +ATOM 2339 O TRP A 383 -18.222 92.052 91.938 1.00 27.05 A O +ATOM 2340 CB TRP A 383 -19.321 89.127 91.362 1.00 23.33 A C +ATOM 2341 CG TRP A 383 -17.991 89.288 90.651 1.00 23.06 A C +ATOM 2342 CD1 TRP A 383 -17.959 89.783 89.381 1.00 23.66 A C +ATOM 2343 CD2 TRP A 383 -16.726 89.093 91.195 1.00 23.45 A C +ATOM 2344 CE2 TRP A 383 -15.891 89.541 90.155 1.00 24.45 A C +ATOM 2345 CE3 TRP A 383 -16.159 88.626 92.378 1.00 23.02 A C +ATOM 2346 NE1 TRP A 383 -16.666 89.932 89.116 1.00 24.82 A N +ATOM 2347 CZ2 TRP A 383 -14.503 89.532 90.286 1.00 23.04 A C +ATOM 2348 CZ3 TRP A 383 -14.776 88.615 92.505 1.00 23.17 A C +ATOM 2349 CH2 TRP A 383 -13.959 89.065 91.472 1.00 22.64 A C +ATOM 2350 N SER A 384 -20.464 92.086 91.712 1.00 24.99 A N +ATOM 2351 CA SER A 384 -20.498 93.399 91.113 1.00 23.57 A C +ATOM 2352 C SER A 384 -21.154 94.521 91.845 1.00 23.01 A C +ATOM 2353 O SER A 384 -20.919 95.648 91.399 1.00 24.22 A O +ATOM 2354 CB SER A 384 -21.179 93.337 89.789 1.00 24.35 A C +ATOM 2355 OG SER A 384 -20.611 92.284 89.051 1.00 25.97 A O +ATOM 2356 N THR A 385 -21.947 94.412 92.887 1.00 20.86 A N +ATOM 2357 CA THR A 385 -22.459 95.647 93.369 1.00 22.00 A C +ATOM 2358 C THR A 385 -21.839 95.910 94.704 1.00 20.70 A C +ATOM 2359 O THR A 385 -21.932 95.062 95.602 1.00 20.82 A O +ATOM 2360 CB THR A 385 -23.995 95.560 93.382 1.00 23.27 A C +ATOM 2361 CG2 THR A 385 -24.527 95.112 92.022 1.00 22.86 A C +ATOM 2362 OG1 THR A 385 -24.401 94.584 94.324 1.00 27.16 A O +ATOM 2363 N PRO A 386 -21.135 97.042 94.839 1.00 19.84 A N +ATOM 2364 CA PRO A 386 -20.598 97.496 96.103 1.00 18.48 A C +ATOM 2365 C PRO A 386 -21.604 97.163 97.194 1.00 18.86 A C +ATOM 2366 O PRO A 386 -22.813 97.337 97.019 1.00 20.80 A O +ATOM 2367 CB PRO A 386 -20.368 98.960 95.839 1.00 17.59 A C +ATOM 2368 CG PRO A 386 -20.504 99.201 94.322 1.00 18.62 A C +ATOM 2369 CD PRO A 386 -20.553 97.818 93.738 1.00 18.48 A C +ATOM 2370 N ASN A 387 -21.180 96.477 98.233 1.00 18.70 A N +ATOM 2371 CA ASN A 387 -22.038 96.116 99.335 1.00 18.30 A C +ATOM 2372 C ASN A 387 -23.253 95.188 99.199 1.00 19.40 A C +ATOM 2373 O ASN A 387 -23.961 95.005 100.196 1.00 19.22 A O +ATOM 2374 CB ASN A 387 -22.466 97.397 99.993 1.00 16.99 A C +ATOM 2375 CG ASN A 387 -22.150 97.293 101.472 1.00 18.23 A C +ATOM 2376 ND2 ASN A 387 -21.332 96.396 101.988 1.00 17.99 A N +ATOM 2377 OD1 ASN A 387 -22.538 98.132 102.283 1.00 17.91 A O +ATOM 2378 N SER A 388 -23.504 94.482 98.083 1.00 19.40 A N +ATOM 2379 CA SER A 388 -24.645 93.577 97.959 1.00 20.13 A C +ATOM 2380 C SER A 388 -24.681 92.585 99.068 1.00 21.15 A C +ATOM 2381 O SER A 388 -23.635 91.998 99.319 1.00 22.71 A O +ATOM 2382 CB SER A 388 -24.622 92.740 96.728 1.00 20.96 A C +ATOM 2383 OG SER A 388 -23.311 92.721 96.176 1.00 22.12 A O +ATOM 2384 N LYS A 389 -25.804 92.411 99.750 1.00 22.63 A N +ATOM 2385 CA LYS A 389 -25.937 91.470 100.849 1.00 22.69 A C +ATOM 2386 C LYS A 389 -27.138 90.553 100.650 1.00 23.29 A C +ATOM 2387 O LYS A 389 -27.641 89.991 101.620 1.00 22.36 A O +ATOM 2388 CB LYS A 389 -26.115 92.194 102.186 1.00 22.17 A C +ATOM 2389 CG LYS A 389 -25.032 93.156 102.579 1.00 21.84 A C +ATOM 2390 CD LYS A 389 -25.217 93.596 104.042 1.00 21.38 A C +ATOM 2391 CE LYS A 389 -24.051 94.518 104.394 1.00 22.35 A C +ATOM 2392 NZ LYS A 389 -23.977 94.724 105.825 1.00 22.94 A N1+ +ATOM 2393 N SER A 390 -27.672 90.368 99.450 1.00 23.62 A N +ATOM 2394 CA SER A 390 -28.797 89.476 99.312 1.00 26.70 A C +ATOM 2395 C SER A 390 -28.208 88.088 99.150 1.00 26.80 A C +ATOM 2396 O SER A 390 -27.567 87.781 98.141 1.00 27.14 A O +ATOM 2397 CB SER A 390 -29.620 89.824 98.074 1.00 28.83 A C +ATOM 2398 OG SER A 390 -30.047 91.193 98.040 1.00 33.33 A O +ATOM 2399 N GLN A 391 -28.439 87.260 100.153 1.00 27.39 A N +ATOM 2400 CA GLN A 391 -27.964 85.881 100.204 1.00 26.95 A C +ATOM 2401 C GLN A 391 -29.024 84.894 99.759 1.00 27.76 A C +ATOM 2402 O GLN A 391 -30.211 85.209 99.914 1.00 29.93 A O +ATOM 2403 CB GLN A 391 -27.582 85.613 101.629 1.00 25.09 A C +ATOM 2404 CG GLN A 391 -27.120 84.242 101.884 1.00 25.61 A C +ATOM 2405 CD GLN A 391 -26.890 83.958 103.348 1.00 26.32 A C +ATOM 2406 NE2 GLN A 391 -26.608 84.894 104.247 1.00 25.23 A N +ATOM 2407 OE1 GLN A 391 -26.973 82.797 103.734 1.00 26.73 A O +ATOM 2408 N ILE A 392 -28.691 83.717 99.228 1.00 27.63 A N +ATOM 2409 CA ILE A 392 -29.654 82.688 98.850 1.00 26.34 A C +ATOM 2410 C ILE A 392 -28.864 81.370 98.766 1.00 26.41 A C +ATOM 2411 O ILE A 392 -27.627 81.424 98.770 1.00 28.90 A O +ATOM 2412 CB ILE A 392 -30.336 83.009 97.493 1.00 27.04 A C +ATOM 2413 CG1 ILE A 392 -31.577 82.088 97.443 1.00 28.15 A C +ATOM 2414 CG2 ILE A 392 -29.421 82.818 96.288 1.00 25.80 A C +ATOM 2415 CD1 ILE A 392 -32.723 82.382 96.456 1.00 27.76 A C +ATOM 2416 N ASN A 393 -29.463 80.162 98.764 1.00 23.38 A N +ATOM 2417 CA ASN A 393 -28.760 78.890 98.653 1.00 19.26 A C +ATOM 2418 C ASN A 393 -27.752 78.618 99.723 1.00 17.41 A C +ATOM 2419 O ASN A 393 -26.774 77.926 99.472 1.00 19.09 A O +ATOM 2420 CB ASN A 393 -28.091 78.787 97.285 1.00 19.29 A C +ATOM 2421 CG ASN A 393 -29.113 78.549 96.185 1.00 21.75 A C +ATOM 2422 ND2 ASN A 393 -30.272 77.931 96.443 1.00 22.63 A N +ATOM 2423 OD1 ASN A 393 -28.933 78.927 95.020 1.00 22.23 A O +ATOM 2424 N ARG A 394 -27.947 79.046 100.961 1.00 15.97 A N +ATOM 2425 CA ARG A 394 -26.933 78.752 101.953 1.00 15.84 A C +ATOM 2426 C ARG A 394 -26.923 77.270 102.328 1.00 15.89 A C +ATOM 2427 O ARG A 394 -27.943 76.589 102.152 1.00 16.32 A O +ATOM 2428 CB ARG A 394 -27.183 79.688 103.172 1.00 14.45 A C +ATOM 2429 CG ARG A 394 -27.400 79.088 104.521 1.00 13.83 A C +ATOM 2430 CD ARG A 394 -26.451 79.608 105.554 1.00 10.98 A C +ATOM 2431 NE ARG A 394 -27.024 78.973 106.699 1.00 12.85 A N +ATOM 2432 CZ ARG A 394 -26.492 78.962 107.915 1.00 14.04 A C +ATOM 2433 NH1 ARG A 394 -25.352 79.529 108.155 1.00 14.50 A N1+ +ATOM 2434 NH2 ARG A 394 -27.099 78.337 108.940 1.00 16.89 A N +ATOM 2435 N GLN A 395 -25.793 76.693 102.769 1.00 14.90 A N +ATOM 2436 CA GLN A 395 -25.667 75.303 103.174 1.00 13.29 A C +ATOM 2437 C GLN A 395 -24.775 75.256 104.379 1.00 13.42 A C +ATOM 2438 O GLN A 395 -23.800 76.002 104.392 1.00 14.54 A O +ATOM 2439 CB GLN A 395 -24.953 74.437 102.165 1.00 12.59 A C +ATOM 2440 CG GLN A 395 -25.655 74.370 100.840 1.00 11.75 A C +ATOM 2441 CD GLN A 395 -25.001 73.510 99.799 1.00 11.40 A C +ATOM 2442 NE2 GLN A 395 -24.675 72.273 100.061 1.00 12.04 A N +ATOM 2443 OE1 GLN A 395 -24.826 73.947 98.661 1.00 12.29 A O +ATOM 2444 N VAL A 396 -25.059 74.557 105.462 1.00 14.05 A N +ATOM 2445 CA VAL A 396 -24.107 74.467 106.546 1.00 15.08 A C +ATOM 2446 C VAL A 396 -23.209 73.287 106.080 1.00 17.08 A C +ATOM 2447 O VAL A 396 -23.630 72.404 105.314 1.00 20.89 A O +ATOM 2448 CB VAL A 396 -24.800 74.113 107.823 1.00 14.83 A C +ATOM 2449 CG1 VAL A 396 -23.819 73.604 108.849 1.00 15.26 A C +ATOM 2450 CG2 VAL A 396 -25.470 75.350 108.352 1.00 14.93 A C +ATOM 2451 N ILE A 397 -21.910 73.304 106.355 1.00 17.94 A N +ATOM 2452 CA ILE A 397 -20.991 72.240 105.987 1.00 16.20 A C +ATOM 2453 C ILE A 397 -20.469 71.772 107.348 1.00 17.34 A C +ATOM 2454 O ILE A 397 -20.297 70.570 107.544 1.00 17.87 A O +ATOM 2455 CB ILE A 397 -19.855 72.783 105.141 1.00 16.17 A C +ATOM 2456 CG1 ILE A 397 -20.448 73.430 103.889 1.00 16.06 A C +ATOM 2457 CG2 ILE A 397 -18.835 71.673 104.862 1.00 14.97 A C +ATOM 2458 CD1 ILE A 397 -21.039 72.607 102.715 1.00 14.46 A C +ATOM 2459 N VAL A 398 -20.193 72.609 108.332 1.00 16.76 A N +ATOM 2460 CA VAL A 398 -19.725 72.132 109.629 1.00 18.72 A C +ATOM 2461 C VAL A 398 -20.557 73.022 110.536 1.00 21.45 A C +ATOM 2462 O VAL A 398 -20.551 74.252 110.363 1.00 22.17 A O +ATOM 2463 CB VAL A 398 -18.234 72.433 109.916 1.00 17.29 A C +ATOM 2464 CG1 VAL A 398 -17.856 71.920 111.296 1.00 15.74 A C +ATOM 2465 CG2 VAL A 398 -17.367 71.775 108.893 1.00 16.83 A C +ATOM 2466 N ASP A 399 -21.369 72.450 111.414 1.00 23.94 A N +ATOM 2467 CA ASP A 399 -22.156 73.278 112.295 1.00 26.77 A C +ATOM 2468 C ASP A 399 -21.277 74.137 113.187 1.00 27.74 A C +ATOM 2469 O ASP A 399 -20.168 73.769 113.574 1.00 27.92 A O +ATOM 2470 CB ASP A 399 -23.056 72.427 113.176 1.00 27.53 A C +ATOM 2471 CG ASP A 399 -22.308 71.457 114.063 1.00 28.81 A C +ATOM 2472 OD1 ASP A 399 -21.881 70.447 113.520 1.00 30.40 A O +ATOM 2473 OD2 ASP A 399 -22.144 71.689 115.264 1.00 28.86 A O1- +ATOM 2474 N SER A 400 -21.884 75.217 113.640 1.00 29.59 A N +ATOM 2475 CA SER A 400 -21.295 76.232 114.489 1.00 30.41 A C +ATOM 2476 C SER A 400 -20.824 75.792 115.832 1.00 30.23 A C +ATOM 2477 O SER A 400 -20.373 76.622 116.603 1.00 31.14 A O +ATOM 2478 CB SER A 400 -22.312 77.348 114.649 1.00 31.87 A C +ATOM 2479 OG SER A 400 -23.595 76.782 114.902 1.00 33.83 A O +ATOM 2480 N ASP A 401 -20.974 74.540 116.180 1.00 30.42 A N +ATOM 2481 CA ASP A 401 -20.475 74.107 117.463 1.00 31.44 A C +ATOM 2482 C ASP A 401 -19.210 73.299 117.288 1.00 30.84 A C +ATOM 2483 O ASP A 401 -18.641 72.823 118.272 1.00 30.95 A O +ATOM 2484 CB ASP A 401 -21.524 73.278 118.183 1.00 34.37 A C +ATOM 2485 CG ASP A 401 -22.313 74.179 119.119 1.00 36.89 A C +ATOM 2486 OD1 ASP A 401 -22.733 75.273 118.719 1.00 38.84 A O +ATOM 2487 OD2 ASP A 401 -22.478 73.798 120.272 1.00 38.62 A O1- +ATOM 2488 N ASN A 402 -18.733 73.159 116.050 1.00 28.64 A N +ATOM 2489 CA ASN A 402 -17.536 72.399 115.772 1.00 26.92 A C +ATOM 2490 C ASN A 402 -16.532 73.304 115.116 1.00 26.72 A C +ATOM 2491 O ASN A 402 -16.886 74.332 114.505 1.00 27.24 A O +ATOM 2492 CB ASN A 402 -17.841 71.277 114.846 1.00 27.34 A C +ATOM 2493 CG ASN A 402 -18.472 70.188 115.650 1.00 28.09 A C +ATOM 2494 ND2 ASN A 402 -19.749 69.974 115.461 1.00 27.46 A N +ATOM 2495 OD1 ASN A 402 -17.850 69.522 116.470 1.00 29.51 A O +ATOM 2496 N ARG A 403 -15.276 72.866 115.166 1.00 24.22 A N +ATOM 2497 CA ARG A 403 -14.174 73.623 114.627 1.00 21.00 A C +ATOM 2498 C ARG A 403 -13.957 73.480 113.148 1.00 19.72 A C +ATOM 2499 O ARG A 403 -14.201 72.388 112.618 1.00 19.81 A O +ATOM 2500 CB ARG A 403 -12.910 73.199 115.323 1.00 20.88 A C +ATOM 2501 CG ARG A 403 -12.982 73.087 116.837 1.00 20.10 A C +ATOM 2502 CD ARG A 403 -11.910 73.965 117.397 1.00 18.00 A C +ATOM 2503 NE ARG A 403 -10.706 73.302 117.831 1.00 17.87 A N +ATOM 2504 CZ ARG A 403 -9.522 73.839 117.532 1.00 18.20 A C +ATOM 2505 NH1 ARG A 403 -9.393 74.880 116.718 1.00 18.58 A N1+ +ATOM 2506 NH2 ARG A 403 -8.406 73.285 117.950 1.00 18.01 A N +ATOM 2507 N SER A 404 -13.545 74.562 112.485 1.00 18.20 A N +ATOM 2508 CA SER A 404 -13.218 74.511 111.065 1.00 17.11 A C +ATOM 2509 C SER A 404 -11.767 75.052 110.931 1.00 15.17 A C +ATOM 2510 O SER A 404 -10.908 74.752 111.783 1.00 14.25 A O +ATOM 2511 CB SER A 404 -14.180 75.363 110.296 1.00 18.27 A C +ATOM 2512 OG SER A 404 -14.121 76.608 110.966 1.00 21.54 A O +ATOM 2513 N GLY A 405 -11.381 75.860 109.927 1.00 14.33 A N +ATOM 2514 CA GLY A 405 -10.028 76.364 109.778 1.00 11.47 A C +ATOM 2515 C GLY A 405 -9.935 76.988 108.398 1.00 11.95 A C +ATOM 2516 O GLY A 405 -10.848 77.707 107.946 1.00 11.10 A O +ATOM 2517 N TYR A 406 -8.824 76.699 107.728 1.00 11.06 A N +ATOM 2518 CA TYR A 406 -8.519 77.195 106.398 1.00 10.50 A C +ATOM 2519 C TYR A 406 -9.443 76.633 105.351 1.00 9.32 A C +ATOM 2520 O TYR A 406 -10.058 75.629 105.650 1.00 9.12 A O +ATOM 2521 CB TYR A 406 -7.065 76.824 105.988 1.00 10.17 A C +ATOM 2522 CG TYR A 406 -5.956 77.730 106.543 1.00 12.49 A C +ATOM 2523 CD1 TYR A 406 -6.159 78.563 107.633 1.00 11.75 A C +ATOM 2524 CD2 TYR A 406 -4.744 77.788 105.860 1.00 12.46 A C +ATOM 2525 CE1 TYR A 406 -5.166 79.464 108.020 1.00 13.42 A C +ATOM 2526 CE2 TYR A 406 -3.746 78.691 106.247 1.00 13.09 A C +ATOM 2527 CZ TYR A 406 -3.971 79.537 107.320 1.00 13.96 A C +ATOM 2528 OH TYR A 406 -3.017 80.514 107.598 1.00 15.41 A O +ATOM 2529 N SER A 407 -9.603 77.182 104.137 1.00 8.60 A N +ATOM 2530 CA SER A 407 -10.452 76.551 103.153 1.00 7.52 A C +ATOM 2531 C SER A 407 -9.919 77.020 101.812 1.00 8.30 A C +ATOM 2532 O SER A 407 -9.243 78.044 101.748 1.00 10.59 A O +ATOM 2533 CB SER A 407 -11.886 76.961 103.326 1.00 10.43 A C +ATOM 2534 OG SER A 407 -12.168 78.365 103.430 1.00 11.89 A O +ATOM 2535 N GLY A 408 -10.099 76.318 100.728 1.00 7.23 A N +ATOM 2536 CA GLY A 408 -9.523 76.831 99.504 1.00 6.91 A C +ATOM 2537 C GLY A 408 -10.301 76.253 98.363 1.00 6.88 A C +ATOM 2538 O GLY A 408 -11.050 75.293 98.574 1.00 6.83 A O +ATOM 2539 N ILE A 409 -9.976 76.636 97.147 1.00 6.35 A N +ATOM 2540 CA ILE A 409 -10.726 76.181 96.051 1.00 6.74 A C +ATOM 2541 C ILE A 409 -9.896 75.264 95.188 1.00 10.95 A C +ATOM 2542 O ILE A 409 -8.659 75.301 95.302 1.00 12.02 A O +ATOM 2543 CB ILE A 409 -11.151 77.473 95.354 1.00 7.76 A C +ATOM 2544 CG1 ILE A 409 -12.490 77.217 94.694 1.00 7.65 A C +ATOM 2545 CG2 ILE A 409 -10.041 77.959 94.397 1.00 8.01 A C +ATOM 2546 CD1 ILE A 409 -12.717 77.970 93.368 1.00 8.26 A C +ATOM 2547 N PHE A 410 -10.509 74.434 94.332 1.00 10.18 A N +ATOM 2548 CA PHE A 410 -9.722 73.600 93.442 1.00 11.97 A C +ATOM 2549 C PHE A 410 -10.648 73.326 92.246 1.00 12.52 A C +ATOM 2550 O PHE A 410 -11.874 73.223 92.396 1.00 13.67 A O +ATOM 2551 CB PHE A 410 -9.235 72.334 94.227 1.00 9.70 A C +ATOM 2552 CG PHE A 410 -10.140 71.195 94.620 1.00 5.96 A C +ATOM 2553 CD1 PHE A 410 -10.353 70.164 93.739 1.00 4.88 A C +ATOM 2554 CD2 PHE A 410 -10.695 71.148 95.878 1.00 5.03 A C +ATOM 2555 CE1 PHE A 410 -11.116 69.081 94.093 1.00 3.58 A C +ATOM 2556 CE2 PHE A 410 -11.472 70.047 96.228 1.00 5.89 A C +ATOM 2557 CZ PHE A 410 -11.680 69.013 95.339 1.00 3.60 A C +ATOM 2558 N SER A 411 -10.131 73.318 91.043 1.00 13.94 A N +ATOM 2559 CA SER A 411 -11.003 73.134 89.924 1.00 13.35 A C +ATOM 2560 C SER A 411 -10.816 71.787 89.301 1.00 16.18 A C +ATOM 2561 O SER A 411 -9.659 71.344 89.211 1.00 16.37 A O +ATOM 2562 CB SER A 411 -10.690 74.278 88.959 1.00 15.22 A C +ATOM 2563 OG SER A 411 -10.943 75.587 89.493 1.00 14.32 A O +ATOM 2564 N VAL A 412 -11.879 71.078 88.898 1.00 16.23 A N +ATOM 2565 CA VAL A 412 -11.669 69.775 88.268 1.00 18.58 A C +ATOM 2566 C VAL A 412 -12.174 69.941 86.835 1.00 19.33 A C +ATOM 2567 O VAL A 412 -13.228 70.549 86.684 1.00 19.11 A O +ATOM 2568 CB VAL A 412 -12.439 68.702 89.090 1.00 18.27 A C +ATOM 2569 CG1 VAL A 412 -12.151 68.824 90.606 1.00 16.21 A C +ATOM 2570 CG2 VAL A 412 -13.921 68.958 88.967 1.00 21.21 A C +ATOM 2571 N GLU A 413 -11.505 69.560 85.747 1.00 20.79 A N +ATOM 2572 CA GLU A 413 -12.096 69.795 84.445 1.00 23.98 A C +ATOM 2573 C GLU A 413 -13.153 68.747 84.179 1.00 26.06 A C +ATOM 2574 O GLU A 413 -12.919 67.547 84.308 1.00 26.92 A O +ATOM 2575 CB GLU A 413 -11.099 69.707 83.325 1.00 25.33 A C +ATOM 2576 CG GLU A 413 -11.670 70.424 82.147 1.00 28.41 A C +ATOM 2577 CD GLU A 413 -11.043 70.039 80.823 1.00 30.57 A C +ATOM 2578 OE1 GLU A 413 -11.257 68.915 80.403 1.00 33.57 A O +ATOM 2579 OE2 GLU A 413 -10.397 70.843 80.156 1.00 32.57 A O1- +ATOM 2580 N GLY A 414 -14.352 69.186 83.854 1.00 27.96 A N +ATOM 2581 CA GLY A 414 -15.410 68.254 83.580 1.00 28.86 A C +ATOM 2582 C GLY A 414 -15.454 68.037 82.092 1.00 30.53 A C +ATOM 2583 O GLY A 414 -14.634 68.559 81.329 1.00 31.19 A O +ATOM 2584 N LYS A 415 -16.481 67.297 81.683 1.00 31.15 A N +ATOM 2585 CA LYS A 415 -16.700 66.968 80.295 1.00 32.14 A C +ATOM 2586 C LYS A 415 -17.074 68.134 79.411 1.00 31.60 A C +ATOM 2587 O LYS A 415 -16.691 68.203 78.245 1.00 32.04 A O +ATOM 2588 CB LYS A 415 -17.801 65.934 80.194 1.00 33.93 A C +ATOM 2589 CG LYS A 415 -17.759 65.132 78.887 1.00 36.86 A C +ATOM 2590 CD LYS A 415 -19.040 64.282 78.662 1.00 38.80 A C +ATOM 2591 CE LYS A 415 -19.369 63.304 79.817 1.00 39.89 A C +ATOM 2592 NZ LYS A 415 -18.270 62.363 80.066 1.00 40.82 A N1+ +ATOM 2593 N SER A 416 -17.872 69.043 79.932 1.00 30.79 A N +ATOM 2594 CA SER A 416 -18.316 70.169 79.116 1.00 30.23 A C +ATOM 2595 C SER A 416 -18.016 71.543 79.713 1.00 28.92 A C +ATOM 2596 O SER A 416 -17.959 72.555 79.008 1.00 28.80 A O +ATOM 2597 CB SER A 416 -19.808 69.945 78.907 1.00 31.77 A C +ATOM 2598 OG SER A 416 -20.431 69.645 80.182 1.00 32.91 A O +ATOM 2599 N CYS A 417 -17.822 71.573 81.026 1.00 26.21 A N +ATOM 2600 CA CYS A 417 -17.528 72.783 81.743 1.00 24.15 A C +ATOM 2601 C CYS A 417 -16.492 72.489 82.835 1.00 24.18 A C +ATOM 2602 O CYS A 417 -16.119 71.317 83.024 1.00 23.38 A O +ATOM 2603 CB CYS A 417 -18.817 73.263 82.335 1.00 23.42 A C +ATOM 2604 SG CYS A 417 -19.484 72.009 83.435 1.00 20.19 A S +ATOM 2605 N ILE A 418 -15.900 73.479 83.526 1.00 22.88 A N +ATOM 2606 CA ILE A 418 -14.945 73.127 84.554 1.00 20.66 A C +ATOM 2607 C ILE A 418 -15.666 73.502 85.850 1.00 19.36 A C +ATOM 2608 O ILE A 418 -16.299 74.561 86.039 1.00 19.04 A O +ATOM 2609 CB ILE A 418 -13.473 73.839 84.330 1.00 20.89 A C +ATOM 2610 CG1 ILE A 418 -13.407 75.147 84.961 1.00 21.24 A C +ATOM 2611 CG2 ILE A 418 -13.110 74.019 82.861 1.00 19.63 A C +ATOM 2612 CD1 ILE A 418 -12.696 74.843 86.284 1.00 21.94 A C +ATOM 2613 N ASN A 419 -15.564 72.585 86.794 1.00 18.65 A N +ATOM 2614 CA ASN A 419 -16.250 72.745 88.050 1.00 18.19 A C +ATOM 2615 C ASN A 419 -15.388 73.269 89.158 1.00 17.07 A C +ATOM 2616 O ASN A 419 -14.175 73.151 89.085 1.00 16.26 A O +ATOM 2617 CB ASN A 419 -16.853 71.382 88.354 1.00 19.70 A C +ATOM 2618 CG ASN A 419 -17.776 71.316 89.550 1.00 20.99 A C +ATOM 2619 ND2 ASN A 419 -18.570 72.325 89.897 1.00 21.80 A N +ATOM 2620 OD1 ASN A 419 -17.868 70.286 90.221 1.00 22.43 A O +ATOM 2621 N ARG A 420 -15.987 73.788 90.232 1.00 15.74 A N +ATOM 2622 CA ARG A 420 -15.245 74.354 91.328 1.00 13.51 A C +ATOM 2623 C ARG A 420 -15.590 73.558 92.555 1.00 12.96 A C +ATOM 2624 O ARG A 420 -16.766 73.254 92.772 1.00 11.93 A O +ATOM 2625 CB ARG A 420 -15.653 75.813 91.550 1.00 13.90 A C +ATOM 2626 CG ARG A 420 -15.594 76.694 90.306 1.00 13.35 A C +ATOM 2627 CD ARG A 420 -14.208 77.108 89.889 1.00 12.09 A C +ATOM 2628 NE ARG A 420 -14.395 77.979 88.762 1.00 12.39 A N +ATOM 2629 CZ ARG A 420 -13.468 78.194 87.842 1.00 13.28 A C +ATOM 2630 NH1 ARG A 420 -12.275 77.607 87.880 1.00 13.97 A N1+ +ATOM 2631 NH2 ARG A 420 -13.760 79.022 86.829 1.00 14.40 A N +ATOM 2632 N CYS A 421 -14.595 73.235 93.348 1.00 12.11 A N +ATOM 2633 CA CYS A 421 -14.782 72.464 94.554 1.00 11.98 A C +ATOM 2634 C CYS A 421 -13.998 73.154 95.675 1.00 11.69 A C +ATOM 2635 O CYS A 421 -13.196 74.057 95.382 1.00 9.84 A O +ATOM 2636 CB CYS A 421 -14.247 71.061 94.344 1.00 12.72 A C +ATOM 2637 SG CYS A 421 -14.801 70.109 92.902 1.00 15.34 A S +ATOM 2638 N PHE A 422 -14.119 72.752 96.949 1.00 10.86 A N +ATOM 2639 CA PHE A 422 -13.385 73.435 98.003 1.00 8.55 A C +ATOM 2640 C PHE A 422 -13.056 72.463 99.109 1.00 8.81 A C +ATOM 2641 O PHE A 422 -13.679 71.421 99.177 1.00 8.22 A O +ATOM 2642 CB PHE A 422 -14.180 74.594 98.672 1.00 10.00 A C +ATOM 2643 CG PHE A 422 -15.484 74.286 99.402 1.00 7.53 A C +ATOM 2644 CD1 PHE A 422 -16.672 74.209 98.679 1.00 7.61 A C +ATOM 2645 CD2 PHE A 422 -15.489 74.095 100.755 1.00 7.85 A C +ATOM 2646 CE1 PHE A 422 -17.871 73.940 99.309 1.00 5.50 A C +ATOM 2647 CE2 PHE A 422 -16.692 73.823 101.378 1.00 7.32 A C +ATOM 2648 CZ PHE A 422 -17.879 73.743 100.672 1.00 6.55 A C +ATOM 2649 N TYR A 423 -12.129 72.727 100.015 1.00 6.10 A N +ATOM 2650 CA TYR A 423 -11.871 71.736 101.075 1.00 5.58 A C +ATOM 2651 C TYR A 423 -12.003 72.536 102.331 1.00 3.86 A C +ATOM 2652 O TYR A 423 -11.834 73.760 102.257 1.00 2.00 A O +ATOM 2653 CB TYR A 423 -10.409 71.169 101.036 1.00 4.33 A C +ATOM 2654 CG TYR A 423 -9.339 72.273 100.949 1.00 3.59 A C +ATOM 2655 CD1 TYR A 423 -8.945 72.722 99.678 1.00 4.38 A C +ATOM 2656 CD2 TYR A 423 -8.798 72.842 102.081 1.00 2.86 A C +ATOM 2657 CE1 TYR A 423 -8.016 73.741 99.571 1.00 5.30 A C +ATOM 2658 CE2 TYR A 423 -7.874 73.862 101.972 1.00 3.06 A C +ATOM 2659 CZ TYR A 423 -7.503 74.287 100.726 1.00 6.02 A C +ATOM 2660 OH TYR A 423 -6.589 75.307 100.636 1.00 10.03 A O +ATOM 2661 N VAL A 424 -12.287 72.020 103.510 1.00 7.49 A N +ATOM 2662 CA VAL A 424 -12.295 72.912 104.671 1.00 10.51 A C +ATOM 2663 C VAL A 424 -11.573 72.030 105.671 1.00 11.67 A C +ATOM 2664 O VAL A 424 -11.757 70.829 105.732 1.00 13.75 A O +ATOM 2665 CB VAL A 424 -13.773 73.402 105.101 1.00 11.28 A C +ATOM 2666 CG1 VAL A 424 -14.859 72.541 104.536 1.00 12.38 A C +ATOM 2667 CG2 VAL A 424 -13.856 73.457 106.595 1.00 12.36 A C +ATOM 2668 N GLU A 425 -10.522 72.630 106.201 1.00 13.62 A N +ATOM 2669 CA GLU A 425 -9.602 72.065 107.145 1.00 14.72 A C +ATOM 2670 C GLU A 425 -10.259 72.056 108.491 1.00 15.86 A C +ATOM 2671 O GLU A 425 -10.679 73.139 108.879 1.00 16.97 A O +ATOM 2672 CB GLU A 425 -8.356 72.953 107.136 1.00 16.14 A C +ATOM 2673 CG GLU A 425 -7.488 72.856 108.398 1.00 15.75 A C +ATOM 2674 CD GLU A 425 -6.281 73.776 108.525 1.00 17.45 A C +ATOM 2675 OE1 GLU A 425 -6.399 74.988 108.388 1.00 19.34 A O +ATOM 2676 OE2 GLU A 425 -5.204 73.301 108.848 1.00 18.96 A O1- +ATOM 2677 N LEU A 426 -10.347 70.993 109.271 1.00 16.52 A N +ATOM 2678 CA LEU A 426 -11.005 71.086 110.576 1.00 17.50 A C +ATOM 2679 C LEU A 426 -9.865 71.037 111.550 1.00 18.36 A C +ATOM 2680 O LEU A 426 -9.295 69.939 111.658 1.00 18.65 A O +ATOM 2681 CB LEU A 426 -11.903 69.898 110.742 1.00 18.29 A C +ATOM 2682 CG LEU A 426 -12.681 69.544 109.491 1.00 18.49 A C +ATOM 2683 CD1 LEU A 426 -13.191 68.132 109.658 1.00 18.97 A C +ATOM 2684 CD2 LEU A 426 -13.771 70.568 109.224 1.00 18.05 A C +ATOM 2685 N ILE A 427 -9.432 72.095 112.241 1.00 19.13 A N +ATOM 2686 CA ILE A 427 -8.288 71.848 113.091 1.00 19.69 A C +ATOM 2687 C ILE A 427 -8.726 71.407 114.479 1.00 20.19 A C +ATOM 2688 O ILE A 427 -9.835 71.695 114.910 1.00 21.28 A O +ATOM 2689 CB ILE A 427 -7.258 73.125 113.122 1.00 18.61 A C +ATOM 2690 CG1 ILE A 427 -7.333 73.770 114.448 1.00 19.69 A C +ATOM 2691 CG2 ILE A 427 -7.505 74.222 112.104 1.00 15.94 A C +ATOM 2692 CD1 ILE A 427 -6.061 73.485 115.264 1.00 22.06 A C +ATOM 2693 N ARG A 428 -7.867 70.682 115.194 1.00 21.14 A N +ATOM 2694 CA ARG A 428 -8.093 70.186 116.542 1.00 21.02 A C +ATOM 2695 C ARG A 428 -6.820 70.393 117.300 1.00 21.36 A C +ATOM 2696 O ARG A 428 -5.730 70.431 116.710 1.00 20.65 A O +ATOM 2697 CB ARG A 428 -8.331 68.679 116.661 1.00 21.45 A C +ATOM 2698 CG ARG A 428 -9.619 68.203 116.070 1.00 20.26 A C +ATOM 2699 CD ARG A 428 -10.740 68.973 116.738 1.00 19.97 A C +ATOM 2700 NE ARG A 428 -11.800 68.024 116.783 1.00 20.95 A N +ATOM 2701 CZ ARG A 428 -12.231 67.508 117.903 1.00 20.90 A C +ATOM 2702 NH1 ARG A 428 -11.838 67.873 119.116 1.00 20.36 A N1+ +ATOM 2703 NH2 ARG A 428 -13.166 66.636 117.762 1.00 21.66 A N +ATOM 2704 N GLY A 429 -6.983 70.430 118.610 1.00 22.10 A N +ATOM 2705 CA GLY A 429 -5.838 70.587 119.467 1.00 25.41 A C +ATOM 2706 C GLY A 429 -5.647 71.990 120.000 1.00 27.79 A C +ATOM 2707 O GLY A 429 -6.578 72.806 120.047 1.00 28.23 A O +ATOM 2708 N ARG A 430 -4.422 72.232 120.455 1.00 29.32 A N +ATOM 2709 CA ARG A 430 -4.076 73.505 121.013 1.00 30.75 A C +ATOM 2710 C ARG A 430 -4.076 74.576 119.939 1.00 31.78 A C +ATOM 2711 O ARG A 430 -3.931 74.310 118.753 1.00 32.78 A O +ATOM 2712 CB ARG A 430 -2.722 73.380 121.696 1.00 31.16 A C +ATOM 2713 CG ARG A 430 -2.955 72.623 122.977 1.00 31.97 A C +ATOM 2714 CD ARG A 430 -2.031 73.031 124.102 1.00 32.30 A C +ATOM 2715 NE ARG A 430 -2.443 72.323 125.305 1.00 34.03 A N +ATOM 2716 CZ ARG A 430 -1.906 72.549 126.509 1.00 35.15 A C +ATOM 2717 NH1 ARG A 430 -0.975 73.469 126.693 1.00 36.85 A N1+ +ATOM 2718 NH2 ARG A 430 -2.299 71.875 127.581 1.00 35.72 A N +ATOM 2719 N LYS A 431 -4.294 75.857 120.191 1.00 33.86 A N +ATOM 2720 CA LYS A 431 -4.547 76.386 121.515 1.00 34.76 A C +ATOM 2721 C LYS A 431 -5.958 76.285 122.051 1.00 34.94 A C +ATOM 2722 O LYS A 431 -6.096 76.172 123.271 1.00 34.58 A O +ATOM 2723 CB LYS A 431 -4.105 77.832 121.525 1.00 35.96 A C +ATOM 2724 CG LYS A 431 -2.613 77.850 121.666 1.00 37.44 A C +ATOM 2725 CD LYS A 431 -2.023 79.191 121.305 1.00 39.68 A C +ATOM 2726 CE LYS A 431 -0.582 79.091 121.790 1.00 41.27 A C +ATOM 2727 NZ LYS A 431 0.249 80.164 121.261 1.00 43.64 A N1+ +ATOM 2728 N GLN A 432 -6.966 76.232 121.168 1.00 34.64 A N +ATOM 2729 CA GLN A 432 -8.346 76.170 121.613 1.00 34.82 A C +ATOM 2730 C GLN A 432 -8.660 74.985 122.509 1.00 34.81 A C +ATOM 2731 O GLN A 432 -9.337 75.200 123.505 1.00 35.52 A O +ATOM 2732 CB GLN A 432 -9.281 76.158 120.406 1.00 36.23 A C +ATOM 2733 CG GLN A 432 -10.737 76.429 120.785 1.00 38.63 A C +ATOM 2734 CD GLN A 432 -11.726 76.754 119.656 1.00 41.01 A C +ATOM 2735 NE2 GLN A 432 -13.011 76.439 119.824 1.00 41.34 A N +ATOM 2736 OE1 GLN A 432 -11.399 77.300 118.591 1.00 42.94 A O +ATOM 2737 N GLU A 433 -8.222 73.754 122.247 1.00 33.78 A N +ATOM 2738 CA GLU A 433 -8.541 72.632 123.107 1.00 32.54 A C +ATOM 2739 C GLU A 433 -7.257 72.275 123.814 1.00 32.60 A C +ATOM 2740 O GLU A 433 -6.255 71.893 123.227 1.00 32.61 A O +ATOM 2741 CB GLU A 433 -9.008 71.481 122.288 1.00 32.30 A C +ATOM 2742 CG GLU A 433 -10.117 71.895 121.363 1.00 32.38 A C +ATOM 2743 CD GLU A 433 -10.684 70.739 120.583 1.00 31.92 A C +ATOM 2744 OE1 GLU A 433 -11.537 70.036 121.112 1.00 31.98 A O +ATOM 2745 OE2 GLU A 433 -10.272 70.558 119.448 1.00 32.59 A O1- +ATOM 2746 N THR A 434 -7.327 72.415 125.106 1.00 33.16 A N +ATOM 2747 CA THR A 434 -6.286 72.212 126.083 1.00 33.43 A C +ATOM 2748 C THR A 434 -6.023 70.831 126.641 1.00 33.01 A C +ATOM 2749 O THR A 434 -5.048 70.663 127.375 1.00 33.23 A O +ATOM 2750 CB THR A 434 -6.677 73.243 127.155 1.00 34.29 A C +ATOM 2751 CG2 THR A 434 -5.805 73.344 128.367 1.00 35.48 A C +ATOM 2752 OG1 THR A 434 -6.624 74.482 126.456 1.00 36.19 A O +ATOM 2753 N ARG A 435 -6.826 69.806 126.381 1.00 31.99 A N +ATOM 2754 CA ARG A 435 -6.542 68.508 126.984 1.00 30.91 A C +ATOM 2755 C ARG A 435 -5.291 67.818 126.440 1.00 30.52 A C +ATOM 2756 O ARG A 435 -4.625 67.024 127.110 1.00 29.72 A O +ATOM 2757 CB ARG A 435 -7.726 67.556 126.790 1.00 30.83 A C +ATOM 2758 CG ARG A 435 -7.686 66.521 127.906 1.00 32.12 A C +ATOM 2759 CD ARG A 435 -8.730 65.443 127.820 1.00 32.67 A C +ATOM 2760 NE ARG A 435 -8.342 64.567 126.748 1.00 33.70 A N +ATOM 2761 CZ ARG A 435 -7.743 63.408 126.962 1.00 32.99 A C +ATOM 2762 NH1 ARG A 435 -7.489 62.932 128.171 1.00 32.83 A N1+ +ATOM 2763 NH2 ARG A 435 -7.428 62.709 125.904 1.00 33.37 A N +ATOM 2764 N VAL A 436 -4.999 68.130 125.183 1.00 28.90 A N +ATOM 2765 CA VAL A 436 -3.889 67.536 124.493 1.00 27.15 A C +ATOM 2766 C VAL A 436 -2.834 68.592 124.226 1.00 26.65 A C +ATOM 2767 O VAL A 436 -3.156 69.776 124.288 1.00 26.28 A O +ATOM 2768 CB VAL A 436 -4.440 66.922 123.206 1.00 26.94 A C +ATOM 2769 CG1 VAL A 436 -5.516 65.919 123.580 1.00 26.62 A C +ATOM 2770 CG2 VAL A 436 -4.978 67.993 122.280 1.00 27.00 A C +ATOM 2771 N TRP A 437 -1.597 68.218 123.902 1.00 25.24 A N +ATOM 2772 CA TRP A 437 -0.552 69.165 123.631 1.00 23.12 A C +ATOM 2773 C TRP A 437 -0.230 69.325 122.186 1.00 22.82 A C +ATOM 2774 O TRP A 437 0.661 70.117 121.874 1.00 23.48 A O +ATOM 2775 CB TRP A 437 0.680 68.769 124.316 1.00 23.48 A C +ATOM 2776 CG TRP A 437 0.481 68.872 125.805 1.00 24.48 A C +ATOM 2777 CD1 TRP A 437 -0.061 67.825 126.489 1.00 25.21 A C +ATOM 2778 CD2 TRP A 437 0.823 69.925 126.603 1.00 25.18 A C +ATOM 2779 CE2 TRP A 437 0.465 69.443 127.843 1.00 25.93 A C +ATOM 2780 CE3 TRP A 437 1.374 71.181 126.489 1.00 26.16 A C +ATOM 2781 NE1 TRP A 437 -0.052 68.212 127.730 1.00 25.96 A N +ATOM 2782 CZ2 TRP A 437 0.642 70.194 128.985 1.00 26.04 A C +ATOM 2783 CZ3 TRP A 437 1.558 71.936 127.630 1.00 26.00 A C +ATOM 2784 CH2 TRP A 437 1.192 71.450 128.863 1.00 25.81 A C +ATOM 2785 N TRP A 438 -0.920 68.643 121.280 1.00 21.14 A N +ATOM 2786 CA TRP A 438 -0.672 68.726 119.845 1.00 19.49 A C +ATOM 2787 C TRP A 438 -1.679 69.606 119.138 1.00 19.21 A C +ATOM 2788 O TRP A 438 -2.676 70.005 119.731 1.00 19.30 A O +ATOM 2789 CB TRP A 438 -0.728 67.321 119.221 1.00 19.29 A C +ATOM 2790 CG TRP A 438 -1.967 66.514 119.590 1.00 19.68 A C +ATOM 2791 CD1 TRP A 438 -1.902 65.653 120.656 1.00 19.96 A C +ATOM 2792 CD2 TRP A 438 -3.218 66.535 119.008 1.00 19.13 A C +ATOM 2793 CE2 TRP A 438 -3.907 65.639 119.811 1.00 19.13 A C +ATOM 2794 CE3 TRP A 438 -3.878 67.157 117.967 1.00 18.90 A C +ATOM 2795 NE1 TRP A 438 -3.103 65.136 120.757 1.00 20.28 A N +ATOM 2796 CZ2 TRP A 438 -5.228 65.337 119.617 1.00 19.09 A C +ATOM 2797 CZ3 TRP A 438 -5.213 66.861 117.765 1.00 19.42 A C +ATOM 2798 CH2 TRP A 438 -5.882 65.960 118.576 1.00 19.72 A C +ATOM 2799 N THR A 439 -1.473 69.873 117.864 1.00 19.32 A N +ATOM 2800 CA THR A 439 -2.376 70.662 117.071 1.00 19.74 A C +ATOM 2801 C THR A 439 -2.381 69.887 115.764 1.00 20.95 A C +ATOM 2802 O THR A 439 -1.298 69.521 115.293 1.00 21.93 A O +ATOM 2803 CB THR A 439 -1.780 72.042 116.900 1.00 20.04 A C +ATOM 2804 CG2 THR A 439 -2.633 72.904 116.032 1.00 19.45 A C +ATOM 2805 OG1 THR A 439 -1.582 72.587 118.212 1.00 22.35 A O +ATOM 2806 N SER A 440 -3.515 69.521 115.179 1.00 21.53 A N +ATOM 2807 CA SER A 440 -3.548 68.795 113.918 1.00 20.05 A C +ATOM 2808 C SER A 440 -4.867 69.158 113.240 1.00 19.49 A C +ATOM 2809 O SER A 440 -5.645 69.939 113.781 1.00 19.77 A O +ATOM 2810 CB SER A 440 -3.511 67.301 114.166 1.00 20.79 A C +ATOM 2811 OG SER A 440 -3.040 66.585 113.019 1.00 22.26 A O +ATOM 2812 N ASN A 441 -5.157 68.699 112.046 1.00 18.50 A N +ATOM 2813 CA ASN A 441 -6.391 68.966 111.369 1.00 18.17 A C +ATOM 2814 C ASN A 441 -6.841 67.671 110.703 1.00 19.85 A C +ATOM 2815 O ASN A 441 -6.208 66.597 110.834 1.00 21.77 A O +ATOM 2816 CB ASN A 441 -6.214 69.988 110.281 1.00 16.18 A C +ATOM 2817 CG ASN A 441 -5.465 69.457 109.094 1.00 16.46 A C +ATOM 2818 ND2 ASN A 441 -6.012 69.311 107.904 1.00 14.36 A N +ATOM 2819 OD1 ASN A 441 -4.300 69.138 109.223 1.00 18.15 A O +ATOM 2820 N SER A 442 -8.021 67.728 110.079 1.00 19.31 A N +ATOM 2821 CA SER A 442 -8.513 66.608 109.306 1.00 17.73 A C +ATOM 2822 C SER A 442 -9.234 67.293 108.141 1.00 16.83 A C +ATOM 2823 O SER A 442 -9.192 68.535 108.053 1.00 18.10 A O +ATOM 2824 CB SER A 442 -9.425 65.708 110.140 1.00 17.60 A C +ATOM 2825 OG SER A 442 -10.757 66.051 110.416 1.00 17.42 A O +ATOM 2826 N ILE A 443 -9.784 66.671 107.109 1.00 13.95 A N +ATOM 2827 CA ILE A 443 -10.407 67.492 106.108 1.00 12.55 A C +ATOM 2828 C ILE A 443 -11.758 66.873 105.732 1.00 13.56 A C +ATOM 2829 O ILE A 443 -12.021 65.684 106.027 1.00 11.40 A O +ATOM 2830 CB ILE A 443 -9.511 67.615 104.825 1.00 12.10 A C +ATOM 2831 CG1 ILE A 443 -9.380 66.371 104.034 1.00 10.43 A C +ATOM 2832 CG2 ILE A 443 -8.110 67.960 105.246 1.00 11.73 A C +ATOM 2833 CD1 ILE A 443 -8.916 66.907 102.674 1.00 10.19 A C +ATOM 2834 N VAL A 444 -12.582 67.731 105.108 1.00 11.93 A N +ATOM 2835 CA VAL A 444 -13.876 67.382 104.583 1.00 9.61 A C +ATOM 2836 C VAL A 444 -13.857 68.202 103.277 1.00 8.06 A C +ATOM 2837 O VAL A 444 -13.299 69.305 103.277 1.00 7.18 A O +ATOM 2838 CB VAL A 444 -14.988 67.780 105.627 1.00 9.79 A C +ATOM 2839 CG1 VAL A 444 -15.211 69.267 105.804 1.00 11.59 A C +ATOM 2840 CG2 VAL A 444 -16.263 67.169 105.151 1.00 7.12 A C +ATOM 2841 N VAL A 445 -14.340 67.712 102.147 1.00 8.70 A N +ATOM 2842 CA VAL A 445 -14.335 68.427 100.861 1.00 9.45 A C +ATOM 2843 C VAL A 445 -15.615 68.124 100.107 1.00 10.94 A C +ATOM 2844 O VAL A 445 -16.190 67.017 100.162 1.00 13.91 A O +ATOM 2845 CB VAL A 445 -13.027 68.063 100.014 1.00 10.23 A C +ATOM 2846 CG1 VAL A 445 -12.498 66.741 100.366 1.00 9.12 A C +ATOM 2847 CG2 VAL A 445 -13.295 68.046 98.508 1.00 7.86 A C +ATOM 2848 N PHE A 446 -16.140 69.203 99.540 1.00 11.60 A N +ATOM 2849 CA PHE A 446 -17.384 69.257 98.787 1.00 11.82 A C +ATOM 2850 C PHE A 446 -17.124 69.742 97.369 1.00 13.30 A C +ATOM 2851 O PHE A 446 -16.144 70.484 97.190 1.00 14.57 A O +ATOM 2852 CB PHE A 446 -18.328 70.224 99.455 1.00 11.56 A C +ATOM 2853 CG PHE A 446 -19.030 69.603 100.656 1.00 11.93 A C +ATOM 2854 CD1 PHE A 446 -18.302 69.144 101.726 1.00 12.46 A C +ATOM 2855 CD2 PHE A 446 -20.406 69.520 100.641 1.00 10.51 A C +ATOM 2856 CE1 PHE A 446 -18.968 68.592 102.792 1.00 12.35 A C +ATOM 2857 CE2 PHE A 446 -21.070 68.971 101.705 1.00 11.23 A C +ATOM 2858 CZ PHE A 446 -20.350 68.512 102.782 1.00 12.09 A C +ATOM 2859 N CYS A 447 -17.913 69.354 96.356 1.00 15.02 A N +ATOM 2860 CA CYS A 447 -17.709 69.854 95.006 1.00 15.93 A C +ATOM 2861 C CYS A 447 -18.976 70.498 94.486 1.00 17.94 A C +ATOM 2862 O CYS A 447 -20.063 70.176 94.976 1.00 19.22 A O +ATOM 2863 CB CYS A 447 -17.372 68.808 93.988 1.00 16.02 A C +ATOM 2864 SG CYS A 447 -15.600 68.504 93.860 1.00 15.64 A S +ATOM 2865 N GLY A 448 -18.918 71.460 93.563 1.00 20.01 A N +ATOM 2866 CA GLY A 448 -20.117 72.077 93.030 1.00 21.22 A C +ATOM 2867 C GLY A 448 -21.004 71.029 92.373 1.00 21.24 A C +ATOM 2868 O GLY A 448 -20.539 69.949 92.005 1.00 20.75 A O +ATOM 2869 N THR A 449 -22.294 71.304 92.248 1.00 21.69 A N +ATOM 2870 CA THR A 449 -23.212 70.367 91.625 1.00 23.33 A C +ATOM 2871 C THR A 449 -24.327 71.184 90.997 1.00 24.79 A C +ATOM 2872 O THR A 449 -24.625 72.278 91.492 1.00 26.54 A O +ATOM 2873 CB THR A 449 -23.800 69.387 92.663 1.00 22.30 A C +ATOM 2874 CG2 THR A 449 -24.445 70.000 93.873 1.00 22.95 A C +ATOM 2875 OG1 THR A 449 -24.825 68.707 91.962 1.00 22.49 A O +ATOM 2876 N SER A 450 -24.885 70.728 89.880 1.00 24.12 A N +ATOM 2877 CA SER A 450 -25.987 71.409 89.240 1.00 24.25 A C +ATOM 2878 C SER A 450 -27.275 70.637 89.544 1.00 24.34 A C +ATOM 2879 O SER A 450 -28.365 70.995 89.097 1.00 26.13 A O +ATOM 2880 CB SER A 450 -25.731 71.451 87.779 1.00 24.56 A C +ATOM 2881 OG SER A 450 -25.249 70.166 87.398 1.00 28.32 A O +ATOM 2882 N GLY A 451 -27.162 69.561 90.329 1.00 22.74 A N +ATOM 2883 CA GLY A 451 -28.286 68.755 90.706 1.00 19.46 A C +ATOM 2884 C GLY A 451 -28.890 69.293 91.973 1.00 17.58 A C +ATOM 2885 O GLY A 451 -28.700 70.464 92.293 1.00 18.71 A O +ATOM 2886 N THR A 452 -29.383 68.385 92.794 1.00 15.37 A N +ATOM 2887 CA THR A 452 -30.082 68.704 94.027 1.00 16.64 A C +ATOM 2888 C THR A 452 -29.369 68.194 95.249 1.00 13.84 A C +ATOM 2889 O THR A 452 -28.512 67.341 95.120 1.00 16.46 A O +ATOM 2890 CB THR A 452 -31.490 68.088 93.864 1.00 18.62 A C +ATOM 2891 CG2 THR A 452 -32.467 68.358 94.974 1.00 20.41 A C +ATOM 2892 OG1 THR A 452 -31.993 68.684 92.681 1.00 20.94 A O +ATOM 2893 N TYR A 453 -29.717 68.582 96.461 1.00 11.95 A N +ATOM 2894 CA TYR A 453 -28.991 68.111 97.601 1.00 9.87 A C +ATOM 2895 C TYR A 453 -29.839 68.376 98.829 1.00 10.07 A C +ATOM 2896 O TYR A 453 -30.866 69.048 98.712 1.00 9.74 A O +ATOM 2897 CB TYR A 453 -27.653 68.859 97.610 1.00 12.34 A C +ATOM 2898 CG TYR A 453 -27.756 70.366 97.512 1.00 12.78 A C +ATOM 2899 CD1 TYR A 453 -27.944 71.081 98.688 1.00 13.87 A C +ATOM 2900 CD2 TYR A 453 -27.658 71.014 96.280 1.00 12.94 A C +ATOM 2901 CE1 TYR A 453 -28.041 72.452 98.619 1.00 13.61 A C +ATOM 2902 CE2 TYR A 453 -27.743 72.389 96.229 1.00 12.60 A C +ATOM 2903 CZ TYR A 453 -27.940 73.101 97.402 1.00 13.02 A C +ATOM 2904 OH TYR A 453 -28.059 74.511 97.382 1.00 15.06 A O +ATOM 2905 N GLY A 454 -29.412 67.956 100.003 1.00 9.82 A N +ATOM 2906 CA GLY A 454 -30.205 68.124 101.174 1.00 8.17 A C +ATOM 2907 C GLY A 454 -29.394 68.864 102.187 1.00 11.13 A C +ATOM 2908 O GLY A 454 -28.652 69.787 101.842 1.00 10.48 A O +ATOM 2909 N THR A 455 -29.435 68.449 103.429 1.00 11.75 A N +ATOM 2910 CA THR A 455 -28.722 69.137 104.470 1.00 14.15 A C +ATOM 2911 C THR A 455 -27.859 68.177 105.306 1.00 16.96 A C +ATOM 2912 O THR A 455 -28.007 66.933 105.246 1.00 18.07 A O +ATOM 2913 CB THR A 455 -29.947 69.849 105.126 1.00 17.13 A C +ATOM 2914 CG2 THR A 455 -29.786 70.140 106.587 1.00 16.56 A C +ATOM 2915 OG1 THR A 455 -30.165 71.065 104.354 1.00 17.25 A O +ATOM 2916 N GLY A 456 -26.927 68.687 106.102 1.00 15.84 A N +ATOM 2917 CA GLY A 456 -26.112 67.863 106.962 1.00 15.95 A C +ATOM 2918 C GLY A 456 -25.101 68.776 107.642 1.00 18.06 A C +ATOM 2919 O GLY A 456 -25.185 69.992 107.487 1.00 18.51 A O +ATOM 2920 N SER A 457 -24.165 68.203 108.395 1.00 18.08 A N +ATOM 2921 CA SER A 457 -23.092 68.893 109.078 1.00 18.80 A C +ATOM 2922 C SER A 457 -22.081 67.783 109.110 1.00 18.66 A C +ATOM 2923 O SER A 457 -22.375 66.698 109.629 1.00 19.99 A O +ATOM 2924 CB SER A 457 -23.390 69.236 110.499 1.00 18.80 A C +ATOM 2925 OG SER A 457 -22.195 69.657 111.136 1.00 18.83 A O +ATOM 2926 N TRP A 458 -20.879 68.002 108.629 1.00 18.61 A N +ATOM 2927 CA TRP A 458 -19.864 66.959 108.624 1.00 17.71 A C +ATOM 2928 C TRP A 458 -18.589 67.460 109.283 1.00 16.37 A C +ATOM 2929 O TRP A 458 -17.649 67.908 108.631 1.00 13.99 A O +ATOM 2930 CB TRP A 458 -19.588 66.549 107.175 1.00 18.94 A C +ATOM 2931 CG TRP A 458 -20.776 66.000 106.377 1.00 19.61 A C +ATOM 2932 CD1 TRP A 458 -20.871 64.664 106.148 1.00 19.51 A C +ATOM 2933 CD2 TRP A 458 -21.745 66.721 105.721 1.00 19.72 A C +ATOM 2934 CE2 TRP A 458 -22.422 65.717 105.063 1.00 19.95 A C +ATOM 2935 CE3 TRP A 458 -22.146 68.033 105.587 1.00 20.00 A C +ATOM 2936 NE1 TRP A 458 -21.867 64.534 105.330 1.00 19.92 A N +ATOM 2937 CZ2 TRP A 458 -23.496 65.977 104.244 1.00 19.65 A C +ATOM 2938 CZ3 TRP A 458 -23.228 68.302 104.773 1.00 19.81 A C +ATOM 2939 CH2 TRP A 458 -23.889 67.289 104.097 1.00 20.01 A C +ATOM 2940 N PRO A 459 -18.525 67.439 110.592 1.00 15.18 A N +ATOM 2941 CA PRO A 459 -17.374 67.874 111.362 1.00 15.68 A C +ATOM 2942 C PRO A 459 -16.232 66.878 111.497 1.00 17.34 A C +ATOM 2943 O PRO A 459 -16.359 65.712 111.110 1.00 20.09 A O +ATOM 2944 CB PRO A 459 -17.982 68.232 112.701 1.00 14.92 A C +ATOM 2945 CG PRO A 459 -18.992 67.163 112.878 1.00 13.87 A C +ATOM 2946 CD PRO A 459 -19.638 67.097 111.487 1.00 15.50 A C +ATOM 2947 N ASP A 460 -15.163 67.255 112.195 1.00 17.89 A N +ATOM 2948 CA ASP A 460 -14.036 66.374 112.418 1.00 19.38 A C +ATOM 2949 C ASP A 460 -14.503 65.058 113.040 1.00 19.75 A C +ATOM 2950 O ASP A 460 -14.244 63.992 112.474 1.00 20.58 A O +ATOM 2951 CB ASP A 460 -13.015 67.067 113.328 1.00 18.70 A C +ATOM 2952 CG ASP A 460 -11.918 66.130 113.795 1.00 20.18 A C +ATOM 2953 OD1 ASP A 460 -11.134 65.674 112.975 1.00 19.93 A O +ATOM 2954 OD2 ASP A 460 -11.881 65.827 114.990 1.00 20.48 A O1- +ATOM 2955 N GLY A 461 -15.112 65.073 114.218 1.00 19.64 A N +ATOM 2956 CA GLY A 461 -15.599 63.838 114.796 1.00 19.30 A C +ATOM 2957 C GLY A 461 -14.828 63.285 115.974 1.00 19.97 A C +ATOM 2958 O GLY A 461 -15.405 62.530 116.767 1.00 20.93 A O +ATOM 2959 N ALA A 462 -13.557 63.615 116.153 1.00 18.61 A N +ATOM 2960 CA ALA A 462 -12.820 63.045 117.263 1.00 19.37 A C +ATOM 2961 C ALA A 462 -13.327 63.428 118.613 1.00 20.07 A C +ATOM 2962 O ALA A 462 -13.814 64.520 118.759 1.00 20.89 A O +ATOM 2963 CB ALA A 462 -11.375 63.446 117.213 1.00 18.69 A C +ATOM 2964 N ASN A 463 -13.389 62.572 119.616 1.00 22.31 A N +ATOM 2965 CA ASN A 463 -13.843 62.999 120.935 1.00 24.03 A C +ATOM 2966 C ASN A 463 -12.530 63.264 121.588 1.00 25.69 A C +ATOM 2967 O ASN A 463 -11.762 62.326 121.808 1.00 26.41 A O +ATOM 2968 CB ASN A 463 -14.572 61.892 121.671 1.00 25.14 A C +ATOM 2969 CG ASN A 463 -14.953 62.210 123.104 1.00 25.99 A C +ATOM 2970 ND2 ASN A 463 -16.055 61.684 123.587 1.00 27.35 A N +ATOM 2971 OD1 ASN A 463 -14.252 62.882 123.854 1.00 27.33 A O +ATOM 2972 N ILE A 464 -12.264 64.522 121.900 1.00 28.25 A N +ATOM 2973 CA ILE A 464 -11.016 64.952 122.516 1.00 28.76 A C +ATOM 2974 C ILE A 464 -10.640 64.171 123.768 1.00 30.41 A C +ATOM 2975 O ILE A 464 -9.447 64.040 124.071 1.00 31.32 A O +ATOM 2976 CB ILE A 464 -11.201 66.507 122.713 1.00 28.47 A C +ATOM 2977 CG1 ILE A 464 -10.078 67.194 121.927 1.00 27.84 A C +ATOM 2978 CG2 ILE A 464 -11.263 66.927 124.160 1.00 28.37 A C +ATOM 2979 CD1 ILE A 464 -8.647 67.088 122.413 1.00 27.80 A C +ATOM 2980 N ASN A 465 -11.610 63.589 124.473 1.00 30.88 A N +ATOM 2981 CA ASN A 465 -11.298 62.837 125.671 1.00 31.94 A C +ATOM 2982 C ASN A 465 -10.754 61.444 125.423 1.00 32.27 A C +ATOM 2983 O ASN A 465 -10.362 60.739 126.359 1.00 32.96 A O +ATOM 2984 CB ASN A 465 -12.509 62.699 126.528 1.00 33.53 A C +ATOM 2985 CG ASN A 465 -12.903 64.015 127.147 1.00 35.18 A C +ATOM 2986 ND2 ASN A 465 -12.110 64.646 128.005 1.00 35.43 A N +ATOM 2987 OD1 ASN A 465 -13.979 64.517 126.845 1.00 36.95 A O +ATOM 2988 N PHE A 466 -10.771 61.001 124.172 1.00 30.72 A N +ATOM 2989 CA PHE A 466 -10.265 59.696 123.819 1.00 29.49 A C +ATOM 2990 C PHE A 466 -8.881 59.757 123.231 1.00 29.53 A C +ATOM 2991 O PHE A 466 -8.228 58.728 123.069 1.00 30.38 A O +ATOM 2992 CB PHE A 466 -11.116 59.048 122.772 1.00 29.38 A C +ATOM 2993 CG PHE A 466 -12.526 58.733 123.196 1.00 29.13 A C +ATOM 2994 CD1 PHE A 466 -12.904 58.761 124.527 1.00 28.54 A C +ATOM 2995 CD2 PHE A 466 -13.413 58.398 122.206 1.00 29.06 A C +ATOM 2996 CE1 PHE A 466 -14.192 58.476 124.881 1.00 28.25 A C +ATOM 2997 CE2 PHE A 466 -14.707 58.111 122.564 1.00 29.08 A C +ATOM 2998 CZ PHE A 466 -15.089 58.140 123.893 1.00 29.58 A C +ATOM 2999 N MET A 467 -8.466 60.957 122.829 1.00 28.70 A N +ATOM 3000 CA MET A 467 -7.187 61.180 122.182 1.00 26.78 A C +ATOM 3001 C MET A 467 -6.003 60.927 123.048 1.00 26.93 A C +ATOM 3002 O MET A 467 -6.047 61.231 124.228 1.00 27.41 A O +ATOM 3003 CB MET A 467 -7.123 62.579 121.700 1.00 25.43 A C +ATOM 3004 CG MET A 467 -8.210 62.886 120.706 1.00 24.55 A C +ATOM 3005 SD MET A 467 -8.207 61.721 119.342 1.00 24.21 A S +ATOM 3006 CE MET A 467 -6.740 62.184 118.490 1.00 23.05 A C +ATOM 3007 N PRO A 468 -4.917 60.363 122.554 1.00 27.55 A N +ATOM 3008 CA PRO A 468 -3.626 60.520 123.180 1.00 28.45 A C +ATOM 3009 C PRO A 468 -3.349 62.019 123.374 1.00 30.11 A C +ATOM 3010 O PRO A 468 -3.758 62.838 122.527 1.00 31.04 A O +ATOM 3011 CB PRO A 468 -2.728 59.787 122.219 1.00 28.04 A C +ATOM 3012 CG PRO A 468 -3.447 59.759 120.900 1.00 27.52 A C +ATOM 3013 CD PRO A 468 -4.861 59.546 121.355 1.00 27.88 A C +ATOM 3014 N ILE A 469 -2.729 62.398 124.492 1.00 30.36 A N +ATOM 3015 CA ILE A 469 -2.456 63.804 124.734 1.00 31.35 A C +ATOM 3016 C ILE A 469 -1.101 64.242 124.200 1.00 32.25 A C +ATOM 3017 O ILE A 469 -0.245 63.393 123.999 1.00 34.23 A O +ATOM 3018 CB ILE A 469 -2.516 64.141 126.230 1.00 30.28 A C +ATOM 3019 CG1 ILE A 469 -1.580 63.303 127.041 1.00 30.06 A C +ATOM 3020 CG2 ILE A 469 -3.949 63.971 126.654 1.00 29.81 A C +ATOM 3021 CD1 ILE A 469 -1.320 64.025 128.357 1.00 30.84 A C +ATOM 3022 OXT ILE A 469 -0.914 65.422 123.959 1.00 32.42 A O1- +TER END diff --git a/examples/docking-protein-ligand/data/oseltamivir_zwitterion-centered.pdb b/examples/docking-protein-ligand/data/oseltamivir_zwitterion-centered.pdb new file mode 100644 index 0000000000..01c5e3327d --- /dev/null +++ b/examples/docking-protein-ligand/data/oseltamivir_zwitterion-centered.pdb @@ -0,0 +1,89 @@ +HETATM 1 C1 G39 B 500 -3.025 80.782 110.942 1.00 31.18 B C +HETATM 2 O1A G39 B 500 -3.636 81.879 110.998 1.00 30.30 B O +HETATM 3 O1B G39 B 500 -3.567 79.723 111.340 1.00 31.23 B O +HETATM 4 C2 G39 B 500 -1.651 80.740 110.409 1.00 30.48 B C +HETATM 5 C3 G39 B 500 -0.943 79.410 110.260 1.00 30.04 B C +HETATM 6 C4 G39 B 500 0.093 79.431 109.132 1.00 30.37 B C +HETATM 7 N4 G39 B 500 0.917 78.238 109.241 1.00 30.09 B N1+ +HETATM 8 C5 G39 B 500 0.966 80.691 109.164 1.00 29.53 B C +HETATM 9 N5 G39 B 500 1.947 80.677 108.092 1.00 28.16 B N +HETATM 10 C6 G39 B 500 0.118 81.958 109.065 1.00 30.53 B C +HETATM 11 C7 G39 B 500 -1.023 81.887 110.069 1.00 30.75 B C +HETATM 12 O7 G39 B 500 0.919 83.133 109.320 1.00 31.80 B O +HETATM 13 C8 G39 B 500 0.893 84.122 108.269 1.00 30.52 B C +HETATM 14 C9 G39 B 500 -0.455 84.855 108.189 1.00 31.36 B C +HETATM 15 C10 G39 B 500 3.265 80.575 108.300 1.00 27.13 B C +HETATM 16 O10 G39 B 500 3.787 80.702 109.401 1.00 26.14 B O +HETATM 17 C11 G39 B 500 4.088 80.286 107.080 1.00 26.05 B C +HETATM 18 C81 G39 B 500 2.001 85.154 108.476 1.00 29.88 B C +HETATM 19 C82 G39 B 500 3.389 84.594 108.252 1.00 28.23 B C +HETATM 20 C91 G39 B 500 -0.795 85.628 109.453 1.00 32.33 B C +HETATM 21 H01 G39 B 500 1.200 78.111 110.202 1.00 30.09 B H +HETATM 22 H02 G39 B 500 0.124 85.973 109.928 1.00 32.33 B H +HETATM 23 H03 G39 B 500 -1.684 78.639 110.045 1.00 30.04 B H +HETATM 24 H04 G39 B 500 -0.435 79.444 108.178 1.00 30.37 B H +HETATM 25 H05 G39 B 500 1.736 78.340 108.659 1.00 30.09 B H +HETATM 26 H06 G39 B 500 1.488 80.695 110.120 1.00 29.53 B H +HETATM 27 H07 G39 B 500 1.617 80.747 107.140 1.00 28.16 B H +HETATM 28 H08 G39 B 500 -0.285 82.029 108.055 1.00 30.53 B H +HETATM 29 H09 G39 B 500 -1.351 82.814 110.539 1.00 30.75 B H +HETATM 30 H10 G39 B 500 1.049 83.584 107.334 1.00 30.52 B H +HETATM 31 H11 G39 B 500 -1.239 84.120 108.011 1.00 31.36 B H +HETATM 32 H12 G39 B 500 4.908 79.617 107.344 1.00 26.05 B H +HETATM 33 H13 G39 B 500 1.939 85.529 109.498 1.00 29.88 B H +HETATM 34 H14 G39 B 500 3.935 84.586 109.195 1.00 28.23 B H +HETATM 35 H15 G39 B 500 -1.338 84.980 110.140 1.00 32.33 B H +HETATM 36 H16 G39 B 500 -0.418 79.204 111.193 1.00 30.04 B H +HETATM 37 H17 G39 B 500 0.387 77.434 108.937 1.00 30.09 B H +HETATM 38 H18 G39 B 500 -0.379 85.580 107.379 1.00 31.36 B H +HETATM 39 H19 G39 B 500 4.492 81.217 106.684 1.00 26.05 B H +HETATM 40 H20 G39 B 500 1.848 85.944 107.741 1.00 29.88 B H +HETATM 41 H21 G39 B 500 3.920 85.215 107.530 1.00 28.23 B H +HETATM 42 H22 G39 B 500 -1.416 86.486 109.198 1.00 32.33 B H +HETATM 43 H23 G39 B 500 3.462 79.811 106.324 1.00 26.05 B H +HETATM 44 H24 G39 B 500 3.312 83.576 107.868 1.00 28.23 B H +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 5 11 +CONECT 5 4 6 23 36 +CONECT 6 5 7 8 24 +CONECT 7 6 21 25 37 +CONECT 8 6 9 10 26 +CONECT 9 8 15 27 +CONECT 10 8 11 12 28 +CONECT 11 4 10 29 +CONECT 12 10 13 +CONECT 13 12 14 18 30 +CONECT 14 13 20 31 38 +CONECT 15 9 16 17 +CONECT 16 15 +CONECT 17 15 32 39 43 +CONECT 18 13 19 33 40 +CONECT 19 18 34 41 44 +CONECT 20 14 22 35 42 +CONECT 21 7 +CONECT 22 20 +CONECT 23 5 +CONECT 24 6 +CONECT 25 7 +CONECT 26 8 +CONECT 27 9 +CONECT 28 10 +CONECT 29 11 +CONECT 30 13 +CONECT 31 14 +CONECT 32 17 +CONECT 33 18 +CONECT 34 19 +CONECT 35 20 +CONECT 36 5 +CONECT 37 7 +CONECT 38 14 +CONECT 39 17 +CONECT 40 18 +CONECT 41 19 +CONECT 42 20 +CONECT 43 17 +CONECT 44 19 +END diff --git a/examples/docking-protein-ligand/docking-protein-ligand-centered-full.cfg b/examples/docking-protein-ligand/docking-protein-ligand-centered-full.cfg new file mode 100644 index 0000000000..d0e1e07c10 --- /dev/null +++ b/examples/docking-protein-ligand/docking-protein-ligand-centered-full.cfg @@ -0,0 +1,79 @@ +# ==================================================================== +# Protein-ligand docking example, where ligans is pre-placed ("centered") at the binding site + +# directory in which the docking will be done +run_dir = "run1-centered" + +# execution mode +mode = "local" +ncores = 50 + +# molecules to be docked +molecules = [ + "data/neuraminidase-2BAT.pdb", + "data/oseltamivir_zwitterion-centered.pdb" + ] + +# ==================================================================== +[topoaa] +autohis = true +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +delenph = false + +[rigidbody] +tolerance = 5 +# Setting `separate = false` to keep the ligand in the binding site +separate = false +mol_fix_origin_1 = true +ambig_fname = "data/ambig-active-rigidbody.tbl" +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +sampling = 1000 +w_vdw = 0.0 +inter_rigid = 0.001 + +[caprieval] +reference_fname = "data/target.pdb" + +[seletop] +select = 200 + +[caprieval] +reference_fname = "data/target.pdb" + +[flexref] +tolerance = 5 +ambig_fname = "data/ambig-passive.tbl" +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +mdsteps_rigid = 0 +mdsteps_cool1 = 0 + +[caprieval] +reference_fname = "data/target.pdb" + +[ilrmsdmatrix] + +[clustrmsd] +criterion = 'distance' +linkage = 'average' +min_population = 4 +clust_cutoff = 1.5 + +[seletopclusts] +top_models = 4 + +[caprieval] +reference_fname = "data/target.pdb" + +# Running final caprieval with allatoms parameter set to true to also +# include the evaluation of protein side chains +# in both the alignment process and irmsd, ilrmsd computations +# NOTE that all ligand atoms are always considered even without this option. +[caprieval] +allatoms = true +reference_fname = "data/target.pdb" + +# ==================================================================== + diff --git a/examples/docking-protein-ligand/docking-protein-ligand-centered-test.cfg b/examples/docking-protein-ligand/docking-protein-ligand-centered-test.cfg new file mode 100644 index 0000000000..15a637f388 --- /dev/null +++ b/examples/docking-protein-ligand/docking-protein-ligand-centered-test.cfg @@ -0,0 +1,79 @@ +# ==================================================================== +# Protein-ligand docking example, where ligans is pre-placed ("cenetered") at the binding site + +# directory in which the docking will be done +run_dir = "run1-centered-test" + +# execution mode +mode = "local" +ncores = 50 + +# molecules to be docked +molecules = [ + "data/neuraminidase-2BAT.pdb", + "data/oseltamivir_zwitterion-centered.pdb" + ] + +# ==================================================================== +[topoaa] +autohis = true +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +delenph = false + +[rigidbody] +tolerance = 5 +# Setting `separate = false` to keep the ligand in the binding site +separate = false +mol_fix_origin_1 = true +ambig_fname = "data/ambig-active-rigidbody.tbl" +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +sampling = 20 +w_vdw = 0.0 +inter_rigid = 0.001 + +[caprieval] +reference_fname = "data/target.pdb" + +[seletop] +select = 5 + +[caprieval] +reference_fname = "data/target.pdb" + +[flexref] +tolerance = 5 +ambig_fname = "data/ambig-passive.tbl" +ligand_param_fname = "data/ligand-prodrg.param" +ligand_top_fname = "data/ligand-prodrg.top" +mdsteps_rigid = 0 +mdsteps_cool1 = 0 + +[caprieval] +reference_fname = "data/target.pdb" + +[ilrmsdmatrix] + +[clustrmsd] +criterion = 'distance' +linkage = 'average' +min_population = 1 +clust_cutoff = 1.5 + +[seletopclusts] +top_models = 4 + +[caprieval] +reference_fname = "data/target.pdb" + +# Running final caprieval with allatoms parameter set to true to also +# include the evaluation of protein side chains +# in both the alignment process and irmsd, ilrmsd computations +# NOTE that all ligand atoms are always considered even without this option. +[caprieval] +allatoms = true +reference_fname = "data/target.pdb" + +# ==================================================================== + diff --git a/src/haddock/modules/refinement/flexref/cns/flexref.cns b/src/haddock/modules/refinement/flexref/cns/flexref.cns index c1ee6d960a..b6e18b1c2c 100644 --- a/src/haddock/modules/refinement/flexref/cns/flexref.cns +++ b/src/haddock/modules/refinement/flexref/cns/flexref.cns @@ -22,7 +22,8 @@ end if ! Initialisation of variables !==================================================================! -evaluate ($saprotocol.randorien=$randorien) +evaluate ($saprotocol.randrot=$randrot) +evaluate ($saprotocol.separate=$separate) evaluate ($saprotocol.tadhigh_t=$temp_high) evaluate ($saprotocol.t1_init=$temp_cool1_init) evaluate ($saprotocol.t2_init=$temp_cool2_init) @@ -227,8 +228,10 @@ if ($select gt 0) then end if ! random placement of molecules -if ($SaProtocol.randorien eq true) then +if ($SaProtocol.separate eq true) then @MODULE:separate.cns +end if +if ($SaProtocol.randrot eq true) then @MODULE:random_rotations.cns end if diff --git a/src/haddock/modules/refinement/flexref/cns/random_rotations.cns b/src/haddock/modules/refinement/flexref/cns/random_rotations.cns index a50e9f5624..d7f4db0e3d 100644 --- a/src/haddock/modules/refinement/flexref/cns/random_rotations.cns +++ b/src/haddock/modules/refinement/flexref/cns/random_rotations.cns @@ -23,20 +23,6 @@ while ($ncount < $data.ncomponents) loop fixed end if end loop fixed -if ($homosymmetry eq false) then - ! Random translation within a 10A cube - evaluate ($ncount = 0) - while ($ncount < $data.ncomponents) loop randtrans - evaluate ($ncount = $ncount +1) - if ($mol_fix_origin_$ncount eq false) then - evaluate ($xd = 10.0 * (0.5 - ran())) - evaluate ($yd = 10.0 * (0.5 - ran())) - evaluate ($zd = 10.0 * (0.5 - ran())) - coor trans sele=(segid $prot_segid_$ncount or segid $watersegname_$ncount) vector=($xd,$yd,$zd) end - end if - end loop randtrans -end if - ! Random rotation of molecules evaluate ($ncount = 0) evaluate ($nrotset = 0) @@ -105,76 +91,79 @@ while ($ncount < $data.ncomponents) loop randrot end loop randrot -! If there are fixed molecules, randomly rotate as one unit all non-fixed ones -! around the geometric center of the fixed ones - -show sum (store4) (all) +if ($SaProtocol.separate eq true) then + ! If separate = true and + ! if there are fixed molecules, randomly rotate as one unit all non-fixed ones + ! around the geometric center of the fixed ones -if ($result > 0) then + show sum (store4) (all) - show ave (x) (attribute store4 = 1) - evaluate ($xc = $result) - show ave (y) (attribute store4 = 1) - evaluate ($yc = $result) - show ave (z) (attribute store4 = 1) - evaluate ($zc = $result) + if ($result > 0) then - ! Random rotation for each molecule except for symmtrical homomers for which - ! the same rotation is applied to all molecules to keep the symmetry - if ($nrotset = 0) then - !1. Generate random e1 e2 e3 and e4 in [-1, 1] so that e1^2 + e2^2 < 1 and e3^2+e4^2 < 1 - evaluate ($RRM_e1 = ran () * 2 - 1) - evaluate ($RRM_e2 = ran () * 2 - 1) - evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) + show ave (x) (attribute store4 = 1) + evaluate ($xc = $result) + show ave (y) (attribute store4 = 1) + evaluate ($yc = $result) + show ave (z) (attribute store4 = 1) + evaluate ($zc = $result) - while ( $RRM_s1 >= 1) loop s1loop + ! Random rotation for each molecule except for symmtrical homomers for which + ! the same rotation is applied to all molecules to keep the symmetry + if ($nrotset = 0) then + !1. Generate random e1 e2 e3 and e4 in [-1, 1] so that e1^2 + e2^2 < 1 and e3^2+e4^2 < 1 evaluate ($RRM_e1 = ran () * 2 - 1) evaluate ($RRM_e2 = ran () * 2 - 1) evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) - end loop s1loop - evaluate ($RRM_e3 = ran () * 2 - 1) - evaluate ($RRM_e4 = ran () * 2 - 1) - evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) - while ( $RRM_s2 >= 1) loop s2loop + while ( $RRM_s1 >= 1) loop s1loop + evaluate ($RRM_e1 = ran () * 2 - 1) + evaluate ($RRM_e2 = ran () * 2 - 1) + evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) + end loop s1loop + evaluate ($RRM_e3 = ran () * 2 - 1) evaluate ($RRM_e4 = ran () * 2 - 1) evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) - end loop s2loop - - !2. the quaternion q0 q1 q2 q3 - evaluate($RRM_q0 = $RRM_e1) - evaluate($RRM_q1 = $RRM_e2) - evaluate($RRM_q2 = $RRM_e3 * sqrt((1 - $RRM_s1)/$RRM_s2) ) - evaluate($RRM_q3 = $RRM_e4 * sqrt((1 - $RRM_s1)/$RRM_s2) ) - - !3. The rotation matrix from the quaternion - evaluate ($x1 = $RRM_q0 * $RRM_q0 + $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) - evaluate ($x2 = 2 * ($RRM_q1 * $RRM_q2 - $RRM_q0 * $RRM_q3) ) - evaluate ($x3 = 2 * ($RRM_q1 * $RRM_q3 + $RRM_q0 * $RRM_q2) ) - evaluate ($y1 = 2 * ($RRM_q1 * $RRM_q2 + $RRM_q0 * $RRM_q3) ) - evaluate ($y2 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 + $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) - evaluate ($y3 = 2 * ($RRM_q2 * $RRM_q3 - $RRM_q0 * $RRM_q1) ) - evaluate ($z1 = 2 * ($RRM_q1 * $RRM_q3 - $RRM_q0 * $RRM_q2) ) - evaluate ($z2 = 2 * ($RRM_q2 * $RRM_q3 + $RRM_q0 * $RRM_q1) ) - evaluate ($z3 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 + $RRM_q3 * $RRM_q3) - - if ($homosymmetry eq true) then - evaluate ($nrotset = 1) + while ( $RRM_s2 >= 1) loop s2loop + evaluate ($RRM_e3 = ran () * 2 - 1) + evaluate ($RRM_e4 = ran () * 2 - 1) + evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) + end loop s2loop + + !2. the quaternion q0 q1 q2 q3 + evaluate($RRM_q0 = $RRM_e1) + evaluate($RRM_q1 = $RRM_e2) + evaluate($RRM_q2 = $RRM_e3 * sqrt((1 - $RRM_s1)/$RRM_s2) ) + evaluate($RRM_q3 = $RRM_e4 * sqrt((1 - $RRM_s1)/$RRM_s2) ) + + !3. The rotation matrix from the quaternion + evaluate ($x1 = $RRM_q0 * $RRM_q0 + $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) + evaluate ($x2 = 2 * ($RRM_q1 * $RRM_q2 - $RRM_q0 * $RRM_q3) ) + evaluate ($x3 = 2 * ($RRM_q1 * $RRM_q3 + $RRM_q0 * $RRM_q2) ) + evaluate ($y1 = 2 * ($RRM_q1 * $RRM_q2 + $RRM_q0 * $RRM_q3) ) + evaluate ($y2 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 + $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) + evaluate ($y3 = 2 * ($RRM_q2 * $RRM_q3 - $RRM_q0 * $RRM_q1) ) + evaluate ($z1 = 2 * ($RRM_q1 * $RRM_q3 - $RRM_q0 * $RRM_q2) ) + evaluate ($z2 = 2 * ($RRM_q2 * $RRM_q3 + $RRM_q0 * $RRM_q1) ) + evaluate ($z3 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 + $RRM_q3 * $RRM_q3) + + if ($homosymmetry eq true) then + evaluate ($nrotset = 1) + end if end if - end if - !4. The rotation - coor - center=($xc $yc $zc) - rotate matrix=($x1 $x2 $x3) ($y1 $y2 $y3) ($z1 $z2 $z3) - sele=(attribute store4 = 0) - end + !4. The rotation + coor + center=($xc $yc $zc) + rotate matrix=($x1 $x2 $x3) ($y1 $y2 $y3) ($z1 $z2 $z3) + sele=(attribute store4 = 0) + end + end if end if do (x = refx) (resn ANI or resn DAN or resn XAN or resn SHA) do (y = refy) (resn ANI or resn DAN or resn XAN or resn SHA) do (z = refz) (resn ANI or resn DAN or resn XAN or resn SHA) -!evaluate ($outname = "MODULE:" + "begin/" + $Filenames.fileroot + "_init_" + encode($count) + ".pdb") -!write coor format=pdbo output=$outname end +!evaluate ($outname = $output_pdb_filename - ".pdb" + "_init.pdb") +!write coordinates format=pdbo output=$outname end diff --git a/src/haddock/modules/refinement/flexref/cns/separate.cns b/src/haddock/modules/refinement/flexref/cns/separate.cns index b25ebaee28..f146eecb92 100644 --- a/src/haddock/modules/refinement/flexref/cns/separate.cns +++ b/src/haddock/modules/refinement/flexref/cns/separate.cns @@ -37,7 +37,7 @@ if ($nfixed < $data.ncomponents) then show ave (y) (attribute store4 = 1) evaluate ($yc = $result) show ave (z) (attribute store4 = 1) - evaluatee ($zc = $result) + evaluate ($zc = $result) end if do (xcomp = x) (all) @@ -234,3 +234,18 @@ if ($nfixed < $data.ncomponents) then do (z = refz) (resn ANI or resn DAN or resn XAN) end if + +if ($homosymmetry eq false) then + ! Random translation within a 10A cube + evaluate ($ncount = 0) + while ($ncount < $data.ncomponents) loop randtrans + evaluate ($ncount = $ncount +1) + if ($mol_fix_origin_$ncount eq false) then + evaluate ($xd = 10.0 * (0.5 - ran())) + evaluate ($yd = 10.0 * (0.5 - ran())) + evaluate ($zd = 10.0 * (0.5 - ran())) + coor trans sele=(segid $prot_segid_$ncount or segid $watersegname_$ncount) vector=($xd,$yd,$zd) end + end if + end loop randtrans +end if + diff --git a/src/haddock/modules/refinement/flexref/defaults.yaml b/src/haddock/modules/refinement/flexref/defaults.yaml index 1f716e5cd6..95a2da06cd 100644 --- a/src/haddock/modules/refinement/flexref/defaults.yaml +++ b/src/haddock/modules/refinement/flexref/defaults.yaml @@ -1750,14 +1750,23 @@ mdsteps_cool3: long: Number of MD steps for the third cooling phase of torsion angle dynamics of the simulated annealing protocol with flexible side-chains and backbone at the interface. Full flexibility is applied to the segments defined as fully flexible (see nfle and related parameters). group: 'sampling' explevel: expert -randorien: +separate: default: false type: boolean - title: Randomize starting orientations - short: Randomize starting orientations - long: Randomize starting orientations by separating the molecules in space and randomly rotating those + title: Separate molecules + short: Translate molecules to separate them + long: Translate molecules to separate them ensuring a minimum distance + that allows rotations (controlled by the randrot parameter) without clashes group: 'sampling' - explevel: guru + explevel: easy +randrot: + default: false + type: boolean + title: Random rotations + short: Randomly rotate the molecules around their respective center of mass + long: Randomly rotate the molecules around their respective center of mass + group: 'sampling' + explevel: easy timestep: default: 0.002 type: float diff --git a/src/haddock/modules/sampling/rigidbody/cns/random_rotations.cns b/src/haddock/modules/sampling/rigidbody/cns/random_rotations.cns index a50e9f5624..d7f4db0e3d 100644 --- a/src/haddock/modules/sampling/rigidbody/cns/random_rotations.cns +++ b/src/haddock/modules/sampling/rigidbody/cns/random_rotations.cns @@ -23,20 +23,6 @@ while ($ncount < $data.ncomponents) loop fixed end if end loop fixed -if ($homosymmetry eq false) then - ! Random translation within a 10A cube - evaluate ($ncount = 0) - while ($ncount < $data.ncomponents) loop randtrans - evaluate ($ncount = $ncount +1) - if ($mol_fix_origin_$ncount eq false) then - evaluate ($xd = 10.0 * (0.5 - ran())) - evaluate ($yd = 10.0 * (0.5 - ran())) - evaluate ($zd = 10.0 * (0.5 - ran())) - coor trans sele=(segid $prot_segid_$ncount or segid $watersegname_$ncount) vector=($xd,$yd,$zd) end - end if - end loop randtrans -end if - ! Random rotation of molecules evaluate ($ncount = 0) evaluate ($nrotset = 0) @@ -105,76 +91,79 @@ while ($ncount < $data.ncomponents) loop randrot end loop randrot -! If there are fixed molecules, randomly rotate as one unit all non-fixed ones -! around the geometric center of the fixed ones - -show sum (store4) (all) +if ($SaProtocol.separate eq true) then + ! If separate = true and + ! if there are fixed molecules, randomly rotate as one unit all non-fixed ones + ! around the geometric center of the fixed ones -if ($result > 0) then + show sum (store4) (all) - show ave (x) (attribute store4 = 1) - evaluate ($xc = $result) - show ave (y) (attribute store4 = 1) - evaluate ($yc = $result) - show ave (z) (attribute store4 = 1) - evaluate ($zc = $result) + if ($result > 0) then - ! Random rotation for each molecule except for symmtrical homomers for which - ! the same rotation is applied to all molecules to keep the symmetry - if ($nrotset = 0) then - !1. Generate random e1 e2 e3 and e4 in [-1, 1] so that e1^2 + e2^2 < 1 and e3^2+e4^2 < 1 - evaluate ($RRM_e1 = ran () * 2 - 1) - evaluate ($RRM_e2 = ran () * 2 - 1) - evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) + show ave (x) (attribute store4 = 1) + evaluate ($xc = $result) + show ave (y) (attribute store4 = 1) + evaluate ($yc = $result) + show ave (z) (attribute store4 = 1) + evaluate ($zc = $result) - while ( $RRM_s1 >= 1) loop s1loop + ! Random rotation for each molecule except for symmtrical homomers for which + ! the same rotation is applied to all molecules to keep the symmetry + if ($nrotset = 0) then + !1. Generate random e1 e2 e3 and e4 in [-1, 1] so that e1^2 + e2^2 < 1 and e3^2+e4^2 < 1 evaluate ($RRM_e1 = ran () * 2 - 1) evaluate ($RRM_e2 = ran () * 2 - 1) evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) - end loop s1loop - evaluate ($RRM_e3 = ran () * 2 - 1) - evaluate ($RRM_e4 = ran () * 2 - 1) - evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) - while ( $RRM_s2 >= 1) loop s2loop + while ( $RRM_s1 >= 1) loop s1loop + evaluate ($RRM_e1 = ran () * 2 - 1) + evaluate ($RRM_e2 = ran () * 2 - 1) + evaluate ($RRM_s1 = ($RRM_e1)*($RRM_e1) + ($RRM_e2)*($RRM_e2)) + end loop s1loop + evaluate ($RRM_e3 = ran () * 2 - 1) evaluate ($RRM_e4 = ran () * 2 - 1) evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) - end loop s2loop - - !2. the quaternion q0 q1 q2 q3 - evaluate($RRM_q0 = $RRM_e1) - evaluate($RRM_q1 = $RRM_e2) - evaluate($RRM_q2 = $RRM_e3 * sqrt((1 - $RRM_s1)/$RRM_s2) ) - evaluate($RRM_q3 = $RRM_e4 * sqrt((1 - $RRM_s1)/$RRM_s2) ) - - !3. The rotation matrix from the quaternion - evaluate ($x1 = $RRM_q0 * $RRM_q0 + $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) - evaluate ($x2 = 2 * ($RRM_q1 * $RRM_q2 - $RRM_q0 * $RRM_q3) ) - evaluate ($x3 = 2 * ($RRM_q1 * $RRM_q3 + $RRM_q0 * $RRM_q2) ) - evaluate ($y1 = 2 * ($RRM_q1 * $RRM_q2 + $RRM_q0 * $RRM_q3) ) - evaluate ($y2 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 + $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) - evaluate ($y3 = 2 * ($RRM_q2 * $RRM_q3 - $RRM_q0 * $RRM_q1) ) - evaluate ($z1 = 2 * ($RRM_q1 * $RRM_q3 - $RRM_q0 * $RRM_q2) ) - evaluate ($z2 = 2 * ($RRM_q2 * $RRM_q3 + $RRM_q0 * $RRM_q1) ) - evaluate ($z3 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 + $RRM_q3 * $RRM_q3) - - if ($homosymmetry eq true) then - evaluate ($nrotset = 1) + while ( $RRM_s2 >= 1) loop s2loop + evaluate ($RRM_e3 = ran () * 2 - 1) + evaluate ($RRM_e4 = ran () * 2 - 1) + evaluate ($RRM_s2 = ($RRM_e3)*($RRM_e3) + ($RRM_e4)*($RRM_e4)) + end loop s2loop + + !2. the quaternion q0 q1 q2 q3 + evaluate($RRM_q0 = $RRM_e1) + evaluate($RRM_q1 = $RRM_e2) + evaluate($RRM_q2 = $RRM_e3 * sqrt((1 - $RRM_s1)/$RRM_s2) ) + evaluate($RRM_q3 = $RRM_e4 * sqrt((1 - $RRM_s1)/$RRM_s2) ) + + !3. The rotation matrix from the quaternion + evaluate ($x1 = $RRM_q0 * $RRM_q0 + $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) + evaluate ($x2 = 2 * ($RRM_q1 * $RRM_q2 - $RRM_q0 * $RRM_q3) ) + evaluate ($x3 = 2 * ($RRM_q1 * $RRM_q3 + $RRM_q0 * $RRM_q2) ) + evaluate ($y1 = 2 * ($RRM_q1 * $RRM_q2 + $RRM_q0 * $RRM_q3) ) + evaluate ($y2 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 + $RRM_q2 * $RRM_q2 - $RRM_q3 * $RRM_q3) + evaluate ($y3 = 2 * ($RRM_q2 * $RRM_q3 - $RRM_q0 * $RRM_q1) ) + evaluate ($z1 = 2 * ($RRM_q1 * $RRM_q3 - $RRM_q0 * $RRM_q2) ) + evaluate ($z2 = 2 * ($RRM_q2 * $RRM_q3 + $RRM_q0 * $RRM_q1) ) + evaluate ($z3 = $RRM_q0 * $RRM_q0 - $RRM_q1 * $RRM_q1 - $RRM_q2 * $RRM_q2 + $RRM_q3 * $RRM_q3) + + if ($homosymmetry eq true) then + evaluate ($nrotset = 1) + end if end if - end if - !4. The rotation - coor - center=($xc $yc $zc) - rotate matrix=($x1 $x2 $x3) ($y1 $y2 $y3) ($z1 $z2 $z3) - sele=(attribute store4 = 0) - end + !4. The rotation + coor + center=($xc $yc $zc) + rotate matrix=($x1 $x2 $x3) ($y1 $y2 $y3) ($z1 $z2 $z3) + sele=(attribute store4 = 0) + end + end if end if do (x = refx) (resn ANI or resn DAN or resn XAN or resn SHA) do (y = refy) (resn ANI or resn DAN or resn XAN or resn SHA) do (z = refz) (resn ANI or resn DAN or resn XAN or resn SHA) -!evaluate ($outname = "MODULE:" + "begin/" + $Filenames.fileroot + "_init_" + encode($count) + ".pdb") -!write coor format=pdbo output=$outname end +!evaluate ($outname = $output_pdb_filename - ".pdb" + "_init.pdb") +!write coordinates format=pdbo output=$outname end diff --git a/src/haddock/modules/sampling/rigidbody/cns/rigidbody.cns b/src/haddock/modules/sampling/rigidbody/cns/rigidbody.cns index 1440560335..876bc1a90d 100644 --- a/src/haddock/modules/sampling/rigidbody/cns/rigidbody.cns +++ b/src/haddock/modules/sampling/rigidbody/cns/rigidbody.cns @@ -24,7 +24,8 @@ end if !==================================================================! evaluate ($saprotocol.crossdock=$crossdock) -evaluate ($saprotocol.randorien=$randorien) +evaluate ($saprotocol.randrot=$randrot) +evaluate ($saprotocol.separate=$separate) evaluate ($saprotocol.rigidtrans=$rigidtrans) evaluate ($saprotocol.ntrials=$ntrials) evaluate ($saprotocol.inter_rigid=$inter_rigid) @@ -312,8 +313,10 @@ while ($nrig < $SaProtocol.ntrials) loop trials end if ! random placement of molecules - if ($SaProtocol.randorien eq true) then + if ($SaProtocol.separate eq true) then @MODULE:separate.cns + end if + if ($SaProtocol.randrot eq true) then @MODULE:random_rotations.cns end if @@ -342,7 +345,7 @@ while ($nrig < $SaProtocol.ntrials) loop trials evaluate ($imini = $imini + 1) eval ($ministeps = 500 * nint ($data.ncomponents/6 + 1)) - if ($SaProtocol.randorien eq true) then + if ($SaProtocol.separate eq true) then flag excl vdw elec end end if eval ($nchain1 = 0) diff --git a/src/haddock/modules/sampling/rigidbody/cns/separate.cns b/src/haddock/modules/sampling/rigidbody/cns/separate.cns index b25ebaee28..f146eecb92 100644 --- a/src/haddock/modules/sampling/rigidbody/cns/separate.cns +++ b/src/haddock/modules/sampling/rigidbody/cns/separate.cns @@ -37,7 +37,7 @@ if ($nfixed < $data.ncomponents) then show ave (y) (attribute store4 = 1) evaluate ($yc = $result) show ave (z) (attribute store4 = 1) - evaluatee ($zc = $result) + evaluate ($zc = $result) end if do (xcomp = x) (all) @@ -234,3 +234,18 @@ if ($nfixed < $data.ncomponents) then do (z = refz) (resn ANI or resn DAN or resn XAN) end if + +if ($homosymmetry eq false) then + ! Random translation within a 10A cube + evaluate ($ncount = 0) + while ($ncount < $data.ncomponents) loop randtrans + evaluate ($ncount = $ncount +1) + if ($mol_fix_origin_$ncount eq false) then + evaluate ($xd = 10.0 * (0.5 - ran())) + evaluate ($yd = 10.0 * (0.5 - ran())) + evaluate ($zd = 10.0 * (0.5 - ran())) + coor trans sele=(segid $prot_segid_$ncount or segid $watersegname_$ncount) vector=($xd,$yd,$zd) end + end if + end loop randtrans +end if + diff --git a/src/haddock/modules/sampling/rigidbody/defaults.yaml b/src/haddock/modules/sampling/rigidbody/defaults.yaml index ade524051f..b9781f7ba0 100644 --- a/src/haddock/modules/sampling/rigidbody/defaults.yaml +++ b/src/haddock/modules/sampling/rigidbody/defaults.yaml @@ -850,12 +850,21 @@ rotate180: If set to true, HADDOCK will rotate the molecule by 180 degree around an axis perpendicular to the interface. group: 'sampling' explevel: expert -randorien: +separate: default: true type: boolean - title: No title yet - short: No short description yet - long: No long description yet + title: Separate molecules + short: Translate molecules to separate them + long: Translate molecules to separate them ensuring a minimum distance + that allows rotations (controlled by the randrot parameter) without clashes + group: 'sampling' + explevel: easy +randrot: + default: true + type: boolean + title: Random rotations + short: Randomly rotate the molecules around their respective center of mass + long: Randomly rotate the molecules around their respective center of mass group: 'sampling' explevel: easy rigidtrans: