Browse entries in the PDBbind-CN Database
HEADER 6G2F_COMPLEX COMPND 6G2F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 77 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 77 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 77 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 77 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 77 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU SEQRES 1 A 43 GLN LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA SEQRES 2 A 43 GLN TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU SEQRES 3 A 43 LYS MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE SEQRES 4 A 43 ILE TYR ILE ASP HET EHW A 213 39 ATOM 1 N VAL A 266 -23.750 3.371 -7.064 1.00 51.62 N ATOM 2 CA VAL A 266 -22.920 4.515 -7.472 1.00 48.26 C ATOM 3 C VAL A 266 -22.135 5.054 -6.244 1.00 53.13 C ATOM 4 O VAL A 266 -22.734 5.559 -5.289 1.00 56.67 O ATOM 5 CB VAL A 266 -23.749 5.611 -8.200 1.00 51.09 C ATOM 6 CG1 VAL A 266 -22.846 6.687 -8.790 1.00 47.65 C ATOM 7 CG2 VAL A 266 -24.645 5.010 -9.286 1.00 51.55 C ATOM 8 HN3 VAL A 266 -24.421 3.676 -6.330 1.00 0.00 H ATOM 9 HN2 VAL A 266 -23.140 2.619 -6.686 1.00 0.00 H ATOM 10 HN1 VAL A 266 -24.274 3.013 -7.888 1.00 0.00 H ATOM 11 N LYS A 267 -20.804 4.891 -6.273 1.00 46.01 N ATOM 12 CA LYS A 267 -19.843 5.258 -5.229 1.00 45.27 C ATOM 13 C LYS A 267 -19.207 6.641 -5.465 1.00 43.07 C ATOM 14 O LYS A 267 -18.710 7.263 -4.519 1.00 42.79 O ATOM 15 CB LYS A 267 -18.730 4.187 -5.182 1.00 49.07 C ATOM 16 CG LYS A 267 -17.929 4.138 -3.885 1.00 74.42 C ATOM 17 CD LYS A 267 -16.736 3.197 -4.005 1.00 86.64 C ATOM 18 CE LYS A 267 -15.822 3.276 -2.806 1.00 99.06 C ATOM 19 NZ LYS A 267 -14.642 2.383 -2.955 1.00107.52 N ATOM 20 HZ1 LYS A 267 -14.964 1.399 -3.058 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -14.102 2.662 -3.799 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -14.038 2.465 -2.112 1.00 0.00 H ATOM 23 H LYS A 267 -20.410 4.456 -7.132 1.00 0.00 H ATOM 24 N PHE A 268 -19.182 7.103 -6.720 1.00 35.39 N ATOM 25 CA PHE A 268 -18.558 8.386 -7.054 1.00 32.05 C ATOM 26 C PHE A 268 -19.487 9.297 -7.809 1.00 35.49 C ATOM 27 O PHE A 268 -20.355 8.829 -8.537 1.00 35.71 O ATOM 28 CB PHE A 268 -17.254 8.193 -7.857 1.00 31.23 C ATOM 29 CG PHE A 268 -16.216 7.368 -7.136 1.00 32.42 C ATOM 30 CD1 PHE A 268 -15.524 7.888 -6.044 1.00 35.21 C ATOM 31 CD2 PHE A 268 -15.946 6.063 -7.530 1.00 34.58 C ATOM 32 CE1 PHE A 268 -14.581 7.109 -5.354 1.00 37.28 C ATOM 33 CE2 PHE A 268 -15.015 5.281 -6.831 1.00 38.20 C ATOM 34 CZ PHE A 268 -14.329 5.814 -5.756 1.00 36.15 C ATOM 35 H PHE A 268 -19.616 6.538 -7.477 1.00 0.00 H ATOM 36 N GLN A 269 -19.286 10.609 -7.656 1.00 31.58 N ATOM 37 CA GLN A 269 -20.093 11.605 -8.345 1.00 31.98 C ATOM 38 C GLN A 269 -19.197 12.569 -9.098 1.00 32.36 C ATOM 39 O GLN A 269 -17.980 12.570 -8.883 1.00 29.89 O ATOM 40 CB GLN A 269 -21.061 12.306 -7.388 1.00 35.99 C ATOM 41 CG GLN A 269 -20.438 13.196 -6.332 1.00 53.07 C ATOM 42 CD GLN A 269 -21.502 13.770 -5.420 1.00 71.71 C ATOM 43 OE1 GLN A 269 -21.372 13.743 -4.202 1.00 65.47 O ATOM 44 NE2 GLN A 269 -22.573 14.316 -5.980 1.00 69.60 N ATOM 45 HE22 GLN A 269 -22.668 14.331 -7.016 1.00 0.00 H ATOM 46 HE21 GLN A 269 -23.318 14.729 -5.384 1.00 0.00 H ATOM 47 H GLN A 269 -18.526 10.930 -7.022 1.00 0.00 H ATOM 48 N VAL A 270 -19.783 13.365 -10.002 1.00 29.26 N ATOM 49 CA VAL A 270 -19.027 14.349 -10.793 1.00 26.63 C ATOM 50 C VAL A 270 -18.242 15.255 -9.855 1.00 29.69 C ATOM 51 O VAL A 270 -18.795 15.727 -8.862 1.00 30.62 O ATOM 52 CB VAL A 270 -19.985 15.153 -11.728 1.00 30.43 C ATOM 53 CG1 VAL A 270 -19.289 16.371 -12.350 1.00 29.98 C ATOM 54 CG2 VAL A 270 -20.560 14.249 -12.820 1.00 29.49 C ATOM 55 H VAL A 270 -20.809 13.285 -10.150 1.00 0.00 H ATOM 56 N GLY A 271 -16.968 15.491 -10.178 1.00 26.36 N ATOM 57 CA GLY A 271 -16.102 16.344 -9.370 1.00 26.28 C ATOM 58 C GLY A 271 -15.276 15.592 -8.337 1.00 28.18 C ATOM 59 O GLY A 271 -14.331 16.156 -7.784 1.00 28.51 O ATOM 60 H GLY A 271 -16.579 15.051 -11.036 1.00 0.00 H ATOM 61 N ASP A 272 -15.623 14.319 -8.049 1.00 26.70 N ATOM 62 CA ASP A 272 -14.827 13.545 -7.082 1.00 26.14 C ATOM 63 C ASP A 272 -13.406 13.332 -7.621 1.00 27.21 C ATOM 64 O ASP A 272 -13.240 13.102 -8.822 1.00 27.04 O ATOM 65 CB ASP A 272 -15.470 12.189 -6.789 1.00 28.10 C ATOM 66 CG ASP A 272 -16.643 12.246 -5.816 1.00 33.71 C ATOM 67 OD1 ASP A 272 -16.776 13.260 -5.095 1.00 37.09 O ATOM 68 OD2 ASP A 272 -17.406 11.273 -5.758 1.00 33.53 O ATOM 69 H ASP A 272 -16.450 13.887 -8.509 1.00 0.00 H ATOM 70 N LEU A 273 -12.401 13.375 -6.729 1.00 23.76 N ATOM 71 CA LEU A 273 -11.011 13.118 -7.114 1.00 22.82 C ATOM 72 C LEU A 273 -10.763 11.640 -6.873 1.00 26.37 C ATOM 73 O LEU A 273 -11.099 11.106 -5.811 1.00 25.77 O ATOM 74 CB LEU A 273 -10.030 13.970 -6.299 1.00 24.10 C ATOM 75 CG LEU A 273 -10.111 15.476 -6.526 1.00 28.13 C ATOM 76 CD1 LEU A 273 -9.149 16.189 -5.618 1.00 29.14 C ATOM 77 CD2 LEU A 273 -9.845 15.837 -7.986 1.00 30.42 C ATOM 78 H LEU A 273 -12.617 13.597 -5.736 1.00 0.00 H ATOM 79 N VAL A 274 -10.212 10.985 -7.875 1.00 22.53 N ATOM 80 CA VAL A 274 -9.946 9.548 -7.828 1.00 22.67 C ATOM 81 C VAL A 274 -8.601 9.213 -8.444 1.00 26.33 C ATOM 82 O VAL A 274 -8.043 9.988 -9.226 1.00 26.11 O ATOM 83 CB VAL A 274 -11.065 8.725 -8.536 1.00 25.02 C ATOM 84 CG1 VAL A 274 -12.432 8.914 -7.877 1.00 25.07 C ATOM 85 CG2 VAL A 274 -11.121 9.007 -10.058 1.00 23.37 C ATOM 86 H VAL A 274 -9.956 11.512 -8.734 1.00 0.00 H ATOM 87 N TRP A 275 -8.093 8.049 -8.098 1.00 24.19 N ATOM 88 CA TRP A 275 -6.931 7.468 -8.743 1.00 23.99 C ATOM 89 C TRP A 275 -7.555 6.453 -9.712 1.00 28.57 C ATOM 90 O TRP A 275 -8.495 5.727 -9.319 1.00 28.24 O ATOM 91 CB TRP A 275 -6.081 6.658 -7.759 1.00 24.40 C ATOM 92 CG TRP A 275 -5.340 7.422 -6.719 1.00 25.64 C ATOM 93 CD1 TRP A 275 -5.707 7.601 -5.419 1.00 29.44 C ATOM 94 CD2 TRP A 275 -4.026 7.977 -6.851 1.00 25.84 C ATOM 95 NE1 TRP A 275 -4.705 8.247 -4.732 1.00 30.42 N ATOM 96 CE2 TRP A 275 -3.636 8.434 -5.571 1.00 30.68 C ATOM 97 CE3 TRP A 275 -3.086 8.024 -7.903 1.00 26.35 C ATOM 98 CZ2 TRP A 275 -2.395 9.036 -5.337 1.00 30.40 C ATOM 99 CZ3 TRP A 275 -1.844 8.616 -7.665 1.00 28.00 C ATOM 100 CH2 TRP A 275 -1.510 9.104 -6.393 1.00 29.51 C ATOM 101 HE1 TRP A 275 -4.751 8.545 -3.737 1.00 0.00 H ATOM 102 H TRP A 275 -8.546 7.521 -7.325 1.00 0.00 H ATOM 103 N SER A 276 -7.036 6.365 -10.952 1.00 24.70 N ATOM 104 CA SER A 276 -7.513 5.350 -11.915 1.00 22.81 C ATOM 105 C SER A 276 -6.295 4.569 -12.420 1.00 26.40 C ATOM 106 O SER A 276 -5.258 5.180 -12.699 1.00 27.07 O ATOM 107 CB SER A 276 -8.195 6.007 -13.112 1.00 24.87 C ATOM 108 OG SER A 276 -9.283 6.829 -12.710 1.00 28.32 O ATOM 109 HG SER A 276 -9.700 7.237 -13.510 1.00 0.00 H ATOM 110 H SER A 276 -6.284 7.025 -11.238 1.00 0.00 H ATOM 111 N LYS A 277 -6.443 3.247 -12.573 1.00 25.95 N ATOM 112 CA LYS A 277 -5.410 2.334 -13.079 1.00 26.88 C ATOM 113 C LYS A 277 -5.919 1.846 -14.423 1.00 31.85 C ATOM 114 O LYS A 277 -6.853 1.047 -14.484 1.00 31.66 O ATOM 115 CB LYS A 277 -5.167 1.177 -12.088 1.00 29.87 C ATOM 116 CG LYS A 277 -4.017 0.233 -12.464 1.00 38.70 C ATOM 117 CD LYS A 277 -2.612 0.817 -12.203 1.00 43.65 C ATOM 118 CE LYS A 277 -1.490 -0.184 -12.464 1.00 49.80 C ATOM 119 NZ LYS A 277 -1.330 -0.484 -13.919 1.00 52.77 N ATOM 120 HZ1 LYS A 277 -2.215 -0.886 -14.288 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -1.107 0.394 -14.430 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.557 -1.168 -14.048 1.00 0.00 H ATOM 123 H LYS A 277 -7.362 2.834 -12.313 1.00 0.00 H ATOM 124 N VAL A 278 -5.364 2.395 -15.500 1.00 29.69 N ATOM 125 CA VAL A 278 -5.826 2.140 -16.862 1.00 30.04 C ATOM 126 C VAL A 278 -4.680 1.653 -17.735 1.00 36.67 C ATOM 127 O VAL A 278 -3.651 2.325 -17.827 1.00 35.58 O ATOM 128 CB VAL A 278 -6.473 3.435 -17.447 1.00 33.68 C ATOM 129 CG1 VAL A 278 -6.871 3.285 -18.925 1.00 34.79 C ATOM 130 CG2 VAL A 278 -7.658 3.911 -16.600 1.00 32.01 C ATOM 131 H VAL A 278 -4.559 3.040 -15.365 1.00 0.00 H ATOM 132 N GLY A 279 -4.913 0.538 -18.428 1.00 35.09 N ATOM 133 CA GLY A 279 -3.961 -0.042 -19.374 1.00 36.65 C ATOM 134 C GLY A 279 -2.612 -0.360 -18.769 1.00 38.30 C ATOM 135 O GLY A 279 -2.537 -0.987 -17.711 1.00 38.87 O ATOM 136 H GLY A 279 -5.823 0.054 -18.288 1.00 0.00 H ATOM 137 N THR A 280 -1.540 0.119 -19.419 1.00 33.18 N ATOM 138 CA THR A 280 -0.160 -0.135 -18.995 1.00 33.39 C ATOM 139 C THR A 280 0.367 0.958 -18.071 1.00 35.22 C ATOM 140 O THR A 280 1.536 0.929 -17.689 1.00 35.34 O ATOM 141 CB THR A 280 0.760 -0.286 -20.227 1.00 39.95 C ATOM 142 OG1 THR A 280 0.809 0.965 -20.928 1.00 37.65 O ATOM 143 CG2 THR A 280 0.332 -1.412 -21.155 1.00 35.86 C ATOM 144 HG1 THR A 280 1.167 1.665 -20.327 1.00 0.00 H ATOM 145 H THR A 280 -1.696 0.700 -20.267 1.00 0.00 H ATOM 146 N TYR A 281 -0.490 1.918 -17.697 1.00 31.33 N ATOM 147 CA TYR A 281 -0.058 3.058 -16.910 1.00 30.21 C ATOM 148 C TYR A 281 -0.226 2.892 -15.395 1.00 32.75 C ATOM 149 O TYR A 281 -1.080 2.124 -14.949 1.00 31.74 O ATOM 150 CB TYR A 281 -0.766 4.315 -17.418 1.00 30.30 C ATOM 151 CG TYR A 281 -0.476 4.587 -18.880 1.00 33.38 C ATOM 152 CD1 TYR A 281 0.749 5.115 -19.282 1.00 36.69 C ATOM 153 CD2 TYR A 281 -1.418 4.298 -19.862 1.00 34.47 C ATOM 154 CE1 TYR A 281 1.020 5.366 -20.628 1.00 40.15 C ATOM 155 CE2 TYR A 281 -1.169 4.572 -21.206 1.00 36.92 C ATOM 156 CZ TYR A 281 0.055 5.092 -21.585 1.00 45.20 C ATOM 157 OH TYR A 281 0.299 5.346 -22.913 1.00 53.37 O ATOM 158 HH TYR A 281 1.213 5.713 -23.015 1.00 0.00 H ATOM 159 H TYR A 281 -1.489 1.844 -17.978 1.00 0.00 H ATOM 160 N PRO A 282 0.610 3.589 -14.590 1.00 30.17 N ATOM 161 CA PRO A 282 0.475 3.489 -13.129 1.00 30.38 C ATOM 162 C PRO A 282 -0.784 4.189 -12.613 1.00 29.80 C ATOM 163 O PRO A 282 -1.426 4.934 -13.370 1.00 26.67 O ATOM 164 CB PRO A 282 1.747 4.197 -12.617 1.00 33.59 C ATOM 165 CG PRO A 282 2.044 5.208 -13.654 1.00 37.74 C ATOM 166 CD PRO A 282 1.659 4.569 -14.967 1.00 32.73 C ATOM 167 N TRP A 283 -1.148 3.944 -11.334 1.00 27.64 N ATOM 168 CA TRP A 283 -2.298 4.622 -10.707 1.00 27.00 C ATOM 169 C TRP A 283 -2.130 6.121 -10.977 1.00 28.40 C ATOM 170 O TRP A 283 -1.065 6.685 -10.710 1.00 28.69 O ATOM 171 CB TRP A 283 -2.316 4.355 -9.197 1.00 26.94 C ATOM 172 CG TRP A 283 -2.807 2.988 -8.832 1.00 29.27 C ATOM 173 CD1 TRP A 283 -2.052 1.892 -8.528 1.00 33.90 C ATOM 174 CD2 TRP A 283 -4.178 2.578 -8.722 1.00 28.67 C ATOM 175 NE1 TRP A 283 -2.869 0.817 -8.248 1.00 33.88 N ATOM 176 CE2 TRP A 283 -4.179 1.209 -8.365 1.00 34.14 C ATOM 177 CE3 TRP A 283 -5.408 3.224 -8.937 1.00 29.12 C ATOM 178 CZ2 TRP A 283 -5.363 0.495 -8.140 1.00 33.59 C ATOM 179 CZ3 TRP A 283 -6.584 2.508 -8.755 1.00 31.24 C ATOM 180 CH2 TRP A 283 -6.557 1.161 -8.357 1.00 33.26 C ATOM 181 HE1 TRP A 283 -2.545 -0.137 -7.990 1.00 0.00 H ATOM 182 H TRP A 283 -0.601 3.257 -10.776 1.00 0.00 H ATOM 183 N TRP A 284 -3.152 6.744 -11.576 1.00 25.44 N ATOM 184 CA TRP A 284 -3.043 8.130 -12.042 1.00 24.56 C ATOM 185 C TRP A 284 -4.112 9.047 -11.466 1.00 25.27 C ATOM 186 O TRP A 284 -5.272 8.625 -11.388 1.00 24.22 O ATOM 187 CB TRP A 284 -3.144 8.137 -13.576 1.00 24.18 C ATOM 188 CG TRP A 284 -2.477 9.322 -14.219 1.00 25.09 C ATOM 189 CD1 TRP A 284 -2.981 10.586 -14.365 1.00 27.01 C ATOM 190 CD2 TRP A 284 -1.175 9.336 -14.808 1.00 25.87 C ATOM 191 NE1 TRP A 284 -2.047 11.396 -14.975 1.00 27.55 N ATOM 192 CE2 TRP A 284 -0.941 10.648 -15.283 1.00 29.67 C ATOM 193 CE3 TRP A 284 -0.196 8.347 -15.032 1.00 28.68 C ATOM 194 CZ2 TRP A 284 0.243 11.007 -15.937 1.00 30.93 C ATOM 195 CZ3 TRP A 284 0.976 8.699 -15.680 1.00 31.28 C ATOM 196 CH2 TRP A 284 1.192 10.013 -16.125 1.00 32.47 C ATOM 197 HE1 TRP A 284 -2.163 12.411 -15.170 1.00 0.00 H ATOM 198 H TRP A 284 -4.046 6.232 -11.714 1.00 0.00 H ATOM 199 N PRO A 285 -3.760 10.301 -11.091 1.00 22.56 N ATOM 200 CA PRO A 285 -4.785 11.230 -10.536 1.00 21.84 C ATOM 201 C PRO A 285 -5.798 11.677 -11.593 1.00 25.55 C ATOM 202 O PRO A 285 -5.420 12.062 -12.707 1.00 24.61 O ATOM 203 CB PRO A 285 -3.954 12.411 -10.047 1.00 23.04 C ATOM 204 CG PRO A 285 -2.699 12.365 -10.892 1.00 26.54 C ATOM 205 CD PRO A 285 -2.409 10.922 -11.073 1.00 23.84 C ATOM 206 N CYS A 286 -7.090 11.610 -11.232 1.00 23.09 N ATOM 207 CA CYS A 286 -8.223 11.914 -12.118 1.00 21.98 C ATOM 208 C CYS A 286 -9.294 12.686 -11.410 1.00 25.71 C ATOM 209 O CYS A 286 -9.341 12.744 -10.174 1.00 23.11 O ATOM 210 CB CYS A 286 -8.825 10.618 -12.666 1.00 21.95 C ATOM 211 SG CYS A 286 -7.674 9.577 -13.597 1.00 26.07 S ATOM 212 H CYS A 286 -7.304 11.322 -10.256 1.00 0.00 H ATOM 213 N MET A 287 -10.245 13.167 -12.219 1.00 22.40 N ATOM 214 CA MET A 287 -11.481 13.754 -11.721 1.00 20.54 C ATOM 215 C MET A 287 -12.640 13.055 -12.425 1.00 23.12 C ATOM 216 O MET A 287 -12.618 12.914 -13.646 1.00 21.87 O ATOM 217 CB MET A 287 -11.549 15.270 -11.930 1.00 21.59 C ATOM 218 CG MET A 287 -12.805 15.841 -11.267 1.00 24.17 C ATOM 219 SD MET A 287 -12.987 17.606 -11.503 1.00 27.43 S ATOM 220 CE MET A 287 -13.280 17.676 -13.311 1.00 24.52 C ATOM 221 H MET A 287 -10.095 13.120 -13.247 1.00 0.00 H ATOM 222 N VAL A 288 -13.626 12.591 -11.657 1.00 21.19 N ATOM 223 CA VAL A 288 -14.848 11.973 -12.212 1.00 21.77 C ATOM 224 C VAL A 288 -15.641 13.076 -12.957 1.00 24.78 C ATOM 225 O VAL A 288 -15.756 14.196 -12.467 1.00 25.03 O ATOM 226 CB VAL A 288 -15.687 11.296 -11.087 1.00 25.49 C ATOM 227 CG1 VAL A 288 -17.029 10.784 -11.633 1.00 26.21 C ATOM 228 CG2 VAL A 288 -14.900 10.149 -10.442 1.00 24.94 C ATOM 229 H VAL A 288 -13.531 12.667 -10.624 1.00 0.00 H ATOM 230 N SER A 289 -16.120 12.779 -14.172 1.00 21.90 N ATOM 231 CA SER A 289 -16.847 13.782 -14.946 1.00 22.38 C ATOM 232 C SER A 289 -17.918 13.109 -15.776 1.00 25.49 C ATOM 233 O SER A 289 -17.862 11.909 -15.973 1.00 23.93 O ATOM 234 CB SER A 289 -15.880 14.514 -15.878 1.00 24.49 C ATOM 235 OG SER A 289 -15.375 13.631 -16.869 1.00 26.45 O ATOM 236 HG SER A 289 -14.752 14.123 -17.461 1.00 0.00 H ATOM 237 H SER A 289 -15.973 11.828 -14.567 1.00 0.00 H ATOM 238 N SER A 290 -18.867 13.897 -16.289 1.00 23.59 N ATOM 239 CA SER A 290 -19.929 13.368 -17.132 1.00 24.82 C ATOM 240 C SER A 290 -19.380 13.145 -18.564 1.00 28.96 C ATOM 241 O SER A 290 -18.660 13.990 -19.076 1.00 29.73 O ATOM 242 CB SER A 290 -21.118 14.323 -17.128 1.00 29.80 C ATOM 243 OG SER A 290 -22.186 13.752 -17.859 1.00 41.31 O ATOM 244 HG SER A 290 -22.957 14.374 -17.855 1.00 0.00 H ATOM 245 H SER A 290 -18.846 14.916 -16.080 1.00 0.00 H ATOM 246 N ASP A 291 -19.622 11.969 -19.157 1.00 27.10 N ATOM 247 CA ASP A 291 -19.151 11.706 -20.529 1.00 27.60 C ATOM 248 C ASP A 291 -19.801 12.766 -21.448 1.00 34.88 C ATOM 249 O ASP A 291 -20.996 13.023 -21.289 1.00 35.02 O ATOM 250 CB ASP A 291 -19.538 10.291 -20.987 1.00 30.25 C ATOM 251 CG ASP A 291 -19.157 9.969 -22.431 1.00 39.89 C ATOM 252 OD1 ASP A 291 -19.857 10.424 -23.338 1.00 45.29 O ATOM 253 OD2 ASP A 291 -18.180 9.234 -22.639 1.00 41.03 O ATOM 254 H ASP A 291 -20.148 11.233 -18.644 1.00 0.00 H ATOM 255 N PRO A 292 -19.048 13.424 -22.362 1.00 36.06 N ATOM 256 CA PRO A 292 -19.666 14.481 -23.199 1.00 39.36 C ATOM 257 C PRO A 292 -20.783 14.009 -24.133 1.00 47.84 C ATOM 258 O PRO A 292 -21.652 14.812 -24.478 1.00 50.27 O ATOM 259 CB PRO A 292 -18.485 15.049 -23.993 1.00 41.03 C ATOM 260 CG PRO A 292 -17.479 13.922 -24.039 1.00 43.16 C ATOM 261 CD PRO A 292 -17.609 13.269 -22.671 1.00 36.88 C ATOM 262 N GLN A 293 -20.756 12.726 -24.545 1.00 44.83 N ATOM 263 CA GLN A 293 -21.755 12.131 -25.446 1.00 46.96 C ATOM 264 C GLN A 293 -22.928 11.461 -24.713 1.00 49.68 C ATOM 265 O GLN A 293 -24.088 11.707 -25.064 1.00 51.00 O ATOM 266 CB GLN A 293 -21.094 11.129 -26.417 1.00 48.77 C ATOM 267 CG GLN A 293 -20.832 11.694 -27.811 1.00 69.83 C ATOM 268 CD GLN A 293 -19.598 12.560 -27.852 1.00 87.29 C ATOM 269 OE1 GLN A 293 -18.468 12.070 -27.943 1.00 82.38 O ATOM 270 NE2 GLN A 293 -19.792 13.868 -27.788 1.00 77.66 N ATOM 271 HE22 GLN A 293 -20.757 14.247 -27.712 1.00 0.00 H ATOM 272 HE21 GLN A 293 -18.979 14.516 -27.814 1.00 0.00 H ATOM 273 H GLN A 293 -19.982 12.120 -24.205 1.00 0.00 H ATOM 274 N LEU A 294 -22.631 10.616 -23.713 1.00 42.15 N ATOM 275 CA LEU A 294 -23.652 9.884 -22.967 1.00 42.26 C ATOM 276 C LEU A 294 -24.317 10.718 -21.883 1.00 43.44 C ATOM 277 O LEU A 294 -25.381 10.337 -21.394 1.00 43.81 O ATOM 278 CB LEU A 294 -23.075 8.589 -22.368 1.00 41.78 C ATOM 279 CG LEU A 294 -22.699 7.466 -23.337 1.00 48.43 C ATOM 280 CD1 LEU A 294 -21.907 6.386 -22.618 1.00 47.67 C ATOM 281 CD2 LEU A 294 -23.945 6.849 -24.003 1.00 53.53 C ATOM 282 H LEU A 294 -21.632 10.477 -23.459 1.00 0.00 H ATOM 283 N GLU A 295 -23.664 11.822 -21.465 1.00 36.86 N ATOM 284 CA GLU A 295 -24.158 12.761 -20.445 1.00 36.42 C ATOM 285 C GLU A 295 -24.423 12.085 -19.081 1.00 39.38 C ATOM 286 O GLU A 295 -25.293 12.525 -18.317 1.00 40.48 O ATOM 287 CB GLU A 295 -25.383 13.561 -20.958 1.00 39.87 C ATOM 288 CG GLU A 295 -25.070 14.329 -22.230 1.00 48.52 C ATOM 289 CD GLU A 295 -26.170 15.251 -22.718 1.00 67.91 C ATOM 290 OE1 GLU A 295 -27.308 14.772 -22.932 1.00 55.80 O ATOM 291 OE2 GLU A 295 -25.884 16.457 -22.899 1.00 60.13 O ATOM 292 H GLU A 295 -22.740 12.025 -21.897 1.00 0.00 H ATOM 293 N VAL A 296 -23.637 11.027 -18.782 1.00 34.07 N ATOM 294 CA VAL A 296 -23.637 10.263 -17.522 1.00 33.17 C ATOM 295 C VAL A 296 -22.187 10.089 -17.082 1.00 30.37 C ATOM 296 O VAL A 296 -21.302 9.999 -17.935 1.00 27.78 O ATOM 297 CB VAL A 296 -24.355 8.885 -17.585 1.00 38.71 C ATOM 298 CG1 VAL A 296 -25.866 9.051 -17.678 1.00 41.28 C ATOM 299 CG2 VAL A 296 -23.817 8.011 -18.718 1.00 38.25 C ATOM 300 H VAL A 296 -22.965 10.722 -19.515 1.00 0.00 H ATOM 301 N HIS A 297 -21.950 10.006 -15.770 1.00 26.50 N ATOM 302 CA HIS A 297 -20.582 9.840 -15.262 1.00 25.24 C ATOM 303 C HIS A 297 -20.322 8.387 -14.845 1.00 28.43 C ATOM 304 O HIS A 297 -19.216 8.051 -14.394 1.00 28.65 O ATOM 305 CB HIS A 297 -20.348 10.767 -14.062 1.00 26.27 C ATOM 306 CG HIS A 297 -21.086 10.345 -12.826 1.00 31.25 C ATOM 307 ND1 HIS A 297 -22.437 10.620 -12.663 1.00 34.77 N ATOM 308 CD2 HIS A 297 -20.637 9.687 -11.729 1.00 33.13 C ATOM 309 CE1 HIS A 297 -22.762 10.118 -11.483 1.00 35.72 C ATOM 310 NE2 HIS A 297 -21.708 9.550 -10.883 1.00 35.18 N ATOM 311 H HIS A 297 -22.744 10.060 -15.100 1.00 0.00 H ATOM 312 N THR A 298 -21.362 7.557 -14.922 1.00 28.14 N ATOM 313 CA THR A 298 -21.302 6.149 -14.543 1.00 28.19 C ATOM 314 C THR A 298 -22.258 5.359 -15.425 1.00 31.97 C ATOM 315 O THR A 298 -23.267 5.901 -15.901 1.00 31.60 O ATOM 316 CB THR A 298 -21.582 5.964 -13.027 1.00 32.41 C ATOM 317 OG1 THR A 298 -21.267 4.626 -12.649 1.00 35.22 O ATOM 318 CG2 THR A 298 -23.040 6.278 -12.634 1.00 34.71 C ATOM 319 HG1 THR A 298 -20.311 4.449 -12.834 1.00 0.00 H ATOM 320 H THR A 298 -22.266 7.934 -15.271 1.00 0.00 H ATOM 321 N LYS A 299 -21.937 4.081 -15.642 1.00 30.22 N ATOM 322 CA LYS A 299 -22.758 3.186 -16.451 1.00 32.55 C ATOM 323 C LYS A 299 -22.376 1.759 -16.147 1.00 34.89 C ATOM 324 O LYS A 299 -21.319 1.496 -15.559 1.00 32.82 O ATOM 325 CB LYS A 299 -22.547 3.475 -17.961 1.00 35.58 C ATOM 326 CG LYS A 299 -21.184 3.046 -18.502 1.00 35.45 C ATOM 327 CD LYS A 299 -20.984 3.417 -19.957 1.00 46.40 C ATOM 328 CE LYS A 299 -19.799 2.674 -20.523 1.00 48.63 C ATOM 329 NZ LYS A 299 -19.364 3.218 -21.831 1.00 57.47 N ATOM 330 HZ1 LYS A 299 -20.146 3.144 -22.513 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.094 4.216 -21.718 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.548 2.674 -22.177 1.00 0.00 H ATOM 333 H LYS A 299 -21.065 3.708 -15.216 1.00 0.00 H ATOM 334 N ILE A 300 -23.209 0.843 -16.613 1.00 31.37 N ATOM 335 CA ILE A 300 -22.953 -0.586 -16.534 1.00 31.45 C ATOM 336 C ILE A 300 -22.467 -0.937 -17.930 1.00 36.06 C ATOM 337 O ILE A 300 -23.131 -0.608 -18.918 1.00 35.99 O ATOM 338 CB ILE A 300 -24.230 -1.374 -16.109 1.00 37.63 C ATOM 339 CG1 ILE A 300 -24.780 -0.885 -14.728 1.00 39.33 C ATOM 340 CG2 ILE A 300 -24.004 -2.880 -16.144 1.00 37.65 C ATOM 341 CD1 ILE A 300 -23.838 -1.063 -13.474 1.00 43.73 C ATOM 342 H ILE A 300 -24.093 1.162 -17.059 1.00 0.00 H ATOM 343 N ASN A 301 -21.293 -1.571 -18.011 1.00 33.50 N ATOM 344 CA ASN A 301 -20.680 -1.924 -19.285 1.00 34.43 C ATOM 345 C ASN A 301 -21.254 -3.210 -19.896 1.00 40.30 C ATOM 346 O ASN A 301 -22.130 -3.855 -19.302 1.00 39.70 O ATOM 347 CB ASN A 301 -19.147 -1.966 -19.143 1.00 34.87 C ATOM 348 CG ASN A 301 -18.577 -3.149 -18.384 1.00 44.15 C ATOM 349 OD1 ASN A 301 -19.218 -4.198 -18.180 1.00 34.61 O ATOM 350 ND2 ASN A 301 -17.323 -3.011 -17.982 1.00 36.12 N ATOM 351 HD22 ASN A 301 -16.813 -2.124 -18.166 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.848 -3.790 -17.482 1.00 0.00 H ATOM 353 H ASN A 301 -20.798 -1.822 -17.131 1.00 0.00 H ATOM 354 N THR A 302 -20.726 -3.607 -21.075 1.00 39.70 N ATOM 355 CA THR A 302 -21.203 -4.764 -21.840 1.00 42.97 C ATOM 356 C THR A 302 -20.879 -6.113 -21.176 1.00 45.84 C ATOM 357 O THR A 302 -21.336 -7.139 -21.657 1.00 47.14 O ATOM 358 CB THR A 302 -20.718 -4.701 -23.296 1.00 53.59 C ATOM 359 OG1 THR A 302 -19.289 -4.671 -23.305 1.00 49.16 O ATOM 360 CG2 THR A 302 -21.295 -3.502 -24.052 1.00 51.16 C ATOM 361 HG1 THR A 302 -18.974 -3.873 -22.811 1.00 0.00 H ATOM 362 H THR A 302 -19.933 -3.058 -21.464 1.00 0.00 H ATOM 363 N ARG A 303 -20.103 -6.102 -20.079 1.00 39.47 N ATOM 364 CA ARG A 303 -19.792 -7.298 -19.299 1.00 41.42 C ATOM 365 C ARG A 303 -20.582 -7.266 -17.980 1.00 44.23 C ATOM 366 O ARG A 303 -20.415 -8.155 -17.153 1.00 45.03 O ATOM 367 CB ARG A 303 -18.272 -7.439 -19.053 1.00 42.93 C ATOM 368 CG ARG A 303 -17.500 -7.867 -20.298 1.00 60.30 C ATOM 369 CD ARG A 303 -15.999 -7.865 -20.076 1.00 78.00 C ATOM 370 NE ARG A 303 -15.543 -9.075 -19.387 1.00 96.17 N ATOM 371 CZ ARG A 303 -14.278 -9.325 -19.064 1.00114.26 C ATOM 372 NH1 ARG A 303 -13.322 -8.450 -19.361 1.00101.51 N ATOM 373 NH2 ARG A 303 -13.957 -10.450 -18.440 1.00103.71 N ATOM 374 HE ARG A 303 -16.258 -9.787 -19.133 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.334 -8.652 -19.105 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.562 -7.563 -19.849 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.966 -10.641 -18.189 1.00 0.00 H ATOM 378 HH21 ARG A 303 -14.696 -11.141 -18.201 1.00 0.00 H ATOM 379 H ARG A 303 -19.702 -5.194 -19.769 1.00 0.00 H ATOM 380 N GLY A 304 -21.448 -6.256 -17.817 1.00 40.20 N ATOM 381 CA GLY A 304 -22.306 -6.090 -16.647 1.00 40.66 C ATOM 382 C GLY A 304 -21.647 -5.496 -15.415 1.00 44.23 C ATOM 383 O GLY A 304 -22.205 -5.587 -14.321 1.00 45.90 O ATOM 384 H GLY A 304 -21.513 -5.544 -18.573 1.00 0.00 H ATOM 385 N ALA A 305 -20.468 -4.874 -15.582 1.00 37.29 N ATOM 386 CA ALA A 305 -19.709 -4.245 -14.506 1.00 36.42 C ATOM 387 C ALA A 305 -19.938 -2.729 -14.490 1.00 38.09 C ATOM 388 O ALA A 305 -20.095 -2.134 -15.559 1.00 35.73 O ATOM 389 CB ALA A 305 -18.226 -4.520 -14.708 1.00 36.43 C ATOM 390 H ALA A 305 -20.070 -4.838 -16.542 1.00 0.00 H ATOM 391 N ARG A 306 -19.870 -2.089 -13.302 1.00 34.81 N ATOM 392 CA ARG A 306 -19.995 -0.628 -13.224 1.00 32.64 C ATOM 393 C ARG A 306 -18.678 0.033 -13.628 1.00 32.74 C ATOM 394 O ARG A 306 -17.613 -0.411 -13.215 1.00 32.53 O ATOM 395 CB ARG A 306 -20.372 -0.149 -11.808 1.00 33.54 C ATOM 396 CG ARG A 306 -20.543 1.389 -11.737 1.00 35.48 C ATOM 397 CD ARG A 306 -21.408 1.895 -10.593 1.00 40.67 C ATOM 398 NE ARG A 306 -22.774 1.362 -10.611 1.00 40.21 N ATOM 399 CZ ARG A 306 -23.769 1.843 -11.349 1.00 45.37 C ATOM 400 NH1 ARG A 306 -24.974 1.291 -11.287 1.00 43.77 N ATOM 401 NH2 ARG A 306 -23.562 2.863 -12.171 1.00 35.08 N ATOM 402 HE ARG A 306 -22.980 0.546 -10.000 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.750 1.670 -11.866 1.00 0.00 H ATOM 404 HH11 ARG A 306 -25.142 0.479 -10.659 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.345 3.235 -12.746 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.617 3.291 -12.241 1.00 0.00 H ATOM 407 H ARG A 306 -19.727 -2.639 -12.431 1.00 0.00 H ATOM 408 N GLU A 307 -18.772 1.093 -14.430 1.00 27.46 N ATOM 409 CA GLU A 307 -17.644 1.922 -14.830 1.00 25.62 C ATOM 410 C GLU A 307 -17.932 3.381 -14.484 1.00 28.80 C ATOM 411 O GLU A 307 -19.088 3.787 -14.402 1.00 28.54 O ATOM 412 CB GLU A 307 -17.368 1.823 -16.338 1.00 26.79 C ATOM 413 CG GLU A 307 -16.832 0.477 -16.802 1.00 30.84 C ATOM 414 CD GLU A 307 -16.627 0.427 -18.300 1.00 31.92 C ATOM 415 OE1 GLU A 307 -17.129 1.335 -18.999 1.00 36.80 O ATOM 416 OE2 GLU A 307 -15.984 -0.535 -18.777 1.00 33.76 O ATOM 417 H GLU A 307 -19.713 1.345 -14.794 1.00 0.00 H ATOM 418 N TYR A 308 -16.867 4.163 -14.313 1.00 25.06 N ATOM 419 CA TYR A 308 -16.925 5.605 -14.081 1.00 24.62 C ATOM 420 C TYR A 308 -16.155 6.316 -15.172 1.00 26.71 C ATOM 421 O TYR A 308 -15.137 5.814 -15.641 1.00 24.93 O ATOM 422 CB TYR A 308 -16.322 5.987 -12.730 1.00 25.33 C ATOM 423 CG TYR A 308 -17.127 5.447 -11.573 1.00 28.02 C ATOM 424 CD1 TYR A 308 -18.269 6.110 -11.120 1.00 30.07 C ATOM 425 CD2 TYR A 308 -16.814 4.215 -10.996 1.00 29.91 C ATOM 426 CE1 TYR A 308 -19.046 5.589 -10.085 1.00 31.94 C ATOM 427 CE2 TYR A 308 -17.582 3.688 -9.963 1.00 32.48 C ATOM 428 CZ TYR A 308 -18.703 4.371 -9.522 1.00 37.96 C ATOM 429 OH TYR A 308 -19.426 3.859 -8.484 1.00 38.14 O ATOM 430 HH TYR A 308 -19.763 2.961 -8.729 1.00 0.00 H ATOM 431 H TYR A 308 -15.929 3.716 -14.347 1.00 0.00 H ATOM 432 N HIS A 309 -16.653 7.493 -15.565 1.00 23.14 N ATOM 433 CA HIS A 309 -16.004 8.327 -16.567 1.00 22.45 C ATOM 434 C HIS A 309 -15.077 9.273 -15.835 1.00 23.18 C ATOM 435 O HIS A 309 -15.492 9.928 -14.880 1.00 21.79 O ATOM 436 CB HIS A 309 -17.051 9.099 -17.387 1.00 23.39 C ATOM 437 CG HIS A 309 -16.428 9.909 -18.474 1.00 25.03 C ATOM 438 ND1 HIS A 309 -16.034 11.221 -18.260 1.00 25.23 N ATOM 439 CD2 HIS A 309 -16.126 9.558 -19.745 1.00 26.81 C ATOM 440 CE1 HIS A 309 -15.517 11.626 -19.414 1.00 25.76 C ATOM 441 NE2 HIS A 309 -15.535 10.658 -20.327 1.00 26.44 N ATOM 442 H HIS A 309 -17.540 7.827 -15.137 1.00 0.00 H ATOM 443 N VAL A 310 -13.824 9.333 -16.274 1.00 20.41 N ATOM 444 CA VAL A 310 -12.811 10.179 -15.625 1.00 20.66 C ATOM 445 C VAL A 310 -12.041 11.035 -16.602 1.00 24.32 C ATOM 446 O VAL A 310 -11.799 10.624 -17.751 1.00 23.22 O ATOM 447 CB VAL A 310 -11.801 9.329 -14.800 1.00 24.75 C ATOM 448 CG1 VAL A 310 -12.517 8.485 -13.739 1.00 25.83 C ATOM 449 CG2 VAL A 310 -10.907 8.456 -15.705 1.00 24.18 C ATOM 450 H VAL A 310 -13.552 8.765 -17.101 1.00 0.00 H ATOM 451 N GLN A 311 -11.528 12.171 -16.094 1.00 21.02 N ATOM 452 CA GLN A 311 -10.570 12.987 -16.820 1.00 21.12 C ATOM 453 C GLN A 311 -9.237 12.718 -16.130 1.00 25.04 C ATOM 454 O GLN A 311 -9.190 12.746 -14.900 1.00 23.49 O ATOM 455 CB GLN A 311 -10.851 14.474 -16.584 1.00 22.29 C ATOM 456 CG GLN A 311 -12.226 14.900 -16.995 1.00 26.09 C ATOM 457 CD GLN A 311 -12.373 16.399 -17.019 1.00 31.23 C ATOM 458 OE1 GLN A 311 -13.363 16.882 -17.522 1.00 27.11 O ATOM 459 NE2 GLN A 311 -11.428 17.165 -16.460 1.00 27.83 N ATOM 460 HE22 GLN A 311 -10.587 16.726 -16.035 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.535 18.199 -16.451 1.00 0.00 H ATOM 462 H GLN A 311 -11.829 12.476 -15.146 1.00 0.00 H ATOM 463 N PHE A 312 -8.162 12.525 -16.885 1.00 22.93 N ATOM 464 CA PHE A 312 -6.831 12.381 -16.283 1.00 23.19 C ATOM 465 C PHE A 312 -6.220 13.771 -16.087 1.00 26.97 C ATOM 466 O PHE A 312 -6.222 14.569 -17.031 1.00 28.89 O ATOM 467 CB PHE A 312 -5.889 11.589 -17.220 1.00 25.22 C ATOM 468 CG PHE A 312 -6.311 10.146 -17.366 1.00 25.68 C ATOM 469 CD1 PHE A 312 -7.264 9.774 -18.313 1.00 27.84 C ATOM 470 CD2 PHE A 312 -5.779 9.160 -16.534 1.00 26.17 C ATOM 471 CE1 PHE A 312 -7.710 8.453 -18.400 1.00 29.72 C ATOM 472 CE2 PHE A 312 -6.205 7.831 -16.645 1.00 29.37 C ATOM 473 CZ PHE A 312 -7.153 7.487 -17.590 1.00 28.90 C ATOM 474 H PHE A 312 -8.265 12.475 -17.919 1.00 0.00 H ATOM 475 N PHE A 313 -5.664 14.048 -14.888 1.00 22.62 N ATOM 476 CA PHE A 313 -4.887 15.280 -14.641 1.00 22.89 C ATOM 477 C PHE A 313 -3.524 15.064 -15.298 1.00 26.82 C ATOM 478 O PHE A 313 -2.831 14.088 -14.989 1.00 26.68 O ATOM 479 CB PHE A 313 -4.690 15.521 -13.132 1.00 24.63 C ATOM 480 CG PHE A 313 -5.918 16.028 -12.436 1.00 24.88 C ATOM 481 CD1 PHE A 313 -6.349 17.342 -12.612 1.00 26.12 C ATOM 482 CD2 PHE A 313 -6.623 15.215 -11.555 1.00 25.60 C ATOM 483 CE1 PHE A 313 -7.491 17.810 -11.957 1.00 26.88 C ATOM 484 CE2 PHE A 313 -7.746 15.697 -10.883 1.00 26.65 C ATOM 485 CZ PHE A 313 -8.164 16.992 -11.082 1.00 25.42 C ATOM 486 H PHE A 313 -5.787 13.369 -14.110 1.00 0.00 H ATOM 487 N SER A 314 -3.133 15.987 -16.180 1.00 26.22 N ATOM 488 CA SER A 314 -1.940 15.879 -16.993 1.00 28.79 C ATOM 489 C SER A 314 -1.817 17.107 -17.879 1.00 35.98 C ATOM 490 O SER A 314 -2.809 17.804 -18.117 1.00 35.20 O ATOM 491 CB SER A 314 -2.118 14.662 -17.908 1.00 31.20 C ATOM 492 OG SER A 314 -1.156 14.529 -18.933 1.00 38.22 O ATOM 493 HG SER A 314 -1.354 13.719 -19.467 1.00 0.00 H ATOM 494 H SER A 314 -3.722 16.837 -16.290 1.00 0.00 H ATOM 495 N ASN A 315 -0.633 17.273 -18.494 1.00 33.72 N ATOM 496 CA ASN A 315 -0.425 18.287 -19.512 1.00 36.68 C ATOM 497 C ASN A 315 -1.098 17.863 -20.820 1.00 41.97 C ATOM 498 O ASN A 315 -1.306 18.701 -21.698 1.00 45.58 O ATOM 499 CB ASN A 315 1.073 18.521 -19.750 1.00 41.16 C ATOM 500 CG ASN A 315 1.689 19.576 -18.866 1.00 65.71 C ATOM 501 OD1 ASN A 315 1.004 20.404 -18.258 1.00 62.07 O ATOM 502 ND2 ASN A 315 3.008 19.578 -18.789 1.00 63.53 N ATOM 503 HD22 ASN A 315 3.560 18.869 -19.312 1.00 0.00 H ATOM 504 HD21 ASN A 315 3.494 20.289 -18.206 1.00 0.00 H ATOM 505 H ASN A 315 0.161 16.654 -18.232 1.00 0.00 H ATOM 506 N GLN A 316 -1.417 16.563 -20.955 1.00 36.86 N ATOM 507 CA GLN A 316 -2.064 15.994 -22.139 1.00 37.04 C ATOM 508 C GLN A 316 -3.512 15.609 -21.727 1.00 37.67 C ATOM 509 O GLN A 316 -3.704 14.549 -21.143 1.00 36.35 O ATOM 510 CB GLN A 316 -1.272 14.765 -22.623 1.00 39.36 C ATOM 511 CG GLN A 316 -1.760 14.138 -23.939 1.00 53.09 C ATOM 512 CD GLN A 316 -1.347 12.681 -24.086 1.00 75.37 C ATOM 513 OE1 GLN A 316 -0.690 12.088 -23.226 1.00 74.75 O ATOM 514 NE2 GLN A 316 -1.730 12.057 -25.183 1.00 66.25 N ATOM 515 HE22 GLN A 316 -2.283 12.564 -25.903 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.479 11.058 -25.328 1.00 0.00 H ATOM 517 H GLN A 316 -1.190 15.922 -20.169 1.00 0.00 H ATOM 518 N PRO A 317 -4.529 16.463 -21.985 1.00 35.28 N ATOM 519 CA PRO A 317 -5.908 16.112 -21.562 1.00 33.67 C ATOM 520 C PRO A 317 -6.431 14.826 -22.199 1.00 33.77 C ATOM 521 O PRO A 317 -6.327 14.660 -23.405 1.00 33.17 O ATOM 522 CB PRO A 317 -6.740 17.324 -22.001 1.00 37.22 C ATOM 523 CG PRO A 317 -5.773 18.411 -22.276 1.00 43.68 C ATOM 524 CD PRO A 317 -4.488 17.765 -22.677 1.00 39.79 C ATOM 525 N GLU A 318 -6.923 13.888 -21.383 1.00 29.00 N ATOM 526 CA GLU A 318 -7.514 12.623 -21.870 1.00 26.89 C ATOM 527 C GLU A 318 -8.652 12.223 -20.937 1.00 27.88 C ATOM 528 O GLU A 318 -8.668 12.616 -19.778 1.00 25.03 O ATOM 529 CB GLU A 318 -6.495 11.461 -21.895 1.00 28.39 C ATOM 530 CG GLU A 318 -5.261 11.635 -22.778 1.00 35.73 C ATOM 531 CD GLU A 318 -5.459 11.713 -24.279 1.00 51.08 C ATOM 532 OE1 GLU A 318 -4.472 12.032 -24.978 1.00 42.93 O ATOM 533 OE2 GLU A 318 -6.587 11.471 -24.762 1.00 42.94 O ATOM 534 H GLU A 318 -6.888 14.056 -20.357 1.00 0.00 H ATOM 535 N ARG A 319 -9.549 11.384 -21.422 1.00 25.71 N ATOM 536 CA ARG A 319 -10.680 10.891 -20.639 1.00 24.08 C ATOM 537 C ARG A 319 -10.797 9.380 -20.895 1.00 27.99 C ATOM 538 O ARG A 319 -10.304 8.885 -21.925 1.00 27.21 O ATOM 539 CB ARG A 319 -11.993 11.623 -21.029 1.00 25.23 C ATOM 540 CG ARG A 319 -12.223 11.678 -22.559 1.00 36.58 C ATOM 541 CD ARG A 319 -13.673 11.824 -22.986 1.00 45.74 C ATOM 542 NE ARG A 319 -14.370 10.545 -22.873 1.00 57.42 N ATOM 543 CZ ARG A 319 -15.051 9.961 -23.848 1.00 80.60 C ATOM 544 NH1 ARG A 319 -15.626 8.783 -23.647 1.00 75.16 N ATOM 545 NH2 ARG A 319 -15.167 10.548 -25.033 1.00 73.91 N ATOM 546 HE ARG A 319 -14.328 10.055 -21.957 1.00 0.00 H ATOM 547 HH12 ARG A 319 -16.160 8.327 -24.414 1.00 0.00 H ATOM 548 HH11 ARG A 319 -15.543 8.315 -22.722 1.00 0.00 H ATOM 549 HH22 ARG A 319 -15.703 10.083 -25.793 1.00 0.00 H ATOM 550 HH21 ARG A 319 -14.722 11.473 -25.201 1.00 0.00 H ATOM 551 H ARG A 319 -9.446 11.060 -22.405 1.00 0.00 H ATOM 552 N ALA A 320 -11.465 8.657 -19.973 1.00 24.01 N ATOM 553 CA ALA A 320 -11.706 7.221 -20.154 1.00 24.61 C ATOM 554 C ALA A 320 -12.834 6.754 -19.279 1.00 26.98 C ATOM 555 O ALA A 320 -13.109 7.346 -18.235 1.00 26.68 O ATOM 556 CB ALA A 320 -10.439 6.413 -19.814 1.00 25.61 C ATOM 557 H ALA A 320 -11.817 9.128 -19.115 1.00 0.00 H ATOM 558 N TRP A 321 -13.464 5.656 -19.693 1.00 25.11 N ATOM 559 CA TRP A 321 -14.415 4.907 -18.892 1.00 25.18 C ATOM 560 C TRP A 321 -13.554 3.875 -18.180 1.00 28.45 C ATOM 561 O TRP A 321 -12.791 3.164 -18.829 1.00 30.06 O ATOM 562 CB TRP A 321 -15.450 4.206 -19.785 1.00 25.37 C ATOM 563 CG TRP A 321 -16.557 5.128 -20.166 1.00 26.86 C ATOM 564 CD1 TRP A 321 -16.748 5.738 -21.371 1.00 30.58 C ATOM 565 CD2 TRP A 321 -17.619 5.565 -19.317 1.00 26.30 C ATOM 566 NE1 TRP A 321 -17.885 6.514 -21.330 1.00 30.59 N ATOM 567 CE2 TRP A 321 -18.429 6.438 -20.074 1.00 30.68 C ATOM 568 CE3 TRP A 321 -17.988 5.272 -17.990 1.00 27.09 C ATOM 569 CZ2 TRP A 321 -19.575 7.033 -19.549 1.00 30.02 C ATOM 570 CZ3 TRP A 321 -19.140 5.850 -17.483 1.00 29.06 C ATOM 571 CH2 TRP A 321 -19.903 6.735 -18.250 1.00 30.07 C ATOM 572 HE1 TRP A 321 -18.268 7.067 -22.123 1.00 0.00 H ATOM 573 H TRP A 321 -13.261 5.313 -20.654 1.00 0.00 H ATOM 574 N VAL A 322 -13.647 3.805 -16.849 1.00 24.98 N ATOM 575 CA VAL A 322 -12.799 2.904 -16.051 1.00 25.24 C ATOM 576 C VAL A 322 -13.667 2.021 -15.162 1.00 27.81 C ATOM 577 O VAL A 322 -14.553 2.542 -14.476 1.00 26.71 O ATOM 578 CB VAL A 322 -11.810 3.749 -15.185 1.00 27.79 C ATOM 579 CG1 VAL A 322 -10.835 2.857 -14.403 1.00 27.77 C ATOM 580 CG2 VAL A 322 -11.050 4.761 -16.042 1.00 27.80 C ATOM 581 H VAL A 322 -14.341 4.406 -16.361 1.00 0.00 H ATOM 582 N HIS A 323 -13.363 0.697 -15.121 1.00 26.42 N ATOM 583 CA HIS A 323 -14.042 -0.293 -14.285 1.00 27.46 C ATOM 584 C HIS A 323 -13.910 0.163 -12.829 1.00 30.96 C ATOM 585 O HIS A 323 -12.835 0.606 -12.437 1.00 29.81 O ATOM 586 CB HIS A 323 -13.366 -1.675 -14.470 1.00 29.49 C ATOM 587 CG HIS A 323 -14.115 -2.835 -13.879 1.00 35.86 C ATOM 588 ND1 HIS A 323 -14.297 -2.964 -12.510 1.00 38.88 N ATOM 589 CD2 HIS A 323 -14.631 -3.927 -14.488 1.00 39.85 C ATOM 590 CE1 HIS A 323 -14.950 -4.102 -12.340 1.00 40.70 C ATOM 591 NE2 HIS A 323 -15.169 -4.718 -13.496 1.00 41.59 N ATOM 592 H HIS A 323 -12.589 0.362 -15.730 1.00 0.00 H ATOM 593 N GLU A 324 -14.997 0.065 -12.042 1.00 28.84 N ATOM 594 CA GLU A 324 -15.029 0.478 -10.627 1.00 29.87 C ATOM 595 C GLU A 324 -13.906 -0.119 -9.775 1.00 35.40 C ATOM 596 O GLU A 324 -13.464 0.533 -8.822 1.00 34.90 O ATOM 597 CB GLU A 324 -16.393 0.190 -9.983 1.00 33.05 C ATOM 598 CG GLU A 324 -16.775 -1.290 -9.999 1.00 41.72 C ATOM 599 CD GLU A 324 -17.973 -1.719 -9.172 1.00 70.60 C ATOM 600 OE1 GLU A 324 -18.829 -0.862 -8.858 1.00 53.46 O ATOM 601 OE2 GLU A 324 -18.064 -2.928 -8.858 1.00 72.90 O ATOM 602 H GLU A 324 -15.867 -0.326 -12.457 1.00 0.00 H ATOM 603 N LYS A 325 -13.453 -1.360 -10.103 1.00 33.59 N ATOM 604 CA LYS A 325 -12.358 -2.031 -9.381 1.00 34.36 C ATOM 605 C LYS A 325 -11.012 -1.340 -9.628 1.00 36.44 C ATOM 606 O LYS A 325 -10.082 -1.544 -8.847 1.00 37.55 O ATOM 607 CB LYS A 325 -12.270 -3.512 -9.770 1.00 38.53 C ATOM 608 CG LYS A 325 -13.455 -4.322 -9.247 1.00 50.18 C ATOM 609 CD LYS A 325 -13.028 -5.447 -8.312 1.00 69.80 C ATOM 610 CE LYS A 325 -14.185 -6.342 -7.910 1.00 85.10 C ATOM 611 NZ LYS A 325 -15.153 -5.657 -7.005 1.00 93.17 N ATOM 612 HZ1 LYS A 325 -14.663 -5.359 -6.137 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -15.546 -4.823 -7.487 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -15.922 -6.313 -6.762 1.00 0.00 H ATOM 615 H LYS A 325 -13.900 -1.857 -10.900 1.00 0.00 H ATOM 616 N ARG A 326 -10.916 -0.515 -10.702 1.00 30.91 N ATOM 617 CA ARG A 326 -9.699 0.229 -11.061 1.00 28.88 C ATOM 618 C ARG A 326 -9.787 1.728 -10.708 1.00 31.86 C ATOM 619 O ARG A 326 -9.004 2.522 -11.222 1.00 30.07 O ATOM 620 CB ARG A 326 -9.386 0.053 -12.560 1.00 28.38 C ATOM 621 CG ARG A 326 -8.912 -1.357 -12.945 1.00 37.00 C ATOM 622 CD ARG A 326 -9.075 -1.541 -14.440 1.00 50.00 C ATOM 623 NE ARG A 326 -8.893 -2.928 -14.865 1.00 69.00 N ATOM 624 CZ ARG A 326 -7.842 -3.373 -15.549 1.00 87.86 C ATOM 625 NH1 ARG A 326 -6.862 -2.543 -15.891 1.00 77.21 N ATOM 626 NH2 ARG A 326 -7.765 -4.651 -15.898 1.00 73.70 N ATOM 627 HE ARG A 326 -9.635 -3.613 -14.616 1.00 0.00 H ATOM 628 HH12 ARG A 326 -6.043 -2.897 -16.426 1.00 0.00 H ATOM 629 HH11 ARG A 326 -6.914 -1.539 -15.624 1.00 0.00 H ATOM 630 HH22 ARG A 326 -6.942 -4.995 -16.433 1.00 0.00 H ATOM 631 HH21 ARG A 326 -8.528 -5.308 -15.637 1.00 0.00 H ATOM 632 H ARG A 326 -11.754 -0.402 -11.308 1.00 0.00 H ATOM 633 N VAL A 327 -10.743 2.110 -9.839 1.00 28.81 N ATOM 634 CA VAL A 327 -10.942 3.489 -9.391 1.00 27.78 C ATOM 635 C VAL A 327 -10.865 3.497 -7.861 1.00 34.58 C ATOM 636 O VAL A 327 -11.500 2.656 -7.219 1.00 36.36 O ATOM 637 CB VAL A 327 -12.297 4.081 -9.889 1.00 29.82 C ATOM 638 CG1 VAL A 327 -12.479 5.517 -9.402 1.00 29.63 C ATOM 639 CG2 VAL A 327 -12.406 4.046 -11.408 1.00 28.10 C ATOM 640 H VAL A 327 -11.380 1.379 -9.463 1.00 0.00 H ATOM 641 N ARG A 328 -10.110 4.452 -7.277 1.00 30.57 N ATOM 642 CA ARG A 328 -10.001 4.570 -5.813 1.00 30.84 C ATOM 643 C ARG A 328 -10.157 6.037 -5.419 1.00 31.95 C ATOM 644 O ARG A 328 -9.705 6.905 -6.151 1.00 29.66 O ATOM 645 CB ARG A 328 -8.624 4.075 -5.321 1.00 31.75 C ATOM 646 CG ARG A 328 -8.290 2.591 -5.546 1.00 40.84 C ATOM 647 CD ARG A 328 -8.889 1.642 -4.510 1.00 46.40 C ATOM 648 NE ARG A 328 -8.413 0.269 -4.712 1.00 55.22 N ATOM 649 CZ ARG A 328 -8.929 -0.587 -5.593 1.00 75.67 C ATOM 650 NH1 ARG A 328 -8.418 -1.804 -5.721 1.00 61.39 N ATOM 651 NH2 ARG A 328 -9.955 -0.228 -6.360 1.00 66.02 N ATOM 652 HE ARG A 328 -7.618 -0.059 -4.127 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.824 -2.469 -6.410 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.611 -2.094 -5.132 1.00 0.00 H ATOM 655 HH22 ARG A 328 -10.353 -0.902 -7.045 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.360 0.726 -6.274 1.00 0.00 H ATOM 657 H ARG A 328 -9.591 5.123 -7.878 1.00 0.00 H ATOM 658 N GLU A 329 -10.751 6.332 -4.260 1.00 30.63 N ATOM 659 CA GLU A 329 -10.854 7.727 -3.799 1.00 29.72 C ATOM 660 C GLU A 329 -9.441 8.335 -3.687 1.00 31.62 C ATOM 661 O GLU A 329 -8.541 7.664 -3.196 1.00 33.05 O ATOM 662 CB GLU A 329 -11.549 7.794 -2.425 1.00 33.05 C ATOM 663 CG GLU A 329 -11.689 9.224 -1.903 1.00 39.76 C ATOM 664 CD GLU A 329 -12.190 9.389 -0.479 1.00 63.71 C ATOM 665 OE1 GLU A 329 -12.449 10.547 -0.078 1.00 63.61 O ATOM 666 OE2 GLU A 329 -12.316 8.370 0.237 1.00 58.75 O ATOM 667 H GLU A 329 -11.146 5.567 -3.676 1.00 0.00 H ATOM 668 N TYR A 330 -9.256 9.576 -4.162 1.00 28.07 N ATOM 669 CA TYR A 330 -7.976 10.292 -4.076 1.00 28.28 C ATOM 670 C TYR A 330 -7.965 11.104 -2.774 1.00 33.95 C ATOM 671 O TYR A 330 -8.653 12.124 -2.663 1.00 33.45 O ATOM 672 CB TYR A 330 -7.730 11.194 -5.309 1.00 27.64 C ATOM 673 CG TYR A 330 -6.379 11.878 -5.321 1.00 27.93 C ATOM 674 CD1 TYR A 330 -6.193 13.113 -4.699 1.00 30.59 C ATOM 675 CD2 TYR A 330 -5.307 11.336 -6.029 1.00 28.10 C ATOM 676 CE1 TYR A 330 -4.945 13.744 -4.698 1.00 30.50 C ATOM 677 CE2 TYR A 330 -4.062 11.969 -6.055 1.00 29.41 C ATOM 678 CZ TYR A 330 -3.888 13.176 -5.391 1.00 33.23 C ATOM 679 OH TYR A 330 -2.672 13.812 -5.440 1.00 29.99 O ATOM 680 HH TYR A 330 -2.719 14.652 -4.918 1.00 0.00 H ATOM 681 H TYR A 330 -10.060 10.056 -4.614 1.00 0.00 H ATOM 682 N LYS A 331 -7.192 10.631 -1.792 1.00 32.24 N ATOM 683 CA LYS A 331 -7.073 11.278 -0.479 1.00 35.29 C ATOM 684 C LYS A 331 -5.856 12.199 -0.400 1.00 41.02 C ATOM 685 O LYS A 331 -5.845 13.135 0.393 1.00 43.67 O ATOM 686 CB LYS A 331 -7.047 10.227 0.647 1.00 39.56 C ATOM 687 CG LYS A 331 -8.364 9.476 0.809 1.00 53.36 C ATOM 688 CD LYS A 331 -8.258 8.369 1.849 1.00 66.15 C ATOM 689 CE LYS A 331 -9.528 7.567 1.953 1.00 77.64 C ATOM 690 NZ LYS A 331 -9.495 6.634 3.111 1.00 92.27 N ATOM 691 HZ1 LYS A 331 -8.698 5.975 3.001 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -9.377 7.178 3.990 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -10.386 6.099 3.149 1.00 0.00 H ATOM 694 H LYS A 331 -6.648 9.762 -1.966 1.00 0.00 H ATOM 695 N GLY A 332 -4.859 11.933 -1.232 1.00 36.28 N ATOM 696 CA GLY A 332 -3.610 12.687 -1.279 1.00 35.64 C ATOM 697 C GLY A 332 -2.552 11.920 -2.043 1.00 38.69 C ATOM 698 O GLY A 332 -2.654 10.695 -2.167 1.00 37.33 O ATOM 699 H GLY A 332 -4.974 11.138 -1.892 1.00 0.00 H ATOM 700 N HIS A 333 -1.527 12.621 -2.565 1.00 34.69 N ATOM 701 CA HIS A 333 -0.454 12.000 -3.352 1.00 33.96 C ATOM 702 C HIS A 333 0.316 10.891 -2.626 1.00 38.24 C ATOM 703 O HIS A 333 0.799 9.966 -3.279 1.00 37.18 O ATOM 704 CB HIS A 333 0.516 13.046 -3.904 1.00 35.15 C ATOM 705 CG HIS A 333 1.360 13.727 -2.870 1.00 40.59 C ATOM 706 ND1 HIS A 333 2.697 13.422 -2.725 1.00 43.99 N ATOM 707 CD2 HIS A 333 1.028 14.683 -1.971 1.00 42.62 C ATOM 708 CE1 HIS A 333 3.144 14.207 -1.755 1.00 44.59 C ATOM 709 NE2 HIS A 333 2.175 14.983 -1.271 1.00 44.55 N ATOM 710 H HIS A 333 -1.494 13.648 -2.403 1.00 0.00 H ATOM 711 N LYS A 334 0.412 10.973 -1.281 1.00 37.49 N ATOM 712 CA LYS A 334 1.127 9.985 -0.463 1.00 39.27 C ATOM 713 C LYS A 334 0.434 8.611 -0.430 1.00 42.89 C ATOM 714 O LYS A 334 1.060 7.604 -0.081 1.00 43.04 O ATOM 715 CB LYS A 334 1.388 10.540 0.948 1.00 43.59 C ATOM 716 CG LYS A 334 2.494 11.588 0.954 1.00 50.71 C ATOM 717 CD LYS A 334 2.656 12.258 2.319 1.00 60.42 C ATOM 718 CE LYS A 334 3.917 13.079 2.382 1.00 65.32 C ATOM 719 NZ LYS A 334 3.840 14.141 3.419 1.00 66.20 N ATOM 720 HZ1 LYS A 334 3.048 14.779 3.202 1.00 0.00 H ATOM 721 HZ2 LYS A 334 3.690 13.704 4.351 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.729 14.681 3.427 1.00 0.00 H ATOM 723 H LYS A 334 -0.043 11.776 -0.801 1.00 0.00 H ATOM 724 N GLN A 335 -0.835 8.558 -0.861 1.00 38.91 N ATOM 725 CA GLN A 335 -1.617 7.321 -0.949 1.00 39.01 C ATOM 726 C GLN A 335 -1.043 6.364 -2.017 1.00 41.96 C ATOM 727 O GLN A 335 -1.370 5.173 -1.992 1.00 42.83 O ATOM 728 CB GLN A 335 -3.055 7.691 -1.326 1.00 38.46 C ATOM 729 CG GLN A 335 -4.098 6.599 -1.211 1.00 46.83 C ATOM 730 CD GLN A 335 -5.427 7.108 -1.701 1.00 56.02 C ATOM 731 OE1 GLN A 335 -5.595 8.302 -2.009 1.00 41.51 O ATOM 732 NE2 GLN A 335 -6.394 6.208 -1.796 1.00 53.52 N ATOM 733 HE22 GLN A 335 -6.213 5.220 -1.528 1.00 0.00 H ATOM 734 HE21 GLN A 335 -7.335 6.490 -2.138 1.00 0.00 H ATOM 735 H GLN A 335 -1.291 9.447 -1.150 1.00 0.00 H ATOM 736 N TYR A 336 -0.230 6.884 -2.967 1.00 38.46 N ATOM 737 CA TYR A 336 0.362 6.084 -4.058 1.00 38.11 C ATOM 738 C TYR A 336 1.045 4.801 -3.551 1.00 43.15 C ATOM 739 O TYR A 336 0.817 3.732 -4.117 1.00 41.97 O ATOM 740 CB TYR A 336 1.335 6.921 -4.926 1.00 38.79 C ATOM 741 CG TYR A 336 1.808 6.175 -6.158 1.00 38.57 C ATOM 742 CD1 TYR A 336 0.970 6.008 -7.262 1.00 37.41 C ATOM 743 CD2 TYR A 336 3.075 5.594 -6.204 1.00 41.08 C ATOM 744 CE1 TYR A 336 1.389 5.303 -8.389 1.00 37.22 C ATOM 745 CE2 TYR A 336 3.500 4.876 -7.322 1.00 41.98 C ATOM 746 CZ TYR A 336 2.646 4.717 -8.405 1.00 44.90 C ATOM 747 OH TYR A 336 3.048 4.003 -9.505 1.00 42.42 O ATOM 748 HH TYR A 336 2.319 3.992 -10.175 1.00 0.00 H ATOM 749 H TYR A 336 -0.011 7.900 -2.926 1.00 0.00 H ATOM 750 N GLU A 337 1.828 4.903 -2.460 1.00 43.03 N ATOM 751 CA GLU A 337 2.527 3.761 -1.843 1.00 45.56 C ATOM 752 C GLU A 337 1.552 2.666 -1.387 1.00 51.04 C ATOM 753 O GLU A 337 1.843 1.477 -1.541 1.00 52.15 O ATOM 754 CB GLU A 337 3.385 4.245 -0.676 1.00 49.44 C ATOM 755 CG GLU A 337 4.545 3.328 -0.346 1.00 67.79 C ATOM 756 CD GLU A 337 5.485 3.879 0.708 1.00 91.18 C ATOM 757 OE1 GLU A 337 4.994 4.405 1.734 1.00 73.74 O ATOM 758 OE2 GLU A 337 6.717 3.784 0.506 1.00 93.41 O ATOM 759 H GLU A 337 1.946 5.842 -2.028 1.00 0.00 H ATOM 760 N GLU A 338 0.377 3.076 -0.870 1.00 48.53 N ATOM 761 CA GLU A 338 -0.686 2.172 -0.415 1.00 49.99 C ATOM 762 C GLU A 338 -1.323 1.444 -1.594 1.00 53.21 C ATOM 763 O GLU A 338 -1.757 0.300 -1.446 1.00 55.14 O ATOM 764 CB GLU A 338 -1.751 2.943 0.372 1.00 51.34 C ATOM 765 CG GLU A 338 -1.326 3.294 1.788 1.00 63.83 C ATOM 766 CD GLU A 338 -1.799 4.639 2.304 1.00 90.38 C ATOM 767 OE1 GLU A 338 -1.022 5.287 3.042 1.00 89.37 O ATOM 768 OE2 GLU A 338 -2.937 5.050 1.975 1.00 84.24 O ATOM 769 H GLU A 338 0.213 4.100 -0.788 1.00 0.00 H ATOM 770 N LEU A 339 -1.357 2.101 -2.767 1.00 45.89 N ATOM 771 CA LEU A 339 -1.909 1.527 -3.993 1.00 44.14 C ATOM 772 C LEU A 339 -1.003 0.444 -4.573 1.00 50.05 C ATOM 773 O LEU A 339 -1.513 -0.603 -4.979 1.00 48.47 O ATOM 774 CB LEU A 339 -2.217 2.615 -5.026 1.00 41.29 C ATOM 775 CG LEU A 339 -3.256 3.652 -4.594 1.00 44.39 C ATOM 776 CD1 LEU A 339 -3.323 4.781 -5.571 1.00 42.43 C ATOM 777 CD2 LEU A 339 -4.633 3.032 -4.423 1.00 48.68 C ATOM 778 H LEU A 339 -0.971 3.066 -2.804 1.00 0.00 H ATOM 779 N LEU A 340 0.330 0.676 -4.582 1.00 49.17 N ATOM 780 CA LEU A 340 1.314 -0.304 -5.069 1.00 52.36 C ATOM 781 C LEU A 340 1.229 -1.598 -4.251 1.00 59.78 C ATOM 782 O LEU A 340 1.232 -2.692 -4.826 1.00 60.59 O ATOM 783 CB LEU A 340 2.752 0.243 -4.975 1.00 54.12 C ATOM 784 CG LEU A 340 3.141 1.457 -5.828 1.00 57.85 C ATOM 785 CD1 LEU A 340 4.536 1.931 -5.450 1.00 59.65 C ATOM 786 CD2 LEU A 340 3.084 1.140 -7.325 1.00 59.27 C ATOM 787 H LEU A 340 0.676 1.591 -4.228 1.00 0.00 H ATOM 788 N ALA A 341 1.114 -1.450 -2.908 1.00 57.01 N ATOM 789 CA ALA A 341 1.013 -2.529 -1.925 1.00 59.36 C ATOM 790 C ALA A 341 -0.182 -3.469 -2.144 1.00 62.60 C ATOM 791 O ALA A 341 -0.098 -4.634 -1.755 1.00 65.01 O ATOM 792 CB ALA A 341 0.981 -1.947 -0.517 1.00 61.54 C ATOM 793 H ALA A 341 1.096 -0.477 -2.542 1.00 0.00 H ATOM 794 N GLU A 342 -1.273 -2.979 -2.778 1.00 55.76 N ATOM 795 CA GLU A 342 -2.482 -3.760 -3.082 1.00 79.42 C ATOM 796 C GLU A 342 -2.173 -4.917 -4.034 1.00110.32 C ATOM 797 O GLU A 342 -2.868 -5.930 -4.018 1.00 78.61 O ATOM 798 CB GLU A 342 -3.577 -2.873 -3.696 1.00 77.83 C ATOM 799 CG GLU A 342 -4.248 -1.917 -2.724 1.00 87.37 C ATOM 800 CD GLU A 342 -5.353 -1.049 -3.302 1.00104.44 C ATOM 801 OE1 GLU A 342 -5.962 -1.442 -4.324 1.00 89.84 O ATOM 802 OE2 GLU A 342 -5.620 0.025 -2.717 1.00102.02 O ATOM 803 H GLU A 342 -1.255 -1.981 -3.070 1.00 0.00 H TER 804 GLU A 342 ATOM 805 N GLN A 354 12.861 -10.759 -1.464 1.00 99.95 N ATOM 806 CA GLN A 354 13.156 -9.337 -1.628 1.00 96.74 C ATOM 807 C GLN A 354 11.930 -8.574 -2.083 1.00 95.97 C ATOM 808 O GLN A 354 11.016 -9.163 -2.668 1.00 95.09 O ATOM 809 CB GLN A 354 14.263 -9.123 -2.675 1.00 98.35 C ATOM 810 CG GLN A 354 15.677 -9.454 -2.213 1.00111.11 C ATOM 811 CD GLN A 354 16.715 -9.052 -3.238 1.00123.69 C ATOM 812 OE1 GLN A 354 17.553 -8.178 -2.997 1.00117.01 O ATOM 813 NE2 GLN A 354 16.693 -9.684 -4.406 1.00114.82 N ATOM 814 HE22 GLN A 354 15.978 -10.417 -4.587 1.00 0.00 H ATOM 815 HE21 GLN A 354 17.391 -9.446 -5.139 1.00 0.00 H ATOM 816 HN3 GLN A 354 12.542 -11.153 -2.372 1.00 0.00 H ATOM 817 HN2 GLN A 354 12.112 -10.877 -0.752 1.00 0.00 H ATOM 818 HN1 GLN A 354 13.719 -11.256 -1.152 1.00 0.00 H ATOM 819 N LYS A 355 11.930 -7.248 -1.859 1.00 89.25 N ATOM 820 CA LYS A 355 10.866 -6.367 -2.316 1.00 84.29 C ATOM 821 C LYS A 355 11.117 -6.056 -3.786 1.00 83.71 C ATOM 822 O LYS A 355 12.266 -5.832 -4.182 1.00 84.19 O ATOM 823 CB LYS A 355 10.831 -5.070 -1.496 1.00 86.37 C ATOM 824 CG LYS A 355 9.976 -5.166 -0.240 1.00106.84 C ATOM 825 CD LYS A 355 9.908 -3.831 0.493 1.00117.01 C ATOM 826 CE LYS A 355 10.873 -3.771 1.650 1.00130.89 C ATOM 827 NZ LYS A 355 11.053 -2.381 2.137 1.00140.15 N ATOM 828 HZ1 LYS A 355 11.425 -1.790 1.366 1.00 0.00 H ATOM 829 HZ2 LYS A 355 10.136 -2.004 2.452 1.00 0.00 H ATOM 830 HZ3 LYS A 355 11.723 -2.378 2.933 1.00 0.00 H ATOM 831 H LYS A 355 12.727 -6.833 -1.335 1.00 0.00 H ATOM 832 N ILE A 356 10.049 -6.072 -4.595 1.00 76.22 N ATOM 833 CA ILE A 356 10.128 -5.807 -6.031 1.00 73.88 C ATOM 834 C ILE A 356 9.347 -4.564 -6.401 1.00 72.96 C ATOM 835 O ILE A 356 8.138 -4.484 -6.157 1.00 71.09 O ATOM 836 CB ILE A 356 9.737 -7.034 -6.912 1.00 77.43 C ATOM 837 CG1 ILE A 356 10.579 -8.282 -6.561 1.00 81.80 C ATOM 838 CG2 ILE A 356 9.877 -6.683 -8.393 1.00 76.18 C ATOM 839 CD1 ILE A 356 9.985 -9.654 -7.032 1.00 91.21 C ATOM 840 H ILE A 356 9.118 -6.283 -4.181 1.00 0.00 H ATOM 841 N ARG A 357 10.039 -3.601 -7.013 1.00 67.58 N ATOM 842 CA ARG A 357 9.429 -2.357 -7.463 1.00 63.91 C ATOM 843 C ARG A 357 9.741 -2.110 -8.929 1.00 62.35 C ATOM 844 O ARG A 357 10.884 -2.279 -9.367 1.00 63.38 O ATOM 845 CB ARG A 357 9.865 -1.171 -6.580 1.00 67.05 C ATOM 846 CG ARG A 357 9.085 -1.083 -5.268 1.00 84.92 C ATOM 847 CD ARG A 357 9.505 0.103 -4.415 1.00102.74 C ATOM 848 NE ARG A 357 9.276 -0.148 -2.989 1.00116.46 N ATOM 849 CZ ARG A 357 9.766 0.597 -2.000 1.00132.20 C ATOM 850 NH1 ARG A 357 10.524 1.654 -2.267 1.00120.12 N ATOM 851 NH2 ARG A 357 9.506 0.286 -0.737 1.00119.63 N ATOM 852 HE ARG A 357 8.689 -0.967 -2.731 1.00 0.00 H ATOM 853 HH12 ARG A 357 10.903 2.231 -1.490 1.00 0.00 H ATOM 854 HH11 ARG A 357 10.738 1.904 -3.253 1.00 0.00 H ATOM 855 HH22 ARG A 357 9.891 0.871 0.032 1.00 0.00 H ATOM 856 HH21 ARG A 357 8.917 -0.542 -0.516 1.00 0.00 H ATOM 857 H ARG A 357 11.056 -3.745 -7.175 1.00 0.00 H ATOM 858 N LYS A 358 8.712 -1.743 -9.691 1.00 54.06 N ATOM 859 CA LYS A 358 8.854 -1.419 -11.102 1.00 52.66 C ATOM 860 C LYS A 358 9.607 -0.095 -11.224 1.00 56.49 C ATOM 861 O LYS A 358 9.449 0.758 -10.340 1.00 55.15 O ATOM 862 CB LYS A 358 7.489 -1.323 -11.779 1.00 52.41 C ATOM 863 CG LYS A 358 6.837 -2.669 -12.037 1.00 53.97 C ATOM 864 CD LYS A 358 5.475 -2.437 -12.641 1.00 54.46 C ATOM 865 CE LYS A 358 4.865 -3.689 -13.216 1.00 54.27 C ATOM 866 NZ LYS A 358 3.633 -3.364 -13.968 1.00 48.35 N ATOM 867 HZ1 LYS A 358 2.947 -2.915 -13.329 1.00 0.00 H ATOM 868 HZ2 LYS A 358 3.864 -2.712 -14.744 1.00 0.00 H ATOM 869 HZ3 LYS A 358 3.225 -4.238 -14.358 1.00 0.00 H ATOM 870 H LYS A 358 7.768 -1.686 -9.259 1.00 0.00 H ATOM 871 N PRO A 359 10.478 0.101 -12.248 1.00 53.86 N ATOM 872 CA PRO A 359 11.176 1.389 -12.352 1.00 53.26 C ATOM 873 C PRO A 359 10.194 2.475 -12.786 1.00 54.07 C ATOM 874 O PRO A 359 9.084 2.174 -13.256 1.00 49.41 O ATOM 875 CB PRO A 359 12.256 1.128 -13.402 1.00 57.66 C ATOM 876 CG PRO A 359 11.683 0.074 -14.260 1.00 62.64 C ATOM 877 CD PRO A 359 10.815 -0.784 -13.382 1.00 57.32 C ATOM 878 N ARG A 360 10.596 3.730 -12.588 1.00 52.76 N ATOM 879 CA ARG A 360 9.777 4.885 -12.923 1.00 51.68 C ATOM 880 C ARG A 360 10.401 5.666 -14.102 1.00 56.94 C ATOM 881 O ARG A 360 11.243 6.531 -13.864 1.00 57.09 O ATOM 882 CB ARG A 360 9.558 5.768 -11.677 1.00 53.15 C ATOM 883 CG ARG A 360 8.616 5.161 -10.629 1.00 62.20 C ATOM 884 CD ARG A 360 7.736 6.217 -9.964 1.00 73.30 C ATOM 885 NE ARG A 360 6.612 6.603 -10.825 1.00 80.09 N ATOM 886 CZ ARG A 360 5.518 7.240 -10.412 1.00 88.03 C ATOM 887 NH1 ARG A 360 4.557 7.544 -11.273 1.00 62.43 N ATOM 888 NH2 ARG A 360 5.380 7.581 -9.134 1.00 74.97 N ATOM 889 HE ARG A 360 6.675 6.361 -11.834 1.00 0.00 H ATOM 890 HH12 ARG A 360 3.704 8.042 -10.946 1.00 0.00 H ATOM 891 HH11 ARG A 360 4.656 7.285 -12.275 1.00 0.00 H ATOM 892 HH22 ARG A 360 4.523 8.078 -8.818 1.00 0.00 H ATOM 893 HH21 ARG A 360 6.129 7.350 -8.450 1.00 0.00 H ATOM 894 H ARG A 360 11.537 3.891 -12.176 1.00 0.00 H ATOM 895 N PRO A 361 9.993 5.374 -15.372 1.00 54.97 N ATOM 896 CA PRO A 361 10.531 6.130 -16.527 1.00 57.09 C ATOM 897 C PRO A 361 10.363 7.644 -16.345 1.00 59.25 C ATOM 898 O PRO A 361 9.260 8.103 -16.031 1.00 55.00 O ATOM 899 CB PRO A 361 9.711 5.599 -17.716 1.00 58.34 C ATOM 900 CG PRO A 361 8.515 4.943 -17.113 1.00 59.77 C ATOM 901 CD PRO A 361 8.990 4.384 -15.811 1.00 55.37 C ATOM 902 N GLN A 362 11.482 8.395 -16.471 1.00 58.65 N ATOM 903 CA GLN A 362 11.596 9.841 -16.225 1.00 58.45 C ATOM 904 C GLN A 362 10.524 10.707 -16.908 1.00 60.36 C ATOM 905 O GLN A 362 9.939 11.556 -16.237 1.00 56.09 O ATOM 906 CB GLN A 362 13.012 10.380 -16.539 1.00 63.66 C ATOM 907 CG GLN A 362 13.528 10.156 -17.966 1.00 84.27 C ATOM 908 CD GLN A 362 14.844 10.857 -18.259 1.00104.41 C ATOM 909 OE1 GLN A 362 15.518 11.404 -17.373 1.00 98.11 O ATOM 910 NE2 GLN A 362 15.242 10.851 -19.524 1.00 97.31 N ATOM 911 HE22 GLN A 362 14.660 10.386 -20.250 1.00 0.00 H ATOM 912 HE21 GLN A 362 16.136 11.311 -19.790 1.00 0.00 H ATOM 913 H GLN A 362 12.347 7.901 -16.771 1.00 0.00 H ATOM 914 N ARG A 363 10.257 10.484 -18.213 1.00 58.80 N ATOM 915 CA ARG A 363 9.268 11.255 -18.980 1.00 57.03 C ATOM 916 C ARG A 363 7.859 11.060 -18.450 1.00 56.04 C ATOM 917 O ARG A 363 7.158 12.049 -18.236 1.00 55.15 O ATOM 918 CB ARG A 363 9.373 10.970 -20.490 1.00 60.41 C ATOM 919 CG ARG A 363 10.699 11.461 -21.079 1.00 78.77 C ATOM 920 CD ARG A 363 10.888 11.088 -22.536 1.00 94.79 C ATOM 921 NE ARG A 363 12.235 11.425 -23.005 1.00107.99 N ATOM 922 CZ ARG A 363 13.258 10.574 -23.031 1.00126.28 C ATOM 923 NH1 ARG A 363 13.099 9.319 -22.624 1.00112.64 N ATOM 924 NH2 ARG A 363 14.445 10.968 -23.471 1.00118.71 N ATOM 925 HE ARG A 363 12.403 12.395 -23.340 1.00 0.00 H ATOM 926 HH12 ARG A 363 13.903 8.659 -22.647 1.00 0.00 H ATOM 927 HH11 ARG A 363 12.171 8.997 -22.283 1.00 0.00 H ATOM 928 HH22 ARG A 363 15.241 10.299 -23.489 1.00 0.00 H ATOM 929 HH21 ARG A 363 14.580 11.946 -23.798 1.00 0.00 H ATOM 930 H ARG A 363 10.778 9.728 -18.701 1.00 0.00 H ATOM 931 N GLU A 364 7.467 9.795 -18.174 1.00 49.37 N ATOM 932 CA GLU A 364 6.160 9.451 -17.618 1.00 44.42 C ATOM 933 C GLU A 364 6.015 10.028 -16.205 1.00 44.85 C ATOM 934 O GLU A 364 4.962 10.584 -15.874 1.00 41.12 O ATOM 935 CB GLU A 364 5.946 7.932 -17.613 1.00 45.10 C ATOM 936 CG GLU A 364 4.548 7.537 -17.172 1.00 48.87 C ATOM 937 CD GLU A 364 4.362 6.046 -17.010 1.00 60.89 C ATOM 938 OE1 GLU A 364 3.861 5.410 -17.962 1.00 55.67 O ATOM 939 OE2 GLU A 364 4.734 5.510 -15.942 1.00 53.51 O ATOM 940 H GLU A 364 8.135 9.022 -18.369 1.00 0.00 H ATOM 941 N ARG A 365 7.087 9.917 -15.396 1.00 43.69 N ATOM 942 CA ARG A 365 7.158 10.447 -14.032 1.00 42.81 C ATOM 943 C ARG A 365 6.898 11.962 -14.015 1.00 44.20 C ATOM 944 O ARG A 365 6.160 12.426 -13.146 1.00 38.22 O ATOM 945 CB ARG A 365 8.519 10.107 -13.373 1.00 44.56 C ATOM 946 CG ARG A 365 8.700 10.608 -11.931 1.00 55.28 C ATOM 947 CD ARG A 365 7.614 10.101 -10.992 1.00 64.88 C ATOM 948 NE ARG A 365 7.466 10.938 -9.801 1.00 68.83 N ATOM 949 CZ ARG A 365 8.111 10.732 -8.658 1.00 80.84 C ATOM 950 NH1 ARG A 365 7.908 11.534 -7.622 1.00 66.88 N ATOM 951 NH2 ARG A 365 8.963 9.718 -8.540 1.00 63.11 N ATOM 952 HE ARG A 365 6.814 11.746 -9.853 1.00 0.00 H ATOM 953 HH12 ARG A 365 8.415 11.369 -6.729 1.00 0.00 H ATOM 954 HH11 ARG A 365 7.242 12.328 -7.702 1.00 0.00 H ATOM 955 HH22 ARG A 365 9.465 9.562 -7.642 1.00 0.00 H ATOM 956 HH21 ARG A 365 9.128 9.081 -9.345 1.00 0.00 H ATOM 957 H ARG A 365 7.923 9.420 -15.766 1.00 0.00 H ATOM 958 N ALA A 366 7.522 12.715 -14.958 1.00 44.12 N ATOM 959 CA ALA A 366 7.356 14.165 -15.085 1.00 44.75 C ATOM 960 C ALA A 366 5.885 14.529 -15.347 1.00 45.24 C ATOM 961 O ALA A 366 5.364 15.419 -14.676 1.00 43.25 O ATOM 962 CB ALA A 366 8.256 14.713 -16.189 1.00 48.54 C ATOM 963 H ALA A 366 8.154 12.234 -15.629 1.00 0.00 H ATOM 964 N GLN A 367 5.197 13.788 -16.255 1.00 41.16 N ATOM 965 CA GLN A 367 3.778 14.009 -16.558 1.00 39.20 C ATOM 966 C GLN A 367 2.904 13.644 -15.348 1.00 37.86 C ATOM 967 O GLN A 367 1.915 14.329 -15.077 1.00 35.08 O ATOM 968 CB GLN A 367 3.350 13.200 -17.789 1.00 41.31 C ATOM 969 CG GLN A 367 3.813 13.802 -19.118 1.00 57.50 C ATOM 970 CD GLN A 367 2.636 14.367 -19.884 1.00 79.41 C ATOM 971 OE1 GLN A 367 1.909 15.255 -19.408 1.00 70.30 O ATOM 972 NE2 GLN A 367 2.414 13.854 -21.089 1.00 75.51 N ATOM 973 HE22 GLN A 367 3.040 13.111 -21.461 1.00 0.00 H ATOM 974 HE21 GLN A 367 1.614 14.195 -21.660 1.00 0.00 H ATOM 975 H GLN A 367 5.699 13.029 -16.758 1.00 0.00 H ATOM 976 N TRP A 368 3.276 12.560 -14.624 1.00 33.83 N ATOM 977 CA TRP A 368 2.552 12.098 -13.427 1.00 31.27 C ATOM 978 C TRP A 368 2.686 13.167 -12.320 1.00 33.02 C ATOM 979 O TRP A 368 1.688 13.513 -11.686 1.00 30.29 O ATOM 980 CB TRP A 368 3.090 10.725 -12.976 1.00 30.62 C ATOM 981 CG TRP A 368 2.362 10.104 -11.823 1.00 29.71 C ATOM 982 CD1 TRP A 368 1.298 9.252 -11.887 1.00 30.80 C ATOM 983 CD2 TRP A 368 2.677 10.255 -10.432 1.00 30.14 C ATOM 984 NE1 TRP A 368 0.948 8.840 -10.624 1.00 29.79 N ATOM 985 CE2 TRP A 368 1.797 9.418 -9.712 1.00 32.63 C ATOM 986 CE3 TRP A 368 3.703 10.922 -9.729 1.00 33.11 C ATOM 987 CZ2 TRP A 368 1.844 9.305 -8.313 1.00 32.81 C ATOM 988 CZ3 TRP A 368 3.740 10.826 -8.342 1.00 34.92 C ATOM 989 CH2 TRP A 368 2.836 10.004 -7.649 1.00 34.44 C ATOM 990 HE1 TRP A 368 0.166 8.194 -10.395 1.00 0.00 H ATOM 991 H TRP A 368 4.115 12.027 -14.929 1.00 0.00 H ATOM 992 N ASP A 369 3.897 13.726 -12.145 1.00 30.73 N ATOM 993 CA ASP A 369 4.164 14.798 -11.184 1.00 31.17 C ATOM 994 C ASP A 369 3.284 16.012 -11.487 1.00 35.08 C ATOM 995 O ASP A 369 2.768 16.624 -10.551 1.00 34.39 O ATOM 996 CB ASP A 369 5.648 15.214 -11.212 1.00 34.98 C ATOM 997 CG ASP A 369 6.574 14.264 -10.477 1.00 43.41 C ATOM 998 OD1 ASP A 369 6.067 13.375 -9.758 1.00 40.57 O ATOM 999 OD2 ASP A 369 7.811 14.412 -10.615 1.00 46.78 O ATOM 1000 H ASP A 369 4.687 13.377 -12.724 1.00 0.00 H ATOM 1001 N ILE A 370 3.138 16.365 -12.789 1.00 32.62 N ATOM 1002 CA ILE A 370 2.291 17.489 -13.222 1.00 33.60 C ATOM 1003 C ILE A 370 0.831 17.188 -12.859 1.00 32.37 C ATOM 1004 O ILE A 370 0.152 18.056 -12.299 1.00 30.17 O ATOM 1005 CB ILE A 370 2.510 17.875 -14.716 1.00 38.44 C ATOM 1006 CG1 ILE A 370 3.905 18.534 -14.902 1.00 42.61 C ATOM 1007 CG2 ILE A 370 1.405 18.832 -15.234 1.00 40.26 C ATOM 1008 CD1 ILE A 370 4.574 18.202 -16.228 1.00 56.62 C ATOM 1009 H ILE A 370 3.646 15.818 -13.513 1.00 0.00 H ATOM 1010 N GLY A 371 0.372 15.952 -13.147 1.00 29.11 N ATOM 1011 CA GLY A 371 -0.988 15.534 -12.805 1.00 26.35 C ATOM 1012 C GLY A 371 -1.253 15.604 -11.312 1.00 28.48 C ATOM 1013 O GLY A 371 -2.290 16.111 -10.879 1.00 28.88 O ATOM 1014 H GLY A 371 1.003 15.278 -13.626 1.00 0.00 H ATOM 1015 N ILE A 372 -0.295 15.122 -10.511 1.00 27.31 N ATOM 1016 CA ILE A 372 -0.383 15.180 -9.049 1.00 26.90 C ATOM 1017 C ILE A 372 -0.466 16.636 -8.546 1.00 30.38 C ATOM 1018 O ILE A 372 -1.251 16.913 -7.647 1.00 28.93 O ATOM 1019 CB ILE A 372 0.796 14.396 -8.411 1.00 30.48 C ATOM 1020 CG1 ILE A 372 0.633 12.865 -8.641 1.00 28.97 C ATOM 1021 CG2 ILE A 372 1.002 14.750 -6.933 1.00 33.06 C ATOM 1022 CD1 ILE A 372 -0.552 12.188 -7.940 1.00 31.57 C ATOM 1023 H ILE A 372 0.546 14.689 -10.943 1.00 0.00 H ATOM 1024 N ALA A 373 0.340 17.551 -9.113 1.00 29.51 N ATOM 1025 CA ALA A 373 0.333 18.955 -8.689 1.00 30.85 C ATOM 1026 C ALA A 373 -1.088 19.547 -8.894 1.00 32.39 C ATOM 1027 O ALA A 373 -1.598 20.246 -8.019 1.00 31.30 O ATOM 1028 CB ALA A 373 1.377 19.749 -9.470 1.00 33.14 C ATOM 1029 H ALA A 373 0.986 17.255 -9.873 1.00 0.00 H ATOM 1030 N HIS A 374 -1.739 19.205 -10.015 1.00 28.44 N ATOM 1031 CA HIS A 374 -3.115 19.643 -10.288 1.00 27.64 C ATOM 1032 C HIS A 374 -4.098 19.025 -9.284 1.00 28.51 C ATOM 1033 O HIS A 374 -4.966 19.729 -8.768 1.00 28.91 O ATOM 1034 CB HIS A 374 -3.548 19.292 -11.718 1.00 27.24 C ATOM 1035 CG HIS A 374 -2.974 20.180 -12.770 1.00 32.14 C ATOM 1036 ND1 HIS A 374 -3.398 21.492 -12.920 1.00 35.19 N ATOM 1037 CD2 HIS A 374 -2.091 19.890 -13.752 1.00 34.74 C ATOM 1038 CE1 HIS A 374 -2.732 21.963 -13.960 1.00 36.45 C ATOM 1039 NE2 HIS A 374 -1.924 21.039 -14.486 1.00 36.44 N ATOM 1040 H HIS A 374 -1.253 18.609 -10.716 1.00 0.00 H ATOM 1041 N ALA A 375 -3.972 17.727 -9.012 1.00 26.24 N ATOM 1042 CA ALA A 375 -4.859 17.014 -8.085 1.00 25.53 C ATOM 1043 C ALA A 375 -4.716 17.566 -6.658 1.00 29.33 C ATOM 1044 O ALA A 375 -5.720 17.744 -5.965 1.00 28.73 O ATOM 1045 CB ALA A 375 -4.552 15.518 -8.116 1.00 25.68 C ATOM 1046 H ALA A 375 -3.210 17.194 -9.478 1.00 0.00 H ATOM 1047 N GLU A 376 -3.475 17.897 -6.246 1.00 27.52 N ATOM 1048 CA GLU A 376 -3.202 18.486 -4.932 1.00 30.06 C ATOM 1049 C GLU A 376 -3.877 19.849 -4.806 1.00 35.40 C ATOM 1050 O GLU A 376 -4.499 20.132 -3.781 1.00 35.25 O ATOM 1051 CB GLU A 376 -1.692 18.540 -4.650 1.00 32.28 C ATOM 1052 CG GLU A 376 -1.107 17.167 -4.329 1.00 37.42 C ATOM 1053 CD GLU A 376 -1.738 16.491 -3.127 1.00 43.05 C ATOM 1054 OE1 GLU A 376 -1.815 17.133 -2.053 1.00 41.65 O ATOM 1055 OE2 GLU A 376 -2.185 15.331 -3.268 1.00 34.46 O ATOM 1056 H GLU A 376 -2.676 17.727 -6.890 1.00 0.00 H ATOM 1057 N LYS A 377 -3.864 20.646 -5.894 1.00 32.63 N ATOM 1058 CA LYS A 377 -4.572 21.937 -5.914 1.00 32.95 C ATOM 1059 C LYS A 377 -6.101 21.730 -5.876 1.00 34.39 C ATOM 1060 O LYS A 377 -6.798 22.449 -5.160 1.00 34.71 O ATOM 1061 CB LYS A 377 -4.196 22.747 -7.154 1.00 36.27 C ATOM 1062 CG LYS A 377 -2.798 23.320 -7.053 1.00 45.33 C ATOM 1063 CD LYS A 377 -2.624 24.607 -7.838 1.00 56.60 C ATOM 1064 CE LYS A 377 -1.229 25.150 -7.607 1.00 65.44 C ATOM 1065 NZ LYS A 377 -1.031 26.473 -8.262 1.00 75.17 N ATOM 1066 HZ1 LYS A 377 -1.177 26.376 -9.287 1.00 0.00 H ATOM 1067 HZ2 LYS A 377 -1.714 27.155 -7.876 1.00 0.00 H ATOM 1068 HZ3 LYS A 377 -0.064 26.808 -8.079 1.00 0.00 H ATOM 1069 H LYS A 377 -3.341 20.341 -6.740 1.00 0.00 H ATOM 1070 N ALA A 378 -6.610 20.760 -6.657 1.00 28.45 N ATOM 1071 CA ALA A 378 -8.033 20.402 -6.738 1.00 28.27 C ATOM 1072 C ALA A 378 -8.582 19.919 -5.377 1.00 33.85 C ATOM 1073 O ALA A 378 -9.722 20.205 -5.046 1.00 33.23 O ATOM 1074 CB ALA A 378 -8.248 19.338 -7.796 1.00 26.68 C ATOM 1075 H ALA A 378 -5.945 20.222 -7.249 1.00 0.00 H ATOM 1076 N LEU A 379 -7.752 19.241 -4.587 1.00 33.06 N ATOM 1077 CA LEU A 379 -8.097 18.716 -3.271 1.00 35.30 C ATOM 1078 C LEU A 379 -8.403 19.835 -2.261 1.00 41.73 C ATOM 1079 O LEU A 379 -9.219 19.632 -1.359 1.00 42.66 O ATOM 1080 CB LEU A 379 -6.946 17.828 -2.807 1.00 36.85 C ATOM 1081 CG LEU A 379 -7.154 16.902 -1.619 1.00 43.63 C ATOM 1082 CD1 LEU A 379 -8.224 15.846 -1.906 1.00 42.66 C ATOM 1083 CD2 LEU A 379 -5.851 16.232 -1.270 1.00 46.06 C ATOM 1084 H LEU A 379 -6.786 19.073 -4.934 1.00 0.00 H ATOM 1085 N LYS A 380 -7.806 21.032 -2.475 1.00 37.72 N ATOM 1086 CA LYS A 380 -7.998 22.230 -1.655 1.00 40.46 C ATOM 1087 C LYS A 380 -9.225 23.047 -2.077 1.00 45.65 C ATOM 1088 O LYS A 380 -9.574 24.025 -1.411 1.00 48.75 O ATOM 1089 CB LYS A 380 -6.728 23.095 -1.660 1.00 43.18 C ATOM 1090 CG LYS A 380 -5.556 22.424 -0.960 1.00 44.10 C ATOM 1091 CD LYS A 380 -4.269 23.217 -1.135 1.00 59.08 C ATOM 1092 CE LYS A 380 -3.082 22.474 -0.569 1.00 74.69 C ATOM 1093 NZ LYS A 380 -1.835 23.280 -0.637 1.00 86.78 N ATOM 1094 HZ1 LYS A 380 -1.629 23.514 -1.629 1.00 0.00 H ATOM 1095 HZ2 LYS A 380 -1.960 24.156 -0.091 1.00 0.00 H ATOM 1096 HZ3 LYS A 380 -1.047 22.731 -0.238 1.00 0.00 H ATOM 1097 H LYS A 380 -7.160 21.106 -3.286 1.00 0.00 H ATOM 1098 N MET A 381 -9.888 22.638 -3.169 1.00 39.63 N ATOM 1099 CA MET A 381 -11.087 23.298 -3.666 1.00 39.52 C ATOM 1100 C MET A 381 -12.317 22.495 -3.240 1.00 43.05 C ATOM 1101 O MET A 381 -12.207 21.311 -2.901 1.00 40.82 O ATOM 1102 CB MET A 381 -11.070 23.346 -5.209 1.00 40.26 C ATOM 1103 CG MET A 381 -9.938 24.114 -5.810 1.00 43.85 C ATOM 1104 SD MET A 381 -9.970 23.915 -7.599 1.00 46.42 S ATOM 1105 CE MET A 381 -8.362 24.547 -7.993 1.00 44.55 C ATOM 1106 H MET A 381 -9.528 21.810 -3.685 1.00 0.00 H ATOM 1107 N THR A 382 -13.502 23.120 -3.323 1.00 41.14 N ATOM 1108 CA THR A 382 -14.770 22.423 -3.086 1.00 40.87 C ATOM 1109 C THR A 382 -15.097 21.712 -4.417 1.00 42.70 C ATOM 1110 O THR A 382 -14.481 22.030 -5.443 1.00 39.74 O ATOM 1111 CB THR A 382 -15.899 23.421 -2.756 1.00 47.72 C ATOM 1112 OG1 THR A 382 -16.079 24.286 -3.877 1.00 43.60 O ATOM 1113 CG2 THR A 382 -15.633 24.239 -1.478 1.00 50.67 C ATOM 1114 HG1 THR A 382 -16.802 24.933 -3.680 1.00 0.00 H ATOM 1115 H THR A 382 -13.521 24.132 -3.563 1.00 0.00 H ATOM 1116 N ARG A 383 -16.071 20.775 -4.405 1.00 40.63 N ATOM 1117 CA ARG A 383 -16.527 20.040 -5.588 1.00 38.08 C ATOM 1118 C ARG A 383 -16.915 21.013 -6.711 1.00 40.23 C ATOM 1119 O ARG A 383 -16.424 20.862 -7.827 1.00 36.29 O ATOM 1120 CB ARG A 383 -17.735 19.163 -5.230 1.00 41.01 C ATOM 1121 CG ARG A 383 -18.062 18.079 -6.250 1.00 48.72 C ATOM 1122 CD ARG A 383 -17.615 16.662 -5.868 1.00 62.77 C ATOM 1123 NE ARG A 383 -17.571 16.399 -4.425 1.00 83.37 N ATOM 1124 CZ ARG A 383 -18.631 16.133 -3.666 1.00104.21 C ATOM 1125 NH1 ARG A 383 -18.486 15.921 -2.365 1.00 93.14 N ATOM 1126 NH2 ARG A 383 -19.847 16.113 -4.196 1.00 94.92 N ATOM 1127 HE ARG A 383 -16.641 16.422 -3.960 1.00 0.00 H ATOM 1128 HH12 ARG A 383 -19.318 15.713 -1.776 1.00 0.00 H ATOM 1129 HH11 ARG A 383 -17.541 15.962 -1.934 1.00 0.00 H ATOM 1130 HH22 ARG A 383 -20.672 15.904 -3.598 1.00 0.00 H ATOM 1131 HH21 ARG A 383 -19.976 16.306 -5.210 1.00 0.00 H ATOM 1132 H ARG A 383 -16.527 20.561 -3.495 1.00 0.00 H ATOM 1133 N GLU A 384 -17.800 22.007 -6.409 1.00 38.20 N ATOM 1134 CA GLU A 384 -18.267 23.009 -7.375 1.00 38.93 C ATOM 1135 C GLU A 384 -17.097 23.742 -8.024 1.00 42.70 C ATOM 1136 O GLU A 384 -17.054 23.833 -9.247 1.00 42.08 O ATOM 1137 CB GLU A 384 -19.249 24.014 -6.718 1.00 43.16 C ATOM 1138 CG GLU A 384 -20.556 23.378 -6.267 1.00 56.34 C ATOM 1139 CD GLU A 384 -21.730 24.321 -6.066 1.00 81.38 C ATOM 1140 OE1 GLU A 384 -21.508 25.492 -5.678 1.00 75.31 O ATOM 1141 OE2 GLU A 384 -22.880 23.882 -6.293 1.00 76.43 O ATOM 1142 H GLU A 384 -18.165 22.058 -5.437 1.00 0.00 H ATOM 1143 N GLU A 385 -16.130 24.223 -7.208 1.00 39.91 N ATOM 1144 CA GLU A 385 -14.915 24.892 -7.677 1.00 39.23 C ATOM 1145 C GLU A 385 -14.094 23.992 -8.603 1.00 39.15 C ATOM 1146 O GLU A 385 -13.641 24.461 -9.650 1.00 38.48 O ATOM 1147 CB GLU A 385 -14.026 25.269 -6.498 1.00 41.65 C ATOM 1148 CG GLU A 385 -14.378 26.585 -5.839 1.00 52.91 C ATOM 1149 CD GLU A 385 -13.331 26.950 -4.811 1.00 67.24 C ATOM 1150 OE1 GLU A 385 -12.767 28.062 -4.907 1.00 72.88 O ATOM 1151 OE2 GLU A 385 -13.044 26.103 -3.934 1.00 50.07 O ATOM 1152 H GLU A 385 -16.258 24.110 -6.182 1.00 0.00 H ATOM 1153 N ARG A 386 -13.870 22.714 -8.207 1.00 32.92 N ATOM 1154 CA ARG A 386 -13.092 21.782 -9.034 1.00 30.79 C ATOM 1155 C ARG A 386 -13.787 21.594 -10.374 1.00 31.73 C ATOM 1156 O ARG A 386 -13.119 21.534 -11.408 1.00 28.98 O ATOM 1157 CB ARG A 386 -12.978 20.393 -8.383 1.00 30.81 C ATOM 1158 CG ARG A 386 -12.077 20.310 -7.203 1.00 42.70 C ATOM 1159 CD ARG A 386 -11.815 18.862 -6.847 1.00 39.97 C ATOM 1160 NE ARG A 386 -12.960 18.191 -6.251 1.00 46.26 N ATOM 1161 CZ ARG A 386 -13.098 17.948 -4.959 1.00 60.88 C ATOM 1162 NH1 ARG A 386 -12.172 18.352 -4.099 1.00 50.35 N ATOM 1163 NH2 ARG A 386 -14.169 17.309 -4.511 1.00 56.58 N ATOM 1164 HE ARG A 386 -13.723 17.881 -6.886 1.00 0.00 H ATOM 1165 HH12 ARG A 386 -12.285 18.158 -3.084 1.00 0.00 H ATOM 1166 HH11 ARG A 386 -11.333 18.862 -4.440 1.00 0.00 H ATOM 1167 HH22 ARG A 386 -14.274 17.120 -3.494 1.00 0.00 H ATOM 1168 HH21 ARG A 386 -14.905 16.997 -5.177 1.00 0.00 H ATOM 1169 H ARG A 386 -14.257 22.387 -7.299 1.00 0.00 H ATOM 1170 N ILE A 387 -15.125 21.415 -10.337 1.00 29.66 N ATOM 1171 CA ILE A 387 -15.919 21.214 -11.562 1.00 29.10 C ATOM 1172 C ILE A 387 -15.721 22.412 -12.503 1.00 34.80 C ATOM 1173 O ILE A 387 -15.391 22.216 -13.669 1.00 33.32 O ATOM 1174 CB ILE A 387 -17.404 20.907 -11.232 1.00 31.81 C ATOM 1175 CG1 ILE A 387 -17.551 19.492 -10.626 1.00 30.10 C ATOM 1176 CG2 ILE A 387 -18.315 21.059 -12.464 1.00 32.74 C ATOM 1177 CD1 ILE A 387 -18.936 19.251 -9.826 1.00 33.18 C ATOM 1178 H ILE A 387 -15.609 21.419 -9.417 1.00 0.00 H ATOM 1179 N GLU A 388 -15.848 23.640 -11.972 1.00 33.98 N ATOM 1180 CA GLU A 388 -15.677 24.860 -12.758 1.00 36.30 C ATOM 1181 C GLU A 388 -14.257 24.971 -13.321 1.00 39.10 C ATOM 1182 O GLU A 388 -14.089 25.219 -14.513 1.00 39.07 O ATOM 1183 CB GLU A 388 -16.044 26.109 -11.921 1.00 40.41 C ATOM 1184 CG GLU A 388 -17.542 26.261 -11.671 1.00 61.03 C ATOM 1185 CD GLU A 388 -17.985 27.464 -10.852 1.00 95.58 C ATOM 1186 OE1 GLU A 388 -17.165 28.004 -10.073 1.00 97.13 O ATOM 1187 OE2 GLU A 388 -19.167 27.860 -10.983 1.00 89.76 O ATOM 1188 H GLU A 388 -16.077 23.725 -10.961 1.00 0.00 H ATOM 1189 N GLN A 389 -13.248 24.708 -12.479 1.00 34.68 N ATOM 1190 CA GLN A 389 -11.834 24.833 -12.795 1.00 34.65 C ATOM 1191 C GLN A 389 -11.280 23.827 -13.796 1.00 36.11 C ATOM 1192 O GLN A 389 -10.384 24.186 -14.562 1.00 35.62 O ATOM 1193 CB GLN A 389 -11.024 24.721 -11.490 1.00 36.68 C ATOM 1194 CG GLN A 389 -9.524 25.022 -11.605 1.00 48.75 C ATOM 1195 CD GLN A 389 -9.162 26.437 -11.218 1.00 59.90 C ATOM 1196 OE1 GLN A 389 -10.005 27.248 -10.827 1.00 53.76 O ATOM 1197 NE2 GLN A 389 -7.887 26.759 -11.327 1.00 50.87 N ATOM 1198 HE22 GLN A 389 -7.199 26.054 -11.660 1.00 0.00 H ATOM 1199 HE21 GLN A 389 -7.570 27.718 -11.080 1.00 0.00 H ATOM 1200 H GLN A 389 -13.497 24.388 -11.521 1.00 0.00 H ATOM 1201 N TYR A 390 -11.747 22.557 -13.739 1.00 29.78 N ATOM 1202 CA TYR A 390 -11.126 21.476 -14.486 1.00 28.38 C ATOM 1203 C TYR A 390 -11.960 20.788 -15.531 1.00 31.69 C ATOM 1204 O TYR A 390 -11.369 20.152 -16.403 1.00 31.63 O ATOM 1205 CB TYR A 390 -10.600 20.415 -13.498 1.00 27.96 C ATOM 1206 CG TYR A 390 -9.511 20.947 -12.587 1.00 30.15 C ATOM 1207 CD1 TYR A 390 -8.240 21.235 -13.079 1.00 31.77 C ATOM 1208 CD2 TYR A 390 -9.764 21.203 -11.243 1.00 32.10 C ATOM 1209 CE1 TYR A 390 -7.249 21.760 -12.254 1.00 32.77 C ATOM 1210 CE2 TYR A 390 -8.781 21.733 -10.412 1.00 34.14 C ATOM 1211 CZ TYR A 390 -7.522 21.996 -10.918 1.00 38.54 C ATOM 1212 OH TYR A 390 -6.554 22.508 -10.089 1.00 41.07 O ATOM 1213 HH TYR A 390 -5.717 22.638 -10.602 1.00 0.00 H ATOM 1214 H TYR A 390 -12.574 22.349 -13.143 1.00 0.00 H ATOM 1215 N THR A 391 -13.303 20.894 -15.490 1.00 28.35 N ATOM 1216 CA THR A 391 -14.091 20.171 -16.509 1.00 27.91 C ATOM 1217 C THR A 391 -13.680 20.559 -17.923 1.00 31.33 C ATOM 1218 O THR A 391 -13.678 21.756 -18.263 1.00 30.17 O ATOM 1219 CB THR A 391 -15.597 20.316 -16.298 1.00 32.82 C ATOM 1220 OG1 THR A 391 -15.893 19.931 -14.956 1.00 30.51 O ATOM 1221 CG2 THR A 391 -16.394 19.448 -17.262 1.00 29.48 C ATOM 1222 HG1 THR A 391 -15.401 20.519 -14.329 1.00 0.00 H ATOM 1223 H THR A 391 -13.772 21.469 -14.761 1.00 0.00 H ATOM 1224 N PHE A 392 -13.325 19.534 -18.741 1.00 27.82 N ATOM 1225 CA PHE A 392 -12.910 19.767 -20.124 1.00 29.79 C ATOM 1226 C PHE A 392 -14.036 20.324 -20.987 1.00 34.37 C ATOM 1227 O PHE A 392 -15.210 20.066 -20.735 1.00 31.94 O ATOM 1228 CB PHE A 392 -12.421 18.470 -20.781 1.00 30.75 C ATOM 1229 CG PHE A 392 -11.233 17.783 -20.160 1.00 30.58 C ATOM 1230 CD1 PHE A 392 -10.213 18.520 -19.561 1.00 34.53 C ATOM 1231 CD2 PHE A 392 -11.083 16.403 -20.254 1.00 31.11 C ATOM 1232 CE1 PHE A 392 -9.091 17.882 -19.022 1.00 34.16 C ATOM 1233 CE2 PHE A 392 -9.939 15.775 -19.754 1.00 31.93 C ATOM 1234 CZ PHE A 392 -8.962 16.515 -19.122 1.00 30.61 C ATOM 1235 H PHE A 392 -13.349 18.561 -18.375 1.00 0.00 H ATOM 1236 N ILE A 393 -13.639 21.032 -22.051 1.00 34.89 N ATOM 1237 CA ILE A 393 -14.479 21.560 -23.112 1.00 37.74 C ATOM 1238 C ILE A 393 -14.246 20.603 -24.288 1.00 40.59 C ATOM 1239 O ILE A 393 -13.094 20.337 -24.638 1.00 40.85 O ATOM 1240 CB ILE A 393 -14.068 23.016 -23.457 1.00 43.50 C ATOM 1241 CG1 ILE A 393 -14.234 23.975 -22.241 1.00 45.13 C ATOM 1242 CG2 ILE A 393 -14.774 23.531 -24.712 1.00 46.99 C ATOM 1243 CD1 ILE A 393 -15.684 24.269 -21.732 1.00 59.89 C ATOM 1244 H ILE A 393 -12.620 21.225 -22.126 1.00 0.00 H ATOM 1245 N TYR A 394 -15.323 20.032 -24.830 1.00 37.81 N ATOM 1246 CA TYR A 394 -15.240 19.085 -25.942 1.00 39.09 C ATOM 1247 C TYR A 394 -15.691 19.746 -27.213 1.00 46.95 C ATOM 1248 O TYR A 394 -16.766 20.346 -27.242 1.00 48.17 O ATOM 1249 CB TYR A 394 -16.055 17.816 -25.656 1.00 39.56 C ATOM 1250 CG TYR A 394 -15.499 17.019 -24.498 1.00 38.29 C ATOM 1251 CD1 TYR A 394 -14.454 16.117 -24.684 1.00 39.15 C ATOM 1252 CD2 TYR A 394 -15.969 17.215 -23.201 1.00 37.75 C ATOM 1253 CE1 TYR A 394 -13.913 15.409 -23.616 1.00 37.19 C ATOM 1254 CE2 TYR A 394 -15.465 16.479 -22.130 1.00 35.98 C ATOM 1255 CZ TYR A 394 -14.450 15.560 -22.346 1.00 41.83 C ATOM 1256 OH TYR A 394 -13.941 14.828 -21.297 1.00 35.68 O ATOM 1257 HH TYR A 394 -13.564 15.443 -20.619 1.00 0.00 H ATOM 1258 H TYR A 394 -16.260 20.270 -24.446 1.00 0.00 H ATOM 1259 N ILE A 395 -14.844 19.686 -28.250 1.00 46.14 N ATOM 1260 CA ILE A 395 -15.124 20.325 -29.545 1.00 48.52 C ATOM 1261 C ILE A 395 -15.239 19.277 -30.637 1.00 53.80 C ATOM 1262 O ILE A 395 -14.330 18.455 -30.802 1.00 53.45 O ATOM 1263 CB ILE A 395 -14.084 21.447 -29.882 1.00 53.45 C ATOM 1264 CG1 ILE A 395 -14.123 22.587 -28.843 1.00 53.43 C ATOM 1265 CG2 ILE A 395 -14.291 22.025 -31.289 1.00 57.36 C ATOM 1266 CD1 ILE A 395 -12.911 22.685 -28.004 1.00 61.23 C ATOM 1267 H ILE A 395 -13.951 19.166 -28.134 1.00 0.00 H ATOM 1268 N ASP A 396 -16.368 19.312 -31.374 1.00 52.38 N ATOM 1269 CA ASP A 396 -16.683 18.449 -32.516 1.00 73.51 C ATOM 1270 C ASP A 396 -15.914 18.937 -33.743 1.00104.98 C ATOM 1271 O ASP A 396 -14.841 18.427 -34.051 1.00 70.85 O ATOM 1272 CB ASP A 396 -18.194 18.485 -32.822 1.00 76.50 C ATOM 1273 CG ASP A 396 -19.093 18.036 -31.685 1.00 82.08 C ATOM 1274 OD1 ASP A 396 -18.875 16.920 -31.159 1.00 79.07 O ATOM 1275 OD2 ASP A 396 -20.025 18.791 -31.332 1.00 88.25 O ATOM 1276 H ASP A 396 -17.083 20.018 -31.107 1.00 0.00 H TER 1277 ASP A 396 HETATM 1278 O HOH 1 -15.066 15.454 -18.994 1.00 27.10 O HETATM 1279 O HOH 2 -17.626 16.440 -18.728 1.00 30.29 O HETATM 1280 O HOH 3 -4.349 23.495 -11.259 1.00 45.76 O HETATM 1281 O HOH 4 -1.883 15.553 0.116 1.00 42.33 O HETATM 1282 O HOH 5 -9.175 10.878 -24.320 1.00 35.15 O HETATM 1283 O HOH 6 -10.244 2.386 -19.226 1.00 49.50 O HETATM 1284 O HOH 7 0.048 21.675 -6.432 1.00 40.44 O HETATM 1285 O HOH 8 4.304 2.782 -17.552 1.00 65.06 O HETATM 1286 O HOH 9 -3.530 19.229 -1.431 1.00 41.61 O HETATM 1287 O HOH 10 -15.742 23.497 -18.448 1.00 47.52 O HETATM 1288 O HOH 11 -7.537 13.943 2.354 1.00 56.86 O HETATM 1289 O HOH 12 -18.428 1.488 -7.561 1.00 60.69 O HETATM 1290 O HOH 13 -16.230 -1.544 -21.285 1.00 55.03 O HETATM 1291 O HOH 14 3.187 2.139 -20.334 1.00 54.38 O HETATM 1292 O HOH 15 3.853 16.818 -8.066 1.00 40.62 O HETATM 1293 O HOH 16 -16.707 17.435 -14.246 1.00 38.04 O HETATM 1294 O HOH 17 -17.087 1.050 -21.704 1.00 51.09 O HETATM 1295 O HOH 18 -5.594 17.112 -17.770 1.00 33.98 O HETATM 1296 O HOH 19 8.971 16.126 -12.383 1.00 49.85 O HETATM 1297 O HOH 20 -1.299 -1.693 -7.465 1.00 50.80 O HETATM 1298 O HOH 21 -21.221 16.227 -7.727 1.00 40.14 O HETATM 1299 O HOH 22 -13.321 11.045 -4.228 1.00 43.26 O HETATM 1300 O HOH 23 5.435 2.855 -10.169 1.00 57.02 O HETATM 1301 O HOH 24 -13.464 -1.427 -18.212 1.00 53.72 O HETATM 1302 O HOH 25 -4.239 15.091 1.437 1.00 49.52 O HETATM 1303 O HOH 26 -19.305 -3.798 -11.138 1.00 51.16 O HETATM 1304 O HOH 27 1.000 2.280 -10.092 1.00 36.65 O HETATM 1305 O HOH 28 -21.551 -1.035 -8.565 1.00 63.97 O HETATM 1306 O HOH 29 4.911 14.273 -7.434 1.00 46.14 O HETATM 1307 O HOH 30 0.353 18.775 -1.667 1.00 46.99 O HETATM 1308 O HOH 31 -6.717 25.189 -4.749 1.00 50.33 O HETATM 1309 O HOH 32 -8.279 23.381 -16.180 1.00 40.81 O HETATM 1310 O HOH 33 -11.047 13.171 -1.703 1.00 62.68 O HETATM 1311 O HOH 34 14.589 -11.383 -5.086 1.00 69.38 O HETATM 1312 O HOH 35 -12.115 4.304 -2.899 1.00 43.52 O HETATM 1313 O HOH 36 -8.704 20.694 -17.075 1.00 33.91 O HETATM 1314 O HOH 37 13.573 -2.747 3.306 1.00 55.96 O HETATM 1315 O HOH 38 -18.943 7.251 -24.466 1.00 69.46 O HETATM 1316 O HOH 39 -17.906 10.369 -25.602 1.00 55.79 O HETATM 1317 O HOH 40 -25.401 1.101 -7.052 1.00 63.97 O HETATM 1318 O HOH 41 -18.678 16.691 -16.036 1.00 29.23 O HETATM 1319 O HOH 42 -3.682 4.695 -15.034 1.00 26.88 O HETATM 1320 O HOH 43 -7.293 -0.940 -18.706 1.00 45.58 O HETATM 1321 O HOH 44 -10.236 6.464 -23.387 1.00 47.59 O HETATM 1322 O HOH 45 -14.178 1.870 -6.429 1.00 57.96 O HETATM 1323 O HOH 46 -11.380 -0.269 -16.903 1.00 35.19 O HETATM 1324 O HOH 47 -5.002 3.861 -21.894 1.00 49.59 O HETATM 1325 O HOH 48 -17.391 21.844 -20.238 1.00 47.95 O HETATM 1326 O HOH 49 -16.554 -7.080 -12.675 1.00 52.56 O HETATM 1327 O HOH 50 -13.092 13.923 -3.990 1.00 37.97 O HETATM 1328 O HOH 51 2.398 0.494 -14.962 1.00 58.74 O HETATM 1329 O HOH 52 -17.280 -4.345 -21.244 1.00 52.32 O HETATM 1330 O HOH 53 3.621 9.940 -3.965 1.00 55.62 O HETATM 1331 O HOH 54 7.148 17.514 -13.739 1.00 44.82 O HETATM 1332 O HOH 55 4.316 12.766 -5.056 1.00 54.79 O HETATM 1333 O HOH 56 -7.846 12.338 -27.253 1.00 64.71 O HETATM 1334 O HOH 57 -13.872 27.630 -16.162 1.00 67.08 O HETATM 1335 O HOH 58 -12.661 4.749 -22.372 1.00 37.55 O HETATM 1336 O HOH 59 -22.710 13.629 -10.162 1.00 34.71 O HETATM 1337 O HOH 60 -8.903 16.811 -14.986 1.00 28.60 O HETATM 1338 O HOH 61 -6.151 24.956 -12.883 1.00 54.96 O HETATM 1339 O HOH 62 -20.150 -11.095 -17.341 1.00 47.60 O HETATM 1340 O HOH 63 -3.649 -2.174 -15.197 1.00 57.26 O HETATM 1341 O HOH 64 -14.925 5.946 -24.363 1.00 69.34 O HETATM 1342 O HOH 65 -15.599 -5.384 -17.217 1.00 49.13 O HETATM 1343 O HOH 66 -25.934 3.631 -13.900 1.00 50.66 O HETATM 1344 O HOH 67 -18.664 25.486 -2.823 1.00 70.11 O HETATM 1345 O HOH 68 -19.343 -8.318 -14.302 1.00 57.85 O HETATM 1346 O HOH 69 -22.580 24.448 -9.304 1.00 46.08 O HETATM 1347 O HOH 70 -0.839 12.989 0.681 1.00 43.51 O HETATM 1348 O HOH 71 -18.198 21.706 -30.692 1.00 69.02 O HETATM 1349 O HOH 72 -24.310 -0.647 -8.831 1.00 61.66 O HETATM 1350 O HOH 73 -20.158 4.194 -24.677 1.00 79.78 O HETATM 1351 O HOH 74 11.703 8.149 -20.051 1.00 77.94 O HETATM 1352 O HOH 75 6.883 14.755 2.810 1.00 54.87 O HETATM 1353 O HOH 76 -19.116 -1.173 -22.322 1.00 44.10 O HETATM 1354 O HOH 77 -22.158 16.028 -20.118 1.00 54.02 O HETATM 1355 O HOH 78 -2.177 1.401 -22.290 1.00 46.17 O HETATM 1356 O HOH 79 -15.227 15.397 -32.908 1.00189.49 O HETATM 1357 O HOH 80 8.263 7.321 -20.237 1.00 73.91 O HETATM 1358 O HOH 81 -18.965 27.683 -5.809 1.00 69.01 O HETATM 1359 O HOH 82 -18.311 20.356 -23.314 1.00 54.11 O HETATM 1360 O HOH 83 -23.636 10.614 -8.317 1.00 59.11 O HETATM 1361 O HOH 84 -1.384 22.662 -3.943 1.00 51.54 O HETATM 1362 O HOH 85 -5.725 -3.610 -7.258 1.00 63.35 O HETATM 1363 O HOH 86 5.700 -1.338 -16.211 1.00 63.32 O HETATM 1364 O HOH 87 0.371 16.520 1.789 1.00 55.60 O HETATM 1365 O HOH 88 -17.223 21.336 -35.609 1.00 64.98 O HETATM 1366 O HOH 89 -11.252 11.005 -26.056 1.00 49.38 O HETATM 1367 O HOH 90 -23.095 -2.802 -9.978 1.00 59.43 O HETATM 1368 O HOH 91 -7.143 18.730 -16.078 1.00 33.43 O HETATM 1369 O HOH 92 -16.922 14.103 -34.617 1.00116.55 O HETATM 1370 C4 EHW A 93 -0.398 8.500 -19.629 1.00 -0.05 C HETATM 1371 C5 EHW A 93 -1.391 9.514 -19.625 1.00 0.00 C HETATM 1372 C6 EHW A 93 -0.972 10.872 -19.673 1.00 0.03 C HETATM 1373 C3 EHW A 93 0.411 11.171 -19.637 1.00 -0.01 C HETATM 1374 C2 EHW A 93 1.301 10.143 -19.598 1.00 0.14 C HETATM 1375 C1 EHW A 93 0.929 8.815 -19.610 1.00 -0.02 C HETATM 1376 H6 EHW A 93 1.680 8.033 -19.604 1.00 0.06 H HETATM 1377 F24 EHW A 93 2.630 10.426 -19.521 1.00 -0.18 F HETATM 1378 H14 EHW A 93 0.754 12.199 -19.640 1.00 0.06 H HETATM 1379 N7 EHW A 93 -1.859 11.924 -19.680 1.00 -0.32 N HETATM 1380 C8 EHW A 93 -3.150 11.630 -19.724 1.00 -0.01 C HETATM 1381 C9 EHW A 93 -3.666 10.342 -19.725 1.00 -0.04 C HETATM 1382 C10 EHW A 93 -2.800 9.273 -19.658 1.00 0.02 C HETATM 1383 C11 EHW A 93 -3.358 7.904 -19.619 1.00 0.09 C HETATM 1384 C12 EHW A 93 -4.101 7.205 -20.551 1.00 0.03 C HETATM 1385 C17 EHW A 93 -4.516 7.583 -21.911 1.00 0.02 C HETATM 1386 C21 EHW A 93 -3.702 8.060 -22.986 1.00 0.02 C HETATM 1387 C23 EHW A 93 -2.232 8.325 -23.013 1.00 -0.03 C HETATM 1388 H11 EHW A 93 -1.943 8.686 -24.011 1.00 0.04 H HETATM 1389 H12 EHW A 93 -1.688 7.396 -22.788 1.00 0.04 H HETATM 1390 H13 EHW A 93 -1.983 9.088 -22.261 1.00 0.04 H HETATM 1391 N20 EHW A 93 -4.420 8.313 -24.042 1.00 -0.17 N HETATM 1392 O19 EHW A 93 -5.761 7.970 -23.699 1.00 -0.17 O HETATM 1393 C18 EHW A 93 -5.786 7.546 -22.422 1.00 0.15 C HETATM 1394 C22 EHW A 93 -7.110 7.140 -21.888 1.00 0.01 C HETATM 1395 H3 EHW A 93 -7.877 7.279 -22.664 1.00 0.05 H HETATM 1396 H4 EHW A 93 -7.358 7.759 -21.013 1.00 0.05 H HETATM 1397 H5 EHW A 93 -7.077 6.081 -21.591 1.00 0.05 H HETATM 1398 N13 EHW A 93 -4.465 5.965 -20.051 1.00 -0.31 N HETATM 1399 C14 EHW A 93 -3.978 5.943 -18.831 1.00 0.10 C HETATM 1400 N15 EHW A 93 -3.274 7.058 -18.508 1.00 -0.25 N HETATM 1401 C16 EHW A 93 -2.655 7.328 -17.214 1.00 0.05 C HETATM 1402 H8 EHW A 93 -2.153 8.306 -17.245 1.00 0.06 H HETATM 1403 H9 EHW A 93 -1.917 6.544 -16.990 1.00 0.06 H HETATM 1404 H10 EHW A 93 -3.429 7.337 -16.432 1.00 0.06 H HETATM 1405 H7 EHW A 93 -4.125 5.110 -18.145 1.00 0.13 H HETATM 1406 H15 EHW A 93 -4.736 10.179 -19.778 1.00 0.06 H HETATM 1407 H2 EHW A 93 -3.853 12.454 -19.762 1.00 0.08 H HETATM 1408 H1 EHW A 93 -0.699 7.459 -19.647 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 805 806 816 817 818 CONECT 816 805 CONECT 817 805 CONECT 818 805 CONECT 1370 1371 1375 1408 CONECT 1371 1370 1372 1382 CONECT 1372 1371 1373 1379 CONECT 1373 1372 1374 1378 CONECT 1374 1373 1375 1377 CONECT 1375 1370 1374 1376 CONECT 1376 1375 CONECT 1377 1374 CONECT 1378 1373 CONECT 1379 1372 1380 CONECT 1380 1379 1381 1407 CONECT 1381 1380 1382 1406 CONECT 1382 1371 1381 1383 CONECT 1383 1382 1384 1400 CONECT 1384 1383 1385 1398 CONECT 1385 1384 1386 1393 CONECT 1386 1385 1387 1391 CONECT 1387 1386 1388 1389 1390 CONECT 1388 1387 CONECT 1389 1387 CONECT 1390 1387 CONECT 1391 1386 1392 CONECT 1392 1391 1393 CONECT 1393 1385 1392 1394 CONECT 1394 1393 1395 1396 1397 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1394 CONECT 1398 1384 1399 CONECT 1399 1398 1400 1405 CONECT 1400 1383 1399 1401 CONECT 1401 1400 1402 1403 1404 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1401 CONECT 1405 1399 CONECT 1406 1381 CONECT 1407 1380 CONECT 1408 1370 MASTER 0 0 0 0 0 0 0 0 1406 2 47 10 END
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Related entries of code: 6g2f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6g2o
RCSB PDB
PDBbind
136aa, >6G2O_1|Chain... at 100%
6g2e
RCSB PDB
PDBbind
136aa, >6G2E_1|Chain... at 100%
6g2c
RCSB PDB
PDBbind
136aa, >6G2C_1|Chain... at 100%
6g2b
RCSB PDB
PDBbind
136aa, >6G2B_1|Chain... at 100%
6g29
RCSB PDB
PDBbind
136aa, >6G29_1|Chain... at 100%
6g27
RCSB PDB
PDBbind
136aa, >6G27_1|Chain... at 100%
6g25
RCSB PDB
PDBbind
136aa, >6G25_1|Chain... at 100%
6g24
RCSB PDB
PDBbind
136aa, >6G24_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6g2f
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHW
EC.Number
E.C.2.1.1.43
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
Kd=6.8uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat.Chem.Biol. Vol. 15: pp. 822-829
Ligand Properties
Formula
C
1
8
H
1
5
FN
4
O
Molecular Weight
322.336
Exact Mass
322.123
No. of atoms
39
No. of bonds
42
Polar Surface Area
56.74
LOGP Value
2.95 (
Computed with XLOGP3
)
4.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Fc1ccc2c(c1)nccc2c1n(C)cnc1c1c(C)noc1C
InChI String
InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3
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):
Q9BZ95
Entrez Gene ID
NCBI Entrez Gene ID:
54904
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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