Browse entries in the PDBbind-CN Database
HEADER 6DH1_COMPLEX COMPND 6DH1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET K A 13 78 ATOM 1 N PRO A 1 131.380 65.476 -3.060 1.00 31.92 N ATOM 2 CA PRO A 1 130.434 64.668 -3.837 1.00 32.17 C ATOM 3 C PRO A 1 129.016 64.707 -3.288 1.00 27.33 C ATOM 4 O PRO A 1 128.799 65.183 -2.175 1.00 25.99 O ATOM 5 CB PRO A 1 131.010 63.256 -3.722 1.00 36.43 C ATOM 6 CG PRO A 1 131.744 63.260 -2.438 1.00 34.91 C ATOM 7 CD PRO A 1 132.327 64.636 -2.308 1.00 31.43 C ATOM 8 HN2 PRO A 1 130.848 66.067 -2.390 1.00 0.00 H ATOM 9 HN1 PRO A 1 131.914 66.087 -3.710 1.00 0.00 H ATOM 10 N GLN A 2 128.065 64.213 -4.074 1.00 28.11 N ATOM 11 CA GLN A 2 126.698 64.005 -3.621 1.00 21.75 C ATOM 12 C GLN A 2 126.518 62.524 -3.320 1.00 31.63 C ATOM 13 O GLN A 2 126.892 61.672 -4.131 1.00 31.70 O ATOM 14 CB GLN A 2 125.693 64.470 -4.676 1.00 29.78 C ATOM 15 CG GLN A 2 124.239 64.334 -4.259 1.00 28.16 C ATOM 16 CD GLN A 2 123.299 65.020 -5.229 1.00 33.32 C ATOM 17 OE1 GLN A 2 122.925 64.455 -6.256 1.00 36.44 O ATOM 18 NE2 GLN A 2 122.918 66.251 -4.911 1.00 23.74 N ATOM 19 HE22 GLN A 2 123.259 66.690 -4.032 1.00 0.00 H ATOM 20 HE21 GLN A 2 122.279 66.776 -5.541 1.00 0.00 H ATOM 21 H GLN A 2 128.308 63.965 -5.054 1.00 0.00 H ATOM 22 N ILE A 3 125.963 62.221 -2.151 1.00 27.34 N ATOM 23 CA ILE A 3 125.820 60.848 -1.680 1.00 21.98 C ATOM 24 C ILE A 3 124.343 60.586 -1.436 1.00 20.90 C ATOM 25 O ILE A 3 123.725 61.231 -0.580 1.00 20.12 O ATOM 26 CB ILE A 3 126.639 60.594 -0.404 1.00 20.81 C ATOM 27 CG1 ILE A 3 128.119 60.881 -0.666 1.00 24.99 C ATOM 28 CG2 ILE A 3 126.447 59.156 0.082 1.00 22.48 C ATOM 29 CD1 ILE A 3 128.984 60.887 0.578 1.00 28.90 C ATOM 30 H ILE A 3 125.617 62.994 -1.548 1.00 0.00 H ATOM 31 N THR A 4 123.778 59.650 -2.192 1.00 20.23 N ATOM 32 CA THR A 4 122.427 59.193 -1.927 1.00 19.14 C ATOM 33 C THR A 4 122.443 58.195 -0.773 1.00 21.02 C ATOM 34 O THR A 4 123.498 57.727 -0.335 1.00 24.06 O ATOM 35 CB THR A 4 121.810 58.570 -3.180 1.00 23.80 C ATOM 36 OG1 THR A 4 122.678 57.552 -3.693 1.00 28.39 O ATOM 37 CG2 THR A 4 121.584 59.633 -4.248 1.00 24.61 C ATOM 38 HG1 THR A 4 122.273 57.153 -4.504 1.00 0.00 H ATOM 39 H THR A 4 124.312 59.240 -2.985 1.00 0.00 H ATOM 40 N LEU A 5 121.251 57.866 -0.274 1.00 25.04 N ATOM 41 CA LEU A 5 121.120 57.147 0.988 1.00 21.44 C ATOM 42 C LEU A 5 120.422 55.801 0.831 1.00 25.90 C ATOM 43 O LEU A 5 119.919 55.251 1.815 1.00 21.23 O ATOM 44 CB LEU A 5 120.379 58.020 2.002 1.00 17.51 C ATOM 45 CG LEU A 5 121.082 59.357 2.268 1.00 18.36 C ATOM 46 CD1 LEU A 5 120.206 60.294 3.082 1.00 16.74 C ATOM 47 CD2 LEU A 5 122.415 59.135 2.968 1.00 20.60 C ATOM 48 H LEU A 5 120.392 58.129 -0.798 1.00 0.00 H ATOM 49 N TRP A 6 120.394 55.249 -0.383 1.00 27.61 N ATOM 50 CA TRP A 6 119.807 53.927 -0.567 1.00 25.43 C ATOM 51 C TRP A 6 120.612 52.859 0.166 1.00 22.03 C ATOM 52 O TRP A 6 120.065 51.814 0.537 1.00 24.00 O ATOM 53 CB TRP A 6 119.701 53.605 -2.058 1.00 32.82 C ATOM 54 CG TRP A 6 118.928 54.636 -2.816 1.00 29.25 C ATOM 55 CD1 TRP A 6 119.443 55.641 -3.573 1.00 31.44 C ATOM 56 CD2 TRP A 6 117.509 54.772 -2.877 1.00 23.01 C ATOM 57 NE1 TRP A 6 118.429 56.402 -4.110 1.00 32.18 N ATOM 58 CE2 TRP A 6 117.233 55.881 -3.693 1.00 27.08 C ATOM 59 CE3 TRP A 6 116.439 54.061 -2.321 1.00 29.00 C ATOM 60 CZ2 TRP A 6 115.945 56.297 -3.969 1.00 26.08 C ATOM 61 CZ3 TRP A 6 115.147 54.477 -2.596 1.00 24.42 C ATOM 62 CH2 TRP A 6 114.905 55.585 -3.415 1.00 32.58 C ATOM 63 HE1 TRP A 6 118.550 57.231 -4.727 1.00 0.00 H ATOM 64 H TRP A 6 120.790 55.761 -1.197 1.00 0.00 H ATOM 65 N LYS A 7 121.907 53.094 0.372 1.00 21.92 N ATOM 66 CA LYS A 7 122.731 52.271 1.244 1.00 23.25 C ATOM 67 C LYS A 7 123.420 53.168 2.264 1.00 15.60 C ATOM 68 O LYS A 7 123.372 54.398 2.173 1.00 19.81 O ATOM 69 CB LYS A 7 123.763 51.462 0.449 1.00 26.52 C ATOM 70 CG LYS A 7 124.665 52.281 -0.464 1.00 38.70 C ATOM 71 CD LYS A 7 125.446 51.367 -1.387 1.00 47.87 C ATOM 72 CE LYS A 7 126.564 52.103 -2.096 1.00 63.33 C ATOM 73 NZ LYS A 7 127.457 51.150 -2.809 1.00 72.66 N ATOM 74 HZ1 LYS A 7 127.873 50.488 -2.124 1.00 0.00 H ATOM 75 HZ2 LYS A 7 126.905 50.620 -3.513 1.00 0.00 H ATOM 76 HZ3 LYS A 7 128.215 51.678 -3.287 1.00 0.00 H ATOM 77 H LYS A 7 122.349 53.902 -0.112 1.00 0.00 H ATOM 78 N ARG A 8 124.058 52.541 3.247 1.00 18.25 N ATOM 79 CA ARG A 8 124.729 53.299 4.293 1.00 18.55 C ATOM 80 C ARG A 8 125.776 54.224 3.675 1.00 22.84 C ATOM 81 O ARG A 8 126.546 53.795 2.808 1.00 17.36 O ATOM 82 CB ARG A 8 125.391 52.359 5.303 1.00 22.24 C ATOM 83 CG ARG A 8 124.414 51.666 6.238 1.00 20.73 C ATOM 84 CD ARG A 8 125.121 51.083 7.451 1.00 27.35 C ATOM 85 NE ARG A 8 124.169 50.558 8.425 1.00 31.02 N ATOM 86 CZ ARG A 8 124.497 50.095 9.627 1.00 32.91 C ATOM 87 NH1 ARG A 8 125.762 50.086 10.023 1.00 33.75 N ATOM 88 NH2 ARG A 8 123.551 49.640 10.437 1.00 35.14 N ATOM 89 HE ARG A 8 123.163 50.545 8.160 1.00 0.00 H ATOM 90 HH12 ARG A 8 126.009 49.722 10.965 1.00 0.00 H ATOM 91 HH11 ARG A 8 126.507 50.443 9.391 1.00 0.00 H ATOM 92 HH22 ARG A 8 123.803 49.277 11.378 1.00 0.00 H ATOM 93 HH21 ARG A 8 122.557 49.646 10.131 1.00 0.00 H ATOM 94 H ARG A 8 124.078 51.501 3.269 1.00 0.00 H ATOM 95 N PRO A 9 125.829 55.500 4.083 1.00 18.41 N ATOM 96 CA PRO A 9 126.888 56.396 3.562 1.00 18.59 C ATOM 97 C PRO A 9 128.250 56.125 4.196 1.00 19.20 C ATOM 98 O PRO A 9 128.749 56.855 5.052 1.00 13.89 O ATOM 99 CB PRO A 9 126.353 57.787 3.911 1.00 15.02 C ATOM 100 CG PRO A 9 125.511 57.574 5.119 1.00 15.02 C ATOM 101 CD PRO A 9 124.881 56.220 4.954 1.00 17.36 C ATOM 102 N LEU A 10 128.876 55.038 3.750 1.00 20.39 N ATOM 103 CA LEU A 10 130.177 54.626 4.257 1.00 21.80 C ATOM 104 C LEU A 10 131.286 55.197 3.387 1.00 22.60 C ATOM 105 O LEU A 10 131.210 55.154 2.156 1.00 23.65 O ATOM 106 CB LEU A 10 130.281 53.100 4.298 1.00 27.90 C ATOM 107 CG LEU A 10 129.370 52.396 5.306 1.00 23.02 C ATOM 108 CD1 LEU A 10 129.323 50.902 5.027 1.00 32.09 C ATOM 109 CD2 LEU A 10 129.840 52.657 6.730 1.00 23.02 C ATOM 110 H LEU A 10 128.420 54.463 3.013 1.00 0.00 H ATOM 111 N VAL A 11 132.322 55.732 4.036 1.00 23.34 N ATOM 112 CA VAL A 11 133.458 56.321 3.342 1.00 21.32 C ATOM 113 C VAL A 11 134.747 55.888 4.026 1.00 21.82 C ATOM 114 O VAL A 11 134.758 55.469 5.186 1.00 21.35 O ATOM 115 CB VAL A 11 133.382 57.864 3.290 1.00 24.51 C ATOM 116 CG1 VAL A 11 132.114 58.306 2.580 1.00 19.59 C ATOM 117 CG2 VAL A 11 133.457 58.464 4.693 1.00 24.87 C ATOM 118 H VAL A 11 132.318 55.728 5.076 1.00 0.00 H ATOM 119 N THR A 12 135.845 56.005 3.286 1.00 24.53 N ATOM 120 CA THR A 12 137.165 55.694 3.810 1.00 20.89 C ATOM 121 C THR A 12 137.741 56.925 4.493 1.00 20.78 C ATOM 122 O THR A 12 137.691 58.030 3.944 1.00 26.87 O ATOM 123 CB THR A 12 138.098 55.224 2.693 1.00 29.62 C ATOM 124 OG1 THR A 12 137.456 54.184 1.944 1.00 24.45 O ATOM 125 CG2 THR A 12 139.408 54.698 3.270 1.00 25.98 C ATOM 126 HG1 THR A 12 138.059 53.879 1.221 1.00 0.00 H ATOM 127 H THR A 12 135.757 56.329 2.302 1.00 0.00 H ATOM 128 N ILE A 13 138.289 56.726 5.688 1.00 20.33 N ATOM 129 CA ILE A 13 138.904 57.792 6.464 1.00 23.21 C ATOM 130 C ILE A 13 140.360 57.419 6.708 1.00 26.41 C ATOM 131 O ILE A 13 140.737 56.246 6.683 1.00 23.62 O ATOM 132 CB ILE A 13 138.174 58.032 7.801 1.00 17.81 C ATOM 133 CG1 ILE A 13 138.242 56.772 8.671 1.00 17.40 C ATOM 134 CG2 ILE A 13 136.726 58.415 7.544 1.00 20.97 C ATOM 135 CD1 ILE A 13 137.812 56.974 10.099 1.00 17.76 C ATOM 136 H ILE A 13 138.277 55.765 6.086 1.00 0.00 H ATOM 137 N LYS A 14 141.179 58.439 6.950 1.00 29.86 N ATOM 138 CA LYS A 14 142.573 58.254 7.340 1.00 22.20 C ATOM 139 C LYS A 14 142.791 58.924 8.689 1.00 25.82 C ATOM 140 O LYS A 14 142.587 60.135 8.825 1.00 30.23 O ATOM 141 CB LYS A 14 143.526 58.828 6.289 1.00 29.63 C ATOM 142 H LYS A 14 140.811 59.407 6.858 1.00 0.00 H ATOM 143 N ILE A 15 143.186 58.135 9.685 1.00 25.72 N ATOM 144 CA ILE A 15 143.456 58.642 11.026 1.00 28.16 C ATOM 145 C ILE A 15 144.646 57.883 11.597 1.00 38.39 C ATOM 146 O ILE A 15 144.734 56.658 11.468 1.00 30.68 O ATOM 147 CB ILE A 15 142.227 58.510 11.951 1.00 29.57 C ATOM 148 CG1 ILE A 15 142.541 59.114 13.322 1.00 30.94 C ATOM 149 CG2 ILE A 15 141.795 57.044 12.076 1.00 35.17 C ATOM 150 CD1 ILE A 15 141.378 59.111 14.298 1.00 31.96 C ATOM 151 H ILE A 15 143.307 57.119 9.501 1.00 0.00 H ATOM 152 N GLY A 16 145.556 58.615 12.236 1.00 35.28 N ATOM 153 CA GLY A 16 146.753 58.019 12.795 1.00 36.78 C ATOM 154 C GLY A 16 147.524 57.207 11.776 1.00 36.33 C ATOM 155 O GLY A 16 148.130 56.187 12.117 1.00 40.84 O ATOM 156 H GLY A 16 145.404 59.639 12.336 1.00 0.00 H ATOM 157 N GLY A 17 147.503 57.650 10.519 1.00 33.51 N ATOM 158 CA GLY A 17 148.198 56.955 9.455 1.00 25.53 C ATOM 159 C GLY A 17 147.535 55.683 8.984 1.00 35.10 C ATOM 160 O GLY A 17 148.135 54.946 8.197 1.00 41.91 O ATOM 161 H GLY A 17 146.974 58.517 10.296 1.00 0.00 H ATOM 162 N GLN A 18 146.313 55.406 9.431 1.00 36.42 N ATOM 163 CA GLN A 18 145.613 54.166 9.127 1.00 35.00 C ATOM 164 C GLN A 18 144.339 54.470 8.353 1.00 36.92 C ATOM 165 O GLN A 18 143.673 55.478 8.612 1.00 35.13 O ATOM 166 CB GLN A 18 145.270 53.416 10.419 1.00 41.58 C ATOM 167 CG GLN A 18 144.869 51.966 10.239 1.00 41.32 C ATOM 168 CD GLN A 18 144.679 51.267 11.571 1.00 43.98 C ATOM 169 OE1 GLN A 18 144.012 51.786 12.465 1.00 39.38 O ATOM 170 NE2 GLN A 18 145.281 50.095 11.719 1.00 48.79 N ATOM 171 HE22 GLN A 18 145.835 49.693 10.936 1.00 0.00 H ATOM 172 HE21 GLN A 18 145.199 49.578 12.618 1.00 0.00 H ATOM 173 H GLN A 18 145.834 56.110 10.027 1.00 0.00 H ATOM 174 N LEU A 19 144.003 53.600 7.404 1.00 22.46 N ATOM 175 CA LEU A 19 142.747 53.712 6.678 1.00 26.43 C ATOM 176 C LEU A 19 141.660 52.896 7.367 1.00 31.41 C ATOM 177 O LEU A 19 141.924 51.849 7.962 1.00 33.44 O ATOM 178 CB LEU A 19 142.901 53.238 5.231 1.00 33.06 C ATOM 179 CG LEU A 19 143.883 53.998 4.336 1.00 34.59 C ATOM 180 CD1 LEU A 19 143.773 53.482 2.908 1.00 35.69 C ATOM 181 CD2 LEU A 19 143.649 55.504 4.379 1.00 33.65 C ATOM 182 H LEU A 19 144.654 52.821 7.176 1.00 0.00 H ATOM 183 N LYS A 20 140.428 53.390 7.273 1.00 28.61 N ATOM 184 CA LYS A 20 139.279 52.712 7.858 1.00 23.96 C ATOM 185 C LYS A 20 138.023 53.147 7.124 1.00 24.28 C ATOM 186 O LYS A 20 138.015 54.151 6.406 1.00 25.17 O ATOM 187 CB LYS A 20 139.126 53.020 9.349 1.00 23.95 C ATOM 188 CG LYS A 20 140.200 52.456 10.243 1.00 28.05 C ATOM 189 CD LYS A 20 139.893 52.798 11.682 1.00 34.29 C ATOM 190 CE LYS A 20 141.068 52.500 12.572 1.00 34.97 C ATOM 191 NZ LYS A 20 140.749 51.479 13.601 1.00 40.42 N ATOM 192 HZ1 LYS A 20 139.970 51.822 14.198 1.00 0.00 H ATOM 193 HZ2 LYS A 20 140.465 50.594 13.134 1.00 0.00 H ATOM 194 HZ3 LYS A 20 141.589 51.307 14.190 1.00 0.00 H ATOM 195 H LYS A 20 140.281 54.287 6.767 1.00 0.00 H ATOM 196 N GLU A 21 136.956 52.383 7.329 1.00 19.79 N ATOM 197 CA GLU A 21 135.634 52.728 6.833 1.00 23.15 C ATOM 198 C GLU A 21 134.811 53.309 7.975 1.00 20.87 C ATOM 199 O GLU A 21 134.918 52.858 9.119 1.00 17.64 O ATOM 200 CB GLU A 21 134.936 51.498 6.250 1.00 25.58 C ATOM 201 CG GLU A 21 133.658 51.804 5.492 1.00 29.79 C ATOM 202 CD GLU A 21 133.145 50.607 4.715 1.00 40.77 C ATOM 203 OE1 GLU A 21 133.329 50.574 3.480 1.00 38.72 O ATOM 204 OE2 GLU A 21 132.567 49.695 5.341 1.00 44.61 O ATOM 205 H GLU A 21 137.071 51.501 7.867 1.00 0.00 H ATOM 206 N ALA A 22 133.994 54.313 7.660 1.00 20.15 N ATOM 207 CA ALA A 22 133.218 55.006 8.676 1.00 17.71 C ATOM 208 C ALA A 22 131.907 55.495 8.080 1.00 22.60 C ATOM 209 O ALA A 22 131.797 55.712 6.870 1.00 18.74 O ATOM 210 CB ALA A 22 133.998 56.182 9.272 1.00 17.11 C ATOM 211 H ALA A 22 133.909 54.607 6.666 1.00 0.00 H ATOM 212 N LEU A 23 130.920 55.676 8.952 1.00 17.29 N ATOM 213 CA LEU A 23 129.572 56.062 8.562 1.00 16.44 C ATOM 214 C LEU A 23 129.380 57.555 8.785 1.00 15.11 C ATOM 215 O LEU A 23 129.581 58.049 9.901 1.00 13.63 O ATOM 216 CB LEU A 23 128.542 55.276 9.376 1.00 17.70 C ATOM 217 CG LEU A 23 127.055 55.429 9.046 1.00 17.75 C ATOM 218 CD1 LEU A 23 126.722 54.828 7.695 1.00 18.02 C ATOM 219 CD2 LEU A 23 126.223 54.769 10.135 1.00 21.93 C ATOM 220 H LEU A 23 131.121 55.535 9.963 1.00 0.00 H ATOM 221 N LEU A 24 129.000 58.271 7.728 1.00 15.35 N ATOM 222 CA LEU A 24 128.608 59.669 7.864 1.00 14.14 C ATOM 223 C LEU A 24 127.235 59.716 8.522 1.00 16.29 C ATOM 224 O LEU A 24 126.244 59.253 7.946 1.00 15.97 O ATOM 225 CB LEU A 24 128.594 60.371 6.509 1.00 15.77 C ATOM 226 CG LEU A 24 129.891 60.259 5.708 1.00 15.17 C ATOM 227 CD1 LEU A 24 129.725 60.926 4.354 1.00 21.18 C ATOM 228 CD2 LEU A 24 131.067 60.868 6.472 1.00 19.85 C ATOM 229 H LEU A 24 128.983 57.825 6.789 1.00 0.00 H ATOM 230 N ASP A 25 127.182 60.282 9.725 1.00 10.17 N ATOM 231 CA ASP A 25 126.082 60.069 10.662 1.00 12.95 C ATOM 232 C ASP A 25 125.590 61.431 11.145 1.00 10.22 C ATOM 233 O ASP A 25 126.079 61.961 12.146 1.00 12.25 O ATOM 234 CB ASP A 25 126.560 59.183 11.811 1.00 14.67 C ATOM 235 CG ASP A 25 125.449 58.790 12.759 1.00 12.65 C ATOM 236 OD1 ASP A 25 124.327 59.324 12.632 1.00 13.39 O ATOM 237 OD2 ASP A 25 125.712 57.942 13.634 1.00 11.87 O ATOM 238 H ASP A 25 127.962 60.907 10.012 1.00 0.00 H ATOM 239 N THR A 26 124.616 62.002 10.435 1.00 12.37 N ATOM 240 CA THR A 26 124.132 63.326 10.807 1.00 13.37 C ATOM 241 C THR A 26 123.393 63.324 12.140 1.00 11.82 C ATOM 242 O THR A 26 123.176 64.399 12.708 1.00 11.28 O ATOM 243 CB THR A 26 123.227 63.891 9.709 1.00 14.50 C ATOM 244 OG1 THR A 26 122.139 62.992 9.450 1.00 10.70 O ATOM 245 CG2 THR A 26 124.019 64.121 8.425 1.00 17.18 C ATOM 246 HG1 THR A 26 121.608 62.871 10.277 1.00 0.00 H ATOM 247 H THR A 26 124.204 61.505 9.620 1.00 0.00 H ATOM 248 N GLY A 27 123.017 62.157 12.654 1.00 12.61 N ATOM 249 CA GLY A 27 122.401 62.044 13.958 1.00 12.60 C ATOM 250 C GLY A 27 123.368 61.922 15.113 1.00 14.16 C ATOM 251 O GLY A 27 122.939 61.795 16.264 1.00 14.03 O ATOM 252 H GLY A 27 123.172 61.292 12.097 1.00 0.00 H ATOM 253 N ALA A 28 124.670 61.941 14.844 1.00 10.43 N ATOM 254 CA ALA A 28 125.691 61.919 15.880 1.00 12.49 C ATOM 255 C ALA A 28 126.245 63.328 16.059 1.00 15.61 C ATOM 256 O ALA A 28 126.708 63.943 15.092 1.00 11.17 O ATOM 257 CB ALA A 28 126.810 60.946 15.509 1.00 12.75 C ATOM 258 H ALA A 28 124.972 61.973 13.849 1.00 0.00 H ATOM 259 N ASP A 29 126.186 63.845 17.291 1.00 16.51 N ATOM 260 CA ASP A 29 126.882 65.094 17.586 1.00 14.22 C ATOM 261 C ASP A 29 128.387 64.915 17.461 1.00 17.39 C ATOM 262 O ASP A 29 129.095 65.822 17.007 1.00 13.36 O ATOM 263 CB ASP A 29 126.553 65.584 18.997 1.00 12.73 C ATOM 264 CG ASP A 29 125.070 65.736 19.238 1.00 19.04 C ATOM 265 OD1 ASP A 29 124.313 65.913 18.262 1.00 20.49 O ATOM 266 OD2 ASP A 29 124.665 65.689 20.417 1.00 21.08 O ATOM 267 H ASP A 29 125.647 63.359 18.036 1.00 0.00 H ATOM 268 N ASP A 30 128.884 63.748 17.855 1.00 14.92 N ATOM 269 CA ASP A 30 130.303 63.503 18.026 1.00 13.92 C ATOM 270 C ASP A 30 130.743 62.336 17.155 1.00 16.39 C ATOM 271 O ASP A 30 129.927 61.546 16.671 1.00 16.21 O ATOM 272 CB ASP A 30 130.623 63.207 19.496 1.00 20.65 C ATOM 273 CG ASP A 30 130.103 64.279 20.432 1.00 23.13 C ATOM 274 OD1 ASP A 30 130.463 65.459 20.244 1.00 29.87 O ATOM 275 OD2 ASP A 30 129.320 63.944 21.346 1.00 29.84 O ATOM 276 H ASP A 30 128.222 62.970 18.051 1.00 0.00 H ATOM 277 N THR A 31 132.053 62.241 16.963 1.00 14.74 N ATOM 278 CA THR A 31 132.664 61.184 16.170 1.00 15.77 C ATOM 279 C THR A 31 133.191 60.105 17.108 1.00 21.04 C ATOM 280 O THR A 31 133.965 60.396 18.026 1.00 20.49 O ATOM 281 CB THR A 31 133.787 61.757 15.299 1.00 19.32 C ATOM 282 OG1 THR A 31 133.226 62.641 14.321 1.00 17.53 O ATOM 283 CG2 THR A 31 134.568 60.658 14.587 1.00 19.13 C ATOM 284 HG1 THR A 31 132.752 63.380 14.779 1.00 0.00 H ATOM 285 H THR A 31 132.671 62.954 17.399 1.00 0.00 H ATOM 286 N VAL A 32 132.759 58.867 16.883 1.00 19.60 N ATOM 287 CA VAL A 32 133.086 57.744 17.756 1.00 15.80 C ATOM 288 C VAL A 32 133.629 56.621 16.886 1.00 14.18 C ATOM 289 O VAL A 32 132.946 56.168 15.961 1.00 16.61 O ATOM 290 CB VAL A 32 131.866 57.257 18.557 1.00 15.67 C ATOM 291 CG1 VAL A 32 132.301 56.303 19.662 1.00 15.25 C ATOM 292 CG2 VAL A 32 131.090 58.436 19.131 1.00 22.29 C ATOM 293 H VAL A 32 132.163 58.692 16.049 1.00 0.00 H ATOM 294 N LEU A 33 134.846 56.172 17.182 1.00 13.24 N ATOM 295 CA LEU A 33 135.495 55.114 16.426 1.00 15.19 C ATOM 296 C LEU A 33 135.692 53.877 17.291 1.00 17.71 C ATOM 297 O LEU A 33 135.801 53.959 18.518 1.00 16.11 O ATOM 298 CB LEU A 33 136.851 55.571 15.887 1.00 16.82 C ATOM 299 CG LEU A 33 136.837 56.837 15.036 1.00 21.16 C ATOM 300 CD1 LEU A 33 138.247 57.153 14.578 1.00 30.97 C ATOM 301 CD2 LEU A 33 135.899 56.691 13.845 1.00 17.50 C ATOM 302 H LEU A 33 135.353 56.595 17.986 1.00 0.00 H ATOM 303 N GLU A 34 135.742 52.726 16.629 1.00 20.65 N ATOM 304 CA GLU A 34 135.988 51.475 17.321 1.00 20.91 C ATOM 305 C GLU A 34 137.371 51.496 17.964 1.00 23.49 C ATOM 306 O GLU A 34 138.202 52.368 17.702 1.00 21.20 O ATOM 307 CB GLU A 34 135.857 50.302 16.353 1.00 21.62 C ATOM 308 CG GLU A 34 134.464 50.160 15.766 1.00 21.21 C ATOM 309 CD GLU A 34 134.313 48.930 14.895 1.00 33.92 C ATOM 310 OE1 GLU A 34 133.744 47.924 15.374 1.00 39.36 O ATOM 311 OE2 GLU A 34 134.771 48.965 13.735 1.00 36.77 O ATOM 312 H GLU A 34 135.603 52.722 15.598 1.00 0.00 H ATOM 313 N GLU A 35 137.599 50.547 18.860 1.00 21.69 N ATOM 314 CA GLU A 35 138.861 50.455 19.577 1.00 24.41 C ATOM 315 C GLU A 35 140.039 50.508 18.619 1.00 21.61 C ATOM 316 O GLU A 35 140.033 49.867 17.595 1.00 22.82 O ATOM 317 CB GLU A 35 138.917 49.179 20.404 1.00 33.57 C ATOM 318 CG GLU A 35 139.753 49.299 21.660 1.00 39.71 C ATOM 319 CD GLU A 35 139.224 50.350 22.614 1.00 52.63 C ATOM 320 OE1 GLU A 35 138.014 50.340 22.924 1.00 38.55 O ATOM 321 OE2 GLU A 35 140.034 51.187 23.046 1.00 55.52 O ATOM 322 H GLU A 35 136.854 49.848 19.056 1.00 0.00 H ATOM 323 N MET A 36 141.036 51.308 18.969 1.00 31.53 N ATOM 324 CA MET A 36 142.225 51.469 18.147 1.00 38.40 C ATOM 325 C MET A 36 143.295 52.170 18.968 1.00 39.77 C ATOM 326 O MET A 36 143.013 52.798 19.993 1.00 34.14 O ATOM 327 CB MET A 36 141.930 52.265 16.871 1.00 36.48 C ATOM 328 CG MET A 36 141.622 53.741 17.118 1.00 35.10 C ATOM 329 SD MET A 36 141.397 54.696 15.603 1.00 38.72 S ATOM 330 CE MET A 36 142.936 54.367 14.744 1.00 44.87 C ATOM 331 H MET A 36 140.966 51.838 19.861 1.00 0.00 H ATOM 332 N ASN A 37 144.526 52.058 18.490 1.00 44.12 N ATOM 333 CA ASN A 37 145.659 52.753 19.081 1.00 49.09 C ATOM 334 C ASN A 37 145.800 54.114 18.404 1.00 48.55 C ATOM 335 O ASN A 37 145.983 54.189 17.184 1.00 39.84 O ATOM 336 CB ASN A 37 146.931 51.915 18.928 1.00 55.08 C ATOM 337 CG ASN A 37 146.904 50.653 19.772 1.00 56.36 C ATOM 338 OD1 ASN A 37 147.066 49.541 19.268 1.00 58.24 O ATOM 339 ND2 ASN A 37 146.700 50.825 21.066 1.00 52.66 N ATOM 340 HD22 ASN A 37 146.568 51.783 21.449 1.00 0.00 H ATOM 341 HD21 ASN A 37 146.671 50.002 21.702 1.00 0.00 H ATOM 342 H ASN A 37 144.688 51.451 17.662 1.00 0.00 H ATOM 343 N LEU A 38 145.704 55.186 19.194 1.00 44.49 N ATOM 344 CA LEU A 38 145.908 56.542 18.704 1.00 46.90 C ATOM 345 C LEU A 38 147.025 57.217 19.486 1.00 43.02 C ATOM 346 O LEU A 38 147.021 57.168 20.726 1.00 41.00 O ATOM 347 CB LEU A 38 144.624 57.392 18.821 1.00 43.13 C ATOM 348 CG LEU A 38 143.768 57.623 17.573 1.00 42.73 C ATOM 349 CD1 LEU A 38 142.720 58.684 17.873 1.00 40.41 C ATOM 350 CD2 LEU A 38 144.592 58.034 16.354 1.00 37.73 C ATOM 351 H LEU A 38 145.474 55.047 20.199 1.00 0.00 H ATOM 352 N PRO A 39 147.990 57.856 18.824 1.00 52.03 N ATOM 353 CA PRO A 39 149.002 58.616 19.561 1.00 52.09 C ATOM 354 C PRO A 39 148.460 59.959 20.022 1.00 55.54 C ATOM 355 O PRO A 39 147.799 60.682 19.270 1.00 49.31 O ATOM 356 CB PRO A 39 150.132 58.790 18.541 1.00 51.08 C ATOM 357 CG PRO A 39 149.457 58.740 17.219 1.00 49.39 C ATOM 358 CD PRO A 39 148.240 57.867 17.370 1.00 49.45 C ATOM 359 N GLY A 40 148.747 60.285 21.278 1.00 62.46 N ATOM 360 CA GLY A 40 148.266 61.511 21.879 1.00 61.66 C ATOM 361 C GLY A 40 147.735 61.263 23.273 1.00 58.29 C ATOM 362 O GLY A 40 147.484 60.114 23.650 1.00 65.16 O ATOM 363 H GLY A 40 149.334 59.641 21.845 1.00 0.00 H ATOM 364 N ARG A 41 147.571 62.323 24.056 1.00 51.83 N ATOM 365 CA ARG A 41 146.918 62.189 25.345 1.00 51.38 C ATOM 366 C ARG A 41 145.412 62.049 25.149 1.00 50.47 C ATOM 367 O ARG A 41 144.847 62.493 24.145 1.00 49.25 O ATOM 368 CB ARG A 41 147.228 63.393 26.235 1.00 52.70 C ATOM 369 H ARG A 41 147.912 63.254 23.744 1.00 0.00 H ATOM 370 N TRP A 42 144.760 61.410 26.117 1.00 52.07 N ATOM 371 CA TRP A 42 143.315 61.246 26.068 1.00 42.99 C ATOM 372 C TRP A 42 142.736 61.427 27.461 1.00 45.94 C ATOM 373 O TRP A 42 143.452 61.433 28.466 1.00 47.90 O ATOM 374 CB TRP A 42 142.913 59.880 25.492 1.00 44.49 C ATOM 375 CG TRP A 42 143.538 58.690 26.165 1.00 45.58 C ATOM 376 CD1 TRP A 42 144.686 58.052 25.797 1.00 40.58 C ATOM 377 CD2 TRP A 42 143.035 57.983 27.307 1.00 44.02 C ATOM 378 NE1 TRP A 42 144.933 56.997 26.640 1.00 38.31 N ATOM 379 CE2 TRP A 42 143.936 56.933 27.577 1.00 46.34 C ATOM 380 CE3 TRP A 42 141.914 58.138 28.128 1.00 46.30 C ATOM 381 CZ2 TRP A 42 143.751 56.043 28.633 1.00 46.26 C ATOM 382 CZ3 TRP A 42 141.732 57.254 29.177 1.00 45.39 C ATOM 383 CH2 TRP A 42 142.646 56.220 29.420 1.00 41.65 C ATOM 384 HE1 TRP A 42 145.746 56.351 26.577 1.00 0.00 H ATOM 385 H TRP A 42 145.292 61.021 26.922 1.00 0.00 H ATOM 386 N LYS A 43 141.415 61.584 27.505 1.00 37.13 N ATOM 387 CA LYS A 43 140.683 61.752 28.746 1.00 34.30 C ATOM 388 C LYS A 43 139.499 60.806 28.754 1.00 33.67 C ATOM 389 O LYS A 43 138.888 60.570 27.703 1.00 30.53 O ATOM 390 CB LYS A 43 140.201 63.201 28.905 1.00 28.78 C ATOM 391 H LYS A 43 140.884 61.586 26.611 1.00 0.00 H ATOM 392 N PRO A 44 139.135 60.234 29.906 1.00 39.23 N ATOM 393 CA PRO A 44 137.963 59.354 29.948 1.00 38.52 C ATOM 394 C PRO A 44 136.678 60.170 29.930 1.00 38.03 C ATOM 395 O PRO A 44 136.534 61.134 30.685 1.00 37.51 O ATOM 396 CB PRO A 44 138.121 58.594 31.273 1.00 38.34 C ATOM 397 CG PRO A 44 139.449 59.017 31.844 1.00 36.49 C ATOM 398 CD PRO A 44 139.780 60.330 31.227 1.00 37.73 C ATOM 399 N LYS A 45 135.746 59.776 29.066 1.00 31.37 N ATOM 400 CA LYS A 45 134.448 60.427 28.993 1.00 28.82 C ATOM 401 C LYS A 45 133.370 59.372 28.809 1.00 28.55 C ATOM 402 O LYS A 45 133.651 58.194 28.571 1.00 28.64 O ATOM 403 CB LYS A 45 134.394 61.452 27.852 1.00 30.33 C ATOM 404 H LYS A 45 135.951 58.982 28.426 1.00 0.00 H ATOM 405 N MET A 46 132.123 59.808 28.940 1.00 20.79 N ATOM 406 CA MET A 46 130.964 58.974 28.674 1.00 26.76 C ATOM 407 C MET A 46 130.167 59.586 27.533 1.00 34.07 C ATOM 408 O MET A 46 130.056 60.812 27.431 1.00 31.33 O ATOM 409 CB MET A 46 130.080 58.848 29.913 1.00 26.51 C ATOM 410 CG MET A 46 130.832 58.464 31.176 1.00 32.97 C ATOM 411 SD MET A 46 131.304 56.732 31.169 1.00 38.87 S ATOM 412 CE MET A 46 129.705 55.987 31.451 1.00 35.22 C ATOM 413 H MET A 46 131.969 60.790 29.247 1.00 0.00 H ATOM 414 N ILE A 47 129.618 58.731 26.676 1.00 29.74 N ATOM 415 CA ILE A 47 128.741 59.166 25.596 1.00 32.62 C ATOM 416 C ILE A 47 127.574 58.195 25.519 1.00 25.59 C ATOM 417 O ILE A 47 127.753 56.981 25.663 1.00 25.09 O ATOM 418 CB ILE A 47 129.492 59.256 24.250 1.00 27.70 C ATOM 419 CG1 ILE A 47 128.641 59.991 23.212 1.00 34.55 C ATOM 420 CG2 ILE A 47 129.873 57.872 23.750 1.00 24.97 C ATOM 421 CD1 ILE A 47 129.455 60.610 22.096 1.00 39.32 C ATOM 422 H ILE A 47 129.821 57.716 26.780 1.00 0.00 H ATOM 423 N GLY A 48 126.380 58.731 25.300 1.00 23.57 N ATOM 424 CA GLY A 48 125.157 57.943 25.286 1.00 29.47 C ATOM 425 C GLY A 48 124.555 57.875 23.893 1.00 26.81 C ATOM 426 O GLY A 48 124.505 58.880 23.178 1.00 32.81 O ATOM 427 H GLY A 48 126.316 59.755 25.132 1.00 0.00 H ATOM 428 N GLY A 49 124.109 56.679 23.519 1.00 21.03 N ATOM 429 CA GLY A 49 123.420 56.467 22.263 1.00 19.23 C ATOM 430 C GLY A 49 122.002 55.973 22.469 1.00 27.48 C ATOM 431 O GLY A 49 121.396 56.234 23.512 1.00 19.39 O ATOM 432 H GLY A 49 124.260 55.867 24.151 1.00 0.00 H ATOM 433 N ILE A 50 121.463 55.249 21.484 1.00 19.52 N ATOM 434 CA ILE A 50 120.084 54.782 21.578 1.00 19.57 C ATOM 435 C ILE A 50 119.927 53.774 22.707 1.00 21.69 C ATOM 436 O ILE A 50 118.840 53.638 23.281 1.00 21.30 O ATOM 437 CB ILE A 50 119.626 54.189 20.229 1.00 21.10 C ATOM 438 CG1 ILE A 50 118.097 54.158 20.158 1.00 27.05 C ATOM 439 CG2 ILE A 50 120.203 52.781 20.021 1.00 20.33 C ATOM 440 CD1 ILE A 50 117.552 53.884 18.773 1.00 27.83 C ATOM 441 H ILE A 50 122.031 55.017 20.644 1.00 0.00 H ATOM 442 N GLY A 51 120.998 53.060 23.049 1.00 20.45 N ATOM 443 CA GLY A 51 120.900 51.949 23.976 1.00 20.97 C ATOM 444 C GLY A 51 121.453 52.215 25.361 1.00 24.01 C ATOM 445 O GLY A 51 121.417 51.331 26.222 1.00 27.79 O ATOM 446 H GLY A 51 121.924 53.304 22.643 1.00 0.00 H ATOM 447 N GLY A 52 121.960 53.423 25.597 1.00 21.09 N ATOM 448 CA GLY A 52 122.549 53.768 26.870 1.00 27.98 C ATOM 449 C GLY A 52 123.885 54.445 26.676 1.00 22.41 C ATOM 450 O GLY A 52 124.162 55.027 25.622 1.00 20.35 O ATOM 451 H GLY A 52 121.931 54.139 24.843 1.00 0.00 H ATOM 452 N PHE A 53 124.726 54.353 27.703 1.00 22.18 N ATOM 453 CA PHE A 53 125.987 55.076 27.757 1.00 23.51 C ATOM 454 C PHE A 53 127.161 54.109 27.752 1.00 22.87 C ATOM 455 O PHE A 53 127.085 53.012 28.311 1.00 23.30 O ATOM 456 CB PHE A 53 126.048 55.963 29.006 1.00 22.84 C ATOM 457 CG PHE A 53 125.104 57.129 28.961 1.00 26.76 C ATOM 458 CD1 PHE A 53 123.735 56.932 29.032 1.00 24.84 C ATOM 459 CD2 PHE A 53 125.585 58.422 28.846 1.00 32.95 C ATOM 460 CE1 PHE A 53 122.863 58.003 28.986 1.00 30.23 C ATOM 461 CE2 PHE A 53 124.715 59.497 28.802 1.00 26.49 C ATOM 462 CZ PHE A 53 123.353 59.286 28.873 1.00 31.12 C ATOM 463 H PHE A 53 124.471 53.738 28.502 1.00 0.00 H ATOM 464 N ILE A 54 128.251 54.530 27.109 1.00 22.88 N ATOM 465 CA ILE A 54 129.474 53.745 27.040 1.00 23.67 C ATOM 466 C ILE A 54 130.640 54.601 27.513 1.00 23.26 C ATOM 467 O ILE A 54 130.570 55.831 27.545 1.00 23.41 O ATOM 468 CB ILE A 54 129.754 53.205 25.618 1.00 22.94 C ATOM 469 CG1 ILE A 54 129.899 54.353 24.611 1.00 18.77 C ATOM 470 CG2 ILE A 54 128.649 52.252 25.197 1.00 20.27 C ATOM 471 CD1 ILE A 54 130.352 53.905 23.230 1.00 22.35 C ATOM 472 H ILE A 54 128.226 55.457 26.638 1.00 0.00 H ATOM 473 N LYS A 55 131.724 53.924 27.877 1.00 25.99 N ATOM 474 CA LYS A 55 132.973 54.585 28.221 1.00 27.84 C ATOM 475 C LYS A 55 133.827 54.722 26.970 1.00 22.71 C ATOM 476 O LYS A 55 133.960 53.769 26.195 1.00 26.53 O ATOM 477 CB LYS A 55 133.738 53.797 29.284 1.00 26.34 C ATOM 478 CG LYS A 55 133.151 53.863 30.682 1.00 40.23 C ATOM 479 CD LYS A 55 133.920 52.956 31.637 1.00 48.02 C ATOM 480 CE LYS A 55 135.368 53.408 31.812 1.00 49.39 C ATOM 481 NZ LYS A 55 136.173 52.428 32.586 1.00 60.32 N ATOM 482 HZ1 LYS A 55 135.755 52.307 33.531 1.00 0.00 H ATOM 483 HZ2 LYS A 55 136.177 51.515 32.088 1.00 0.00 H ATOM 484 HZ3 LYS A 55 137.148 52.778 32.679 1.00 0.00 H ATOM 485 H LYS A 55 131.678 52.886 27.917 1.00 0.00 H ATOM 486 N VAL A 56 134.409 55.905 26.777 1.00 21.31 N ATOM 487 CA VAL A 56 135.244 56.181 25.618 1.00 22.02 C ATOM 488 C VAL A 56 136.464 56.972 26.062 1.00 26.02 C ATOM 489 O VAL A 56 136.501 57.552 27.149 1.00 24.14 O ATOM 490 CB VAL A 56 134.485 56.956 24.518 1.00 27.85 C ATOM 491 CG1 VAL A 56 133.315 56.137 24.013 1.00 20.85 C ATOM 492 CG2 VAL A 56 134.008 58.305 25.043 1.00 22.60 C ATOM 493 H VAL A 56 134.261 56.657 27.480 1.00 0.00 H ATOM 494 N ARG A 57 137.447 57.025 25.176 1.00 23.88 N ATOM 495 CA ARG A 57 138.660 57.796 25.371 1.00 28.98 C ATOM 496 C ARG A 57 138.552 58.992 24.422 1.00 26.82 C ATOM 497 O ARG A 57 138.402 58.819 23.229 1.00 25.10 O ATOM 498 CB ARG A 57 139.899 56.950 25.065 1.00 33.40 C ATOM 499 CG ARG A 57 139.842 55.566 25.700 1.00 43.44 C ATOM 500 CD ARG A 57 141.203 54.927 25.909 1.00 48.30 C ATOM 501 NE ARG A 57 142.050 55.033 24.737 1.00 49.49 N ATOM 502 CZ ARG A 57 141.999 54.217 23.696 1.00 57.36 C ATOM 503 NH1 ARG A 57 141.136 53.217 23.668 1.00 57.44 N ATOM 504 NH2 ARG A 57 142.819 54.405 22.671 1.00 57.64 N ATOM 505 HE ARG A 57 142.747 55.805 24.713 1.00 0.00 H ATOM 506 HH12 ARG A 57 141.103 52.581 22.846 1.00 0.00 H ATOM 507 HH11 ARG A 57 140.489 53.066 24.468 1.00 0.00 H ATOM 508 HH22 ARG A 57 142.782 53.766 21.851 1.00 0.00 H ATOM 509 HH21 ARG A 57 143.499 55.191 22.687 1.00 0.00 H ATOM 510 H ARG A 57 137.344 56.485 24.293 1.00 0.00 H ATOM 511 N GLN A 58 138.608 60.199 24.961 1.00 24.14 N ATOM 512 CA GLN A 58 138.488 61.411 24.161 1.00 21.97 C ATOM 513 C GLN A 58 139.871 61.872 23.721 1.00 29.35 C ATOM 514 O GLN A 58 140.725 62.178 24.560 1.00 30.89 O ATOM 515 CB GLN A 58 137.784 62.512 24.951 1.00 23.67 C ATOM 516 CG GLN A 58 137.768 63.855 24.238 1.00 26.41 C ATOM 517 CD GLN A 58 136.843 64.860 24.894 1.00 23.49 C ATOM 518 OE1 GLN A 58 135.919 64.490 25.617 1.00 33.57 O ATOM 519 NE2 GLN A 58 137.091 66.142 24.644 1.00 30.65 N ATOM 520 HE22 GLN A 58 137.884 66.407 24.026 1.00 0.00 H ATOM 521 HE21 GLN A 58 136.492 66.880 25.067 1.00 0.00 H ATOM 522 H GLN A 58 138.742 60.286 25.989 1.00 0.00 H ATOM 523 N TYR A 59 140.088 61.914 22.409 1.00 25.95 N ATOM 524 CA TYR A 59 141.286 62.494 21.817 1.00 28.33 C ATOM 525 C TYR A 59 140.906 63.825 21.185 1.00 29.25 C ATOM 526 O TYR A 59 139.996 63.882 20.351 1.00 28.88 O ATOM 527 CB TYR A 59 141.895 61.563 20.770 1.00 27.44 C ATOM 528 CG TYR A 59 142.393 60.251 21.322 1.00 33.61 C ATOM 529 CD1 TYR A 59 141.512 59.219 21.611 1.00 35.80 C ATOM 530 CD2 TYR A 59 143.747 60.041 21.546 1.00 42.36 C ATOM 531 CE1 TYR A 59 141.963 58.017 22.114 1.00 35.53 C ATOM 532 CE2 TYR A 59 144.209 58.842 22.048 1.00 43.25 C ATOM 533 CZ TYR A 59 143.313 57.833 22.329 1.00 46.70 C ATOM 534 OH TYR A 59 143.770 56.637 22.829 1.00 40.04 O ATOM 535 HH TYR A 59 143.004 56.027 22.974 1.00 0.00 H ATOM 536 H TYR A 59 139.367 61.513 21.775 1.00 0.00 H ATOM 537 N ASP A 60 141.595 64.886 21.579 1.00 29.13 N ATOM 538 CA ASP A 60 141.334 66.215 21.051 1.00 28.16 C ATOM 539 C ASP A 60 142.334 66.568 19.956 1.00 31.46 C ATOM 540 O ASP A 60 143.453 66.052 19.908 1.00 26.79 O ATOM 541 CB ASP A 60 141.393 67.256 22.170 1.00 26.66 C ATOM 542 CG ASP A 60 140.224 67.148 23.126 1.00 32.24 C ATOM 543 OD1 ASP A 60 139.100 66.854 22.664 1.00 30.02 O ATOM 544 OD2 ASP A 60 140.428 67.355 24.340 1.00 40.00 O ATOM 545 H ASP A 60 142.346 64.764 22.288 1.00 0.00 H ATOM 546 N GLN A 61 141.938 67.510 19.106 1.00 30.20 N ATOM 547 CA GLN A 61 142.789 68.003 18.026 1.00 22.62 C ATOM 548 C GLN A 61 143.475 66.902 17.225 1.00 36.16 C ATOM 549 O GLN A 61 144.677 66.967 16.967 1.00 27.40 O ATOM 550 CB GLN A 61 143.848 68.954 18.590 1.00 35.24 C ATOM 551 CG GLN A 61 143.712 70.388 18.105 1.00 34.98 C ATOM 552 CD GLN A 61 144.597 71.350 18.872 1.00 28.69 C ATOM 553 OE1 GLN A 61 144.284 71.736 19.999 1.00 35.85 O ATOM 554 NE2 GLN A 61 145.710 71.743 18.265 1.00 34.49 N ATOM 555 HE22 GLN A 61 145.935 71.391 17.312 1.00 0.00 H ATOM 556 HE21 GLN A 61 146.357 72.403 18.742 1.00 0.00 H ATOM 557 H GLN A 61 140.985 67.912 19.214 1.00 0.00 H ATOM 558 N ILE A 62 142.707 65.893 16.834 1.00 26.30 N ATOM 559 CA ILE A 62 143.231 64.790 16.033 1.00 25.58 C ATOM 560 C ILE A 62 143.040 65.118 14.558 1.00 24.72 C ATOM 561 O ILE A 62 141.958 65.553 14.146 1.00 23.82 O ATOM 562 CB ILE A 62 142.530 63.467 16.395 1.00 26.52 C ATOM 563 CG1 ILE A 62 142.850 63.056 17.838 1.00 29.13 C ATOM 564 CG2 ILE A 62 142.918 62.352 15.415 1.00 27.17 C ATOM 565 CD1 ILE A 62 144.296 62.652 18.078 1.00 34.98 C ATOM 566 H ILE A 62 141.703 65.888 17.106 1.00 0.00 H ATOM 567 N LEU A 63 144.084 64.899 13.758 1.00 21.09 N ATOM 568 CA LEU A 63 143.974 65.053 12.312 1.00 21.85 C ATOM 569 C LEU A 63 143.284 63.822 11.735 1.00 24.55 C ATOM 570 O LEU A 63 143.632 62.688 12.079 1.00 24.61 O ATOM 571 CB LEU A 63 145.348 65.234 11.659 1.00 33.38 C ATOM 572 CG LEU A 63 146.419 66.120 12.308 1.00 36.54 C ATOM 573 CD1 LEU A 63 147.609 66.234 11.371 1.00 43.14 C ATOM 574 CD2 LEU A 63 145.903 67.501 12.646 1.00 32.13 C ATOM 575 H LEU A 63 144.994 64.613 14.173 1.00 0.00 H ATOM 576 N ILE A 64 142.312 64.043 10.857 1.00 23.03 N ATOM 577 CA ILE A 64 141.539 62.955 10.264 1.00 30.06 C ATOM 578 C ILE A 64 141.008 63.423 8.917 1.00 26.84 C ATOM 579 O ILE A 64 140.393 64.489 8.819 1.00 25.23 O ATOM 580 CB ILE A 64 140.392 62.505 11.196 1.00 29.67 C ATOM 581 CG1 ILE A 64 139.459 61.513 10.489 1.00 31.01 C ATOM 582 CG2 ILE A 64 139.619 63.719 11.711 1.00 25.53 C ATOM 583 CD1 ILE A 64 138.437 60.878 11.416 1.00 28.40 C ATOM 584 H ILE A 64 142.094 65.022 10.583 1.00 0.00 H ATOM 585 N GLU A 65 141.251 62.627 7.878 1.00 22.96 N ATOM 586 CA GLU A 65 140.838 62.947 6.516 1.00 29.30 C ATOM 587 C GLU A 65 139.661 62.055 6.145 1.00 32.60 C ATOM 588 O GLU A 65 139.764 60.826 6.216 1.00 29.62 O ATOM 589 CB GLU A 65 141.993 62.759 5.533 1.00 33.36 C ATOM 590 CG GLU A 65 141.662 63.160 4.103 1.00 36.06 C ATOM 591 CD GLU A 65 142.869 63.103 3.187 1.00 41.89 C ATOM 592 OE1 GLU A 65 143.901 62.530 3.597 1.00 33.66 O ATOM 593 OE2 GLU A 65 142.789 63.634 2.060 1.00 34.10 O ATOM 594 H GLU A 65 141.759 61.735 8.045 1.00 0.00 H ATOM 595 N ILE A 66 138.556 62.677 5.746 1.00 24.19 N ATOM 596 CA ILE A 66 137.304 61.983 5.467 1.00 25.31 C ATOM 597 C ILE A 66 137.016 62.134 3.981 1.00 22.75 C ATOM 598 O ILE A 66 136.708 63.235 3.507 1.00 25.04 O ATOM 599 CB ILE A 66 136.148 62.537 6.312 1.00 25.33 C ATOM 600 CG1 ILE A 66 136.489 62.457 7.804 1.00 23.46 C ATOM 601 CG2 ILE A 66 134.857 61.779 6.020 1.00 21.08 C ATOM 602 CD1 ILE A 66 135.741 63.463 8.649 1.00 23.45 C ATOM 603 H ILE A 66 138.586 63.710 5.627 1.00 0.00 H ATOM 604 N CYS A 67 137.110 61.030 3.244 1.00 28.06 N ATOM 605 CA CYS A 67 136.790 61.023 1.818 1.00 35.49 C ATOM 606 C CYS A 67 137.574 62.106 1.082 1.00 30.67 C ATOM 607 O CYS A 67 137.051 62.797 0.204 1.00 37.25 O ATOM 608 CB CYS A 67 135.286 61.199 1.602 1.00 32.74 C ATOM 609 SG CYS A 67 134.678 60.563 0.028 1.00 42.65 S ATOM 610 H CYS A 67 137.420 60.146 3.696 1.00 0.00 H ATOM 611 N GLY A 68 138.842 62.261 1.454 1.00 28.66 N ATOM 612 CA GLY A 68 139.698 63.245 0.822 1.00 34.34 C ATOM 613 C GLY A 68 139.546 64.657 1.335 1.00 37.15 C ATOM 614 O GLY A 68 139.995 65.594 0.667 1.00 42.38 O ATOM 615 H GLY A 68 139.227 61.664 2.214 1.00 0.00 H ATOM 616 N HIS A 69 138.930 64.846 2.502 1.00 29.52 N ATOM 617 CA HIS A 69 138.739 66.169 3.087 1.00 26.40 C ATOM 618 C HIS A 69 139.314 66.164 4.495 1.00 29.75 C ATOM 619 O HIS A 69 138.943 65.318 5.316 1.00 25.68 O ATOM 620 CB HIS A 69 137.257 66.558 3.114 1.00 28.28 C ATOM 621 CG HIS A 69 136.703 66.936 1.774 1.00 30.58 C ATOM 622 ND1 HIS A 69 136.461 66.015 0.776 1.00 32.97 N ATOM 623 CD2 HIS A 69 136.342 68.139 1.270 1.00 25.02 C ATOM 624 CE1 HIS A 69 135.976 66.635 -0.284 1.00 26.74 C ATOM 625 NE2 HIS A 69 135.893 67.925 -0.011 1.00 26.83 N ATOM 626 H HIS A 69 138.571 64.017 3.016 1.00 0.00 H ATOM 627 N LYS A 70 140.207 67.107 4.775 1.00 27.12 N ATOM 628 CA LYS A 70 140.901 67.137 6.053 1.00 31.91 C ATOM 629 C LYS A 70 140.034 67.765 7.136 1.00 28.25 C ATOM 630 O LYS A 70 139.282 68.713 6.888 1.00 22.64 O ATOM 631 CB LYS A 70 142.213 67.914 5.924 1.00 26.08 C ATOM 632 H LYS A 70 140.414 67.839 4.066 1.00 0.00 H ATOM 633 N ALA A 71 140.141 67.215 8.343 1.00 21.32 N ATOM 634 CA ALA A 71 139.508 67.770 9.526 1.00 19.35 C ATOM 635 C ALA A 71 140.458 67.600 10.700 1.00 21.83 C ATOM 636 O ALA A 71 141.327 66.726 10.697 1.00 23.81 O ATOM 637 CB ALA A 71 138.164 67.092 9.828 1.00 21.38 C ATOM 638 H ALA A 71 140.705 66.347 8.444 1.00 0.00 H ATOM 639 N ILE A 72 140.293 68.455 11.707 1.00 17.45 N ATOM 640 CA ILE A 72 141.069 68.369 12.939 1.00 17.67 C ATOM 641 C ILE A 72 140.111 68.661 14.083 1.00 21.10 C ATOM 642 O ILE A 72 139.655 69.799 14.238 1.00 22.59 O ATOM 643 CB ILE A 72 142.257 69.339 12.973 1.00 23.29 C ATOM 644 CG1 ILE A 72 143.105 69.183 11.708 1.00 21.68 C ATOM 645 CG2 ILE A 72 143.086 69.085 14.229 1.00 22.66 C ATOM 646 CD1 ILE A 72 144.246 70.171 11.603 1.00 24.87 C ATOM 647 H ILE A 72 139.585 69.211 11.612 1.00 0.00 H ATOM 648 N GLY A 73 139.813 67.649 14.885 1.00 21.67 N ATOM 649 CA GLY A 73 138.830 67.822 15.931 1.00 21.15 C ATOM 650 C GLY A 73 138.848 66.666 16.901 1.00 25.42 C ATOM 651 O GLY A 73 139.778 65.858 16.924 1.00 25.86 O ATOM 652 H GLY A 73 140.286 66.731 14.762 1.00 0.00 H ATOM 653 N THR A 74 137.790 66.599 17.700 1.00 23.58 N ATOM 654 CA THR A 74 137.699 65.617 18.767 1.00 20.67 C ATOM 655 C THR A 74 137.255 64.267 18.218 1.00 22.49 C ATOM 656 O THR A 74 136.352 64.183 17.380 1.00 17.85 O ATOM 657 CB THR A 74 136.728 66.105 19.843 1.00 23.85 C ATOM 658 OG1 THR A 74 137.256 67.287 20.456 1.00 23.42 O ATOM 659 CG2 THR A 74 136.507 65.046 20.914 1.00 22.66 C ATOM 660 HG1 THR A 74 138.132 67.080 20.868 1.00 0.00 H ATOM 661 H THR A 74 137.006 67.267 17.558 1.00 0.00 H ATOM 662 N VAL A 75 137.904 63.209 18.696 1.00 25.10 N ATOM 663 CA VAL A 75 137.605 61.841 18.293 1.00 24.54 C ATOM 664 C VAL A 75 137.454 61.005 19.554 1.00 28.65 C ATOM 665 O VAL A 75 138.358 60.979 20.398 1.00 26.34 O ATOM 666 CB VAL A 75 138.704 61.257 17.383 1.00 31.33 C ATOM 667 CG1 VAL A 75 138.449 59.780 17.088 1.00 28.19 C ATOM 668 CG2 VAL A 75 138.792 62.048 16.087 1.00 29.13 C ATOM 669 H VAL A 75 138.662 63.366 19.391 1.00 0.00 H ATOM 670 N LEU A 76 136.316 60.332 19.684 1.00 17.72 N ATOM 671 CA LEU A 76 136.066 59.427 20.795 1.00 20.95 C ATOM 672 C LEU A 76 136.311 57.996 20.335 1.00 22.09 C ATOM 673 O LEU A 76 135.946 57.623 19.216 1.00 22.66 O ATOM 674 CB LEU A 76 134.635 59.584 21.318 1.00 23.87 C ATOM 675 CG LEU A 76 134.197 61.020 21.633 1.00 22.61 C ATOM 676 CD1 LEU A 76 132.749 61.058 22.091 1.00 23.37 C ATOM 677 CD2 LEU A 76 135.096 61.665 22.679 1.00 23.04 C ATOM 678 H LEU A 76 135.576 60.457 18.964 1.00 0.00 H ATOM 679 N VAL A 77 136.942 57.203 21.198 1.00 18.48 N ATOM 680 CA VAL A 77 137.326 55.832 20.878 1.00 18.63 C ATOM 681 C VAL A 77 136.741 54.912 21.940 1.00 18.57 C ATOM 682 O VAL A 77 136.938 55.136 23.139 1.00 18.59 O ATOM 683 CB VAL A 77 138.858 55.676 20.796 1.00 29.15 C ATOM 684 CG1 VAL A 77 139.244 54.237 20.456 1.00 23.15 C ATOM 685 CG2 VAL A 77 139.434 56.636 19.761 1.00 27.46 C ATOM 686 H VAL A 77 137.171 57.577 22.141 1.00 0.00 H ATOM 687 N GLY A 78 136.024 53.881 21.502 1.00 23.89 N ATOM 688 CA GLY A 78 135.355 52.986 22.415 1.00 19.63 C ATOM 689 C GLY A 78 134.460 51.990 21.710 1.00 17.56 C ATOM 690 O GLY A 78 134.412 51.925 20.477 1.00 20.05 O ATOM 691 H GLY A 78 135.944 53.716 20.478 1.00 0.00 H ATOM 692 N PRO A 79 133.723 51.190 22.492 1.00 21.98 N ATOM 693 CA PRO A 79 132.937 50.071 21.935 1.00 21.53 C ATOM 694 C PRO A 79 131.657 50.526 21.237 1.00 22.53 C ATOM 695 O PRO A 79 130.538 50.209 21.652 1.00 22.40 O ATOM 696 CB PRO A 79 132.662 49.217 23.182 1.00 24.47 C ATOM 697 CG PRO A 79 132.624 50.190 24.298 1.00 25.40 C ATOM 698 CD PRO A 79 133.633 51.250 23.963 1.00 20.10 C ATOM 699 N THR A 80 131.822 51.287 20.160 1.00 22.92 N ATOM 700 CA THR A 80 130.704 51.643 19.296 1.00 17.98 C ATOM 701 C THR A 80 130.454 50.525 18.283 1.00 14.76 C ATOM 702 O THR A 80 131.401 49.881 17.825 1.00 19.34 O ATOM 703 CB THR A 80 130.985 52.954 18.559 1.00 20.81 C ATOM 704 OG1 THR A 80 129.933 53.215 17.622 1.00 19.92 O ATOM 705 CG2 THR A 80 132.314 52.889 17.807 1.00 18.96 C ATOM 706 HG1 THR A 80 129.884 52.474 16.968 1.00 0.00 H ATOM 707 H THR A 80 132.773 51.637 19.928 1.00 0.00 H ATOM 708 N PRO A 81 129.195 50.272 17.915 1.00 17.32 N ATOM 709 CA PRO A 81 128.933 49.218 16.919 1.00 16.63 C ATOM 710 C PRO A 81 129.618 49.453 15.585 1.00 20.86 C ATOM 711 O PRO A 81 129.908 48.482 14.874 1.00 19.62 O ATOM 712 CB PRO A 81 127.401 49.233 16.777 1.00 23.05 C ATOM 713 CG PRO A 81 126.946 50.500 17.401 1.00 20.85 C ATOM 714 CD PRO A 81 127.949 50.845 18.448 1.00 17.44 C ATOM 715 N VAL A 82 129.893 50.706 15.222 1.00 19.73 N ATOM 716 CA VAL A 82 130.509 51.020 13.937 1.00 17.06 C ATOM 717 C VAL A 82 131.171 52.384 14.058 1.00 21.13 C ATOM 718 O VAL A 82 130.757 53.219 14.867 1.00 19.37 O ATOM 719 CB VAL A 82 129.457 50.985 12.797 1.00 22.92 C ATOM 720 CG1 VAL A 82 128.417 52.084 12.989 1.00 22.80 C ATOM 721 CG2 VAL A 82 130.119 51.099 11.431 1.00 33.48 C ATOM 722 H VAL A 82 129.662 51.483 15.874 1.00 0.00 H ATOM 723 N ASN A 83 132.212 52.608 13.254 1.00 16.34 N ATOM 724 CA ASN A 83 132.811 53.936 13.170 1.00 19.77 C ATOM 725 C ASN A 83 131.780 54.921 12.642 1.00 16.80 C ATOM 726 O ASN A 83 131.213 54.711 11.565 1.00 15.36 O ATOM 727 CB ASN A 83 134.031 53.928 12.248 1.00 19.93 C ATOM 728 CG ASN A 83 135.114 52.961 12.694 1.00 21.61 C ATOM 729 OD1 ASN A 83 135.386 52.803 13.883 1.00 19.31 O ATOM 730 ND2 ASN A 83 135.749 52.321 11.725 1.00 23.01 N ATOM 731 HD22 ASN A 83 135.485 52.486 10.733 1.00 0.00 H ATOM 732 HD21 ASN A 83 136.512 51.653 11.956 1.00 0.00 H ATOM 733 H ASN A 83 132.600 51.830 12.683 1.00 0.00 H ATOM 734 N VAL A 84 131.542 56.003 13.380 1.00 15.14 N ATOM 735 CA VAL A 84 130.611 57.037 12.945 1.00 15.84 C ATOM 736 C VAL A 84 131.324 58.379 12.923 1.00 16.62 C ATOM 737 O VAL A 84 132.050 58.727 13.860 1.00 17.80 O ATOM 738 CB VAL A 84 129.351 57.106 13.835 1.00 17.71 C ATOM 739 CG1 VAL A 84 128.580 55.801 13.747 1.00 15.59 C ATOM 740 CG2 VAL A 84 129.708 57.437 15.282 1.00 19.81 C ATOM 741 H VAL A 84 132.033 56.113 14.290 1.00 0.00 H ATOM 742 N ILE A 85 131.120 59.119 11.838 1.00 18.11 N ATOM 743 CA ILE A 85 131.563 60.502 11.715 1.00 12.74 C ATOM 744 C ILE A 85 130.387 61.393 12.091 1.00 14.20 C ATOM 745 O ILE A 85 129.352 61.386 11.411 1.00 12.87 O ATOM 746 CB ILE A 85 132.052 60.808 10.291 1.00 15.19 C ATOM 747 CG1 ILE A 85 133.094 59.776 9.844 1.00 18.41 C ATOM 748 CG2 ILE A 85 132.611 62.224 10.208 1.00 15.68 C ATOM 749 CD1 ILE A 85 134.336 59.722 10.715 1.00 18.12 C ATOM 750 H ILE A 85 130.618 58.689 11.035 1.00 0.00 H ATOM 751 N GLY A 86 130.543 62.163 13.171 1.00 12.06 N ATOM 752 CA GLY A 86 129.493 63.023 13.665 1.00 14.82 C ATOM 753 C GLY A 86 129.643 64.462 13.193 1.00 12.43 C ATOM 754 O GLY A 86 130.548 64.820 12.444 1.00 14.14 O ATOM 755 H GLY A 86 131.453 62.143 13.674 1.00 0.00 H ATOM 756 N ARG A 87 128.718 65.301 13.671 1.00 12.62 N ATOM 757 CA ARG A 87 128.603 66.656 13.142 1.00 12.68 C ATOM 758 C ARG A 87 129.837 67.499 13.445 1.00 15.10 C ATOM 759 O ARG A 87 130.147 68.429 12.691 1.00 13.90 O ATOM 760 CB ARG A 87 127.341 67.328 13.691 1.00 12.99 C ATOM 761 CG ARG A 87 126.053 66.730 13.142 1.00 10.52 C ATOM 762 CD ARG A 87 124.822 67.530 13.542 1.00 11.14 C ATOM 763 NE ARG A 87 124.619 67.532 14.988 1.00 13.16 N ATOM 764 CZ ARG A 87 124.970 68.521 15.809 1.00 16.93 C ATOM 765 NH1 ARG A 87 125.543 69.626 15.343 1.00 12.71 N ATOM 766 NH2 ARG A 87 124.740 68.405 17.109 1.00 15.06 N ATOM 767 HE ARG A 87 124.165 66.697 15.410 1.00 0.00 H ATOM 768 HH12 ARG A 87 125.811 70.389 15.997 1.00 0.00 H ATOM 769 HH11 ARG A 87 125.724 69.728 14.324 1.00 0.00 H ATOM 770 HH22 ARG A 87 125.011 69.173 17.756 1.00 0.00 H ATOM 771 HH21 ARG A 87 124.288 67.546 17.483 1.00 0.00 H ATOM 772 H ARG A 87 128.076 64.985 14.426 1.00 0.00 H ATOM 773 N ASN A 88 130.561 67.198 14.526 1.00 14.93 N ATOM 774 CA ASN A 88 131.736 68.005 14.847 1.00 16.01 C ATOM 775 C ASN A 88 132.759 67.971 13.717 1.00 16.44 C ATOM 776 O ASN A 88 133.477 68.955 13.500 1.00 15.88 O ATOM 777 CB ASN A 88 132.371 67.542 16.161 1.00 15.50 C ATOM 778 CG ASN A 88 133.062 66.194 16.043 1.00 18.65 C ATOM 779 OD1 ASN A 88 132.510 65.238 15.503 1.00 12.17 O ATOM 780 ND2 ASN A 88 134.286 66.118 16.551 1.00 15.54 N ATOM 781 HD22 ASN A 88 134.716 66.952 17.000 1.00 0.00 H ATOM 782 HD21 ASN A 88 134.815 65.224 16.500 1.00 0.00 H ATOM 783 H ASN A 88 130.291 66.398 15.133 1.00 0.00 H ATOM 784 N LEU A 89 132.835 66.860 12.981 1.00 14.72 N ATOM 785 CA LEU A 89 133.705 66.765 11.815 1.00 16.74 C ATOM 786 C LEU A 89 132.972 66.994 10.502 1.00 16.52 C ATOM 787 O LEU A 89 133.571 67.520 9.557 1.00 13.62 O ATOM 788 CB LEU A 89 134.391 65.393 11.767 1.00 18.00 C ATOM 789 CG LEU A 89 135.278 65.024 12.958 1.00 15.68 C ATOM 790 CD1 LEU A 89 135.973 63.692 12.711 1.00 19.54 C ATOM 791 CD2 LEU A 89 136.303 66.112 13.243 1.00 20.49 C ATOM 792 H LEU A 89 132.256 66.038 13.247 1.00 0.00 H ATOM 793 N LEU A 90 131.695 66.611 10.411 1.00 15.35 N ATOM 794 CA LEU A 90 130.942 66.860 9.187 1.00 11.60 C ATOM 795 C LEU A 90 130.901 68.348 8.862 1.00 17.35 C ATOM 796 O LEU A 90 130.987 68.737 7.692 1.00 15.19 O ATOM 797 CB LEU A 90 129.525 66.302 9.312 1.00 11.95 C ATOM 798 CG LEU A 90 129.383 64.782 9.417 1.00 17.82 C ATOM 799 CD1 LEU A 90 127.932 64.412 9.666 1.00 15.44 C ATOM 800 CD2 LEU A 90 129.901 64.091 8.162 1.00 20.91 C ATOM 801 H LEU A 90 131.237 66.135 11.214 1.00 0.00 H ATOM 802 N THR A 91 130.765 69.197 9.885 1.00 14.04 N ATOM 803 CA THR A 91 130.815 70.636 9.651 1.00 17.72 C ATOM 804 C THR A 91 132.157 71.049 9.060 1.00 17.91 C ATOM 805 O THR A 91 132.217 71.927 8.192 1.00 17.63 O ATOM 806 CB THR A 91 130.554 71.403 10.951 1.00 17.73 C ATOM 807 OG1 THR A 91 131.341 70.850 12.015 1.00 18.13 O ATOM 808 CG2 THR A 91 129.074 71.367 11.324 1.00 16.55 C ATOM 809 HG1 THR A 91 131.098 69.899 12.144 1.00 0.00 H ATOM 810 H THR A 91 130.623 68.832 10.848 1.00 0.00 H ATOM 811 N GLN A 92 133.248 70.419 9.506 1.00 16.83 N ATOM 812 CA GLN A 92 134.574 70.831 9.054 1.00 18.29 C ATOM 813 C GLN A 92 134.785 70.545 7.573 1.00 22.24 C ATOM 814 O GLN A 92 135.481 71.305 6.891 1.00 21.77 O ATOM 815 CB GLN A 92 135.660 70.136 9.879 1.00 18.29 C ATOM 816 CG GLN A 92 135.728 70.608 11.316 1.00 14.44 C ATOM 817 CD GLN A 92 137.047 70.276 11.978 1.00 17.51 C ATOM 818 OE1 GLN A 92 138.028 69.944 11.310 1.00 22.88 O ATOM 819 NE2 GLN A 92 137.080 70.370 13.299 1.00 20.42 N ATOM 820 HE22 GLN A 92 136.227 70.654 13.822 1.00 0.00 H ATOM 821 HE21 GLN A 92 137.959 70.160 13.813 1.00 0.00 H ATOM 822 H GLN A 92 133.152 69.631 10.178 1.00 0.00 H ATOM 823 N ILE A 93 134.218 69.449 7.056 1.00 20.55 N ATOM 824 CA ILE A 93 134.374 69.124 5.641 1.00 19.83 C ATOM 825 C ILE A 93 133.302 69.774 4.774 1.00 21.75 C ATOM 826 O ILE A 93 133.261 69.516 3.563 1.00 17.86 O ATOM 827 CB ILE A 93 134.405 67.591 5.447 1.00 23.48 C ATOM 828 CG1 ILE A 93 133.088 66.932 5.879 1.00 20.67 C ATOM 829 CG2 ILE A 93 135.576 66.997 6.238 1.00 19.17 C ATOM 830 CD1 ILE A 93 133.003 65.447 5.523 1.00 19.91 C ATOM 831 H ILE A 93 133.660 68.821 7.669 1.00 0.00 H ATOM 832 N GLY A 94 132.450 70.621 5.349 1.00 19.00 N ATOM 833 CA GLY A 94 131.459 71.347 4.578 1.00 22.00 C ATOM 834 C GLY A 94 130.246 70.529 4.208 1.00 28.19 C ATOM 835 O GLY A 94 129.587 70.825 3.207 1.00 18.38 O ATOM 836 H GLY A 94 132.497 70.766 6.378 1.00 0.00 H ATOM 837 N CYS A 95 129.919 69.516 5.002 1.00 19.12 N ATOM 838 CA CYS A 95 128.837 68.603 4.671 1.00 19.89 C ATOM 839 C CYS A 95 127.494 69.200 5.072 1.00 21.62 C ATOM 840 O CYS A 95 127.324 69.678 6.199 1.00 23.33 O ATOM 841 CB CYS A 95 129.057 67.261 5.370 1.00 19.70 C ATOM 842 SG CYS A 95 127.933 65.971 4.853 1.00 23.54 S ATOM 843 H CYS A 95 130.451 69.372 5.884 1.00 0.00 H ATOM 844 N THR A 96 126.544 69.177 4.139 1.00 16.24 N ATOM 845 CA THR A 96 125.178 69.609 4.390 1.00 18.71 C ATOM 846 C THR A 96 124.210 68.526 3.936 1.00 19.49 C ATOM 847 O THR A 96 124.550 67.653 3.134 1.00 20.09 O ATOM 848 CB THR A 96 124.839 70.917 3.656 1.00 17.25 C ATOM 849 OG1 THR A 96 124.991 70.731 2.243 1.00 19.55 O ATOM 850 CG2 THR A 96 125.739 72.056 4.118 1.00 22.34 C ATOM 851 HG1 THR A 96 124.379 70.015 1.938 1.00 0.00 H ATOM 852 H THR A 96 126.790 68.835 3.188 1.00 0.00 H ATOM 853 N LEU A 97 122.993 68.596 4.464 1.00 18.28 N ATOM 854 CA LEU A 97 121.879 67.803 3.968 1.00 14.18 C ATOM 855 C LEU A 97 121.096 68.625 2.955 1.00 22.06 C ATOM 856 O LEU A 97 120.930 69.837 3.120 1.00 21.12 O ATOM 857 CB LEU A 97 120.958 67.363 5.106 1.00 16.90 C ATOM 858 CG LEU A 97 121.498 66.271 6.028 1.00 14.21 C ATOM 859 CD1 LEU A 97 120.675 66.218 7.298 1.00 18.50 C ATOM 860 CD2 LEU A 97 121.482 64.925 5.318 1.00 17.65 C ATOM 861 H LEU A 97 122.831 69.242 5.262 1.00 0.00 H ATOM 862 N ASN A 98 120.615 67.961 1.907 1.00 20.87 N ATOM 863 CA ASN A 98 119.934 68.640 0.814 1.00 23.78 C ATOM 864 C ASN A 98 118.782 67.787 0.315 1.00 24.95 C ATOM 865 O ASN A 98 118.965 66.599 0.036 1.00 22.78 O ATOM 866 CB ASN A 98 120.904 68.932 -0.337 1.00 21.13 C ATOM 867 CG ASN A 98 122.063 69.808 0.089 1.00 27.26 C ATOM 868 OD1 ASN A 98 123.100 69.313 0.530 1.00 26.57 O ATOM 869 ND2 ASN A 98 121.894 71.119 -0.044 1.00 23.32 N ATOM 870 HD22 ASN A 98 121.000 71.492 -0.422 1.00 0.00 H ATOM 871 HD21 ASN A 98 122.656 71.772 0.230 1.00 0.00 H ATOM 872 H ASN A 98 120.729 66.928 1.868 1.00 0.00 H ATOM 873 N PHE A 99 117.603 68.392 0.210 1.00 26.58 N ATOM 874 CA PHE A 99 116.465 67.748 -0.435 1.00 30.95 C ATOM 875 C PHE A 99 115.547 68.792 -1.062 1.00 33.83 C ATOM 876 O PHE A 99 114.579 68.453 -1.742 1.00 29.88 O ATOM 877 CB PHE A 99 115.681 66.871 0.553 1.00 31.05 C ATOM 878 CG PHE A 99 115.246 67.576 1.812 1.00 29.41 C ATOM 879 CD1 PHE A 99 116.101 67.676 2.897 1.00 33.39 C ATOM 880 CD2 PHE A 99 113.965 68.094 1.927 1.00 34.10 C ATOM 881 CE1 PHE A 99 115.698 68.306 4.062 1.00 37.84 C ATOM 882 CE2 PHE A 99 113.558 68.724 3.090 1.00 37.69 C ATOM 883 CZ PHE A 99 114.426 68.829 4.157 1.00 37.38 C ATOM 884 OXT PHE A 99 115.758 69.996 -0.913 1.00 33.41 O ATOM 885 H PHE A 99 117.489 69.350 0.598 1.00 0.00 H TER 886 PHE A 99 ATOM 887 N PRO B 1 115.363 72.131 0.526 1.00 41.32 N ATOM 888 CA PRO B 1 116.268 73.102 1.149 1.00 36.24 C ATOM 889 C PRO B 1 117.661 72.537 1.400 1.00 35.26 C ATOM 890 O PRO B 1 117.939 71.388 1.057 1.00 26.80 O ATOM 891 CB PRO B 1 115.573 73.431 2.475 1.00 33.92 C ATOM 892 CG PRO B 1 114.724 72.240 2.766 1.00 34.61 C ATOM 893 CD PRO B 1 114.267 71.741 1.428 1.00 37.45 C ATOM 894 HN2 PRO B 1 115.906 71.282 0.270 1.00 0.00 H ATOM 895 HN1 PRO B 1 114.957 72.553 -0.333 1.00 0.00 H ATOM 896 N GLN B 2 118.530 73.355 1.988 1.00 27.94 N ATOM 897 CA GLN B 2 119.845 72.922 2.434 1.00 27.00 C ATOM 898 C GLN B 2 119.926 73.100 3.940 1.00 28.65 C ATOM 899 O GLN B 2 119.579 74.165 4.462 1.00 27.42 O ATOM 900 CB GLN B 2 120.966 73.714 1.759 1.00 23.96 C ATOM 901 CG GLN B 2 122.354 73.279 2.205 1.00 26.84 C ATOM 902 CD GLN B 2 123.457 73.842 1.334 1.00 31.01 C ATOM 903 OE1 GLN B 2 123.791 73.277 0.293 1.00 36.17 O ATOM 904 NE2 GLN B 2 124.031 74.959 1.758 1.00 31.26 N ATOM 905 HE22 GLN B 2 123.716 75.402 2.645 1.00 0.00 H ATOM 906 HE21 GLN B 2 124.797 75.393 1.204 1.00 0.00 H ATOM 907 H GLN B 2 118.257 74.348 2.135 1.00 0.00 H ATOM 908 N ILE B 3 120.390 72.066 4.631 1.00 24.40 N ATOM 909 CA ILE B 3 120.497 72.076 6.083 1.00 24.54 C ATOM 910 C ILE B 3 121.961 71.906 6.443 1.00 26.27 C ATOM 911 O ILE B 3 122.582 70.896 6.088 1.00 14.79 O ATOM 912 CB ILE B 3 119.638 70.978 6.726 1.00 22.74 C ATOM 913 CG1 ILE B 3 118.167 71.202 6.366 1.00 28.03 C ATOM 914 CG2 ILE B 3 119.823 70.969 8.244 1.00 24.56 C ATOM 915 CD1 ILE B 3 117.246 70.077 6.769 1.00 24.27 C ATOM 916 H ILE B 3 120.689 71.214 4.114 1.00 0.00 H ATOM 917 N THR B 4 122.514 72.898 7.132 1.00 21.59 N ATOM 918 CA THR B 4 123.848 72.774 7.686 1.00 20.07 C ATOM 919 C THR B 4 123.790 71.978 8.986 1.00 17.50 C ATOM 920 O THR B 4 122.724 71.751 9.564 1.00 20.06 O ATOM 921 CB THR B 4 124.463 74.153 7.920 1.00 22.85 C ATOM 922 OG1 THR B 4 123.657 74.889 8.847 1.00 25.09 O ATOM 923 CG2 THR B 4 124.555 74.924 6.606 1.00 22.40 C ATOM 924 HG1 THR B 4 123.613 74.399 9.706 1.00 0.00 H ATOM 925 H THR B 4 121.981 73.779 7.277 1.00 0.00 H ATOM 926 N LEU B 5 124.961 71.551 9.451 1.00 13.95 N ATOM 927 CA LEU B 5 125.049 70.630 10.577 1.00 16.43 C ATOM 928 C LEU B 5 125.706 71.273 11.793 1.00 13.81 C ATOM 929 O LEU B 5 126.204 70.564 12.672 1.00 13.98 O ATOM 930 CB LEU B 5 125.792 69.363 10.150 1.00 18.46 C ATOM 931 CG LEU B 5 125.100 68.651 8.980 1.00 14.11 C ATOM 932 CD1 LEU B 5 125.985 67.570 8.385 1.00 18.57 C ATOM 933 CD2 LEU B 5 123.763 68.060 9.419 1.00 15.01 C ATOM 934 H LEU B 5 125.837 71.883 8.999 1.00 0.00 H ATOM 935 N TRP B 6 125.707 72.608 11.864 1.00 17.09 N ATOM 936 CA TRP B 6 126.151 73.282 13.080 1.00 16.85 C ATOM 937 C TRP B 6 125.332 72.844 14.282 1.00 18.85 C ATOM 938 O TRP B 6 125.865 72.727 15.392 1.00 22.08 O ATOM 939 CB TRP B 6 126.045 74.798 12.925 1.00 18.12 C ATOM 940 CG TRP B 6 126.963 75.394 11.909 1.00 20.95 C ATOM 941 CD1 TRP B 6 126.605 76.025 10.754 1.00 22.04 C ATOM 942 CD2 TRP B 6 128.395 75.431 11.960 1.00 19.66 C ATOM 943 NE1 TRP B 6 127.724 76.453 10.083 1.00 19.79 N ATOM 944 CE2 TRP B 6 128.836 76.100 10.801 1.00 19.64 C ATOM 945 CE3 TRP B 6 129.347 74.962 12.871 1.00 20.88 C ATOM 946 CZ2 TRP B 6 130.186 76.312 10.529 1.00 26.02 C ATOM 947 CZ3 TRP B 6 130.688 75.176 12.599 1.00 24.02 C ATOM 948 CH2 TRP B 6 131.094 75.844 11.438 1.00 21.83 C ATOM 949 HE1 TRP B 6 127.727 76.963 9.176 1.00 0.00 H ATOM 950 H TRP B 6 125.390 73.169 11.048 1.00 0.00 H ATOM 951 N LYS B 7 124.038 72.613 14.085 1.00 15.98 N ATOM 952 CA LYS B 7 123.149 72.147 15.133 1.00 14.95 C ATOM 953 C LYS B 7 122.437 70.897 14.640 1.00 17.22 C ATOM 954 O LYS B 7 122.516 70.531 13.464 1.00 14.92 O ATOM 955 CB LYS B 7 122.135 73.230 15.537 1.00 17.64 C ATOM 956 CG LYS B 7 121.091 73.560 14.470 1.00 17.35 C ATOM 957 CD LYS B 7 120.162 74.677 14.929 1.00 27.43 C ATOM 958 CE LYS B 7 118.955 74.814 14.004 1.00 31.54 C ATOM 959 NZ LYS B 7 118.073 75.958 14.373 1.00 46.96 N ATOM 960 HZ1 LYS B 7 117.719 75.823 15.341 1.00 0.00 H ATOM 961 HZ2 LYS B 7 118.616 76.843 14.322 1.00 0.00 H ATOM 962 HZ3 LYS B 7 117.271 76.003 13.712 1.00 0.00 H ATOM 963 H LYS B 7 123.644 72.774 13.136 1.00 0.00 H ATOM 964 N ARG B 8 121.741 70.245 15.555 1.00 15.59 N ATOM 965 CA ARG B 8 121.043 69.015 15.225 1.00 16.15 C ATOM 966 C ARG B 8 120.043 69.262 14.096 1.00 16.20 C ATOM 967 O ARG B 8 119.291 70.246 14.148 1.00 15.69 O ATOM 968 CB ARG B 8 120.337 68.489 16.467 1.00 18.47 C ATOM 969 CG ARG B 8 121.288 68.041 17.556 1.00 21.64 C ATOM 970 CD ARG B 8 120.578 67.215 18.609 1.00 25.24 C ATOM 971 NE ARG B 8 121.522 66.613 19.545 1.00 31.04 N ATOM 972 CZ ARG B 8 121.244 65.577 20.330 1.00 37.86 C ATOM 973 NH1 ARG B 8 120.046 65.008 20.297 1.00 32.77 N ATOM 974 NH2 ARG B 8 122.174 65.102 21.148 1.00 37.02 N ATOM 975 HE ARG B 8 122.476 67.022 19.602 1.00 0.00 H ATOM 976 HH12 ARG B 8 119.838 64.198 20.915 1.00 0.00 H ATOM 977 HH11 ARG B 8 119.315 65.372 19.653 1.00 0.00 H ATOM 978 HH22 ARG B 8 121.960 64.292 21.764 1.00 0.00 H ATOM 979 HH21 ARG B 8 123.117 65.540 21.174 1.00 0.00 H ATOM 980 H ARG B 8 121.693 70.618 16.525 1.00 0.00 H ATOM 981 N PRO B 9 120.008 68.409 13.052 1.00 12.50 N ATOM 982 CA PRO B 9 119.075 68.647 11.925 1.00 13.96 C ATOM 983 C PRO B 9 117.643 68.239 12.254 1.00 16.73 C ATOM 984 O PRO B 9 117.100 67.250 11.750 1.00 15.73 O ATOM 985 CB PRO B 9 119.691 67.801 10.804 1.00 15.62 C ATOM 986 CG PRO B 9 120.367 66.680 11.507 1.00 13.86 C ATOM 987 CD PRO B 9 120.892 67.255 12.797 1.00 15.13 C ATOM 988 N LEU B 10 117.013 69.028 13.121 1.00 13.37 N ATOM 989 CA LEU B 10 115.651 68.777 13.570 1.00 17.44 C ATOM 990 C LEU B 10 114.649 69.400 12.608 1.00 22.46 C ATOM 991 O LEU B 10 114.800 70.560 12.210 1.00 14.58 O ATOM 992 CB LEU B 10 115.446 69.346 14.975 1.00 17.57 C ATOM 993 CG LEU B 10 116.042 68.529 16.120 1.00 24.70 C ATOM 994 CD1 LEU B 10 116.028 69.323 17.415 1.00 27.90 C ATOM 995 CD2 LEU B 10 115.268 67.236 16.282 1.00 29.54 C ATOM 996 H LEU B 10 117.515 69.859 13.494 1.00 0.00 H ATOM 997 N VAL B 11 113.622 68.628 12.242 1.00 18.36 N ATOM 998 CA VAL B 11 112.541 69.116 11.397 1.00 22.72 C ATOM 999 C VAL B 11 111.210 68.651 11.969 1.00 21.37 C ATOM 1000 O VAL B 11 111.136 67.706 12.758 1.00 19.85 O ATOM 1001 CB VAL B 11 112.674 68.650 9.928 1.00 21.44 C ATOM 1002 CG1 VAL B 11 113.955 69.183 9.321 1.00 22.80 C ATOM 1003 CG2 VAL B 11 112.619 67.129 9.831 1.00 18.45 C ATOM 1004 H VAL B 11 113.593 67.642 12.573 1.00 0.00 H ATOM 1005 N THR B 12 110.150 69.334 11.550 1.00 18.23 N ATOM 1006 CA THR B 12 108.800 68.926 11.901 1.00 19.05 C ATOM 1007 C THR B 12 108.328 67.830 10.955 1.00 19.40 C ATOM 1008 O THR B 12 108.575 67.880 9.747 1.00 19.41 O ATOM 1009 CB THR B 12 107.840 70.115 11.832 1.00 21.18 C ATOM 1010 OG1 THR B 12 108.336 71.189 12.641 1.00 20.52 O ATOM 1011 CG2 THR B 12 106.448 69.713 12.316 1.00 18.67 C ATOM 1012 HG1 THR B 12 108.413 70.885 13.580 1.00 0.00 H ATOM 1013 H THR B 12 110.289 70.178 10.959 1.00 0.00 H ATOM 1014 N ILE B 13 107.647 66.833 11.516 1.00 19.25 N ATOM 1015 CA ILE B 13 107.063 65.754 10.736 1.00 18.27 C ATOM 1016 C ILE B 13 105.593 65.630 11.110 1.00 20.31 C ATOM 1017 O ILE B 13 105.152 66.103 12.159 1.00 17.78 O ATOM 1018 CB ILE B 13 107.792 64.410 10.960 1.00 20.17 C ATOM 1019 CG1 ILE B 13 107.560 63.908 12.392 1.00 20.42 C ATOM 1020 CG2 ILE B 13 109.279 64.576 10.666 1.00 24.18 C ATOM 1021 CD1 ILE B 13 108.131 62.539 12.674 1.00 24.84 C ATOM 1022 H ILE B 13 107.529 66.826 12.549 1.00 0.00 H ATOM 1023 N LYS B 14 104.834 64.981 10.231 1.00 21.49 N ATOM 1024 CA LYS B 14 103.430 64.674 10.470 1.00 21.63 C ATOM 1025 C LYS B 14 103.244 63.176 10.293 1.00 23.26 C ATOM 1026 O LYS B 14 103.553 62.634 9.227 1.00 22.66 O ATOM 1027 CB LYS B 14 102.521 65.459 9.520 1.00 30.47 C ATOM 1028 CG LYS B 14 101.041 65.142 9.675 1.00 37.22 C ATOM 1029 CD LYS B 14 100.152 66.224 9.065 1.00 37.55 C ATOM 1030 CE LYS B 14 100.484 66.488 7.601 1.00 45.48 C ATOM 1031 NZ LYS B 14 99.400 67.241 6.903 1.00 51.82 N ATOM 1032 HZ1 LYS B 14 98.518 66.691 6.941 1.00 0.00 H ATOM 1033 HZ2 LYS B 14 99.259 68.158 7.373 1.00 0.00 H ATOM 1034 HZ3 LYS B 14 99.671 67.397 5.911 1.00 0.00 H ATOM 1035 H LYS B 14 105.262 64.679 9.333 1.00 0.00 H ATOM 1036 N ILE B 15 102.757 62.509 11.337 1.00 26.00 N ATOM 1037 CA ILE B 15 102.572 61.061 11.315 1.00 29.10 C ATOM 1038 C ILE B 15 101.337 60.722 12.134 1.00 27.43 C ATOM 1039 O ILE B 15 101.181 61.201 13.262 1.00 27.68 O ATOM 1040 CB ILE B 15 103.800 60.305 11.861 1.00 31.06 C ATOM 1041 CG1 ILE B 15 103.468 58.813 11.987 1.00 31.14 C ATOM 1042 CG2 ILE B 15 104.241 60.892 13.203 1.00 25.43 C ATOM 1043 CD1 ILE B 15 104.636 57.944 12.336 1.00 33.05 C ATOM 1044 H ILE B 15 102.500 63.036 12.196 1.00 0.00 H ATOM 1045 N GLY B 16 100.473 59.881 11.576 1.00 33.24 N ATOM 1046 CA GLY B 16 99.248 59.515 12.274 1.00 41.33 C ATOM 1047 C GLY B 16 98.476 60.717 12.768 1.00 35.26 C ATOM 1048 O GLY B 16 97.933 60.701 13.880 1.00 40.76 O ATOM 1049 H GLY B 16 100.672 59.482 10.636 1.00 0.00 H ATOM 1050 N GLY B 17 98.435 61.776 11.965 1.00 34.62 N ATOM 1051 CA GLY B 17 97.733 62.985 12.339 1.00 36.92 C ATOM 1052 C GLY B 17 98.340 63.747 13.494 1.00 39.88 C ATOM 1053 O GLY B 17 97.650 64.562 14.113 1.00 33.11 O ATOM 1054 H GLY B 17 98.919 61.734 11.046 1.00 0.00 H ATOM 1055 N GLN B 18 99.613 63.512 13.806 1.00 30.40 N ATOM 1056 CA GLN B 18 100.310 64.245 14.852 1.00 26.54 C ATOM 1057 C GLN B 18 101.548 64.919 14.280 1.00 28.59 C ATOM 1058 O GLN B 18 102.214 64.377 13.393 1.00 26.21 O ATOM 1059 CB GLN B 18 100.732 63.330 16.009 1.00 40.55 C ATOM 1060 CG GLN B 18 99.582 62.733 16.794 1.00 43.54 C ATOM 1061 CD GLN B 18 99.964 62.427 18.228 1.00 57.14 C ATOM 1062 OE1 GLN B 18 100.754 61.521 18.493 1.00 58.93 O ATOM 1063 NE2 GLN B 18 99.413 63.194 19.165 1.00 53.91 N ATOM 1064 HE22 GLN B 18 98.750 63.949 18.896 1.00 0.00 H ATOM 1065 HE21 GLN B 18 99.645 63.039 20.167 1.00 0.00 H ATOM 1066 H GLN B 18 100.129 62.776 13.282 1.00 0.00 H ATOM 1067 N LEU B 19 101.854 66.104 14.803 1.00 25.33 N ATOM 1068 CA LEU B 19 103.077 66.818 14.463 1.00 25.45 C ATOM 1069 C LEU B 19 104.128 66.556 15.531 1.00 31.60 C ATOM 1070 O LEU B 19 103.856 66.704 16.727 1.00 33.21 O ATOM 1071 CB LEU B 19 102.831 68.322 14.337 1.00 28.77 C ATOM 1072 CG LEU B 19 101.887 68.803 13.234 1.00 26.93 C ATOM 1073 CD1 LEU B 19 101.898 70.321 13.177 1.00 26.00 C ATOM 1074 CD2 LEU B 19 102.265 68.214 11.883 1.00 31.02 C ATOM 1075 H LEU B 19 101.194 66.537 15.481 1.00 0.00 H ATOM 1076 N LYS B 20 105.326 66.170 15.096 1.00 24.22 N ATOM 1077 CA LYS B 20 106.431 65.899 16.000 1.00 24.38 C ATOM 1078 C LYS B 20 107.706 66.487 15.410 1.00 20.16 C ATOM 1079 O LYS B 20 107.752 66.884 14.243 1.00 21.32 O ATOM 1080 CB LYS B 20 106.584 64.392 16.246 1.00 23.68 C ATOM 1081 CG LYS B 20 105.332 63.748 16.819 1.00 31.80 C ATOM 1082 CD LYS B 20 105.516 62.260 17.084 1.00 32.80 C ATOM 1083 CE LYS B 20 104.334 61.683 17.849 1.00 43.20 C ATOM 1084 NZ LYS B 20 104.139 62.327 19.179 1.00 46.41 N ATOM 1085 HZ1 LYS B 20 104.992 62.189 19.758 1.00 0.00 H ATOM 1086 HZ2 LYS B 20 103.968 63.345 19.048 1.00 0.00 H ATOM 1087 HZ3 LYS B 20 103.321 61.895 19.655 1.00 0.00 H ATOM 1088 H LYS B 20 105.476 66.059 14.073 1.00 0.00 H ATOM 1089 N GLU B 21 108.744 66.559 16.239 1.00 22.56 N ATOM 1090 CA GLU B 21 110.075 66.947 15.794 1.00 25.34 C ATOM 1091 C GLU B 21 110.945 65.703 15.689 1.00 25.01 C ATOM 1092 O GLU B 21 110.864 64.807 16.536 1.00 18.05 O ATOM 1093 CB GLU B 21 110.714 67.949 16.759 1.00 27.56 C ATOM 1094 CG GLU B 21 109.991 69.287 16.874 1.00 35.75 C ATOM 1095 CD GLU B 21 109.923 70.038 15.558 1.00 38.76 C ATOM 1096 OE1 GLU B 21 108.878 69.954 14.880 1.00 41.97 O ATOM 1097 OE2 GLU B 21 110.915 70.707 15.195 1.00 36.01 O ATOM 1098 H GLU B 21 108.599 66.329 17.243 1.00 0.00 H ATOM 1099 N ALA B 22 111.751 65.643 14.639 1.00 17.07 N ATOM 1100 CA ALA B 22 112.636 64.512 14.435 1.00 20.11 C ATOM 1101 C ALA B 22 113.913 64.928 13.717 1.00 16.10 C ATOM 1102 O ALA B 22 113.917 65.898 12.988 1.00 16.18 O ATOM 1103 CB ALA B 22 111.939 63.427 13.636 1.00 16.26 C ATOM 1104 H ALA B 22 111.749 66.421 13.949 1.00 0.00 H ATOM 1105 N LEU B 23 114.971 64.160 13.925 1.00 13.81 N ATOM 1106 CA LEU B 23 116.266 64.392 13.309 1.00 18.76 C ATOM 1107 C LEU B 23 116.376 63.702 11.941 1.00 15.65 C ATOM 1108 O LEU B 23 115.927 62.575 11.806 1.00 16.86 O ATOM 1109 CB LEU B 23 117.357 63.774 14.190 1.00 19.32 C ATOM 1110 CG LEU B 23 117.919 64.534 15.377 1.00 21.83 C ATOM 1111 CD1 LEU B 23 119.210 63.905 15.847 1.00 28.71 C ATOM 1112 CD2 LEU B 23 118.117 65.986 15.035 1.00 27.54 C ATOM 1113 H LEU B 23 114.870 63.346 14.564 1.00 0.00 H ATOM 1114 N LEU B 24 116.959 64.362 10.941 1.00 13.38 N ATOM 1115 CA LEU B 24 117.207 63.729 9.647 1.00 14.64 C ATOM 1116 C LEU B 24 118.533 63.023 9.924 1.00 18.69 C ATOM 1117 O LEU B 24 119.559 63.672 9.989 1.00 13.91 O ATOM 1118 CB LEU B 24 117.360 64.754 8.535 1.00 19.02 C ATOM 1119 CG LEU B 24 116.135 65.630 8.281 1.00 19.84 C ATOM 1120 CD1 LEU B 24 116.416 66.616 7.159 1.00 24.21 C ATOM 1121 CD2 LEU B 24 114.922 64.778 7.973 1.00 20.03 C ATOM 1122 H LEU B 24 117.245 65.352 11.085 1.00 0.00 H ATOM 1123 N ASP B 25 118.502 61.698 10.007 1.00 14.40 N ATOM 1124 CA ASP B 25 119.645 60.927 10.494 1.00 12.00 C ATOM 1125 C ASP B 25 120.113 59.951 9.420 1.00 17.17 C ATOM 1126 O ASP B 25 119.535 58.873 9.255 1.00 14.61 O ATOM 1127 CB ASP B 25 119.279 60.196 11.780 1.00 9.71 C ATOM 1128 CG ASP B 25 120.482 59.570 12.451 1.00 14.20 C ATOM 1129 OD1 ASP B 25 121.581 59.599 11.855 1.00 14.10 O ATOM 1130 OD2 ASP B 25 120.331 59.060 13.580 1.00 14.33 O ATOM 1131 H ASP B 25 117.640 61.194 9.717 1.00 0.00 H ATOM 1132 N THR B 26 121.183 60.323 8.710 1.00 14.36 N ATOM 1133 CA THR B 26 121.781 59.437 7.719 1.00 14.49 C ATOM 1134 C THR B 26 122.403 58.198 8.354 1.00 16.40 C ATOM 1135 O THR B 26 122.639 57.208 7.653 1.00 15.20 O ATOM 1136 CB THR B 26 122.845 60.186 6.914 1.00 12.71 C ATOM 1137 OG1 THR B 26 123.912 60.592 7.782 1.00 17.75 O ATOM 1138 CG2 THR B 26 122.248 61.416 6.242 1.00 12.92 C ATOM 1139 HG1 THR B 26 124.319 59.792 8.200 1.00 0.00 H ATOM 1140 H THR B 26 121.597 61.264 8.868 1.00 0.00 H ATOM 1141 N GLY B 27 122.680 58.232 9.656 1.00 13.15 N ATOM 1142 CA GLY B 27 123.217 57.075 10.343 1.00 14.88 C ATOM 1143 C GLY B 27 122.185 56.067 10.790 1.00 13.08 C ATOM 1144 O GLY B 27 122.559 54.997 11.276 1.00 12.14 O ATOM 1145 H GLY B 27 122.507 59.107 10.191 1.00 0.00 H ATOM 1146 N ALA B 28 120.901 56.384 10.639 1.00 14.79 N ATOM 1147 CA ALA B 28 119.816 55.492 11.024 1.00 13.35 C ATOM 1148 C ALA B 28 119.326 54.744 9.792 1.00 13.56 C ATOM 1149 O ALA B 28 118.847 55.363 8.837 1.00 15.06 O ATOM 1150 CB ALA B 28 118.672 56.278 11.660 1.00 14.06 C ATOM 1151 H ALA B 28 120.662 57.309 10.228 1.00 0.00 H ATOM 1152 N ASP B 29 119.452 53.415 9.812 1.00 16.79 N ATOM 1153 CA ASP B 29 118.898 52.610 8.727 1.00 16.09 C ATOM 1154 C ASP B 29 117.406 52.862 8.578 1.00 18.88 C ATOM 1155 O ASP B 29 116.903 53.062 7.466 1.00 16.20 O ATOM 1156 CB ASP B 29 119.147 51.122 8.979 1.00 23.79 C ATOM 1157 CG ASP B 29 120.606 50.739 8.866 1.00 21.95 C ATOM 1158 OD1 ASP B 29 121.391 51.509 8.275 1.00 21.46 O ATOM 1159 OD2 ASP B 29 120.958 49.653 9.362 1.00 17.82 O ATOM 1160 H ASP B 29 119.946 52.952 10.602 1.00 0.00 H ATOM 1161 N ASP B 30 116.686 52.864 9.695 1.00 16.84 N ATOM 1162 CA ASP B 30 115.236 52.905 9.691 1.00 17.95 C ATOM 1163 C ASP B 30 114.741 53.944 10.683 1.00 15.52 C ATOM 1164 O ASP B 30 115.379 54.215 11.705 1.00 17.72 O ATOM 1165 CB ASP B 30 114.652 51.529 10.026 1.00 21.17 C ATOM 1166 CG ASP B 30 114.808 50.543 8.886 1.00 25.76 C ATOM 1167 OD1 ASP B 30 114.292 50.822 7.784 1.00 20.35 O ATOM 1168 OD2 ASP B 30 115.461 49.498 9.087 1.00 25.47 O ATOM 1169 H ASP B 30 117.182 52.835 10.609 1.00 0.00 H ATOM 1170 N THR B 31 113.591 54.522 10.358 1.00 15.53 N ATOM 1171 CA THR B 31 112.989 55.560 11.178 1.00 14.38 C ATOM 1172 C THR B 31 112.518 54.983 12.510 1.00 19.09 C ATOM 1173 O THR B 31 111.888 53.920 12.554 1.00 15.54 O ATOM 1174 CB THR B 31 111.825 56.191 10.411 1.00 17.58 C ATOM 1175 OG1 THR B 31 112.329 56.837 9.233 1.00 17.61 O ATOM 1176 CG2 THR B 31 111.072 57.206 11.256 1.00 14.58 C ATOM 1177 HG1 THR B 31 112.781 56.169 8.660 1.00 0.00 H ATOM 1178 H THR B 31 113.105 54.222 9.489 1.00 0.00 H ATOM 1179 N VAL B 32 112.830 55.685 13.599 1.00 16.06 N ATOM 1180 CA VAL B 32 112.440 55.285 14.947 1.00 15.81 C ATOM 1181 C VAL B 32 111.824 56.494 15.634 1.00 19.26 C ATOM 1182 O VAL B 32 112.443 57.563 15.678 1.00 14.67 O ATOM 1183 CB VAL B 32 113.637 54.763 15.767 1.00 18.71 C ATOM 1184 CG1 VAL B 32 113.147 54.077 17.038 1.00 18.26 C ATOM 1185 CG2 VAL B 32 114.503 53.822 14.937 1.00 26.31 C ATOM 1186 H VAL B 32 113.378 56.561 13.482 1.00 0.00 H ATOM 1187 N LEU B 33 110.617 56.330 16.177 1.00 18.07 N ATOM 1188 CA LEU B 33 109.906 57.430 16.814 1.00 17.02 C ATOM 1189 C LEU B 33 109.570 57.096 18.260 1.00 23.81 C ATOM 1190 O LEU B 33 109.383 55.931 18.624 1.00 17.01 O ATOM 1191 CB LEU B 33 108.614 57.775 16.067 1.00 20.63 C ATOM 1192 CG LEU B 33 108.753 58.260 14.623 1.00 19.75 C ATOM 1193 CD1 LEU B 33 107.385 58.607 14.094 1.00 26.19 C ATOM 1194 CD2 LEU B 33 109.687 59.456 14.499 1.00 22.96 C ATOM 1195 H LEU B 33 110.171 55.391 16.145 1.00 0.00 H ATOM 1196 N GLU B 34 109.489 58.148 19.075 1.00 22.83 N ATOM 1197 CA GLU B 34 109.074 58.053 20.468 1.00 29.41 C ATOM 1198 C GLU B 34 107.801 57.230 20.616 1.00 31.25 C ATOM 1199 O GLU B 34 107.032 57.082 19.659 1.00 21.26 O ATOM 1200 CB GLU B 34 108.849 59.452 21.041 1.00 35.34 C ATOM 1201 CG GLU B 34 107.709 60.197 20.367 1.00 41.80 C ATOM 1202 CD GLU B 34 107.517 61.590 20.924 1.00 50.75 C ATOM 1203 OE1 GLU B 34 107.087 61.708 22.090 1.00 52.31 O ATOM 1204 OE2 GLU B 34 107.809 62.568 20.202 1.00 41.01 O ATOM 1205 H GLU B 34 109.735 59.085 18.697 1.00 0.00 H ATOM 1206 N GLU B 35 107.569 56.702 21.815 1.00 32.08 N ATOM 1207 CA GLU B 35 106.342 55.972 22.099 1.00 35.51 C ATOM 1208 C GLU B 35 105.129 56.782 21.680 1.00 35.03 C ATOM 1209 O GLU B 35 104.923 57.908 22.144 1.00 35.78 O ATOM 1210 CB GLU B 35 106.260 55.635 23.590 1.00 43.50 C ATOM 1211 CG GLU B 35 105.001 54.875 23.989 1.00 38.83 C ATOM 1212 CD GLU B 35 104.814 53.594 23.199 1.00 39.91 C ATOM 1213 OE1 GLU B 35 105.820 52.893 22.961 1.00 30.10 O ATOM 1214 OE2 GLU B 35 103.665 53.292 22.809 1.00 40.24 O ATOM 1215 H GLU B 35 108.280 56.813 22.566 1.00 0.00 H ATOM 1216 N MET B 36 104.329 56.198 20.796 1.00 29.67 N ATOM 1217 CA MET B 36 103.055 56.771 20.404 1.00 43.54 C ATOM 1218 C MET B 36 102.132 55.617 20.064 1.00 37.60 C ATOM 1219 O MET B 36 102.566 54.589 19.536 1.00 34.37 O ATOM 1220 CB MET B 36 103.182 57.733 19.217 1.00 35.52 C ATOM 1221 CG MET B 36 103.622 57.074 17.923 1.00 39.98 C ATOM 1222 SD MET B 36 104.006 58.277 16.635 1.00 36.74 S ATOM 1223 CE MET B 36 102.481 59.216 16.564 1.00 43.71 C ATOM 1224 H MET B 36 104.626 55.297 20.369 1.00 0.00 H ATOM 1225 N ASN B 37 100.851 55.801 20.366 1.00 44.07 N ATOM 1226 CA ASN B 37 99.878 54.720 20.239 1.00 39.60 C ATOM 1227 C ASN B 37 99.277 54.769 18.836 1.00 37.02 C ATOM 1228 O ASN B 37 98.223 55.360 18.593 1.00 46.30 O ATOM 1229 CB ASN B 37 98.813 54.830 21.324 1.00 39.92 C ATOM 1230 H ASN B 37 100.535 56.734 20.700 1.00 0.00 H ATOM 1231 N LEU B 38 99.981 54.124 17.888 1.00 40.85 N ATOM 1232 CA LEU B 38 99.527 53.984 16.511 1.00 36.51 C ATOM 1233 C LEU B 38 98.555 52.810 16.374 1.00 49.61 C ATOM 1234 O LEU B 38 98.673 51.811 17.090 1.00 45.34 O ATOM 1235 CB LEU B 38 100.713 53.757 15.573 1.00 40.92 C ATOM 1236 CG LEU B 38 101.532 54.953 15.082 1.00 41.23 C ATOM 1237 CD1 LEU B 38 102.788 54.466 14.373 1.00 35.44 C ATOM 1238 CD2 LEU B 38 100.713 55.831 14.150 1.00 42.30 C ATOM 1239 H LEU B 38 100.895 53.704 18.152 1.00 0.00 H ATOM 1240 N PRO B 39 97.602 52.892 15.447 1.00 44.31 N ATOM 1241 CA PRO B 39 96.704 51.759 15.211 1.00 48.30 C ATOM 1242 C PRO B 39 97.304 50.741 14.251 1.00 36.27 C ATOM 1243 O PRO B 39 98.288 50.995 13.555 1.00 35.41 O ATOM 1244 CB PRO B 39 95.464 52.419 14.601 1.00 47.58 C ATOM 1245 CG PRO B 39 96.018 53.569 13.844 1.00 48.10 C ATOM 1246 CD PRO B 39 97.221 54.060 14.629 1.00 50.74 C ATOM 1247 N GLY B 40 96.684 49.567 14.228 1.00 47.76 N ATOM 1248 CA GLY B 40 97.058 48.509 13.310 1.00 42.72 C ATOM 1249 C GLY B 40 98.091 47.570 13.902 1.00 33.88 C ATOM 1250 O GLY B 40 98.563 47.732 15.032 1.00 35.89 O ATOM 1251 H GLY B 40 95.902 49.400 14.893 1.00 0.00 H ATOM 1252 N ARG B 41 98.444 46.562 13.104 1.00 24.61 N ATOM 1253 CA ARG B 41 99.336 45.503 13.552 1.00 35.40 C ATOM 1254 C ARG B 41 100.794 45.958 13.502 1.00 34.07 C ATOM 1255 O ARG B 41 101.129 47.019 12.968 1.00 30.71 O ATOM 1256 CB ARG B 41 99.148 44.248 12.701 1.00 31.79 C ATOM 1257 CG ARG B 41 97.766 43.627 12.810 1.00 37.98 C ATOM 1258 CD ARG B 41 97.611 42.469 11.841 1.00 48.09 C ATOM 1259 NE ARG B 41 98.345 41.284 12.277 1.00 49.36 N ATOM 1260 CZ ARG B 41 98.730 40.300 11.469 1.00 50.84 C ATOM 1261 NH1 ARG B 41 98.470 40.354 10.169 1.00 61.83 N ATOM 1262 NH2 ARG B 41 99.389 39.260 11.961 1.00 51.44 N ATOM 1263 HE ARG B 41 98.582 41.204 13.286 1.00 0.00 H ATOM 1264 HH12 ARG B 41 98.775 39.580 9.545 1.00 0.00 H ATOM 1265 HH11 ARG B 41 97.961 41.170 9.774 1.00 0.00 H ATOM 1266 HH22 ARG B 41 99.691 38.490 11.330 1.00 0.00 H ATOM 1267 HH21 ARG B 41 99.604 39.214 12.977 1.00 0.00 H ATOM 1268 H ARG B 41 98.071 46.532 12.134 1.00 0.00 H ATOM 1269 N TRP B 42 101.669 45.124 14.060 1.00 27.87 N ATOM 1270 CA TRP B 42 103.086 45.447 14.153 1.00 28.72 C ATOM 1271 C TRP B 42 103.852 44.179 14.493 1.00 35.43 C ATOM 1272 O TRP B 42 103.270 43.176 14.914 1.00 23.24 O ATOM 1273 CB TRP B 42 103.340 46.529 15.206 1.00 21.64 C ATOM 1274 CG TRP B 42 102.741 46.199 16.540 1.00 31.33 C ATOM 1275 CD1 TRP B 42 101.460 46.435 16.942 1.00 35.78 C ATOM 1276 CD2 TRP B 42 103.398 45.566 17.645 1.00 32.43 C ATOM 1277 NE1 TRP B 42 101.277 45.992 18.229 1.00 34.64 N ATOM 1278 CE2 TRP B 42 102.452 45.453 18.684 1.00 34.94 C ATOM 1279 CE3 TRP B 42 104.694 45.087 17.857 1.00 33.40 C ATOM 1280 CZ2 TRP B 42 102.763 44.884 19.917 1.00 33.16 C ATOM 1281 CZ3 TRP B 42 104.999 44.520 19.081 1.00 32.74 C ATOM 1282 CH2 TRP B 42 104.038 44.423 20.095 1.00 37.90 C ATOM 1283 HE1 TRP B 42 100.391 46.055 18.770 1.00 0.00 H ATOM 1284 H TRP B 42 101.331 44.217 14.440 1.00 0.00 H ATOM 1285 N LYS B 43 105.172 44.237 14.298 1.00 28.61 N ATOM 1286 CA LYS B 43 106.048 43.125 14.619 1.00 27.23 C ATOM 1287 C LYS B 43 107.151 43.578 15.571 1.00 27.15 C ATOM 1288 O LYS B 43 107.676 44.685 15.417 1.00 23.25 O ATOM 1289 CB LYS B 43 106.681 42.538 13.348 1.00 25.21 C ATOM 1290 H LYS B 43 105.585 45.106 13.904 1.00 0.00 H ATOM 1291 N PRO B 44 107.518 42.766 16.562 1.00 26.42 N ATOM 1292 CA PRO B 44 108.614 43.161 17.454 1.00 22.75 C ATOM 1293 C PRO B 44 109.938 43.225 16.714 1.00 21.20 C ATOM 1294 O PRO B 44 110.195 42.452 15.788 1.00 17.26 O ATOM 1295 CB PRO B 44 108.632 42.056 18.519 1.00 27.73 C ATOM 1296 CG PRO B 44 107.316 41.373 18.409 1.00 25.98 C ATOM 1297 CD PRO B 44 106.917 41.485 16.975 1.00 24.93 C ATOM 1298 N LYS B 45 110.787 44.159 17.139 1.00 18.33 N ATOM 1299 CA LYS B 45 112.130 44.261 16.588 1.00 18.42 C ATOM 1300 C LYS B 45 113.084 44.766 17.661 1.00 19.04 C ATOM 1301 O LYS B 45 112.674 45.353 18.664 1.00 18.01 O ATOM 1302 CB LYS B 45 112.180 45.186 15.364 1.00 19.64 C ATOM 1303 CG LYS B 45 113.483 45.080 14.582 1.00 20.10 C ATOM 1304 CD LYS B 45 113.450 45.869 13.289 1.00 30.63 C ATOM 1305 CE LYS B 45 114.747 45.687 12.516 1.00 30.86 C ATOM 1306 NZ LYS B 45 114.797 46.510 11.276 1.00 39.96 N ATOM 1307 HZ1 LYS B 45 114.012 46.240 10.650 1.00 0.00 H ATOM 1308 HZ2 LYS B 45 114.713 47.516 11.525 1.00 0.00 H ATOM 1309 HZ3 LYS B 45 115.702 46.347 10.789 1.00 0.00 H ATOM 1310 H LYS B 45 110.485 44.827 17.877 1.00 0.00 H ATOM 1311 N MET B 46 114.370 44.515 17.431 1.00 17.43 N ATOM 1312 CA MET B 46 115.448 45.020 18.268 1.00 17.99 C ATOM 1313 C MET B 46 116.423 45.762 17.372 1.00 18.46 C ATOM 1314 O MET B 46 116.830 45.238 16.330 1.00 17.68 O ATOM 1315 CB MET B 46 116.167 43.884 19.007 1.00 22.64 C ATOM 1316 CG MET B 46 115.359 43.263 20.134 1.00 22.35 C ATOM 1317 SD MET B 46 115.619 44.066 21.725 1.00 37.84 S ATOM 1318 CE MET B 46 117.035 43.160 22.350 1.00 28.66 C ATOM 1319 H MET B 46 114.618 43.927 16.610 1.00 0.00 H ATOM 1320 N ILE B 47 116.788 46.980 17.768 1.00 18.70 N ATOM 1321 CA ILE B 47 117.721 47.805 17.012 1.00 17.98 C ATOM 1322 C ILE B 47 118.855 48.217 17.934 1.00 18.35 C ATOM 1323 O ILE B 47 118.628 48.561 19.101 1.00 15.37 O ATOM 1324 CB ILE B 47 117.027 49.036 16.393 1.00 19.42 C ATOM 1325 CG1 ILE B 47 116.382 49.902 17.480 1.00 19.30 C ATOM 1326 CG2 ILE B 47 115.987 48.583 15.378 1.00 22.02 C ATOM 1327 CD1 ILE B 47 115.877 51.240 16.979 1.00 26.33 C ATOM 1328 H ILE B 47 116.391 47.357 18.652 1.00 0.00 H ATOM 1329 N GLY B 48 120.077 48.179 17.416 1.00 19.07 N ATOM 1330 CA GLY B 48 121.264 48.391 18.217 1.00 21.36 C ATOM 1331 C GLY B 48 122.009 49.640 17.800 1.00 16.11 C ATOM 1332 O GLY B 48 121.971 50.053 16.638 1.00 12.20 O ATOM 1333 H GLY B 48 120.185 47.990 16.399 1.00 0.00 H ATOM 1334 N GLY B 49 122.679 50.246 18.757 1.00 19.03 N ATOM 1335 CA GLY B 49 123.534 51.384 18.502 1.00 19.48 C ATOM 1336 C GLY B 49 124.478 51.544 19.660 1.00 18.59 C ATOM 1337 O GLY B 49 124.760 50.582 20.390 1.00 14.06 O ATOM 1338 H GLY B 49 122.590 49.894 19.732 1.00 0.00 H ATOM 1339 N ILE B 50 124.975 52.763 19.848 1.00 19.71 N ATOM 1340 CA ILE B 50 125.851 53.038 20.978 1.00 19.29 C ATOM 1341 C ILE B 50 125.090 52.787 22.270 1.00 18.06 C ATOM 1342 O ILE B 50 123.997 53.328 22.481 1.00 16.38 O ATOM 1343 CB ILE B 50 126.385 54.476 20.895 1.00 16.78 C ATOM 1344 CG1 ILE B 50 127.396 54.585 19.752 1.00 18.38 C ATOM 1345 CG2 ILE B 50 127.014 54.903 22.221 1.00 17.41 C ATOM 1346 CD1 ILE B 50 127.796 56.000 19.411 1.00 24.06 C ATOM 1347 H ILE B 50 124.736 53.526 19.183 1.00 0.00 H ATOM 1348 N GLY B 51 125.665 51.955 23.140 1.00 21.96 N ATOM 1349 CA GLY B 51 125.055 51.606 24.403 1.00 22.76 C ATOM 1350 C GLY B 51 124.300 50.291 24.415 1.00 25.47 C ATOM 1351 O GLY B 51 123.989 49.788 25.503 1.00 23.37 O ATOM 1352 H GLY B 51 126.588 51.541 22.900 1.00 0.00 H ATOM 1353 N GLY B 52 123.990 49.721 23.249 1.00 21.47 N ATOM 1354 CA GLY B 52 123.273 48.464 23.171 1.00 24.57 C ATOM 1355 C GLY B 52 122.006 48.589 22.341 1.00 21.49 C ATOM 1356 O GLY B 52 121.940 49.394 21.401 1.00 15.97 O ATOM 1357 H GLY B 52 124.272 50.194 22.367 1.00 0.00 H ATOM 1358 N PHE B 53 121.005 47.787 22.700 1.00 21.19 N ATOM 1359 CA PHE B 53 119.779 47.641 21.929 1.00 21.85 C ATOM 1360 C PHE B 53 118.570 48.125 22.721 1.00 22.13 C ATOM 1361 O PHE B 53 118.569 48.104 23.956 1.00 16.00 O ATOM 1362 CB PHE B 53 119.544 46.172 21.542 1.00 20.81 C ATOM 1363 CG PHE B 53 120.502 45.643 20.516 1.00 20.34 C ATOM 1364 CD1 PHE B 53 121.808 45.337 20.855 1.00 23.18 C ATOM 1365 CD2 PHE B 53 120.085 45.429 19.214 1.00 18.78 C ATOM 1366 CE1 PHE B 53 122.685 44.838 19.909 1.00 19.12 C ATOM 1367 CE2 PHE B 53 120.956 44.934 18.264 1.00 23.88 C ATOM 1368 CZ PHE B 53 122.260 44.639 18.612 1.00 20.57 C ATOM 1369 H PHE B 53 121.105 47.236 23.577 1.00 0.00 H ATOM 1370 N ILE B 54 117.530 48.548 21.993 1.00 17.85 N ATOM 1371 CA ILE B 54 116.207 48.786 22.560 1.00 16.94 C ATOM 1372 C ILE B 54 115.193 47.962 21.779 1.00 22.94 C ATOM 1373 O ILE B 54 115.388 47.655 20.598 1.00 17.90 O ATOM 1374 CB ILE B 54 115.799 50.279 22.548 1.00 16.63 C ATOM 1375 CG1 ILE B 54 115.780 50.839 21.121 1.00 16.36 C ATOM 1376 CG2 ILE B 54 116.720 51.088 23.441 1.00 23.75 C ATOM 1377 CD1 ILE B 54 115.143 52.212 21.016 1.00 21.16 C ATOM 1378 H ILE B 54 117.671 48.715 20.976 1.00 0.00 H ATOM 1379 N LYS B 55 114.099 47.609 22.450 1.00 15.21 N ATOM 1380 CA LYS B 55 112.979 46.933 21.810 1.00 14.15 C ATOM 1381 C LYS B 55 112.005 47.961 21.249 1.00 17.12 C ATOM 1382 O LYS B 55 111.678 48.951 21.910 1.00 15.89 O ATOM 1383 CB LYS B 55 112.258 46.020 22.803 1.00 21.10 C ATOM 1384 CG LYS B 55 111.102 45.239 22.187 1.00 35.57 C ATOM 1385 CD LYS B 55 110.771 43.973 22.971 1.00 45.68 C ATOM 1386 CE LYS B 55 109.551 44.156 23.861 1.00 57.76 C ATOM 1387 NZ LYS B 55 109.219 42.909 24.606 1.00 58.88 N ATOM 1388 HZ1 LYS B 55 109.019 42.145 23.929 1.00 0.00 H ATOM 1389 HZ2 LYS B 55 110.025 42.640 25.206 1.00 0.00 H ATOM 1390 HZ3 LYS B 55 108.382 43.074 25.201 1.00 0.00 H ATOM 1391 H LYS B 55 114.042 47.823 23.466 1.00 0.00 H ATOM 1392 N VAL B 56 111.542 47.717 20.021 1.00 18.32 N ATOM 1393 CA VAL B 56 110.632 48.625 19.336 1.00 15.72 C ATOM 1394 C VAL B 56 109.544 47.821 18.637 1.00 17.48 C ATOM 1395 O VAL B 56 109.647 46.606 18.460 1.00 16.76 O ATOM 1396 CB VAL B 56 111.358 49.526 18.309 1.00 17.33 C ATOM 1397 CG1 VAL B 56 112.432 50.357 18.992 1.00 16.83 C ATOM 1398 CG2 VAL B 56 111.959 48.689 17.183 1.00 17.75 C ATOM 1399 H VAL B 56 111.842 46.847 19.536 1.00 0.00 H ATOM 1400 N ARG B 57 108.491 48.527 18.237 1.00 20.83 N ATOM 1401 CA ARG B 57 107.396 47.954 17.467 1.00 21.03 C ATOM 1402 C ARG B 57 107.497 48.450 16.033 1.00 19.79 C ATOM 1403 O ARG B 57 107.563 49.661 15.794 1.00 18.94 O ATOM 1404 CB ARG B 57 106.045 48.332 18.077 1.00 19.50 C ATOM 1405 CG ARG B 57 105.919 47.957 19.544 1.00 27.47 C ATOM 1406 CD ARG B 57 104.496 48.100 20.064 1.00 34.10 C ATOM 1407 NE ARG B 57 103.961 49.449 19.912 1.00 31.11 N ATOM 1408 CZ ARG B 57 104.222 50.460 20.736 1.00 38.42 C ATOM 1409 NH1 ARG B 57 105.028 50.290 21.777 1.00 36.72 N ATOM 1410 NH2 ARG B 57 103.678 51.648 20.513 1.00 39.41 N ATOM 1411 HE ARG B 57 103.333 49.633 19.104 1.00 0.00 H ATOM 1412 HH12 ARG B 57 105.227 51.086 22.416 1.00 0.00 H ATOM 1413 HH11 ARG B 57 105.461 49.361 21.953 1.00 0.00 H ATOM 1414 HH22 ARG B 57 103.880 52.441 21.155 1.00 0.00 H ATOM 1415 HH21 ARG B 57 103.050 51.787 19.696 1.00 0.00 H ATOM 1416 H ARG B 57 108.447 49.536 18.486 1.00 0.00 H ATOM 1417 N GLN B 58 107.523 47.520 15.084 1.00 21.74 N ATOM 1418 CA GLN B 58 107.693 47.848 13.675 1.00 23.07 C ATOM 1419 C GLN B 58 106.330 47.929 13.002 1.00 30.79 C ATOM 1420 O GLN B 58 105.613 46.927 12.920 1.00 23.09 O ATOM 1421 CB GLN B 58 108.572 46.815 12.970 1.00 21.41 C ATOM 1422 CG GLN B 58 108.574 46.953 11.452 1.00 23.87 C ATOM 1423 CD GLN B 58 109.520 45.992 10.767 1.00 35.15 C ATOM 1424 OE1 GLN B 58 110.382 45.385 11.403 1.00 30.55 O ATOM 1425 NE2 GLN B 58 109.362 45.848 9.455 1.00 36.06 N ATOM 1426 HE22 GLN B 58 108.620 46.382 8.959 1.00 0.00 H ATOM 1427 HE21 GLN B 58 109.981 45.202 8.925 1.00 0.00 H ATOM 1428 H GLN B 58 107.418 46.522 15.357 1.00 0.00 H ATOM 1429 N TYR B 59 105.984 49.120 12.522 1.00 25.62 N ATOM 1430 CA TYR B 59 104.816 49.335 11.682 1.00 25.67 C ATOM 1431 C TYR B 59 105.278 49.567 10.250 1.00 31.65 C ATOM 1432 O TYR B 59 106.288 50.240 10.017 1.00 26.98 O ATOM 1433 CB TYR B 59 103.993 50.535 12.162 1.00 23.83 C ATOM 1434 CG TYR B 59 103.420 50.402 13.557 1.00 28.26 C ATOM 1435 CD1 TYR B 59 104.184 50.701 14.675 1.00 27.92 C ATOM 1436 CD2 TYR B 59 102.106 49.998 13.753 1.00 32.47 C ATOM 1437 CE1 TYR B 59 103.662 50.589 15.950 1.00 25.18 C ATOM 1438 CE2 TYR B 59 101.574 49.882 15.023 1.00 25.68 C ATOM 1439 CZ TYR B 59 102.356 50.180 16.119 1.00 35.02 C ATOM 1440 OH TYR B 59 101.833 50.067 17.386 1.00 31.00 O ATOM 1441 HH TYR B 59 102.523 50.317 18.050 1.00 0.00 H ATOM 1442 H TYR B 59 106.579 49.939 12.759 1.00 0.00 H ATOM 1443 N ASP B 60 104.542 49.010 9.295 1.00 26.60 N ATOM 1444 CA ASP B 60 104.878 49.133 7.886 1.00 26.52 C ATOM 1445 C ASP B 60 103.851 49.997 7.164 1.00 24.63 C ATOM 1446 O ASP B 60 102.697 50.123 7.585 1.00 30.47 O ATOM 1447 CB ASP B 60 104.960 47.757 7.218 1.00 36.90 C ATOM 1448 CG ASP B 60 105.960 46.841 7.894 1.00 41.84 C ATOM 1449 OD1 ASP B 60 107.072 47.307 8.220 1.00 38.75 O ATOM 1450 OD2 ASP B 60 105.631 45.655 8.101 1.00 37.12 O ATOM 1451 H ASP B 60 103.697 48.467 9.564 1.00 0.00 H ATOM 1452 N GLN B 61 104.296 50.594 6.062 1.00 32.34 N ATOM 1453 CA GLN B 61 103.445 51.419 5.207 1.00 31.35 C ATOM 1454 C GLN B 61 102.749 52.521 6.003 1.00 29.04 C ATOM 1455 O GLN B 61 101.546 52.757 5.873 1.00 26.96 O ATOM 1456 CB GLN B 61 102.428 50.554 4.462 1.00 35.34 C ATOM 1457 CG GLN B 61 103.072 49.537 3.531 1.00 29.37 C ATOM 1458 CD GLN B 61 104.067 50.173 2.581 1.00 41.47 C ATOM 1459 OE1 GLN B 61 105.238 49.796 2.545 1.00 55.99 O ATOM 1460 NE2 GLN B 61 103.605 51.150 1.809 1.00 43.78 N ATOM 1461 HE22 GLN B 61 102.607 51.436 1.873 1.00 0.00 H ATOM 1462 HE21 GLN B 61 104.241 51.629 1.140 1.00 0.00 H ATOM 1463 H GLN B 61 105.294 50.468 5.797 1.00 0.00 H ATOM 1464 N ILE B 62 103.529 53.210 6.827 1.00 28.09 N ATOM 1465 CA ILE B 62 103.060 54.380 7.561 1.00 33.88 C ATOM 1466 C ILE B 62 103.358 55.622 6.738 1.00 30.30 C ATOM 1467 O ILE B 62 104.461 55.776 6.204 1.00 35.26 O ATOM 1468 CB ILE B 62 103.732 54.463 8.944 1.00 31.22 C ATOM 1469 CG1 ILE B 62 103.418 53.213 9.771 1.00 28.36 C ATOM 1470 CG2 ILE B 62 103.303 55.732 9.673 1.00 31.71 C ATOM 1471 CD1 ILE B 62 101.944 53.021 10.091 1.00 29.26 C ATOM 1472 H ILE B 62 104.514 52.903 6.954 1.00 0.00 H ATOM 1473 N LEU B 63 102.384 56.523 6.651 1.00 30.90 N ATOM 1474 CA LEU B 63 102.533 57.756 5.889 1.00 36.52 C ATOM 1475 C LEU B 63 103.113 58.842 6.789 1.00 21.70 C ATOM 1476 O LEU B 63 102.567 59.126 7.861 1.00 30.51 O ATOM 1477 CB LEU B 63 101.187 58.193 5.309 1.00 31.36 C ATOM 1478 H LEU B 63 101.486 56.342 7.143 1.00 0.00 H ATOM 1479 N ILE B 64 104.220 59.443 6.357 1.00 31.79 N ATOM 1480 CA ILE B 64 104.866 60.526 7.090 1.00 29.98 C ATOM 1481 C ILE B 64 105.095 61.684 6.133 1.00 31.51 C ATOM 1482 O ILE B 64 105.463 61.479 4.972 1.00 33.35 O ATOM 1483 CB ILE B 64 106.203 60.088 7.727 1.00 31.32 C ATOM 1484 CG1 ILE B 64 105.973 58.977 8.756 1.00 33.24 C ATOM 1485 CG2 ILE B 64 106.896 61.290 8.370 1.00 31.53 C ATOM 1486 CD1 ILE B 64 107.201 58.623 9.578 1.00 32.52 C ATOM 1487 H ILE B 64 104.641 59.127 5.460 1.00 0.00 H ATOM 1488 N GLU B 65 104.890 62.901 6.628 1.00 24.86 N ATOM 1489 CA GLU B 65 105.200 64.116 5.889 1.00 27.29 C ATOM 1490 C GLU B 65 106.353 64.834 6.576 1.00 26.76 C ATOM 1491 O GLU B 65 106.284 65.120 7.775 1.00 27.49 O ATOM 1492 CB GLU B 65 103.979 65.032 5.800 1.00 25.01 C ATOM 1493 CG GLU B 65 104.148 66.184 4.825 1.00 29.35 C ATOM 1494 CD GLU B 65 102.883 67.006 4.666 1.00 30.36 C ATOM 1495 OE1 GLU B 65 101.854 66.433 4.255 1.00 29.34 O ATOM 1496 OE2 GLU B 65 102.919 68.219 4.957 1.00 30.47 O ATOM 1497 H GLU B 65 104.491 62.988 7.584 1.00 0.00 H ATOM 1498 N ILE B 66 107.403 65.124 5.810 1.00 25.77 N ATOM 1499 CA ILE B 66 108.636 65.718 6.318 1.00 28.78 C ATOM 1500 C ILE B 66 108.888 66.979 5.503 1.00 32.01 C ATOM 1501 O ILE B 66 109.258 66.897 4.325 1.00 31.05 O ATOM 1502 CB ILE B 66 109.828 64.755 6.213 1.00 30.24 C ATOM 1503 CG1 ILE B 66 109.518 63.423 6.901 1.00 33.38 C ATOM 1504 CG2 ILE B 66 111.083 65.373 6.822 1.00 30.07 C ATOM 1505 CD1 ILE B 66 110.333 62.268 6.362 1.00 31.36 C ATOM 1506 H ILE B 66 107.341 64.916 4.793 1.00 0.00 H ATOM 1507 N CYS B 67 108.696 68.141 6.123 1.00 36.66 N ATOM 1508 CA CYS B 67 108.846 69.425 5.440 1.00 25.86 C ATOM 1509 C CYS B 67 108.026 69.457 4.153 1.00 32.72 C ATOM 1510 O CYS B 67 108.509 69.847 3.089 1.00 36.73 O ATOM 1511 CB CYS B 67 110.317 69.724 5.140 1.00 41.81 C ATOM 1512 SG CYS B 67 111.385 69.861 6.562 1.00 41.16 S ATOM 1513 H CYS B 67 108.430 68.135 7.128 1.00 0.00 H ATOM 1514 N GLY B 68 106.768 69.031 4.252 1.00 36.98 N ATOM 1515 CA GLY B 68 105.893 69.016 3.098 1.00 35.41 C ATOM 1516 C GLY B 68 106.204 67.951 2.070 1.00 32.04 C ATOM 1517 O GLY B 68 105.498 67.871 1.057 1.00 38.46 O ATOM 1518 H GLY B 68 106.409 68.704 5.172 1.00 0.00 H ATOM 1519 N HIS B 69 107.236 67.140 2.286 1.00 29.39 N ATOM 1520 CA HIS B 69 107.566 66.026 1.406 1.00 24.50 C ATOM 1521 C HIS B 69 106.951 64.760 1.988 1.00 31.79 C ATOM 1522 O HIS B 69 107.278 64.368 3.113 1.00 30.69 O ATOM 1523 CB HIS B 69 109.080 65.865 1.256 1.00 34.11 C ATOM 1524 CG HIS B 69 109.748 67.000 0.542 1.00 31.33 C ATOM 1525 ND1 HIS B 69 109.786 68.280 1.049 1.00 28.56 N ATOM 1526 CD2 HIS B 69 110.415 67.043 -0.636 1.00 27.19 C ATOM 1527 CE1 HIS B 69 110.443 69.064 0.214 1.00 24.39 C ATOM 1528 NE2 HIS B 69 110.836 68.338 -0.817 1.00 28.73 N ATOM 1529 H HIS B 69 107.834 67.308 3.120 1.00 0.00 H ATOM 1530 N LYS B 70 106.067 64.126 1.227 1.00 32.03 N ATOM 1531 CA LYS B 70 105.372 62.942 1.704 1.00 31.43 C ATOM 1532 C LYS B 70 106.207 61.694 1.460 1.00 25.63 C ATOM 1533 O LYS B 70 106.955 61.597 0.484 1.00 29.17 O ATOM 1534 CB LYS B 70 104.010 62.789 1.026 1.00 27.55 C ATOM 1535 CG LYS B 70 102.995 63.853 1.423 1.00 36.19 C ATOM 1536 CD LYS B 70 101.635 63.599 0.788 1.00 38.45 C ATOM 1537 CE LYS B 70 100.612 64.641 1.205 1.00 34.22 C ATOM 1538 NZ LYS B 70 101.083 66.032 0.963 1.00 47.77 N ATOM 1539 HZ1 LYS B 70 101.953 66.202 1.507 1.00 0.00 H ATOM 1540 HZ2 LYS B 70 101.276 66.160 -0.051 1.00 0.00 H ATOM 1541 HZ3 LYS B 70 100.348 66.703 1.265 1.00 0.00 H ATOM 1542 H LYS B 70 105.868 64.484 0.271 1.00 0.00 H ATOM 1543 N ALA B 71 106.072 60.737 2.372 1.00 28.82 N ATOM 1544 CA ALA B 71 106.726 59.445 2.249 1.00 28.43 C ATOM 1545 C ALA B 71 105.847 58.406 2.924 1.00 34.02 C ATOM 1546 O ALA B 71 104.888 58.732 3.628 1.00 38.32 O ATOM 1547 CB ALA B 71 108.128 59.455 2.866 1.00 30.87 C ATOM 1548 H ALA B 71 105.476 60.919 3.205 1.00 0.00 H ATOM 1549 N ILE B 72 106.182 57.141 2.699 1.00 28.34 N ATOM 1550 CA ILE B 72 105.433 56.038 3.289 1.00 29.29 C ATOM 1551 C ILE B 72 106.359 54.838 3.388 1.00 19.99 C ATOM 1552 O ILE B 72 106.978 54.435 2.399 1.00 26.35 O ATOM 1553 CB ILE B 72 104.163 55.706 2.478 1.00 35.57 C ATOM 1554 CG1 ILE B 72 103.432 54.506 3.090 1.00 39.94 C ATOM 1555 CG2 ILE B 72 104.511 55.448 1.017 1.00 35.54 C ATOM 1556 CD1 ILE B 72 101.992 54.386 2.640 1.00 35.75 C ATOM 1557 H ILE B 72 106.997 56.932 2.088 1.00 0.00 H ATOM 1558 N GLY B 73 106.462 54.276 4.583 1.00 29.26 N ATOM 1559 CA GLY B 73 107.361 53.161 4.794 1.00 25.59 C ATOM 1560 C GLY B 73 107.369 52.743 6.244 1.00 19.20 C ATOM 1561 O GLY B 73 106.454 53.060 7.006 1.00 24.16 O ATOM 1562 H GLY B 73 105.893 54.638 5.375 1.00 0.00 H ATOM 1563 N THR B 74 108.431 52.037 6.619 1.00 19.55 N ATOM 1564 CA THR B 74 108.517 51.457 7.952 1.00 22.12 C ATOM 1565 C THR B 74 108.804 52.534 8.989 1.00 21.93 C ATOM 1566 O THR B 74 109.680 53.382 8.797 1.00 24.41 O ATOM 1567 CB THR B 74 109.609 50.387 7.989 1.00 28.19 C ATOM 1568 OG1 THR B 74 109.260 49.318 7.101 1.00 31.32 O ATOM 1569 CG2 THR B 74 109.785 49.833 9.401 1.00 29.58 C ATOM 1570 HG1 THR B 74 108.399 48.922 7.386 1.00 0.00 H ATOM 1571 H THR B 74 109.214 51.896 5.949 1.00 0.00 H ATOM 1572 N VAL B 75 108.064 52.491 10.095 1.00 21.76 N ATOM 1573 CA VAL B 75 108.315 53.343 11.250 1.00 19.28 C ATOM 1574 C VAL B 75 108.410 52.444 12.472 1.00 20.71 C ATOM 1575 O VAL B 75 107.479 51.682 12.761 1.00 20.78 O ATOM 1576 CB VAL B 75 107.217 54.402 11.442 1.00 24.70 C ATOM 1577 CG1 VAL B 75 107.484 55.238 12.692 1.00 25.84 C ATOM 1578 CG2 VAL B 75 107.129 55.285 10.216 1.00 28.29 C ATOM 1579 H VAL B 75 107.271 51.819 10.136 1.00 0.00 H ATOM 1580 N LEU B 76 109.530 52.527 13.182 1.00 16.83 N ATOM 1581 CA LEU B 76 109.709 51.805 14.431 1.00 19.06 C ATOM 1582 C LEU B 76 109.335 52.716 15.592 1.00 23.27 C ATOM 1583 O LEU B 76 109.668 53.905 15.597 1.00 22.29 O ATOM 1584 CB LEU B 76 111.154 51.325 14.575 1.00 18.01 C ATOM 1585 CG LEU B 76 111.743 50.583 13.371 1.00 15.83 C ATOM 1586 CD1 LEU B 76 113.198 50.219 13.624 1.00 22.51 C ATOM 1587 CD2 LEU B 76 110.938 49.336 13.037 1.00 21.28 C ATOM 1588 H LEU B 76 110.304 53.128 12.833 1.00 0.00 H ATOM 1589 N VAL B 77 108.628 52.158 16.571 1.00 16.19 N ATOM 1590 CA VAL B 77 108.143 52.915 17.719 1.00 14.57 C ATOM 1591 C VAL B 77 108.633 52.234 18.986 1.00 18.91 C ATOM 1592 O VAL B 77 108.473 51.019 19.146 1.00 17.13 O ATOM 1593 CB VAL B 77 106.606 53.032 17.718 1.00 21.26 C ATOM 1594 CG1 VAL B 77 106.117 53.770 18.962 1.00 26.78 C ATOM 1595 CG2 VAL B 77 106.139 53.745 16.460 1.00 20.42 C ATOM 1596 H VAL B 77 108.413 51.142 16.515 1.00 0.00 H ATOM 1597 N GLY B 78 109.223 53.016 19.885 1.00 21.32 N ATOM 1598 CA GLY B 78 109.773 52.484 21.108 1.00 21.16 C ATOM 1599 C GLY B 78 110.353 53.565 21.994 1.00 24.10 C ATOM 1600 O GLY B 78 110.271 54.760 21.693 1.00 24.11 O ATOM 1601 H GLY B 78 109.290 54.038 19.702 1.00 0.00 H ATOM 1602 N PRO B 79 110.956 53.159 23.114 1.00 23.26 N ATOM 1603 CA PRO B 79 111.522 54.113 24.087 1.00 24.35 C ATOM 1604 C PRO B 79 112.836 54.728 23.612 1.00 26.54 C ATOM 1605 O PRO B 79 113.876 54.634 24.270 1.00 28.46 O ATOM 1606 CB PRO B 79 111.700 53.234 25.332 1.00 24.69 C ATOM 1607 CG PRO B 79 111.978 51.881 24.777 1.00 22.42 C ATOM 1608 CD PRO B 79 111.092 51.764 23.569 1.00 23.67 C ATOM 1609 N THR B 80 112.795 55.369 22.455 1.00 22.38 N ATOM 1610 CA THR B 80 114.000 56.004 21.939 1.00 25.09 C ATOM 1611 C THR B 80 114.181 57.379 22.583 1.00 21.53 C ATOM 1612 O THR B 80 113.205 58.110 22.770 1.00 21.72 O ATOM 1613 CB THR B 80 113.935 56.149 20.417 1.00 23.30 C ATOM 1614 OG1 THR B 80 115.092 56.856 19.955 1.00 23.24 O ATOM 1615 CG2 THR B 80 112.681 56.904 19.987 1.00 21.93 C ATOM 1616 HG1 THR B 80 115.049 56.949 18.970 1.00 0.00 H ATOM 1617 H THR B 80 111.907 55.419 21.917 1.00 0.00 H ATOM 1618 N PRO B 81 115.411 57.755 22.949 1.00 23.64 N ATOM 1619 CA PRO B 81 115.626 59.102 23.501 1.00 27.06 C ATOM 1620 C PRO B 81 115.398 60.221 22.497 1.00 28.66 C ATOM 1621 O PRO B 81 115.303 61.382 22.912 1.00 26.98 O ATOM 1622 CB PRO B 81 117.088 59.064 23.967 1.00 31.37 C ATOM 1623 CG PRO B 81 117.717 57.982 23.159 1.00 28.09 C ATOM 1624 CD PRO B 81 116.649 56.956 22.951 1.00 22.21 C ATOM 1625 N VAL B 82 115.308 59.917 21.201 1.00 26.48 N ATOM 1626 CA VAL B 82 115.171 60.938 20.167 1.00 28.08 C ATOM 1627 C VAL B 82 114.430 60.340 18.978 1.00 20.33 C ATOM 1628 O VAL B 82 114.584 59.159 18.656 1.00 19.08 O ATOM 1629 CB VAL B 82 116.552 61.491 19.733 1.00 32.61 C ATOM 1630 CG1 VAL B 82 116.414 62.421 18.542 1.00 37.47 C ATOM 1631 CG2 VAL B 82 117.233 62.228 20.880 1.00 36.32 C ATOM 1632 H VAL B 82 115.336 58.917 20.917 1.00 0.00 H ATOM 1633 N ASN B 83 113.627 61.175 18.319 1.00 21.35 N ATOM 1634 CA ASN B 83 112.990 60.803 17.062 1.00 24.41 C ATOM 1635 C ASN B 83 113.976 61.000 15.919 1.00 24.44 C ATOM 1636 O ASN B 83 114.564 62.078 15.782 1.00 14.92 O ATOM 1637 CB ASN B 83 111.743 61.653 16.822 1.00 20.41 C ATOM 1638 CG ASN B 83 110.705 61.496 17.913 1.00 32.51 C ATOM 1639 OD1 ASN B 83 110.609 60.452 18.556 1.00 31.25 O ATOM 1640 ND2 ASN B 83 109.915 62.539 18.124 1.00 24.33 N ATOM 1641 HD22 ASN B 83 110.031 63.403 17.556 1.00 0.00 H ATOM 1642 HD21 ASN B 83 109.179 62.494 18.857 1.00 0.00 H ATOM 1643 H ASN B 83 113.450 62.121 18.714 1.00 0.00 H ATOM 1644 N VAL B 84 114.153 59.969 15.093 1.00 15.28 N ATOM 1645 CA VAL B 84 115.074 60.036 13.966 1.00 19.80 C ATOM 1646 C VAL B 84 114.368 59.556 12.707 1.00 18.53 C ATOM 1647 O VAL B 84 113.717 58.503 12.708 1.00 16.41 O ATOM 1648 CB VAL B 84 116.357 59.216 14.213 1.00 17.96 C ATOM 1649 CG1 VAL B 84 117.100 59.763 15.423 1.00 17.13 C ATOM 1650 CG2 VAL B 84 116.045 57.727 14.392 1.00 23.17 C ATOM 1651 H VAL B 84 113.619 59.092 15.258 1.00 0.00 H ATOM 1652 N ILE B 85 114.489 60.338 11.642 1.00 12.93 N ATOM 1653 CA ILE B 85 114.095 59.910 10.308 1.00 14.03 C ATOM 1654 C ILE B 85 115.289 59.196 9.688 1.00 15.89 C ATOM 1655 O ILE B 85 116.355 59.796 9.507 1.00 14.69 O ATOM 1656 CB ILE B 85 113.652 61.103 9.449 1.00 14.45 C ATOM 1657 CG1 ILE B 85 112.563 61.909 10.168 1.00 15.77 C ATOM 1658 CG2 ILE B 85 113.177 60.632 8.081 1.00 18.97 C ATOM 1659 CD1 ILE B 85 111.326 61.114 10.524 1.00 23.77 C ATOM 1660 H ILE B 85 114.880 61.294 11.765 1.00 0.00 H ATOM 1661 N GLY B 86 115.117 57.912 9.372 1.00 13.54 N ATOM 1662 CA GLY B 86 116.192 57.096 8.858 1.00 14.36 C ATOM 1663 C GLY B 86 116.211 57.043 7.338 1.00 13.34 C ATOM 1664 O GLY B 86 115.377 57.620 6.647 1.00 14.95 O ATOM 1665 H GLY B 86 114.178 57.484 9.500 1.00 0.00 H ATOM 1666 N ARG B 87 117.199 56.308 6.824 1.00 12.24 N ATOM 1667 CA ARG B 87 117.424 56.274 5.383 1.00 13.47 C ATOM 1668 C ARG B 87 116.203 55.754 4.634 1.00 17.02 C ATOM 1669 O ARG B 87 115.923 56.198 3.514 1.00 19.22 O ATOM 1670 CB ARG B 87 118.655 55.423 5.067 1.00 14.66 C ATOM 1671 CG ARG B 87 119.949 56.033 5.574 1.00 17.37 C ATOM 1672 CD ARG B 87 121.175 55.298 5.053 1.00 18.85 C ATOM 1673 NE ARG B 87 121.270 53.941 5.585 1.00 19.58 N ATOM 1674 CZ ARG B 87 120.916 52.834 4.933 1.00 21.25 C ATOM 1675 NH1 ARG B 87 120.438 52.891 3.695 1.00 18.10 N ATOM 1676 NH2 ARG B 87 121.047 51.655 5.525 1.00 18.59 N ATOM 1677 HE ARG B 87 121.644 53.830 6.549 1.00 0.00 H ATOM 1678 HH12 ARG B 87 120.167 52.017 3.202 1.00 0.00 H ATOM 1679 HH11 ARG B 87 120.335 53.810 3.219 1.00 0.00 H ATOM 1680 HH22 ARG B 87 120.773 50.787 5.022 1.00 0.00 H ATOM 1681 HH21 ARG B 87 121.424 51.598 6.493 1.00 0.00 H ATOM 1682 H ARG B 87 117.813 55.755 7.455 1.00 0.00 H ATOM 1683 N ASN B 88 115.454 54.821 5.233 1.00 15.11 N ATOM 1684 CA ASN B 88 114.325 54.231 4.518 1.00 15.22 C ATOM 1685 C ASN B 88 113.327 55.291 4.067 1.00 21.02 C ATOM 1686 O ASN B 88 112.629 55.098 3.066 1.00 21.88 O ATOM 1687 CB ASN B 88 113.623 53.177 5.383 1.00 16.81 C ATOM 1688 CG ASN B 88 112.820 53.783 6.517 1.00 20.44 C ATOM 1689 OD1 ASN B 88 113.323 54.596 7.290 1.00 20.83 O ATOM 1690 ND2 ASN B 88 111.558 53.383 6.622 1.00 21.44 N ATOM 1691 HD22 ASN B 88 111.173 52.693 5.946 1.00 0.00 H ATOM 1692 HD21 ASN B 88 110.954 53.760 7.381 1.00 0.00 H ATOM 1693 H ASN B 88 115.675 54.517 6.203 1.00 0.00 H ATOM 1694 N LEU B 89 113.246 56.416 4.780 1.00 17.64 N ATOM 1695 CA LEU B 89 112.374 57.512 4.372 1.00 17.77 C ATOM 1696 C LEU B 89 113.128 58.708 3.805 1.00 19.97 C ATOM 1697 O LEU B 89 112.554 59.463 3.013 1.00 18.62 O ATOM 1698 CB LEU B 89 111.510 57.979 5.552 1.00 19.20 C ATOM 1699 CG LEU B 89 110.609 56.910 6.187 1.00 22.25 C ATOM 1700 CD1 LEU B 89 109.732 57.519 7.268 1.00 23.13 C ATOM 1701 CD2 LEU B 89 109.741 56.206 5.147 1.00 23.40 C ATOM 1702 H LEU B 89 113.816 56.513 5.644 1.00 0.00 H ATOM 1703 N LEU B 90 114.396 58.905 4.177 1.00 16.06 N ATOM 1704 CA LEU B 90 115.155 60.021 3.616 1.00 16.75 C ATOM 1705 C LEU B 90 115.332 59.862 2.110 1.00 19.45 C ATOM 1706 O LEU B 90 115.323 60.852 1.368 1.00 18.78 O ATOM 1707 CB LEU B 90 116.518 60.144 4.300 1.00 14.26 C ATOM 1708 CG LEU B 90 116.544 60.486 5.791 1.00 13.36 C ATOM 1709 CD1 LEU B 90 117.950 60.291 6.342 1.00 17.86 C ATOM 1710 CD2 LEU B 90 116.072 61.912 6.053 1.00 15.98 C ATOM 1711 H LEU B 90 114.842 58.265 4.865 1.00 0.00 H ATOM 1712 N THR B 91 115.508 58.625 1.640 1.00 18.98 N ATOM 1713 CA THR B 91 115.562 58.383 0.201 1.00 21.18 C ATOM 1714 C THR B 91 114.288 58.860 -0.481 1.00 25.43 C ATOM 1715 O THR B 91 114.334 59.420 -1.583 1.00 30.82 O ATOM 1716 CB THR B 91 115.772 56.895 -0.084 1.00 24.15 C ATOM 1717 OG1 THR B 91 114.726 56.137 0.538 1.00 20.79 O ATOM 1718 CG2 THR B 91 117.122 56.422 0.428 1.00 20.18 C ATOM 1719 HG1 THR B 91 114.744 56.292 1.516 1.00 0.00 H ATOM 1720 H THR B 91 115.607 57.829 2.302 1.00 0.00 H ATOM 1721 N GLN B 92 113.138 58.643 0.160 1.00 25.87 N ATOM 1722 CA GLN B 92 111.851 58.936 -0.455 1.00 22.11 C ATOM 1723 C GLN B 92 111.567 60.428 -0.566 1.00 34.47 C ATOM 1724 O GLN B 92 110.643 60.808 -1.295 1.00 27.71 O ATOM 1725 CB GLN B 92 110.736 58.255 0.338 1.00 23.87 C ATOM 1726 CG GLN B 92 110.833 56.742 0.326 1.00 25.47 C ATOM 1727 CD GLN B 92 109.670 56.074 1.020 1.00 28.49 C ATOM 1728 OE1 GLN B 92 108.535 56.544 0.946 1.00 27.96 O ATOM 1729 NE2 GLN B 92 109.947 54.970 1.707 1.00 27.63 N ATOM 1730 HE22 GLN B 92 110.922 54.610 1.741 1.00 0.00 H ATOM 1731 HE21 GLN B 92 109.189 54.467 2.210 1.00 0.00 H ATOM 1732 H GLN B 92 113.161 58.254 1.124 1.00 0.00 H ATOM 1733 N ILE B 93 112.319 61.276 0.134 1.00 24.95 N ATOM 1734 CA ILE B 93 112.181 62.722 0.015 1.00 24.03 C ATOM 1735 C ILE B 93 113.336 63.335 -0.767 1.00 23.78 C ATOM 1736 O ILE B 93 113.441 64.564 -0.849 1.00 34.13 O ATOM 1737 CB ILE B 93 112.031 63.388 1.395 1.00 27.08 C ATOM 1738 CG1 ILE B 93 113.283 63.186 2.256 1.00 26.31 C ATOM 1739 CG2 ILE B 93 110.803 62.834 2.109 1.00 26.03 C ATOM 1740 CD1 ILE B 93 113.275 64.013 3.540 1.00 25.32 C ATOM 1741 H ILE B 93 113.030 60.892 0.789 1.00 0.00 H ATOM 1742 N GLY B 94 114.206 62.510 -1.346 1.00 26.61 N ATOM 1743 CA GLY B 94 115.296 63.010 -2.160 1.00 31.72 C ATOM 1744 C GLY B 94 116.451 63.595 -1.384 1.00 31.95 C ATOM 1745 O GLY B 94 117.186 64.426 -1.924 1.00 25.30 O ATOM 1746 H GLY B 94 114.101 61.484 -1.211 1.00 0.00 H ATOM 1747 N CYS B 95 116.643 63.180 -0.135 1.00 27.68 N ATOM 1748 CA CYS B 95 117.669 63.767 0.715 1.00 23.10 C ATOM 1749 C CYS B 95 119.038 63.185 0.389 1.00 26.62 C ATOM 1750 O CYS B 95 119.198 61.964 0.291 1.00 26.80 O ATOM 1751 CB CYS B 95 117.330 63.529 2.186 1.00 28.71 C ATOM 1752 SG CYS B 95 118.460 64.333 3.334 1.00 21.37 S ATOM 1753 H CYS B 95 116.046 62.418 0.244 1.00 0.00 H ATOM 1754 N THR B 96 120.025 64.066 0.228 1.00 18.71 N ATOM 1755 CA THR B 96 121.397 63.668 -0.047 1.00 18.97 C ATOM 1756 C THR B 96 122.345 64.336 0.939 1.00 17.32 C ATOM 1757 O THR B 96 122.028 65.362 1.544 1.00 18.79 O ATOM 1758 CB THR B 96 121.826 64.043 -1.474 1.00 23.45 C ATOM 1759 OG1 THR B 96 121.619 65.445 -1.688 1.00 20.03 O ATOM 1760 CG2 THR B 96 121.039 63.255 -2.505 1.00 24.10 C ATOM 1761 HG1 THR B 96 120.660 65.658 -1.566 1.00 0.00 H ATOM 1762 H THR B 96 119.805 65.080 0.302 1.00 0.00 H ATOM 1763 N LEU B 97 123.518 63.726 1.096 1.00 21.09 N ATOM 1764 CA LEU B 97 124.657 64.375 1.730 1.00 19.43 C ATOM 1765 C LEU B 97 125.512 65.030 0.654 1.00 23.49 C ATOM 1766 O LEU B 97 125.686 64.475 -0.434 1.00 24.28 O ATOM 1767 CB LEU B 97 125.498 63.368 2.517 1.00 19.48 C ATOM 1768 CG LEU B 97 124.945 62.841 3.841 1.00 21.14 C ATOM 1769 CD1 LEU B 97 125.742 61.625 4.276 1.00 23.21 C ATOM 1770 CD2 LEU B 97 125.005 63.922 4.900 1.00 17.25 C ATOM 1771 H LEU B 97 123.625 62.750 0.753 1.00 0.00 H ATOM 1772 N ASN B 98 126.045 66.213 0.958 1.00 24.08 N ATOM 1773 CA ASN B 98 126.816 66.968 -0.023 1.00 25.69 C ATOM 1774 C ASN B 98 127.993 67.663 0.640 1.00 22.56 C ATOM 1775 O ASN B 98 127.816 68.388 1.623 1.00 18.49 O ATOM 1776 CB ASN B 98 125.942 68.011 -0.728 1.00 26.17 C ATOM 1777 CG ASN B 98 124.830 67.387 -1.535 1.00 23.57 C ATOM 1778 OD1 ASN B 98 124.999 67.103 -2.721 1.00 27.36 O ATOM 1779 ND2 ASN B 98 123.681 67.171 -0.899 1.00 23.48 N ATOM 1780 HD22 ASN B 98 123.586 67.428 0.104 1.00 0.00 H ATOM 1781 HD21 ASN B 98 122.878 66.745 -1.405 1.00 0.00 H ATOM 1782 H ASN B 98 125.909 66.605 1.912 1.00 0.00 H ATOM 1783 N PHE B 99 129.185 67.443 0.093 1.00 23.97 N ATOM 1784 CA PHE B 99 130.368 68.210 0.470 1.00 22.72 C ATOM 1785 C PHE B 99 131.385 68.200 -0.669 1.00 30.89 C ATOM 1786 O PHE B 99 132.452 68.808 -0.577 1.00 26.59 O ATOM 1787 CB PHE B 99 130.996 67.662 1.755 1.00 23.69 C ATOM 1788 CG PHE B 99 131.401 66.211 1.680 1.00 18.36 C ATOM 1789 CD1 PHE B 99 130.477 65.204 1.906 1.00 22.29 C ATOM 1790 CD2 PHE B 99 132.713 65.856 1.410 1.00 21.96 C ATOM 1791 CE1 PHE B 99 130.851 63.874 1.846 1.00 25.45 C ATOM 1792 CE2 PHE B 99 133.093 64.528 1.350 1.00 25.64 C ATOM 1793 CZ PHE B 99 132.161 63.536 1.568 1.00 27.90 C ATOM 1794 OXT PHE B 99 131.156 67.586 -1.713 1.00 24.80 O ATOM 1795 H PHE B 99 129.277 66.699 -0.628 1.00 0.00 H TER 1796 PHE B 99 HETATM 1797 O HOH 1 116.579 48.030 7.765 1.00 46.64 O HETATM 1798 O HOH 2 133.110 70.444 0.868 1.00 31.30 O HETATM 1799 O HOH 3 108.476 62.463 -1.075 1.00 32.92 O HETATM 1800 O HOH 4 98.803 61.808 9.645 1.00 42.89 O HETATM 1801 O HOH 5 112.897 45.446 10.364 1.00 37.90 O HETATM 1802 O HOH 6 92.277 50.182 14.396 1.00 47.68 O HETATM 1803 O HOH 7 103.599 44.702 7.061 1.00 44.75 O HETATM 1804 O HOH 8 123.159 52.738 9.494 1.00 31.31 O HETATM 1805 O HOH 9 119.433 65.832 -2.874 1.00 24.58 O HETATM 1806 O HOH 10 100.400 58.493 9.448 1.00 33.26 O HETATM 1807 O HOH 11 123.182 74.444 11.378 1.00 19.14 O HETATM 1808 O HOH 12 120.973 71.318 11.458 1.00 17.23 O HETATM 1809 O HOH 13 101.794 52.715 24.567 1.00 34.17 O HETATM 1810 O HOH 14 123.074 76.453 3.702 1.00 38.08 O HETATM 1811 O HOH 15 122.775 54.579 7.871 1.00 20.08 O HETATM 1812 O HOH 16 113.398 66.171 -2.987 1.00 34.87 O HETATM 1813 O HOH 17 118.408 71.804 16.147 1.00 24.84 O HETATM 1814 O HOH 18 134.090 68.808 -2.735 1.00 45.02 O HETATM 1815 O HOH 19 98.791 41.145 14.953 1.00 32.59 O HETATM 1816 O HOH 20 112.641 47.287 9.747 1.00 33.09 O HETATM 1817 O HOH 21 119.450 49.386 26.241 1.00 30.86 O HETATM 1818 O HOH 22 102.324 47.590 10.206 1.00 31.44 O HETATM 1819 O HOH 23 118.873 44.238 14.718 1.00 33.19 O HETATM 1820 O HOH 24 116.183 65.130 -4.440 1.00 20.84 O HETATM 1821 O HOH 25 105.599 64.619 -1.489 1.00 23.23 O HETATM 1822 O HOH 26 109.630 39.762 15.215 1.00 26.48 O HETATM 1823 O HOH 27 110.790 72.543 12.929 1.00 46.52 O HETATM 1824 O HOH 28 118.885 59.517 -1.076 1.00 20.09 O HETATM 1825 O HOH 29 118.730 50.667 3.375 1.00 44.50 O HETATM 1826 O HOH 30 120.968 75.187 8.017 1.00 31.53 O HETATM 1827 O HOH 31 120.408 47.122 14.789 1.00 25.03 O HETATM 1828 O HOH 32 110.588 71.719 10.045 1.00 23.90 O HETATM 1829 O HOH 33 116.891 71.317 10.409 1.00 32.46 O HETATM 1830 O HOH 34 112.031 52.692 1.616 1.00 46.17 O HETATM 1831 O HOH 35 108.500 65.886 19.023 1.00 32.21 O HETATM 1832 O HOH 36 112.526 49.713 5.795 1.00 35.76 O HETATM 1833 O HOH 37 106.856 49.800 4.996 1.00 28.86 O HETATM 1834 O HOH 38 110.412 51.553 4.568 1.00 24.97 O HETATM 1835 O HOH 39 114.043 48.230 25.275 1.00 21.29 O HETATM 1836 O HOH 40 109.013 48.242 22.806 1.00 45.00 O HETATM 1837 O HOH 41 121.271 52.172 11.721 1.00 18.07 O HETATM 1838 O HOH 42 125.196 72.296 -2.070 1.00 43.28 O HETATM 1839 O HOH 43 101.493 62.295 7.155 1.00 36.02 O HETATM 1840 O HOH 44 117.150 45.626 9.694 1.00 39.41 O HETATM 1841 O HOH 45 128.801 72.925 15.828 1.00 37.36 O HETATM 1842 O HOH 46 97.801 67.152 15.607 1.00 33.41 O HETATM 1843 O HOH 47 121.873 50.245 13.623 1.00 29.61 O HETATM 1844 O HOH 48 117.551 51.511 4.945 1.00 27.37 O HETATM 1845 O HOH 49 99.997 67.552 16.729 1.00 32.05 O HETATM 1846 O HOH 50 100.212 43.104 15.809 1.00 32.78 O HETATM 1847 O HOH 51 121.091 46.367 25.412 1.00 38.31 O HETATM 1848 O HOH 52 118.116 76.268 1.090 1.00 48.11 O HETATM 1849 O HOH 53 95.702 61.227 15.940 1.00 35.91 O HETATM 1850 O HOH 54 117.410 66.589 19.950 1.00 33.25 O HETATM 1851 O HOH 55 121.516 71.296 18.457 1.00 30.12 O HETATM 1852 O HOH 56 108.269 45.252 26.554 1.00 47.01 O HETATM 1853 O HOH 57 110.135 57.478 23.642 1.00 39.64 O HETATM 1854 O HOH 58 117.997 50.516 26.208 1.00 42.08 O HETATM 1855 O HOH 59 100.973 63.230 4.880 1.00 43.11 O HETATM 1856 O HOH 60 112.421 59.892 -4.484 1.00 43.31 O HETATM 1857 O HOH 61 118.806 72.717 11.536 1.00 22.81 O HETATM 1858 O HOH 62 128.237 77.118 6.377 1.00 31.09 O HETATM 1859 O HOH 63 123.076 46.485 15.425 1.00 29.68 O HETATM 1860 O HOH 64 111.215 57.670 -3.725 1.00 42.97 O HETATM 1861 O HOH 65 126.001 77.626 4.130 1.00 45.57 O HETATM 1862 O HOH 66 128.034 71.188 -1.409 1.00 34.52 O HETATM 1863 O HOH 67 126.089 46.208 24.901 1.00 39.62 O HETATM 1864 O HOH 68 118.350 43.242 12.968 1.00 51.08 O HETATM 1865 O HOH 69 119.374 71.887 18.920 1.00 43.91 O HETATM 1866 O HOH 70 114.947 65.885 19.772 1.00 36.42 O HETATM 1867 O HOH 71 144.784 47.982 12.961 1.00 48.18 O HETATM 1868 O HOH 72 138.354 70.290 5.117 1.00 34.98 O HETATM 1869 O HOH 73 145.065 63.212 29.342 1.00 53.69 O HETATM 1870 O HOH 74 141.158 71.497 15.487 1.00 22.78 O HETATM 1871 O HOH 75 134.607 70.656 15.133 1.00 21.25 O HETATM 1872 O HOH 76 146.701 59.901 9.446 1.00 46.84 O HETATM 1873 O HOH 77 117.860 53.906 25.706 1.00 29.19 O HETATM 1874 O HOH 78 146.334 63.915 14.707 1.00 26.33 O HETATM 1875 O HOH 79 125.125 55.959 0.749 1.00 22.44 O HETATM 1876 O HOH 80 144.760 61.620 8.554 1.00 40.92 O HETATM 1877 O HOH 81 145.770 61.385 12.980 1.00 26.73 O HETATM 1878 O HOH 82 123.148 55.199 19.093 1.00 16.97 O HETATM 1879 O HOH 83 139.562 68.729 18.984 1.00 23.57 O HETATM 1880 O HOH 84 138.134 51.875 14.192 1.00 31.92 O HETATM 1881 O HOH 85 129.088 67.477 21.422 1.00 33.59 O HETATM 1882 O HOH 86 129.375 53.694 0.782 1.00 42.43 O HETATM 1883 O HOH 87 137.514 48.878 13.774 1.00 41.52 O HETATM 1884 O HOH 88 122.238 64.232 17.616 1.00 13.80 O HETATM 1885 O HOH 89 128.960 68.514 17.556 1.00 19.90 O HETATM 1886 O HOH 90 135.767 48.644 19.651 1.00 21.01 O HETATM 1887 O HOH 91 122.020 56.553 -6.186 1.00 28.71 O HETATM 1888 O HOH 92 121.189 51.157 28.977 1.00 37.67 O HETATM 1889 O HOH 93 127.112 70.575 17.423 1.00 36.09 O HETATM 1890 O HOH 94 116.687 49.134 11.872 1.00 23.61 O HETATM 1891 O HOH 95 127.860 50.264 22.396 1.00 22.87 O HETATM 1892 O HOH 96 131.989 62.453 29.790 1.00 34.86 O HETATM 1893 O HOH 97 128.434 59.376 -4.559 1.00 43.55 O HETATM 1894 O HOH 98 121.476 68.586 -5.461 1.00 38.42 O HETATM 1895 O HOH 99 128.698 45.978 14.502 1.00 31.60 O HETATM 1896 O HOH 100 127.151 51.170 2.010 1.00 28.80 O HETATM 1897 O HOH 101 133.279 47.868 18.419 1.00 22.99 O HETATM 1898 O HOH 102 139.190 52.625 0.346 1.00 37.55 O HETATM 1899 O HOH 103 133.017 50.441 11.626 1.00 25.24 O HETATM 1900 O HOH 104 131.882 46.674 13.652 1.00 35.76 O HETATM 1901 O HOH 105 127.351 71.955 7.879 1.00 17.70 O HETATM 1902 O HOH 106 122.587 65.553 15.225 1.00 15.51 O HETATM 1903 O HOH 107 126.175 61.576 24.998 1.00 38.08 O HETATM 1904 O HOH 108 133.760 63.617 18.815 1.00 19.10 O HETATM 1905 O HOH 109 133.459 50.489 9.855 1.00 41.79 O HETATM 1906 O HOH 110 135.769 68.627 17.287 1.00 16.77 O HETATM 1907 O HOH 111 142.810 72.339 5.186 1.00 36.94 O HETATM 1908 O HOH 112 119.105 52.387 27.625 1.00 43.53 O HETATM 1909 O HOH 113 123.055 55.197 -2.013 1.00 26.29 O HETATM 1910 O HOH 114 131.318 51.111 28.619 1.00 25.33 O HETATM 1911 O HOH 115 130.878 71.922 0.804 1.00 36.83 O HETATM 1912 O HOH 116 143.495 66.469 8.725 1.00 29.71 O HETATM 1913 O HOH 117 119.888 72.530 -1.723 1.00 28.88 O HETATM 1914 O HOH 118 127.598 71.621 1.107 1.00 28.13 O HETATM 1915 O HOH 119 138.209 52.965 24.749 1.00 43.33 O HETATM 1916 O HOH 120 121.807 48.523 27.163 1.00 31.50 O HETATM 1917 O HOH 121 125.729 58.115 -3.905 1.00 30.09 O HETATM 1918 O HOH 122 131.043 72.209 14.715 1.00 31.56 O HETATM 1919 O HOH 123 131.502 50.018 8.193 1.00 41.44 O HETATM 1920 O HOH 124 136.955 57.372 0.771 1.00 41.75 O HETATM 1921 O HOH 125 122.917 60.938 24.864 1.00 40.25 O HETATM 1922 O HOH 126 146.037 71.965 22.596 1.00 47.78 O HETATM 1923 O HOH 127 117.444 52.168 2.240 1.00 40.31 O HETATM 1924 O HOH 128 126.670 65.052 22.758 1.00 36.76 O HETATM 1925 O HOH 129 129.463 73.412 7.562 1.00 57.80 O HETATM 1926 O HOH 130 124.475 49.373 3.295 1.00 33.76 O HETATM 1927 O HOH 131 125.868 48.139 12.567 1.00 27.44 O HETATM 1928 O HOH 132 123.442 47.736 13.043 1.00 38.38 O HETATM 1929 O HOH 133 118.257 70.659 -2.871 1.00 33.34 O HETATM 1930 O HOH 134 145.637 70.011 2.046 1.00 35.88 O HETATM 1931 O HOH 135 135.263 56.875 0.108 1.00 25.09 O HETATM 1932 O HOH 136 133.759 66.023 -5.355 1.00 37.08 O HETATM 1933 O HOH 137 128.832 73.894 1.838 1.00 47.89 O HETATM 1934 O HOH 138 128.380 74.152 3.599 1.00 45.39 O HETATM 1935 O HOH 139 127.745 55.282 -0.243 1.00 31.09 O HETATM 1936 O HOH 140 133.040 65.597 23.030 1.00 38.23 O HETATM 1937 O HOH 141 149.068 60.482 8.212 1.00 32.61 O HETATM 1938 O HOH 142 135.365 65.818 -3.817 1.00 39.05 O HETATM 1939 O HOH 143 133.255 67.574 23.817 1.00 51.68 O HETATM 1940 O HOH 144 119.128 68.317 -4.402 1.00 22.34 O HETATM 1941 O HOH 145 129.894 51.039 0.804 1.00 36.38 O HETATM 1942 O HOH 146 138.102 52.829 27.296 1.00 46.46 O HETATM 1943 O HOH 147 133.226 72.616 16.111 1.00 28.05 O HETATM 1944 O HOH 148 128.050 74.170 5.996 1.00 44.20 O HETATM 1945 N1 K A 13 116.882 51.795 12.636 1.00 -0.34 N HETATM 1946 C2 K A 13 117.825 52.435 13.526 1.00 0.04 C HETATM 1947 C3 K A 13 117.661 53.910 13.851 1.00 -0.04 C HETATM 1948 C4 K A 13 118.636 54.601 14.785 1.00 -0.05 C HETATM 1949 C5 K A 13 119.772 53.802 15.405 1.00 0.09 C HETATM 1950 C6 K A 13 119.954 52.326 15.082 1.00 -0.05 C HETATM 1951 C7 K A 13 118.971 51.643 14.144 1.00 -0.04 C HETATM 1952 H6 K A 13 119.086 50.590 13.914 1.00 0.05 H HETATM 1953 H5 K A 13 120.775 51.767 15.516 1.00 0.06 H HETATM 1954 S8 K A 13 120.925 54.662 16.494 1.00 0.06 S HETATM 1955 O9 K A 13 120.277 55.751 17.227 1.00 -0.15 O HETATM 1956 O10 K A 13 121.452 53.820 17.567 1.00 -0.15 O HETATM 1957 N11 K A 13 122.157 55.231 15.457 1.00 -0.23 N HETATM 1958 C12 K A 13 122.814 54.178 14.696 1.00 0.03 C HETATM 1959 C13 K A 13 124.292 54.471 14.460 1.00 -0.03 C HETATM 1960 C14 K A 13 125.028 54.532 15.798 1.00 -0.06 C HETATM 1961 H10 K A 13 126.093 54.743 15.621 1.00 0.02 H HETATM 1962 H11 K A 13 124.927 53.567 16.316 1.00 0.02 H HETATM 1963 H12 K A 13 124.594 55.329 16.419 1.00 0.02 H HETATM 1964 C15 K A 13 124.872 53.370 13.564 1.00 -0.05 C HETATM 1965 C18 K A 13 125.083 52.057 14.325 1.00 -0.07 C HETATM 1966 H18 K A 13 125.499 51.301 13.643 1.00 0.02 H HETATM 1967 H19 K A 13 124.119 51.704 14.721 1.00 0.02 H HETATM 1968 H20 K A 13 125.782 52.224 15.158 1.00 0.02 H HETATM 1969 H13 K A 13 125.840 53.709 13.167 1.00 0.03 H HETATM 1970 H14 K A 13 124.177 53.189 12.730 1.00 0.03 H HETATM 1971 H9 K A 13 124.395 55.441 13.952 1.00 0.03 H HETATM 1972 H7 K A 13 122.313 54.080 13.722 1.00 0.05 H HETATM 1973 H8 K A 13 122.725 53.232 15.251 1.00 0.05 H HETATM 1974 C16 K A 13 121.842 56.464 14.756 1.00 0.06 C HETATM 1975 C17 K A 13 122.771 57.587 15.219 1.00 0.10 C HETATM 1976 O18 K A 13 122.598 58.709 14.397 1.00 -0.39 O HETATM 1977 H21 K A 13 122.805 58.477 13.499 1.00 0.21 H HETATM 1978 C19 K A 13 122.457 57.968 16.663 1.00 0.08 C HETATM 1979 N20 K A 13 123.478 58.901 17.083 1.00 -0.26 N HETATM 1980 C21 K A 13 124.443 58.597 18.114 1.00 0.32 C HETATM 1981 O22 K A 13 124.427 57.564 18.698 1.00 -0.38 O HETATM 1982 O23 K A 13 125.387 59.593 18.368 1.00 -0.26 O HETATM 1983 C24 K A 13 126.246 59.505 19.595 1.00 0.12 C HETATM 1984 C25 K A 13 127.399 59.904 19.252 1.00 0.08 C HETATM 1985 O26 K A 13 127.245 61.539 19.199 1.00 -0.35 O HETATM 1986 C27 K A 13 126.442 61.867 20.156 1.00 0.16 C HETATM 1987 O28 K A 13 125.243 62.759 19.652 1.00 -0.35 O HETATM 1988 C29 K A 13 124.177 61.991 19.646 1.00 0.05 C HETATM 1989 C30 K A 13 124.485 60.761 20.664 1.00 -0.02 C HETATM 1990 C31 K A 13 125.813 60.557 20.652 1.00 0.04 C HETATM 1991 H32 K A 13 126.169 60.277 21.654 1.00 0.04 H HETATM 1992 H30 K A 13 123.962 59.854 20.328 1.00 0.03 H HETATM 1993 H31 K A 13 124.153 61.021 21.680 1.00 0.03 H HETATM 1994 H28 K A 13 123.992 61.607 18.632 1.00 0.06 H HETATM 1995 H29 K A 13 123.299 62.557 19.990 1.00 0.06 H HETATM 1996 H27 K A 13 126.992 62.382 20.957 1.00 0.09 H HETATM 1997 H25 K A 13 127.675 59.504 18.265 1.00 0.06 H HETATM 1998 H26 K A 13 128.154 59.605 19.994 1.00 0.06 H HETATM 1999 H24 K A 13 126.250 58.485 20.007 1.00 0.07 H HETATM 2000 H23 K A 13 123.518 59.797 16.640 1.00 0.19 H HETATM 2001 C32 K A 13 121.116 58.697 16.774 1.00 0.01 C HETATM 2002 C38 K A 13 120.898 59.142 18.221 1.00 -0.04 C HETATM 2003 C33 K A 13 120.639 58.099 19.306 1.00 -0.06 C HETATM 2004 C34 K A 13 120.422 58.534 20.755 1.00 -0.07 C HETATM 2005 C35 K A 13 120.463 60.015 21.120 1.00 -0.07 C HETATM 2006 C36 K A 13 120.719 61.062 20.039 1.00 -0.07 C HETATM 2007 C37 K A 13 120.937 60.624 18.590 1.00 -0.06 C HETATM 2008 H39 K A 13 121.120 61.367 17.823 1.00 0.06 H HETATM 2009 H38 K A 13 120.746 62.114 20.298 1.00 0.06 H HETATM 2010 H37 K A 13 120.310 60.324 22.148 1.00 0.06 H HETATM 2011 H36 K A 13 120.239 57.791 21.523 1.00 0.06 H HETATM 2012 H35 K A 13 120.609 57.047 19.048 1.00 0.06 H HETATM 2013 H33 K A 13 120.304 58.019 16.472 1.00 0.04 H HETATM 2014 H34 K A 13 121.122 59.578 16.116 1.00 0.04 H HETATM 2015 H22 K A 13 122.454 57.071 17.299 1.00 0.06 H HETATM 2016 H17 K A 13 123.814 57.244 15.153 1.00 0.06 H HETATM 2017 H15 K A 13 120.799 56.745 14.966 1.00 0.05 H HETATM 2018 H16 K A 13 121.969 56.310 13.674 1.00 0.05 H HETATM 2019 H4 K A 13 118.524 55.656 15.009 1.00 0.06 H HETATM 2020 H3 K A 13 116.843 54.471 13.413 1.00 0.05 H HETATM 2021 H1 K A 13 116.111 52.340 12.224 1.00 0.17 H HETATM 2022 H2 K A 13 116.981 50.794 12.414 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 887 888 893 894 895 CONECT 894 887 CONECT 895 887 CONECT 1945 1946 2021 2022 CONECT 1946 1945 1947 1951 CONECT 1947 1946 1948 2020 CONECT 1948 1947 1949 2019 CONECT 1949 1948 1950 1954 CONECT 1950 1949 1951 1953 CONECT 1951 1946 1950 1952 CONECT 1952 1951 CONECT 1953 1950 CONECT 1954 1949 1955 1956 1957 CONECT 1955 1954 CONECT 1956 1954 CONECT 1957 1954 1958 1974 CONECT 1958 1957 1959 1972 1973 CONECT 1959 1958 1960 1964 1971 CONECT 1960 1959 1961 1962 1963 CONECT 1961 1960 CONECT 1962 1960 CONECT 1963 1960 CONECT 1964 1959 1965 1969 1970 CONECT 1965 1964 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 CONECT 1969 1964 CONECT 1970 1964 CONECT 1971 1959 CONECT 1972 1958 CONECT 1973 1958 CONECT 1974 1957 1975 2017 2018 CONECT 1975 1974 1976 1978 2016 CONECT 1976 1975 1977 CONECT 1977 1976 CONECT 1978 1975 1979 2001 2015 CONECT 1979 1978 1980 2000 CONECT 1980 1979 1981 1982 CONECT 1981 1980 CONECT 1982 1980 1983 CONECT 1983 1982 1984 1990 1999 CONECT 1984 1983 1985 1997 1998 CONECT 1985 1984 1986 CONECT 1986 1985 1987 1990 1996 CONECT 1987 1986 1988 CONECT 1988 1987 1989 1994 1995 CONECT 1989 1988 1990 1992 1993 CONECT 1990 1983 1986 1989 1991 CONECT 1991 1990 CONECT 1992 1989 CONECT 1993 1989 CONECT 1994 1988 CONECT 1995 1988 CONECT 1996 1986 CONECT 1997 1984 CONECT 1998 1984 CONECT 1999 1983 CONECT 2000 1979 CONECT 2001 1978 2002 2013 2014 CONECT 2002 2001 2003 2007 CONECT 2003 2002 2004 2012 CONECT 2004 2003 2005 2011 CONECT 2005 2004 2006 2010 CONECT 2006 2005 2007 2009 CONECT 2007 2002 2006 2008 CONECT 2008 2007 CONECT 2009 2006 CONECT 2010 2005 CONECT 2011 2004 CONECT 2012 2003 CONECT 2013 2001 CONECT 2014 2001 CONECT 2015 1978 CONECT 2016 1975 CONECT 2017 1974 CONECT 2018 1974 CONECT 2019 1948 CONECT 2020 1947 CONECT 2021 1945 CONECT 2022 1945 MASTER 0 0 0 0 0 0 0 0 2020 2 84 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6dh1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o99
RCSB PDB
PDBbind
K13
6dgy
RCSB PDB
PDBbind
K13
6dh4
RCSB PDB
PDBbind
K13
6dh7
RCSB PDB
PDBbind
K13
Entry Information
PDB ID
6dh1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease I84V Mutant
Ligand Name
K13
EC.Number
E.C.-.-.-.-
Resolution
1.97(Å)
Affinity (Kd/Ki/IC50)
Ki=26.1pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
8
H
3
9
N
3
O
7
S
Molecular Weight
561.690
Exact Mass
561.251
No. of atoms
78
No. of bonds
81
Polar Surface Area
148.8
LOGP Value
3.30 (
Computed with XLOGP3
)
4.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7ZCI0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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