Browse entries in the PDBbind-CN Database
HEADER 6NSX_COMPLEX COMPND 6NSX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 MET ARG HIS GLU ARG VAL VAL ILE ILE LYS ASN MET PHE SEQRES 2 A 94 HIS PRO MET ASP PHE GLU ASP ASP PRO LEU VAL LEU ASN SEQRES 3 A 94 GLU ILE ARG GLU ASP LEU ARG VAL GLU CYS SER LYS PHE SEQRES 4 A 94 GLY GLN ILE ARG LYS LEU LEU LEU PHE ASP ARG HIS PRO SEQRES 5 A 94 ASP GLY VAL ALA SER VAL SER PHE ARG ASP PRO GLU GLU SEQRES 6 A 94 ALA ASP TYR CYS ILE GLN THR LEU ASP GLY ARG TRP PHE SEQRES 7 A 94 GLY GLY ARG GLN ILE THR ALA GLN ALA TRP ASP GLY THR SEQRES 8 A 94 THR ASP TYR HET SER A 161 100 ATOM 1 N MET A 260 13.820 4.523 -36.270 1.00106.37 N ATOM 2 CA MET A 260 14.944 5.063 -37.037 1.00105.48 C ATOM 3 C MET A 260 16.104 5.437 -36.093 1.00 95.04 C ATOM 4 O MET A 260 17.268 5.167 -36.411 1.00 88.49 O ATOM 5 CB MET A 260 14.493 6.281 -37.859 1.00111.16 C ATOM 6 CG MET A 260 14.847 6.314 -39.371 1.00116.27 C ATOM 7 SD MET A 260 15.607 4.879 -40.182 1.00118.78 S ATOM 8 CE MET A 260 14.209 3.774 -40.371 1.00117.76 C ATOM 9 HN3 MET A 260 13.490 5.238 -35.591 1.00 0.00 H ATOM 10 HN2 MET A 260 14.129 3.673 -35.757 1.00 0.00 H ATOM 11 HN1 MET A 260 13.046 4.275 -36.919 1.00 0.00 H ATOM 12 N ARG A 261 15.803 6.054 -34.940 1.00 85.42 N ATOM 13 CA ARG A 261 16.842 6.363 -33.959 1.00 71.42 C ATOM 14 C ARG A 261 17.062 5.164 -33.035 1.00 63.89 C ATOM 15 O ARG A 261 16.121 4.659 -32.417 1.00 67.23 O ATOM 16 CB ARG A 261 16.503 7.616 -33.139 1.00 67.15 C ATOM 17 CG ARG A 261 17.596 7.932 -32.092 1.00 66.78 C ATOM 18 CD ARG A 261 17.809 9.448 -31.767 1.00 76.20 C ATOM 19 NE ARG A 261 18.718 9.570 -30.615 1.00 77.09 N ATOM 20 CZ ARG A 261 19.984 10.002 -30.644 1.00 72.67 C ATOM 21 NH1 ARG A 261 20.546 10.429 -31.767 1.00 72.51 N ATOM 22 NH2 ARG A 261 20.708 9.999 -29.518 1.00 66.75 N ATOM 23 HE ARG A 261 18.338 9.293 -29.687 1.00 0.00 H ATOM 24 HH12 ARG A 261 21.532 10.760 -31.762 1.00 0.00 H ATOM 25 HH11 ARG A 261 20.001 10.433 -32.653 1.00 0.00 H ATOM 26 HH22 ARG A 261 21.693 10.333 -29.532 1.00 0.00 H ATOM 27 HH21 ARG A 261 20.286 9.662 -28.629 1.00 0.00 H ATOM 28 H ARG A 261 14.816 6.316 -34.741 1.00 0.00 H ATOM 29 N HIS A 262 18.314 4.715 -32.949 1.00 55.72 N ATOM 30 CA HIS A 262 18.736 3.602 -32.086 1.00 46.16 C ATOM 31 C HIS A 262 19.421 4.195 -30.845 1.00 43.86 C ATOM 32 O HIS A 262 20.604 4.553 -30.875 1.00 44.36 O ATOM 33 CB HIS A 262 19.674 2.673 -32.860 1.00 39.83 C ATOM 34 CG HIS A 262 19.051 2.051 -34.069 1.00 44.39 C ATOM 35 ND1 HIS A 262 18.152 1.010 -33.989 1.00 49.12 N ATOM 36 CD2 HIS A 262 19.178 2.342 -35.385 1.00 51.17 C ATOM 37 CE1 HIS A 262 17.747 0.690 -35.209 1.00 51.95 C ATOM 38 NE2 HIS A 262 18.356 1.481 -36.076 1.00 50.48 N ATOM 39 H HIS A 262 19.039 5.182 -33.530 1.00 0.00 H ATOM 40 N GLU A 263 18.680 4.328 -29.757 1.00 42.58 N ATOM 41 CA GLU A 263 19.090 5.249 -28.697 1.00 43.44 C ATOM 42 C GLU A 263 20.268 4.707 -27.900 1.00 38.54 C ATOM 43 O GLU A 263 20.226 3.587 -27.369 1.00 42.18 O ATOM 44 CB GLU A 263 17.928 5.549 -27.763 1.00 47.85 C ATOM 45 CG GLU A 263 18.225 6.751 -26.852 1.00 50.75 C ATOM 46 CD GLU A 263 18.799 7.965 -27.605 1.00 48.89 C ATOM 47 OE1 GLU A 263 20.025 8.238 -27.483 1.00 43.58 O ATOM 48 OE2 GLU A 263 18.034 8.625 -28.344 1.00 55.04 O ATOM 49 H GLU A 263 17.804 3.777 -29.655 1.00 0.00 H ATOM 50 N ARG A 264 21.338 5.504 -27.818 1.00 34.23 N ATOM 51 CA ARG A 264 22.503 5.135 -27.016 1.00 35.12 C ATOM 52 C ARG A 264 22.664 5.949 -25.736 1.00 35.51 C ATOM 53 O ARG A 264 23.596 5.681 -24.976 1.00 34.17 O ATOM 54 CB ARG A 264 23.780 5.308 -27.839 1.00 33.73 C ATOM 55 CG ARG A 264 23.840 4.291 -29.027 1.00 38.71 C ATOM 56 CD ARG A 264 25.013 4.598 -29.921 1.00 37.86 C ATOM 57 NE ARG A 264 25.177 3.599 -31.013 1.00 36.07 N ATOM 58 CZ ARG A 264 24.459 3.573 -32.130 1.00 36.98 C ATOM 59 NH1 ARG A 264 23.509 4.450 -32.321 1.00 35.74 N ATOM 60 NH2 ARG A 264 24.694 2.649 -33.058 1.00 37.98 N ATOM 61 HE ARG A 264 25.907 2.868 -30.892 1.00 0.00 H ATOM 62 HH12 ARG A 264 22.948 4.427 -33.197 1.00 0.00 H ATOM 63 HH11 ARG A 264 23.314 5.171 -31.597 1.00 0.00 H ATOM 64 HH22 ARG A 264 24.129 2.633 -33.931 1.00 0.00 H ATOM 65 HH21 ARG A 264 25.443 1.943 -32.911 1.00 0.00 H ATOM 66 H ARG A 264 21.342 6.406 -28.336 1.00 0.00 H ATOM 67 N VAL A 265 21.832 6.952 -25.518 1.00 34.92 N ATOM 68 CA VAL A 265 21.984 7.892 -24.401 1.00 36.43 C ATOM 69 C VAL A 265 20.973 7.532 -23.318 1.00 37.52 C ATOM 70 O VAL A 265 19.782 7.394 -23.602 1.00 38.28 O ATOM 71 CB VAL A 265 21.794 9.343 -24.869 1.00 38.54 C ATOM 72 CG1 VAL A 265 22.003 10.324 -23.657 1.00 43.24 C ATOM 73 CG2 VAL A 265 22.757 9.726 -26.013 1.00 40.69 C ATOM 74 H VAL A 265 21.031 7.082 -26.169 1.00 0.00 H ATOM 75 N VAL A 266 21.458 7.360 -22.089 1.00 36.30 N ATOM 76 CA VAL A 266 20.635 7.040 -20.923 1.00 39.15 C ATOM 77 C VAL A 266 20.539 8.285 -20.046 1.00 38.96 C ATOM 78 O VAL A 266 21.555 8.903 -19.738 1.00 34.83 O ATOM 79 CB VAL A 266 21.228 5.874 -20.115 1.00 40.39 C ATOM 80 CG1 VAL A 266 20.422 5.637 -18.819 1.00 40.68 C ATOM 81 CG2 VAL A 266 21.318 4.567 -20.952 1.00 37.45 C ATOM 82 H VAL A 266 22.484 7.459 -21.950 1.00 0.00 H ATOM 83 N ILE A 267 19.322 8.671 -19.683 1.00 37.71 N ATOM 84 CA ILE A 267 19.076 9.792 -18.776 1.00 38.02 C ATOM 85 C ILE A 267 18.770 9.212 -17.393 1.00 38.60 C ATOM 86 O ILE A 267 17.823 8.435 -17.229 1.00 42.17 O ATOM 87 CB ILE A 267 17.926 10.672 -19.269 1.00 38.21 C ATOM 88 CG1 ILE A 267 18.186 11.205 -20.706 1.00 39.86 C ATOM 89 CG2 ILE A 267 17.657 11.838 -18.224 1.00 42.58 C ATOM 90 CD1 ILE A 267 19.433 12.021 -20.885 1.00 38.73 C ATOM 91 H ILE A 267 18.504 8.152 -20.062 1.00 0.00 H ATOM 92 N ILE A 268 19.598 9.549 -16.414 1.00 40.20 N ATOM 93 CA ILE A 268 19.453 9.089 -15.023 1.00 40.19 C ATOM 94 C ILE A 268 18.962 10.272 -14.203 1.00 41.88 C ATOM 95 O ILE A 268 19.492 11.376 -14.351 1.00 40.25 O ATOM 96 CB ILE A 268 20.786 8.560 -14.482 1.00 41.91 C ATOM 97 CG1 ILE A 268 21.327 7.473 -15.434 1.00 43.63 C ATOM 98 CG2 ILE A 268 20.627 7.973 -13.032 1.00 44.21 C ATOM 99 CD1 ILE A 268 22.716 7.065 -15.176 1.00 46.68 C ATOM 100 H ILE A 268 20.397 10.175 -16.642 1.00 0.00 H ATOM 101 N LYS A 269 17.929 10.064 -13.369 1.00 39.74 N ATOM 102 CA LYS A 269 17.365 11.144 -12.577 1.00 42.70 C ATOM 103 C LYS A 269 17.324 10.782 -11.088 1.00 43.62 C ATOM 104 O LYS A 269 17.340 9.612 -10.718 1.00 42.11 O ATOM 105 CB LYS A 269 15.964 11.509 -13.069 1.00 46.91 C ATOM 106 CG LYS A 269 15.952 11.989 -14.553 1.00 50.78 C ATOM 107 CD LYS A 269 14.665 12.714 -14.852 1.00 54.78 C ATOM 108 CE LYS A 269 14.513 13.016 -16.332 1.00 54.94 C ATOM 109 NZ LYS A 269 13.078 13.243 -16.591 1.00 55.12 N ATOM 110 HZ1 LYS A 269 12.542 12.389 -16.336 1.00 0.00 H ATOM 111 HZ2 LYS A 269 12.747 14.046 -16.019 1.00 0.00 H ATOM 112 HZ3 LYS A 269 12.938 13.453 -17.600 1.00 0.00 H ATOM 113 H LYS A 269 17.524 9.109 -13.289 1.00 0.00 H ATOM 114 N ASN A 270 17.256 11.831 -10.265 1.00 41.65 N ATOM 115 CA ASN A 270 17.225 11.788 -8.799 1.00 43.41 C ATOM 116 C ASN A 270 18.525 11.288 -8.177 1.00 48.63 C ATOM 117 O ASN A 270 18.517 10.701 -7.087 1.00 52.28 O ATOM 118 CB ASN A 270 16.053 10.960 -8.261 1.00 49.65 C ATOM 119 CG ASN A 270 15.698 11.335 -6.822 1.00 57.26 C ATOM 120 OD1 ASN A 270 15.733 12.510 -6.456 1.00 55.72 O ATOM 121 ND2 ASN A 270 15.381 10.336 -6.002 1.00 53.99 N ATOM 122 HD22 ASN A 270 15.364 9.358 -6.356 1.00 0.00 H ATOM 123 HD21 ASN A 270 15.150 10.533 -5.007 1.00 0.00 H ATOM 124 H ASN A 270 17.222 12.772 -10.707 1.00 0.00 H ATOM 125 N MET A 271 19.650 11.571 -8.814 1.00 46.19 N ATOM 126 CA MET A 271 20.950 11.160 -8.301 1.00 48.38 C ATOM 127 C MET A 271 21.443 12.061 -7.195 1.00 46.22 C ATOM 128 O MET A 271 22.398 11.706 -6.490 1.00 47.06 O ATOM 129 CB MET A 271 21.989 11.208 -9.418 1.00 54.19 C ATOM 130 CG MET A 271 21.798 10.159 -10.459 1.00 69.60 C ATOM 131 SD MET A 271 23.082 8.938 -10.200 1.00 90.71 S ATOM 132 CE MET A 271 24.453 9.914 -10.826 1.00 93.47 C ATOM 133 H MET A 271 19.605 12.102 -9.707 1.00 0.00 H ATOM 134 N PHE A 272 20.871 13.247 -7.096 1.00 46.44 N ATOM 135 CA PHE A 272 21.341 14.267 -6.167 1.00 49.86 C ATOM 136 C PHE A 272 20.315 15.376 -6.213 1.00 48.91 C ATOM 137 O PHE A 272 19.391 15.341 -7.028 1.00 47.33 O ATOM 138 CB PHE A 272 22.729 14.776 -6.556 1.00 49.13 C ATOM 139 CG PHE A 272 22.797 15.286 -7.971 1.00 48.59 C ATOM 140 CD1 PHE A 272 22.453 16.599 -8.265 1.00 52.94 C ATOM 141 CD2 PHE A 272 23.171 14.436 -9.002 1.00 49.17 C ATOM 142 CE1 PHE A 272 22.503 17.069 -9.589 1.00 69.24 C ATOM 143 CE2 PHE A 272 23.222 14.889 -10.323 1.00 54.39 C ATOM 144 CZ PHE A 272 22.887 16.206 -10.614 1.00 61.67 C ATOM 145 H PHE A 272 20.055 13.461 -7.704 1.00 0.00 H ATOM 146 N HIS A 273 20.486 16.364 -5.332 1.00 48.39 N ATOM 147 CA HIS A 273 19.866 17.663 -5.456 1.00 48.76 C ATOM 148 C HIS A 273 20.972 18.715 -5.464 1.00 52.42 C ATOM 149 O HIS A 273 21.956 18.578 -4.724 1.00 59.18 O ATOM 150 CB HIS A 273 18.874 17.942 -4.279 1.00 51.35 C ATOM 151 CG HIS A 273 18.112 19.211 -4.427 1.00 53.70 C ATOM 152 ND1 HIS A 273 18.593 20.416 -3.973 1.00 54.89 N ATOM 153 CD2 HIS A 273 16.925 19.478 -5.028 1.00 57.19 C ATOM 154 CE1 HIS A 273 17.718 21.372 -4.252 1.00 61.39 C ATOM 155 NE2 HIS A 273 16.697 20.828 -4.897 1.00 57.61 N ATOM 156 H HIS A 273 21.100 16.189 -4.511 1.00 0.00 H ATOM 157 N PRO A 274 20.852 19.771 -6.264 1.00 51.36 N ATOM 158 CA PRO A 274 21.948 20.757 -6.338 1.00 52.35 C ATOM 159 C PRO A 274 22.364 21.340 -5.002 1.00 57.54 C ATOM 160 O PRO A 274 23.510 21.778 -4.868 1.00 57.16 O ATOM 161 CB PRO A 274 21.373 21.843 -7.259 1.00 52.03 C ATOM 162 CG PRO A 274 20.411 21.085 -8.165 1.00 53.31 C ATOM 163 CD PRO A 274 19.792 20.030 -7.272 1.00 53.58 C ATOM 164 N MET A 275 21.465 21.393 -4.016 1.00 54.05 N ATOM 165 CA MET A 275 21.865 21.828 -2.682 1.00 58.88 C ATOM 166 C MET A 275 22.928 20.921 -2.059 1.00 57.87 C ATOM 167 O MET A 275 23.631 21.360 -1.138 1.00 63.02 O ATOM 168 CB MET A 275 20.640 21.895 -1.761 1.00 58.30 C ATOM 169 CG MET A 275 19.734 23.067 -2.022 1.00 63.32 C ATOM 170 SD MET A 275 20.444 24.604 -1.419 1.00 72.37 S ATOM 171 CE MET A 275 20.844 24.128 0.281 1.00 76.70 C ATOM 172 H MET A 275 20.477 21.124 -4.199 1.00 0.00 H ATOM 173 N ASP A 276 23.043 19.673 -2.501 1.00 57.61 N ATOM 174 CA ASP A 276 24.056 18.785 -1.948 1.00 64.12 C ATOM 175 C ASP A 276 25.470 19.312 -2.188 1.00 68.43 C ATOM 176 O ASP A 276 26.393 18.951 -1.451 1.00 72.96 O ATOM 177 CB ASP A 276 23.952 17.383 -2.546 1.00 55.47 C ATOM 178 CG ASP A 276 22.582 16.743 -2.369 1.00 54.72 C ATOM 179 OD1 ASP A 276 21.793 17.159 -1.511 1.00 58.03 O ATOM 180 OD2 ASP A 276 22.310 15.776 -3.113 1.00 55.34 O ATOM 181 H ASP A 276 22.405 19.328 -3.247 1.00 0.00 H ATOM 182 N PHE A 277 25.664 20.144 -3.206 1.00 64.03 N ATOM 183 CA PHE A 277 26.981 20.658 -3.553 1.00 63.45 C ATOM 184 C PHE A 277 27.260 22.020 -2.947 1.00 69.79 C ATOM 185 O PHE A 277 28.337 22.582 -3.167 1.00 77.01 O ATOM 186 CB PHE A 277 27.102 20.739 -5.068 1.00 57.33 C ATOM 187 CG PHE A 277 26.635 19.507 -5.778 1.00 55.55 C ATOM 188 CD1 PHE A 277 27.032 18.246 -5.356 1.00 53.30 C ATOM 189 CD2 PHE A 277 25.782 19.601 -6.879 1.00 51.48 C ATOM 190 CE1 PHE A 277 26.606 17.106 -6.037 1.00 51.48 C ATOM 191 CE2 PHE A 277 25.344 18.489 -7.527 1.00 50.80 C ATOM 192 CZ PHE A 277 25.767 17.220 -7.115 1.00 52.60 C ATOM 193 H PHE A 277 24.845 20.439 -3.775 1.00 0.00 H ATOM 194 N GLU A 278 26.310 22.565 -2.189 1.00 68.38 N ATOM 195 CA GLU A 278 26.477 23.880 -1.598 1.00 74.20 C ATOM 196 C GLU A 278 27.542 23.857 -0.510 1.00 73.30 C ATOM 197 O GLU A 278 28.344 24.793 -0.403 1.00 73.49 O ATOM 198 CB GLU A 278 25.134 24.354 -1.040 1.00 82.35 C ATOM 199 CG GLU A 278 25.132 25.754 -0.477 1.00 96.20 C ATOM 200 CD GLU A 278 25.040 26.802 -1.563 1.00 90.12 C ATOM 201 OE1 GLU A 278 24.783 26.420 -2.731 1.00 81.90 O ATOM 202 OE2 GLU A 278 25.225 27.998 -1.234 1.00 91.45 O ATOM 203 H GLU A 278 25.430 22.037 -2.017 1.00 0.00 H ATOM 204 N ASP A 279 27.574 22.794 0.304 1.00 71.20 N ATOM 205 CA ASP A 279 28.430 22.759 1.491 1.00 78.46 C ATOM 206 C ASP A 279 29.406 21.589 1.456 1.00 78.51 C ATOM 207 O ASP A 279 29.964 21.221 2.488 1.00 83.05 O ATOM 208 CB ASP A 279 27.586 22.706 2.769 1.00 79.27 C ATOM 209 CG ASP A 279 26.960 24.056 3.121 1.00 89.89 C ATOM 210 OD1 ASP A 279 27.682 25.074 3.101 1.00 93.19 O ATOM 211 OD2 ASP A 279 25.749 24.100 3.425 1.00101.16 O ATOM 212 H ASP A 279 26.975 21.972 0.087 1.00 0.00 H ATOM 213 N ASP A 280 29.623 20.993 0.296 1.00 79.50 N ATOM 214 CA ASP A 280 30.733 20.062 0.199 1.00 87.27 C ATOM 215 C ASP A 280 31.244 20.108 -1.231 1.00 85.62 C ATOM 216 O ASP A 280 30.588 19.572 -2.124 1.00 74.01 O ATOM 217 CB ASP A 280 30.319 18.643 0.581 1.00 97.25 C ATOM 218 CG ASP A 280 31.522 17.710 0.750 1.00105.88 C ATOM 219 OD1 ASP A 280 32.652 18.111 0.386 1.00108.57 O ATOM 220 OD2 ASP A 280 31.339 16.576 1.247 1.00109.32 O ATOM 221 H ASP A 280 29.015 21.186 -0.525 1.00 0.00 H ATOM 222 N PRO A 281 32.406 20.718 -1.488 1.00 97.13 N ATOM 223 CA PRO A 281 32.843 20.896 -2.881 1.00 94.65 C ATOM 224 C PRO A 281 33.293 19.607 -3.545 1.00 90.22 C ATOM 225 O PRO A 281 33.456 19.594 -4.771 1.00 89.81 O ATOM 226 CB PRO A 281 33.998 21.894 -2.756 1.00 98.32 C ATOM 227 CG PRO A 281 34.598 21.591 -1.399 1.00103.18 C ATOM 228 CD PRO A 281 33.462 21.085 -0.520 1.00103.35 C ATOM 229 N LEU A 282 33.480 18.530 -2.777 1.00 88.93 N ATOM 230 CA LEU A 282 33.983 17.273 -3.303 1.00 84.27 C ATOM 231 C LEU A 282 32.883 16.315 -3.732 1.00 75.07 C ATOM 232 O LEU A 282 33.178 15.350 -4.428 1.00 70.93 O ATOM 233 CB LEU A 282 34.842 16.558 -2.253 1.00 95.45 C ATOM 234 CG LEU A 282 35.931 17.373 -1.561 1.00106.86 C ATOM 235 CD1 LEU A 282 36.646 16.515 -0.515 1.00 99.87 C ATOM 236 CD2 LEU A 282 36.890 17.925 -2.608 1.00111.13 C ATOM 237 H LEU A 282 33.257 18.594 -1.763 1.00 0.00 H ATOM 238 N VAL A 283 31.635 16.540 -3.315 1.00 69.98 N ATOM 239 CA VAL A 283 30.589 15.551 -3.573 1.00 67.95 C ATOM 240 C VAL A 283 30.362 15.391 -5.070 1.00 57.98 C ATOM 241 O VAL A 283 30.199 14.268 -5.572 1.00 57.77 O ATOM 242 CB VAL A 283 29.292 15.933 -2.833 1.00 72.91 C ATOM 243 CG1 VAL A 283 28.149 15.039 -3.260 1.00 75.41 C ATOM 244 CG2 VAL A 283 29.502 15.807 -1.327 1.00 80.15 C ATOM 245 H VAL A 283 31.407 17.418 -2.807 1.00 0.00 H ATOM 246 N LEU A 284 30.362 16.498 -5.818 1.00 57.03 N ATOM 247 CA LEU A 284 30.016 16.430 -7.242 1.00 55.04 C ATOM 248 C LEU A 284 30.927 15.457 -7.989 1.00 57.36 C ATOM 249 O LEU A 284 30.450 14.536 -8.672 1.00 54.87 O ATOM 250 CB LEU A 284 30.075 17.841 -7.853 1.00 58.43 C ATOM 251 CG LEU A 284 29.852 17.860 -9.369 1.00 63.94 C ATOM 252 CD1 LEU A 284 28.567 17.127 -9.681 1.00 58.51 C ATOM 253 CD2 LEU A 284 29.786 19.273 -9.925 1.00 63.34 C ATOM 254 H LEU A 284 30.609 17.413 -5.389 1.00 0.00 H ATOM 255 N ASN A 285 32.248 15.604 -7.832 1.00 63.15 N ATOM 256 CA ASN A 285 33.173 14.710 -8.534 1.00 63.69 C ATOM 257 C ASN A 285 33.149 13.297 -7.966 1.00 61.67 C ATOM 258 O ASN A 285 33.351 12.331 -8.706 1.00 56.65 O ATOM 259 CB ASN A 285 34.592 15.275 -8.478 1.00 75.06 C ATOM 260 CG ASN A 285 34.766 16.485 -9.379 1.00 87.08 C ATOM 261 OD1 ASN A 285 34.191 16.550 -10.469 1.00102.36 O ATOM 262 ND2 ASN A 285 35.544 17.458 -8.921 1.00 87.65 N ATOM 263 HD22 ASN A 285 36.009 17.360 -7.996 1.00 0.00 H ATOM 264 HD21 ASN A 285 35.689 18.318 -9.487 1.00 0.00 H ATOM 265 H ASN A 285 32.618 16.353 -7.212 1.00 0.00 H ATOM 266 N GLU A 286 32.923 13.144 -6.663 1.00 59.08 N ATOM 267 CA GLU A 286 32.720 11.809 -6.109 1.00 66.02 C ATOM 268 C GLU A 286 31.541 11.108 -6.790 1.00 62.88 C ATOM 269 O GLU A 286 31.623 9.922 -7.127 1.00 59.72 O ATOM 270 CB GLU A 286 32.507 11.899 -4.592 1.00 71.94 C ATOM 271 CG GLU A 286 33.794 12.216 -3.827 1.00 81.80 C ATOM 272 CD GLU A 286 33.603 12.382 -2.309 1.00 89.22 C ATOM 273 OE1 GLU A 286 32.470 12.642 -1.837 1.00 86.33 O ATOM 274 OE2 GLU A 286 34.614 12.254 -1.587 1.00 92.12 O ATOM 275 H GLU A 286 32.891 13.976 -6.040 1.00 0.00 H ATOM 276 N ILE A 287 30.433 11.825 -6.983 1.00 57.34 N ATOM 277 CA ILE A 287 29.293 11.256 -7.695 1.00 58.09 C ATOM 278 C ILE A 287 29.646 10.974 -9.149 1.00 53.52 C ATOM 279 O ILE A 287 29.264 9.938 -9.703 1.00 49.34 O ATOM 280 CB ILE A 287 28.080 12.197 -7.608 1.00 65.42 C ATOM 281 CG1 ILE A 287 27.493 12.172 -6.196 1.00 70.54 C ATOM 282 CG2 ILE A 287 27.046 11.799 -8.659 1.00 66.63 C ATOM 283 CD1 ILE A 287 26.264 13.078 -6.057 1.00 73.02 C ATOM 284 H ILE A 287 30.381 12.799 -6.623 1.00 0.00 H ATOM 285 N ARG A 288 30.351 11.895 -9.802 1.00 55.59 N ATOM 286 CA ARG A 288 30.707 11.678 -11.197 1.00 58.21 C ATOM 287 C ARG A 288 31.455 10.365 -11.352 1.00 57.93 C ATOM 288 O ARG A 288 31.178 9.580 -12.268 1.00 52.09 O ATOM 289 CB ARG A 288 31.547 12.842 -11.722 1.00 58.13 C ATOM 290 CG ARG A 288 31.864 12.773 -13.205 1.00 60.85 C ATOM 291 CD ARG A 288 32.902 13.808 -13.577 1.00 72.27 C ATOM 292 NE ARG A 288 32.628 15.093 -12.933 1.00 78.57 N ATOM 293 CZ ARG A 288 31.678 15.929 -13.325 1.00 78.29 C ATOM 294 NH1 ARG A 288 30.905 15.612 -14.362 1.00 86.29 N ATOM 295 NH2 ARG A 288 31.497 17.077 -12.683 1.00 68.26 N ATOM 296 HE ARG A 288 33.214 15.366 -12.119 1.00 0.00 H ATOM 297 HH12 ARG A 288 30.158 16.266 -14.673 1.00 0.00 H ATOM 298 HH11 ARG A 288 31.048 14.711 -14.861 1.00 0.00 H ATOM 299 HH22 ARG A 288 30.751 17.733 -12.991 1.00 0.00 H ATOM 300 HH21 ARG A 288 32.101 17.320 -11.872 1.00 0.00 H ATOM 301 H ARG A 288 30.647 12.767 -9.317 1.00 0.00 H ATOM 302 N GLU A 289 32.375 10.085 -10.443 1.00 56.04 N ATOM 303 CA GLU A 289 33.206 8.901 -10.616 1.00 59.76 C ATOM 304 C GLU A 289 32.481 7.633 -10.184 1.00 57.88 C ATOM 305 O GLU A 289 32.646 6.577 -10.815 1.00 62.59 O ATOM 306 CB GLU A 289 34.524 9.110 -9.878 1.00 75.00 C ATOM 307 CG GLU A 289 35.340 10.239 -10.525 1.00 85.84 C ATOM 308 CD GLU A 289 35.514 10.041 -12.041 1.00 89.04 C ATOM 309 OE1 GLU A 289 36.019 8.965 -12.448 1.00 99.61 O ATOM 310 OE2 GLU A 289 35.120 10.940 -12.822 1.00 80.89 O ATOM 311 H GLU A 289 32.503 10.702 -9.616 1.00 0.00 H ATOM 312 N ASP A 290 31.679 7.723 -9.119 1.00 56.01 N ATOM 313 CA ASP A 290 30.753 6.659 -8.744 1.00 53.59 C ATOM 314 C ASP A 290 29.948 6.190 -9.946 1.00 52.70 C ATOM 315 O ASP A 290 29.815 4.986 -10.202 1.00 51.85 O ATOM 316 CB ASP A 290 29.786 7.171 -7.681 1.00 68.82 C ATOM 317 CG ASP A 290 30.129 6.684 -6.302 1.00 91.84 C ATOM 318 OD1 ASP A 290 31.251 6.172 -6.107 1.00 96.87 O ATOM 319 OD2 ASP A 290 29.258 6.821 -5.415 1.00 92.86 O ATOM 320 H ASP A 290 31.716 8.583 -8.536 1.00 0.00 H ATOM 321 N LEU A 291 29.417 7.141 -10.702 1.00 49.36 N ATOM 322 CA LEU A 291 28.617 6.799 -11.875 1.00 50.72 C ATOM 323 C LEU A 291 29.466 6.199 -12.990 1.00 48.30 C ATOM 324 O LEU A 291 29.035 5.263 -13.679 1.00 46.75 O ATOM 325 CB LEU A 291 27.901 8.052 -12.375 1.00 49.57 C ATOM 326 CG LEU A 291 26.866 7.813 -13.470 1.00 51.65 C ATOM 327 CD1 LEU A 291 25.788 6.871 -12.959 1.00 53.41 C ATOM 328 CD2 LEU A 291 26.242 9.154 -13.940 1.00 48.63 C ATOM 329 H LEU A 291 29.572 8.140 -10.457 1.00 0.00 H ATOM 330 N ARG A 292 30.643 6.768 -13.237 1.00 49.31 N ATOM 331 CA ARG A 292 31.490 6.248 -14.305 1.00 49.23 C ATOM 332 C ARG A 292 31.951 4.822 -13.996 1.00 54.17 C ATOM 333 O ARG A 292 31.961 3.939 -14.881 1.00 48.26 O ATOM 334 CB ARG A 292 32.676 7.186 -14.501 1.00 51.15 C ATOM 335 CG ARG A 292 33.555 6.817 -15.710 1.00 58.05 C ATOM 336 CD ARG A 292 34.847 7.635 -15.741 1.00 71.68 C ATOM 337 NE ARG A 292 34.613 9.059 -15.478 1.00 81.76 N ATOM 338 CZ ARG A 292 34.279 9.970 -16.397 1.00 81.31 C ATOM 339 NH1 ARG A 292 34.127 9.637 -17.683 1.00 77.06 N ATOM 340 NH2 ARG A 292 34.092 11.233 -16.018 1.00 78.07 N ATOM 341 HE ARG A 292 34.715 9.386 -14.496 1.00 0.00 H ATOM 342 HH12 ARG A 292 33.867 10.363 -18.381 1.00 0.00 H ATOM 343 HH11 ARG A 292 34.269 8.652 -17.985 1.00 0.00 H ATOM 344 HH22 ARG A 292 33.832 11.954 -16.721 1.00 0.00 H ATOM 345 HH21 ARG A 292 34.206 11.498 -15.019 1.00 0.00 H ATOM 346 H ARG A 292 30.958 7.581 -12.670 1.00 0.00 H ATOM 347 N VAL A 293 32.343 4.572 -12.746 1.00 55.97 N ATOM 348 CA VAL A 293 32.783 3.240 -12.367 1.00 55.80 C ATOM 349 C VAL A 293 31.655 2.235 -12.573 1.00 53.30 C ATOM 350 O VAL A 293 31.861 1.163 -13.132 1.00 54.05 O ATOM 351 CB VAL A 293 33.297 3.229 -10.918 1.00 61.40 C ATOM 352 CG1 VAL A 293 33.530 1.779 -10.447 1.00 58.81 C ATOM 353 CG2 VAL A 293 34.597 4.008 -10.802 1.00 66.16 C ATOM 354 H VAL A 293 32.334 5.334 -12.039 1.00 0.00 H ATOM 355 N GLU A 294 30.454 2.561 -12.112 1.00 50.03 N ATOM 356 CA GLU A 294 29.337 1.634 -12.279 1.00 49.50 C ATOM 357 C GLU A 294 28.966 1.453 -13.755 1.00 51.01 C ATOM 358 O GLU A 294 28.739 0.329 -14.223 1.00 53.85 O ATOM 359 CB GLU A 294 28.121 2.152 -11.514 1.00 55.24 C ATOM 360 CG GLU A 294 26.953 1.178 -11.508 1.00 62.69 C ATOM 361 CD GLU A 294 27.225 -0.082 -10.663 1.00 69.25 C ATOM 362 OE1 GLU A 294 26.442 -1.047 -10.793 1.00 69.66 O ATOM 363 OE2 GLU A 294 28.207 -0.108 -9.877 1.00 71.18 O ATOM 364 H GLU A 294 30.308 3.473 -11.634 1.00 0.00 H ATOM 365 N CYS A 295 28.871 2.544 -14.498 1.00 46.91 N ATOM 366 CA CYS A 295 28.378 2.438 -15.880 1.00 45.71 C ATOM 367 C CYS A 295 29.389 1.798 -16.818 1.00 45.24 C ATOM 368 O CYS A 295 28.994 1.231 -17.847 1.00 46.51 O ATOM 369 CB CYS A 295 27.968 3.810 -16.396 1.00 42.49 C ATOM 370 SG CYS A 295 26.390 4.377 -15.718 1.00 42.77 S ATOM 371 H CYS A 295 29.143 3.469 -14.108 1.00 0.00 H ATOM 372 N SER A 296 30.690 1.884 -16.508 1.00 48.28 N ATOM 373 CA SER A 296 31.714 1.233 -17.319 1.00 50.29 C ATOM 374 C SER A 296 31.498 -0.271 -17.428 1.00 51.80 C ATOM 375 O SER A 296 32.025 -0.898 -18.358 1.00 52.69 O ATOM 376 CB SER A 296 33.114 1.496 -16.737 1.00 58.47 C ATOM 377 OG SER A 296 33.569 2.806 -17.049 1.00 66.22 O ATOM 378 HG SER A 296 32.941 3.471 -16.670 1.00 0.00 H ATOM 379 H SER A 296 30.977 2.428 -15.669 1.00 0.00 H ATOM 380 N LYS A 297 30.751 -0.870 -16.497 1.00 52.59 N ATOM 381 CA LYS A 297 30.458 -2.296 -16.576 1.00 54.00 C ATOM 382 C LYS A 297 29.410 -2.604 -17.643 1.00 49.44 C ATOM 383 O LYS A 297 29.262 -3.754 -18.032 1.00 48.70 O ATOM 384 CB LYS A 297 29.956 -2.808 -15.225 1.00 60.69 C ATOM 385 CG LYS A 297 30.785 -2.300 -14.058 1.00 66.37 C ATOM 386 CD LYS A 297 30.479 -3.009 -12.748 1.00 71.50 C ATOM 387 CE LYS A 297 29.031 -2.896 -12.342 1.00 74.06 C ATOM 388 NZ LYS A 297 28.879 -3.379 -10.934 1.00 82.87 N ATOM 389 HZ1 LYS A 297 29.183 -4.372 -10.875 1.00 0.00 H ATOM 390 HZ2 LYS A 297 29.466 -2.797 -10.304 1.00 0.00 H ATOM 391 HZ3 LYS A 297 27.882 -3.303 -10.649 1.00 0.00 H ATOM 392 H LYS A 297 30.373 -0.312 -15.705 1.00 0.00 H ATOM 393 N PHE A 298 28.633 -1.612 -18.056 1.00 42.97 N ATOM 394 CA PHE A 298 27.538 -1.810 -19.003 1.00 42.47 C ATOM 395 C PHE A 298 27.947 -1.597 -20.451 1.00 45.69 C ATOM 396 O PHE A 298 27.235 -2.063 -21.360 1.00 42.88 O ATOM 397 CB PHE A 298 26.377 -0.850 -18.720 1.00 41.98 C ATOM 398 CG PHE A 298 25.932 -0.838 -17.285 1.00 46.16 C ATOM 399 CD1 PHE A 298 25.771 -2.024 -16.591 1.00 51.06 C ATOM 400 CD2 PHE A 298 25.677 0.355 -16.628 1.00 46.94 C ATOM 401 CE1 PHE A 298 25.367 -2.009 -15.251 1.00 51.23 C ATOM 402 CE2 PHE A 298 25.269 0.362 -15.281 1.00 49.23 C ATOM 403 CZ PHE A 298 25.121 -0.832 -14.615 1.00 51.36 C ATOM 404 H PHE A 298 28.810 -0.654 -17.691 1.00 0.00 H ATOM 405 N GLY A 299 29.052 -0.906 -20.696 1.00 42.56 N ATOM 406 CA GLY A 299 29.477 -0.683 -22.071 1.00 41.30 C ATOM 407 C GLY A 299 30.525 0.401 -22.122 1.00 41.46 C ATOM 408 O GLY A 299 30.868 1.020 -21.103 1.00 42.73 O ATOM 409 H GLY A 299 29.614 -0.524 -19.908 1.00 0.00 H ATOM 410 N GLN A 300 31.038 0.616 -23.331 1.00 40.49 N ATOM 411 CA GLN A 300 31.991 1.691 -23.569 1.00 45.32 C ATOM 412 C GLN A 300 31.257 3.012 -23.457 1.00 45.90 C ATOM 413 O GLN A 300 30.293 3.258 -24.191 1.00 45.08 O ATOM 414 CB GLN A 300 32.642 1.604 -24.953 1.00 41.54 C ATOM 415 CG GLN A 300 33.310 0.306 -25.266 1.00 57.01 C ATOM 416 CD GLN A 300 33.712 0.229 -26.760 1.00 70.58 C ATOM 417 OE1 GLN A 300 33.429 -0.760 -27.447 1.00 79.16 O ATOM 418 NE2 GLN A 300 34.335 1.289 -27.258 1.00 71.36 N ATOM 419 HE22 GLN A 300 34.554 2.100 -26.644 1.00 0.00 H ATOM 420 HE21 GLN A 300 34.605 1.309 -28.262 1.00 0.00 H ATOM 421 H GLN A 300 30.752 0.004 -24.122 1.00 0.00 H ATOM 422 N ILE A 301 31.713 3.854 -22.549 1.00 43.09 N ATOM 423 CA ILE A 301 31.112 5.161 -22.339 1.00 44.94 C ATOM 424 C ILE A 301 31.716 6.132 -23.338 1.00 44.36 C ATOM 425 O ILE A 301 32.942 6.270 -23.408 1.00 45.49 O ATOM 426 CB ILE A 301 31.363 5.644 -20.901 1.00 45.12 C ATOM 427 CG1 ILE A 301 30.644 4.765 -19.876 1.00 48.50 C ATOM 428 CG2 ILE A 301 30.925 7.122 -20.747 1.00 40.86 C ATOM 429 CD1 ILE A 301 30.958 5.122 -18.427 1.00 49.61 C ATOM 430 H ILE A 301 32.527 3.574 -21.966 1.00 0.00 H ATOM 431 N ARG A 302 30.867 6.836 -24.083 1.00 43.92 N ATOM 432 CA ARG A 302 31.324 7.863 -25.007 1.00 47.49 C ATOM 433 C ARG A 302 31.318 9.229 -24.341 1.00 49.12 C ATOM 434 O ARG A 302 32.216 10.035 -24.574 1.00 51.08 O ATOM 435 CB ARG A 302 30.444 7.884 -26.273 1.00 51.47 C ATOM 436 CG ARG A 302 30.798 6.798 -27.312 1.00 55.92 C ATOM 437 CD ARG A 302 29.674 6.546 -28.374 1.00 55.56 C ATOM 438 NE ARG A 302 29.157 7.756 -29.011 1.00 65.42 N ATOM 439 CZ ARG A 302 27.899 8.210 -28.939 1.00 71.91 C ATOM 440 NH1 ARG A 302 26.956 7.579 -28.239 1.00 57.49 N ATOM 441 NH2 ARG A 302 27.575 9.319 -29.592 1.00 80.31 N ATOM 442 HE ARG A 302 29.829 8.317 -29.573 1.00 0.00 H ATOM 443 HH12 ARG A 302 25.989 7.961 -28.206 1.00 0.00 H ATOM 444 HH11 ARG A 302 27.187 6.704 -27.726 1.00 0.00 H ATOM 445 HH22 ARG A 302 26.602 9.684 -29.546 1.00 0.00 H ATOM 446 HH21 ARG A 302 28.294 9.823 -30.150 1.00 0.00 H ATOM 447 H ARG A 302 29.848 6.647 -24.002 1.00 0.00 H ATOM 448 N LYS A 303 30.318 9.510 -23.516 1.00 45.96 N ATOM 449 CA LYS A 303 30.222 10.801 -22.862 1.00 48.10 C ATOM 450 C LYS A 303 29.418 10.617 -21.582 1.00 48.22 C ATOM 451 O LYS A 303 28.381 9.948 -21.581 1.00 43.32 O ATOM 452 CB LYS A 303 29.563 11.833 -23.791 1.00 52.61 C ATOM 453 CG LYS A 303 29.572 13.268 -23.259 1.00 67.18 C ATOM 454 CD LYS A 303 28.828 14.247 -24.207 1.00 84.04 C ATOM 455 CE LYS A 303 27.333 13.881 -24.389 1.00 97.22 C ATOM 456 NZ LYS A 303 26.480 14.979 -24.982 1.00102.96 N ATOM 457 HZ1 LYS A 303 26.512 15.814 -24.363 1.00 0.00 H ATOM 458 HZ2 LYS A 303 26.845 15.230 -25.923 1.00 0.00 H ATOM 459 HZ3 LYS A 303 25.498 14.646 -25.067 1.00 0.00 H ATOM 460 H LYS A 303 29.589 8.791 -23.335 1.00 0.00 H ATOM 461 N LEU A 304 29.890 11.232 -20.506 1.00 45.18 N ATOM 462 CA LEU A 304 29.191 11.213 -19.230 1.00 44.61 C ATOM 463 C LEU A 304 29.093 12.638 -18.733 1.00 46.20 C ATOM 464 O LEU A 304 30.104 13.338 -18.652 1.00 48.78 O ATOM 465 CB LEU A 304 29.929 10.335 -18.227 1.00 49.65 C ATOM 466 CG LEU A 304 29.310 10.154 -16.835 1.00 56.94 C ATOM 467 CD1 LEU A 304 29.843 8.860 -16.252 1.00 59.67 C ATOM 468 CD2 LEU A 304 29.622 11.294 -15.903 1.00 61.78 C ATOM 469 H LEU A 304 30.791 11.746 -20.577 1.00 0.00 H ATOM 470 N LEU A 305 27.877 13.065 -18.417 1.00 43.41 N ATOM 471 CA LEU A 305 27.601 14.420 -17.991 1.00 46.05 C ATOM 472 C LEU A 305 26.701 14.439 -16.769 1.00 47.12 C ATOM 473 O LEU A 305 25.691 13.734 -16.718 1.00 47.47 O ATOM 474 CB LEU A 305 26.883 15.209 -19.076 1.00 54.98 C ATOM 475 CG LEU A 305 27.671 15.524 -20.325 1.00 63.73 C ATOM 476 CD1 LEU A 305 26.677 16.165 -21.291 1.00 66.24 C ATOM 477 CD2 LEU A 305 28.839 16.444 -20.012 1.00 69.26 C ATOM 478 H LEU A 305 27.085 12.394 -18.478 1.00 0.00 H ATOM 479 N LEU A 306 27.042 15.295 -15.819 1.00 45.38 N ATOM 480 CA LEU A 306 26.184 15.576 -14.686 1.00 45.14 C ATOM 481 C LEU A 306 25.667 16.987 -14.864 1.00 44.85 C ATOM 482 O LEU A 306 26.452 17.906 -15.106 1.00 48.77 O ATOM 483 CB LEU A 306 26.935 15.460 -13.363 1.00 48.41 C ATOM 484 CG LEU A 306 26.964 14.095 -12.682 1.00 53.05 C ATOM 485 CD1 LEU A 306 27.476 13.034 -13.548 1.00 54.23 C ATOM 486 CD2 LEU A 306 27.848 14.227 -11.423 1.00 57.72 C ATOM 487 H LEU A 306 27.958 15.783 -15.888 1.00 0.00 H ATOM 488 N PHE A 307 24.350 17.145 -14.788 1.00 44.23 N ATOM 489 CA PHE A 307 23.708 18.460 -14.851 1.00 45.67 C ATOM 490 C PHE A 307 23.532 18.944 -13.413 1.00 46.07 C ATOM 491 O PHE A 307 22.476 18.819 -12.794 1.00 46.11 O ATOM 492 CB PHE A 307 22.410 18.337 -15.607 1.00 44.98 C ATOM 493 CG PHE A 307 22.619 17.908 -17.046 1.00 45.36 C ATOM 494 CD1 PHE A 307 22.648 16.572 -17.392 1.00 44.80 C ATOM 495 CD2 PHE A 307 22.835 18.855 -18.025 1.00 46.32 C ATOM 496 CE1 PHE A 307 22.853 16.181 -18.716 1.00 45.87 C ATOM 497 CE2 PHE A 307 23.051 18.471 -19.354 1.00 47.88 C ATOM 498 CZ PHE A 307 23.065 17.130 -19.683 1.00 47.39 C ATOM 499 H PHE A 307 23.751 16.302 -14.679 1.00 0.00 H ATOM 500 N ASP A 308 24.622 19.472 -12.862 1.00 47.12 N ATOM 501 CA ASP A 308 24.736 19.649 -11.415 1.00 50.94 C ATOM 502 C ASP A 308 23.880 20.781 -10.868 1.00 51.27 C ATOM 503 O ASP A 308 23.770 20.932 -9.635 1.00 51.27 O ATOM 504 CB ASP A 308 26.205 19.885 -11.042 1.00 56.23 C ATOM 505 CG ASP A 308 26.843 20.981 -11.854 1.00 57.89 C ATOM 506 OD1 ASP A 308 27.280 20.722 -12.991 1.00 58.57 O ATOM 507 OD2 ASP A 308 26.872 22.115 -11.375 1.00 59.39 O ATOM 508 H ASP A 308 25.410 19.765 -13.474 1.00 0.00 H ATOM 509 N ARG A 309 23.241 21.566 -11.726 1.00 45.99 N ATOM 510 CA ARG A 309 22.295 22.560 -11.243 1.00 48.78 C ATOM 511 C ARG A 309 20.870 22.217 -11.605 1.00 47.65 C ATOM 512 O ARG A 309 19.977 23.025 -11.377 1.00 46.48 O ATOM 513 CB ARG A 309 22.690 23.938 -11.750 1.00 56.95 C ATOM 514 CG ARG A 309 23.950 24.404 -11.034 1.00 66.63 C ATOM 515 CD ARG A 309 24.052 25.893 -10.980 1.00 73.92 C ATOM 516 NE ARG A 309 24.604 26.400 -12.221 1.00 75.20 N ATOM 517 CZ ARG A 309 24.880 27.677 -12.448 1.00 71.99 C ATOM 518 NH1 ARG A 309 24.648 28.606 -11.511 1.00 67.37 N ATOM 519 NH2 ARG A 309 25.381 28.018 -13.630 1.00 74.95 N ATOM 520 HE ARG A 309 24.796 25.718 -12.982 1.00 0.00 H ATOM 521 HH12 ARG A 309 24.869 29.604 -11.702 1.00 0.00 H ATOM 522 HH11 ARG A 309 24.247 28.329 -10.592 1.00 0.00 H ATOM 523 HH22 ARG A 309 25.606 29.013 -13.832 1.00 0.00 H ATOM 524 HH21 ARG A 309 25.549 27.290 -14.353 1.00 0.00 H ATOM 525 H ARG A 309 23.417 21.470 -12.747 1.00 0.00 H ATOM 526 N HIS A 310 20.638 21.030 -12.154 1.00 43.87 N ATOM 527 CA HIS A 310 19.288 20.643 -12.516 1.00 40.54 C ATOM 528 C HIS A 310 18.551 20.137 -11.282 1.00 43.07 C ATOM 529 O HIS A 310 19.048 19.231 -10.610 1.00 43.02 O ATOM 530 CB HIS A 310 19.289 19.562 -13.590 1.00 43.16 C ATOM 531 CG HIS A 310 17.967 19.425 -14.258 1.00 42.99 C ATOM 532 ND1 HIS A 310 16.839 18.986 -13.585 1.00 42.75 N ATOM 533 CD2 HIS A 310 17.558 19.721 -15.516 1.00 44.19 C ATOM 534 CE1 HIS A 310 15.808 18.991 -14.403 1.00 44.60 C ATOM 535 NE2 HIS A 310 16.214 19.447 -15.583 1.00 44.45 N ATOM 536 H HIS A 310 21.428 20.375 -12.325 1.00 0.00 H ATOM 537 N PRO A 311 17.356 20.648 -10.990 1.00 43.53 N ATOM 538 CA PRO A 311 16.682 20.288 -9.735 1.00 45.21 C ATOM 539 C PRO A 311 16.291 18.830 -9.666 1.00 47.73 C ATOM 540 O PRO A 311 16.094 18.310 -8.564 1.00 45.24 O ATOM 541 CB PRO A 311 15.442 21.211 -9.723 1.00 41.21 C ATOM 542 CG PRO A 311 15.158 21.467 -11.249 1.00 41.78 C ATOM 543 CD PRO A 311 16.573 21.641 -11.781 1.00 41.76 C ATOM 544 N ASP A 312 16.224 18.134 -10.784 1.00 44.51 N ATOM 545 CA ASP A 312 15.857 16.727 -10.752 1.00 41.64 C ATOM 546 C ASP A 312 17.056 15.795 -10.628 1.00 42.91 C ATOM 547 O ASP A 312 16.876 14.570 -10.627 1.00 45.88 O ATOM 548 CB ASP A 312 15.023 16.392 -11.983 1.00 43.65 C ATOM 549 CG ASP A 312 13.691 17.129 -11.990 1.00 48.81 C ATOM 550 OD1 ASP A 312 13.203 17.484 -10.901 1.00 48.86 O ATOM 551 OD2 ASP A 312 13.136 17.371 -13.091 1.00 48.19 O ATOM 552 H ASP A 312 16.435 18.593 -11.693 1.00 0.00 H ATOM 553 N GLY A 313 18.258 16.328 -10.433 1.00 43.33 N ATOM 554 CA GLY A 313 19.402 15.470 -10.155 1.00 42.34 C ATOM 555 C GLY A 313 19.783 14.636 -11.373 1.00 45.49 C ATOM 556 O GLY A 313 19.938 13.402 -11.296 1.00 43.71 O ATOM 557 H GLY A 313 18.382 17.360 -10.479 1.00 0.00 H ATOM 558 N VAL A 314 19.961 15.292 -12.509 1.00 45.57 N ATOM 559 CA VAL A 314 20.021 14.571 -13.789 1.00 40.98 C ATOM 560 C VAL A 314 21.460 14.277 -14.214 1.00 40.37 C ATOM 561 O VAL A 314 22.351 15.132 -14.104 1.00 42.16 O ATOM 562 CB VAL A 314 19.293 15.367 -14.885 1.00 44.42 C ATOM 563 CG1 VAL A 314 19.426 14.632 -16.231 1.00 45.12 C ATOM 564 CG2 VAL A 314 17.829 15.565 -14.508 1.00 44.14 C ATOM 565 H VAL A 314 20.059 16.327 -12.496 1.00 0.00 H ATOM 566 N ALA A 315 21.673 13.077 -14.759 1.00 38.94 N ATOM 567 CA ALA A 315 22.908 12.699 -15.432 1.00 40.27 C ATOM 568 C ALA A 315 22.591 12.079 -16.794 1.00 42.69 C ATOM 569 O ALA A 315 21.553 11.429 -16.961 1.00 43.43 O ATOM 570 CB ALA A 315 23.731 11.668 -14.597 1.00 40.95 C ATOM 571 H ALA A 315 20.912 12.370 -14.699 1.00 0.00 H ATOM 572 N SER A 316 23.479 12.264 -17.768 1.00 40.46 N ATOM 573 CA SER A 316 23.361 11.571 -19.056 1.00 39.85 C ATOM 574 C SER A 316 24.624 10.772 -19.345 1.00 41.46 C ATOM 575 O SER A 316 25.738 11.299 -19.235 1.00 42.33 O ATOM 576 CB SER A 316 23.086 12.551 -20.207 1.00 39.54 C ATOM 577 OG SER A 316 24.202 13.381 -20.454 1.00 36.93 O ATOM 578 HG SER A 316 24.981 12.821 -20.697 1.00 0.00 H ATOM 579 H SER A 316 24.275 12.915 -17.613 1.00 0.00 H ATOM 580 N VAL A 317 24.438 9.501 -19.717 1.00 38.19 N ATOM 581 CA VAL A 317 25.514 8.586 -20.090 1.00 40.31 C ATOM 582 C VAL A 317 25.228 8.088 -21.518 1.00 39.29 C ATOM 583 O VAL A 317 24.176 7.489 -21.759 1.00 37.64 O ATOM 584 CB VAL A 317 25.600 7.389 -19.135 1.00 36.46 C ATOM 585 CG1 VAL A 317 26.881 6.597 -19.380 1.00 39.37 C ATOM 586 CG2 VAL A 317 25.533 7.847 -17.639 1.00 41.70 C ATOM 587 H VAL A 317 23.463 9.140 -19.742 1.00 0.00 H ATOM 588 N SER A 318 26.160 8.346 -22.435 1.00 39.49 N ATOM 589 CA SER A 318 26.043 7.889 -23.823 1.00 41.03 C ATOM 590 C SER A 318 27.036 6.763 -24.076 1.00 39.10 C ATOM 591 O SER A 318 28.226 6.901 -23.772 1.00 42.00 O ATOM 592 CB SER A 318 26.313 9.024 -24.807 1.00 46.10 C ATOM 593 OG SER A 318 27.640 9.483 -24.660 1.00 58.61 O ATOM 594 HG SER A 318 28.267 8.738 -24.840 1.00 0.00 H ATOM 595 H SER A 318 27.001 8.891 -22.156 1.00 0.00 H ATOM 596 N PHE A 319 26.553 5.680 -24.678 1.00 36.37 N ATOM 597 CA PHE A 319 27.325 4.467 -24.887 1.00 36.15 C ATOM 598 C PHE A 319 27.641 4.283 -26.366 1.00 36.20 C ATOM 599 O PHE A 319 27.053 4.939 -27.224 1.00 35.09 O ATOM 600 CB PHE A 319 26.554 3.254 -24.384 1.00 35.40 C ATOM 601 CG PHE A 319 26.416 3.213 -22.874 1.00 36.01 C ATOM 602 CD1 PHE A 319 27.426 2.685 -22.098 1.00 39.97 C ATOM 603 CD2 PHE A 319 25.287 3.720 -22.256 1.00 35.36 C ATOM 604 CE1 PHE A 319 27.317 2.622 -20.704 1.00 40.79 C ATOM 605 CE2 PHE A 319 25.171 3.691 -20.847 1.00 40.36 C ATOM 606 CZ PHE A 319 26.198 3.128 -20.079 1.00 39.54 C ATOM 607 H PHE A 319 25.570 5.703 -25.017 1.00 0.00 H ATOM 608 N ARG A 320 28.543 3.331 -26.647 1.00 37.00 N ATOM 609 CA ARG A 320 28.919 3.040 -28.023 1.00 37.91 C ATOM 610 C ARG A 320 27.801 2.306 -28.758 1.00 37.92 C ATOM 611 O ARG A 320 27.596 2.536 -29.948 1.00 39.00 O ATOM 612 CB ARG A 320 30.197 2.187 -28.059 1.00 38.13 C ATOM 613 CG ARG A 320 30.604 1.719 -29.519 1.00 35.96 C ATOM 614 CD ARG A 320 30.976 2.871 -30.426 1.00 40.13 C ATOM 615 NE ARG A 320 31.328 2.358 -31.774 1.00 43.78 N ATOM 616 CZ ARG A 320 30.448 1.997 -32.700 1.00 46.95 C ATOM 617 NH1 ARG A 320 29.156 2.086 -32.454 1.00 39.53 N ATOM 618 NH2 ARG A 320 30.861 1.565 -33.896 1.00 48.07 N ATOM 619 HE ARG A 320 32.338 2.275 -32.010 1.00 0.00 H ATOM 620 HH12 ARG A 320 28.468 1.803 -33.180 1.00 0.00 H ATOM 621 HH11 ARG A 320 28.825 2.439 -31.534 1.00 0.00 H ATOM 622 HH22 ARG A 320 30.165 1.284 -34.616 1.00 0.00 H ATOM 623 HH21 ARG A 320 31.878 1.510 -34.106 1.00 0.00 H ATOM 624 H ARG A 320 28.980 2.793 -25.871 1.00 0.00 H ATOM 625 N ASP A 321 27.114 1.380 -28.074 1.00 36.07 N ATOM 626 CA ASP A 321 26.105 0.510 -28.663 1.00 35.47 C ATOM 627 C ASP A 321 24.759 0.651 -27.956 1.00 36.95 C ATOM 628 O ASP A 321 24.718 0.881 -26.741 1.00 36.68 O ATOM 629 CB ASP A 321 26.559 -0.954 -28.594 1.00 35.03 C ATOM 630 CG ASP A 321 27.772 -1.218 -29.431 1.00 44.43 C ATOM 631 OD1 ASP A 321 27.789 -0.784 -30.607 1.00 42.26 O ATOM 632 OD2 ASP A 321 28.709 -1.832 -28.911 1.00 44.60 O ATOM 633 H ASP A 321 27.314 1.276 -27.059 1.00 0.00 H ATOM 634 N PRO A 322 23.642 0.558 -28.681 1.00 35.51 N ATOM 635 CA PRO A 322 22.335 0.706 -28.016 1.00 36.68 C ATOM 636 C PRO A 322 22.054 -0.388 -27.003 1.00 36.67 C ATOM 637 O PRO A 322 21.360 -0.139 -26.013 1.00 38.59 O ATOM 638 CB PRO A 322 21.329 0.685 -29.185 1.00 42.50 C ATOM 639 CG PRO A 322 22.100 0.154 -30.356 1.00 42.07 C ATOM 640 CD PRO A 322 23.528 0.380 -30.145 1.00 38.98 C ATOM 641 N GLU A 323 22.584 -1.594 -27.225 1.00 33.37 N ATOM 642 CA GLU A 323 22.460 -2.661 -26.234 1.00 39.42 C ATOM 643 C GLU A 323 23.118 -2.293 -24.913 1.00 42.82 C ATOM 644 O GLU A 323 22.729 -2.806 -23.864 1.00 38.67 O ATOM 645 CB GLU A 323 23.102 -3.947 -26.782 1.00 44.04 C ATOM 646 CG GLU A 323 22.344 -4.565 -27.973 1.00 46.69 C ATOM 647 CD GLU A 323 22.650 -3.904 -29.311 1.00 43.92 C ATOM 648 OE1 GLU A 323 23.506 -2.995 -29.368 1.00 35.27 O ATOM 649 OE2 GLU A 323 22.028 -4.308 -30.319 1.00 41.06 O ATOM 650 H GLU A 323 23.091 -1.776 -28.114 1.00 0.00 H ATOM 651 N GLU A 324 24.158 -1.463 -24.951 1.00 38.74 N ATOM 652 CA GLU A 324 24.811 -1.050 -23.710 1.00 35.45 C ATOM 653 C GLU A 324 23.897 -0.124 -22.936 1.00 36.81 C ATOM 654 O GLU A 324 23.779 -0.231 -21.697 1.00 40.18 O ATOM 655 CB GLU A 324 26.158 -0.386 -24.039 1.00 36.14 C ATOM 656 CG GLU A 324 27.215 -1.389 -24.671 1.00 40.80 C ATOM 657 CD GLU A 324 28.491 -0.651 -25.141 1.00 43.10 C ATOM 658 OE1 GLU A 324 28.404 0.529 -25.474 1.00 42.04 O ATOM 659 OE2 GLU A 324 29.599 -1.221 -25.136 1.00 42.12 O ATOM 660 H GLU A 324 24.506 -1.108 -25.864 1.00 0.00 H ATOM 661 N ALA A 325 23.216 0.783 -23.645 1.00 35.81 N ATOM 662 CA ALA A 325 22.253 1.677 -22.982 1.00 36.53 C ATOM 663 C ALA A 325 21.103 0.885 -22.359 1.00 38.38 C ATOM 664 O ALA A 325 20.700 1.150 -21.228 1.00 41.89 O ATOM 665 CB ALA A 325 21.707 2.682 -23.997 1.00 36.66 C ATOM 666 H ALA A 325 23.368 0.857 -24.671 1.00 0.00 H ATOM 667 N ASP A 326 20.583 -0.108 -23.095 1.00 37.64 N ATOM 668 CA ASP A 326 19.541 -0.988 -22.569 1.00 41.66 C ATOM 669 C ASP A 326 19.976 -1.688 -21.276 1.00 43.82 C ATOM 670 O ASP A 326 19.201 -1.774 -20.332 1.00 44.86 O ATOM 671 CB ASP A 326 19.179 -2.042 -23.634 1.00 43.16 C ATOM 672 CG ASP A 326 18.619 -1.428 -24.919 1.00 50.09 C ATOM 673 OD1 ASP A 326 18.149 -0.276 -24.877 1.00 51.78 O ATOM 674 OD2 ASP A 326 18.670 -2.095 -25.991 1.00 52.03 O ATOM 675 H ASP A 326 20.930 -0.256 -24.064 1.00 0.00 H ATOM 676 N TYR A 327 21.185 -2.263 -21.251 1.00 41.74 N ATOM 677 CA TYR A 327 21.689 -2.962 -20.064 1.00 41.27 C ATOM 678 C TYR A 327 21.824 -1.996 -18.891 1.00 44.71 C ATOM 679 O TYR A 327 21.461 -2.325 -17.752 1.00 45.99 O ATOM 680 CB TYR A 327 23.025 -3.623 -20.443 1.00 44.28 C ATOM 681 CG TYR A 327 23.831 -4.367 -19.382 1.00 46.21 C ATOM 682 CD1 TYR A 327 23.226 -5.024 -18.315 1.00 46.37 C ATOM 683 CD2 TYR A 327 25.222 -4.428 -19.486 1.00 50.72 C ATOM 684 CE1 TYR A 327 23.989 -5.721 -17.365 1.00 53.53 C ATOM 685 CE2 TYR A 327 25.985 -5.100 -18.549 1.00 54.60 C ATOM 686 CZ TYR A 327 25.364 -5.738 -17.483 1.00 54.95 C ATOM 687 OH TYR A 327 26.131 -6.393 -16.548 1.00 56.46 O ATOM 688 HH TYR A 327 25.541 -6.791 -15.860 1.00 0.00 H ATOM 689 H TYR A 327 21.785 -2.212 -22.099 1.00 0.00 H ATOM 690 N CYS A 328 22.290 -0.782 -19.164 1.00 43.96 N ATOM 691 CA CYS A 328 22.387 0.248 -18.151 1.00 46.31 C ATOM 692 C CYS A 328 21.010 0.608 -17.611 1.00 46.85 C ATOM 693 O CYS A 328 20.804 0.657 -16.402 1.00 45.83 O ATOM 694 CB CYS A 328 23.084 1.471 -18.737 1.00 41.34 C ATOM 695 SG CYS A 328 23.046 2.940 -17.635 1.00 59.31 S ATOM 696 H CYS A 328 22.594 -0.565 -20.135 1.00 0.00 H ATOM 697 N ILE A 329 20.040 0.817 -18.499 1.00 42.72 N ATOM 698 CA ILE A 329 18.689 1.154 -18.063 1.00 39.91 C ATOM 699 C ILE A 329 18.104 0.034 -17.214 1.00 46.60 C ATOM 700 O ILE A 329 17.516 0.280 -16.159 1.00 47.77 O ATOM 701 CB ILE A 329 17.804 1.440 -19.291 1.00 43.68 C ATOM 702 CG1 ILE A 329 18.179 2.773 -19.899 1.00 40.99 C ATOM 703 CG2 ILE A 329 16.309 1.463 -18.922 1.00 48.72 C ATOM 704 CD1 ILE A 329 17.751 2.834 -21.401 1.00 40.22 C ATOM 705 H ILE A 329 20.248 0.739 -19.515 1.00 0.00 H ATOM 706 N GLN A 330 18.245 -1.211 -17.674 1.00 46.58 N ATOM 707 CA GLN A 330 17.715 -2.346 -16.932 1.00 51.28 C ATOM 708 C GLN A 330 18.280 -2.414 -15.519 1.00 55.30 C ATOM 709 O GLN A 330 17.555 -2.717 -14.566 1.00 60.83 O ATOM 710 CB GLN A 330 18.047 -3.644 -17.666 1.00 55.02 C ATOM 711 CG GLN A 330 17.448 -3.779 -19.071 1.00 59.74 C ATOM 712 CD GLN A 330 18.186 -4.855 -19.911 1.00 68.79 C ATOM 713 OE1 GLN A 330 18.920 -5.683 -19.366 1.00 79.65 O ATOM 714 NE2 GLN A 330 18.001 -4.826 -21.229 1.00 64.21 N ATOM 715 HE22 GLN A 330 17.374 -4.112 -21.650 1.00 0.00 H ATOM 716 HE21 GLN A 330 18.484 -5.518 -21.837 1.00 0.00 H ATOM 717 H GLN A 330 18.740 -1.372 -18.574 1.00 0.00 H ATOM 718 N THR A 331 19.581 -2.157 -15.370 1.00 51.72 N ATOM 719 CA THR A 331 20.244 -2.344 -14.088 1.00 53.94 C ATOM 720 C THR A 331 20.038 -1.158 -13.156 1.00 55.84 C ATOM 721 O THR A 331 19.925 -1.341 -11.947 1.00 59.26 O ATOM 722 CB THR A 331 21.737 -2.583 -14.317 1.00 51.48 C ATOM 723 OG1 THR A 331 21.906 -3.524 -15.380 1.00 48.08 O ATOM 724 CG2 THR A 331 22.385 -3.161 -13.086 1.00 50.48 C ATOM 725 HG1 THR A 331 22.872 -3.680 -15.530 1.00 0.00 H ATOM 726 H THR A 331 20.131 -1.817 -16.185 1.00 0.00 H ATOM 727 N LEU A 332 19.970 0.058 -13.683 1.00 51.53 N ATOM 728 CA LEU A 332 19.965 1.220 -12.812 1.00 53.52 C ATOM 729 C LEU A 332 18.580 1.704 -12.436 1.00 59.21 C ATOM 730 O LEU A 332 18.432 2.329 -11.374 1.00 56.25 O ATOM 731 CB LEU A 332 20.702 2.390 -13.459 1.00 52.75 C ATOM 732 CG LEU A 332 22.214 2.221 -13.625 1.00 52.53 C ATOM 733 CD1 LEU A 332 22.782 3.569 -14.050 1.00 51.30 C ATOM 734 CD2 LEU A 332 22.863 1.718 -12.349 1.00 56.38 C ATOM 735 H LEU A 332 19.921 0.178 -14.715 1.00 0.00 H ATOM 736 N ASP A 333 17.566 1.443 -13.260 1.00 55.34 N ATOM 737 CA ASP A 333 16.248 2.006 -12.981 1.00 54.27 C ATOM 738 C ASP A 333 15.711 1.438 -11.674 1.00 57.83 C ATOM 739 O ASP A 333 15.654 0.222 -11.500 1.00 59.26 O ATOM 740 CB ASP A 333 15.277 1.692 -14.122 1.00 57.12 C ATOM 741 CG ASP A 333 13.916 2.377 -13.928 1.00 67.58 C ATOM 742 OD1 ASP A 333 13.870 3.617 -13.805 1.00 68.95 O ATOM 743 OD2 ASP A 333 12.888 1.677 -13.892 1.00 80.80 O ATOM 744 H ASP A 333 17.712 0.842 -14.096 1.00 0.00 H ATOM 745 N GLY A 334 15.343 2.318 -10.747 1.00 57.80 N ATOM 746 CA GLY A 334 14.862 1.878 -9.454 1.00 61.95 C ATOM 747 C GLY A 334 15.935 1.538 -8.443 1.00 62.41 C ATOM 748 O GLY A 334 15.599 1.231 -7.293 1.00 65.10 O ATOM 749 H GLY A 334 15.401 3.336 -10.954 1.00 0.00 H ATOM 750 N ARG A 335 17.209 1.585 -8.821 1.00 60.86 N ATOM 751 CA ARG A 335 18.262 1.326 -7.851 1.00 64.07 C ATOM 752 C ARG A 335 18.419 2.514 -6.910 1.00 63.76 C ATOM 753 O ARG A 335 17.931 3.616 -7.171 1.00 62.08 O ATOM 754 CB ARG A 335 19.578 1.014 -8.557 1.00 68.93 C ATOM 755 CG ARG A 335 19.934 -0.462 -8.476 1.00 83.91 C ATOM 756 CD ARG A 335 21.232 -0.762 -9.157 1.00 98.22 C ATOM 757 NE ARG A 335 22.380 -0.672 -8.262 1.00 93.73 N ATOM 758 CZ ARG A 335 23.638 -0.796 -8.677 1.00 84.81 C ATOM 759 NH1 ARG A 335 23.890 -1.007 -9.964 1.00 80.56 N ATOM 760 NH2 ARG A 335 24.641 -0.718 -7.819 1.00 78.72 N ATOM 761 HE ARG A 335 22.207 -0.503 -7.251 1.00 0.00 H ATOM 762 HH12 ARG A 335 24.872 -1.104 -10.292 1.00 0.00 H ATOM 763 HH11 ARG A 335 23.105 -1.075 -10.643 1.00 0.00 H ATOM 764 HH22 ARG A 335 25.621 -0.816 -8.154 1.00 0.00 H ATOM 765 HH21 ARG A 335 24.450 -0.558 -6.809 1.00 0.00 H ATOM 766 H ARG A 335 17.452 1.806 -9.808 1.00 0.00 H ATOM 767 N TRP A 336 19.077 2.270 -5.778 1.00 63.26 N ATOM 768 CA TRP A 336 19.267 3.293 -4.764 1.00 68.35 C ATOM 769 C TRP A 336 20.677 3.853 -4.863 1.00 69.21 C ATOM 770 O TRP A 336 21.632 3.122 -5.139 1.00 71.87 O ATOM 771 CB TRP A 336 19.005 2.737 -3.355 1.00 72.82 C ATOM 772 CG TRP A 336 17.537 2.527 -3.094 1.00 76.83 C ATOM 773 CD1 TRP A 336 16.774 1.453 -3.473 1.00 78.49 C ATOM 774 CD2 TRP A 336 16.655 3.425 -2.421 1.00 74.08 C ATOM 775 NE1 TRP A 336 15.474 1.629 -3.063 1.00 78.92 N ATOM 776 CE2 TRP A 336 15.375 2.833 -2.420 1.00 75.84 C ATOM 777 CE3 TRP A 336 16.823 4.669 -1.812 1.00 72.19 C ATOM 778 CZ2 TRP A 336 14.275 3.446 -1.839 1.00 76.27 C ATOM 779 CZ3 TRP A 336 15.735 5.272 -1.240 1.00 74.23 C ATOM 780 CH2 TRP A 336 14.473 4.662 -1.252 1.00 76.07 C ATOM 781 HE1 TRP A 336 14.694 0.958 -3.216 1.00 0.00 H ATOM 782 H TRP A 336 19.466 1.319 -5.615 1.00 0.00 H ATOM 783 N PHE A 337 20.785 5.169 -4.674 1.00 64.09 N ATOM 784 CA PHE A 337 22.060 5.881 -4.743 1.00 64.65 C ATOM 785 C PHE A 337 22.060 6.966 -3.666 1.00 67.38 C ATOM 786 O PHE A 337 21.266 7.918 -3.722 1.00 68.68 O ATOM 787 CB PHE A 337 22.265 6.473 -6.134 1.00 65.99 C ATOM 788 CG PHE A 337 23.600 7.115 -6.332 1.00 70.55 C ATOM 789 CD1 PHE A 337 24.669 6.368 -6.802 1.00 77.56 C ATOM 790 CD2 PHE A 337 23.786 8.478 -6.065 1.00 65.88 C ATOM 791 CE1 PHE A 337 25.906 6.947 -7.001 1.00 78.97 C ATOM 792 CE2 PHE A 337 25.027 9.074 -6.260 1.00 65.77 C ATOM 793 CZ PHE A 337 26.094 8.300 -6.727 1.00 71.32 C ATOM 794 H PHE A 337 19.923 5.713 -4.468 1.00 0.00 H ATOM 795 N GLY A 338 22.939 6.807 -2.686 1.00 69.05 N ATOM 796 CA GLY A 338 23.080 7.808 -1.630 1.00 70.64 C ATOM 797 C GLY A 338 21.789 8.135 -0.919 1.00 75.06 C ATOM 798 O GLY A 338 21.573 9.289 -0.526 1.00 77.84 O ATOM 799 H GLY A 338 23.538 5.957 -2.668 1.00 0.00 H ATOM 800 N GLY A 339 20.917 7.137 -0.732 1.00 79.73 N ATOM 801 CA GLY A 339 19.642 7.360 -0.070 1.00 80.44 C ATOM 802 C GLY A 339 18.523 7.843 -0.974 1.00 75.39 C ATOM 803 O GLY A 339 17.428 8.148 -0.471 1.00 71.50 O ATOM 804 H GLY A 339 21.156 6.182 -1.067 1.00 0.00 H ATOM 805 N ARG A 340 18.766 7.937 -2.277 1.00 75.39 N ATOM 806 CA ARG A 340 17.761 8.342 -3.250 1.00 70.59 C ATOM 807 C ARG A 340 17.479 7.177 -4.188 1.00 62.57 C ATOM 808 O ARG A 340 18.410 6.506 -4.659 1.00 56.72 O ATOM 809 CB ARG A 340 18.224 9.553 -4.090 1.00 70.48 C ATOM 810 CG ARG A 340 18.844 10.720 -3.307 1.00 69.13 C ATOM 811 CD ARG A 340 19.165 11.917 -4.246 1.00 69.37 C ATOM 812 NE ARG A 340 19.072 13.173 -3.513 1.00 79.24 N ATOM 813 CZ ARG A 340 17.996 13.951 -3.484 1.00 85.55 C ATOM 814 NH1 ARG A 340 16.914 13.638 -4.183 1.00 69.41 N ATOM 815 NH2 ARG A 340 18.007 15.058 -2.755 1.00108.37 N ATOM 816 HE ARG A 340 19.907 13.482 -2.975 1.00 0.00 H ATOM 817 HH12 ARG A 340 16.078 14.256 -4.152 1.00 0.00 H ATOM 818 HH11 ARG A 340 16.901 12.775 -4.763 1.00 0.00 H ATOM 819 HH22 ARG A 340 17.168 15.671 -2.728 1.00 0.00 H ATOM 820 HH21 ARG A 340 18.855 15.313 -2.210 1.00 0.00 H ATOM 821 H ARG A 340 19.722 7.710 -2.619 1.00 0.00 H ATOM 822 N GLN A 341 16.201 6.942 -4.484 1.00 60.72 N ATOM 823 CA GLN A 341 15.847 5.970 -5.517 1.00 61.38 C ATOM 824 C GLN A 341 15.889 6.664 -6.876 1.00 50.93 C ATOM 825 O GLN A 341 15.194 7.666 -7.083 1.00 53.48 O ATOM 826 CB GLN A 341 14.466 5.383 -5.251 1.00 67.69 C ATOM 827 CG GLN A 341 14.150 4.214 -6.167 1.00 70.07 C ATOM 828 CD GLN A 341 13.004 3.367 -5.645 1.00 76.20 C ATOM 829 OE1 GLN A 341 12.088 3.873 -5.011 1.00 78.49 O ATOM 830 NE2 GLN A 341 13.060 2.073 -5.907 1.00 81.05 N ATOM 831 HE22 GLN A 341 13.858 1.686 -6.450 1.00 0.00 H ATOM 832 HE21 GLN A 341 12.306 1.441 -5.570 1.00 0.00 H ATOM 833 H GLN A 341 15.451 7.453 -3.977 1.00 0.00 H ATOM 834 N ILE A 342 16.684 6.145 -7.789 1.00 51.91 N ATOM 835 CA ILE A 342 16.930 6.824 -9.057 1.00 50.11 C ATOM 836 C ILE A 342 16.089 6.178 -10.149 1.00 51.46 C ATOM 837 O ILE A 342 15.647 5.032 -10.042 1.00 53.04 O ATOM 838 CB ILE A 342 18.431 6.805 -9.446 1.00 49.70 C ATOM 839 CG1 ILE A 342 18.871 5.386 -9.827 1.00 55.95 C ATOM 840 CG2 ILE A 342 19.289 7.389 -8.341 1.00 51.90 C ATOM 841 CD1 ILE A 342 20.307 5.316 -10.280 1.00 58.95 C ATOM 842 H ILE A 342 17.146 5.232 -7.602 1.00 0.00 H ATOM 843 N THR A 343 15.893 6.921 -11.232 1.00 49.85 N ATOM 844 CA THR A 343 15.305 6.394 -12.451 1.00 51.28 C ATOM 845 C THR A 343 16.338 6.435 -13.568 1.00 47.82 C ATOM 846 O THR A 343 17.223 7.297 -13.593 1.00 48.59 O ATOM 847 CB THR A 343 14.091 7.212 -12.882 1.00 55.38 C ATOM 848 OG1 THR A 343 14.506 8.574 -13.079 1.00 52.80 O ATOM 849 CG2 THR A 343 12.973 7.144 -11.812 1.00 57.77 C ATOM 850 HG1 THR A 343 15.203 8.607 -13.781 1.00 0.00 H ATOM 851 H THR A 343 16.172 7.922 -11.206 1.00 0.00 H ATOM 852 N ALA A 344 16.203 5.513 -14.504 1.00 47.46 N ATOM 853 CA ALA A 344 17.042 5.515 -15.691 1.00 47.42 C ATOM 854 C ALA A 344 16.157 5.177 -16.876 1.00 48.67 C ATOM 855 O ALA A 344 15.399 4.200 -16.820 1.00 49.04 O ATOM 856 CB ALA A 344 18.198 4.517 -15.554 1.00 45.34 C ATOM 857 H ALA A 344 15.483 4.772 -14.390 1.00 0.00 H ATOM 858 N GLN A 345 16.275 5.969 -17.947 1.00 49.49 N ATOM 859 CA GLN A 345 15.437 5.811 -19.127 1.00 50.04 C ATOM 860 C GLN A 345 16.219 6.254 -20.355 1.00 47.54 C ATOM 861 O GLN A 345 17.092 7.123 -20.275 1.00 42.78 O ATOM 862 CB GLN A 345 14.139 6.638 -19.001 1.00 63.17 C ATOM 863 CG GLN A 345 14.273 8.075 -19.549 1.00 91.70 C ATOM 864 CD GLN A 345 13.496 9.126 -18.760 1.00 93.26 C ATOM 865 OE1 GLN A 345 13.545 9.161 -17.526 1.00 81.25 O ATOM 866 NE2 GLN A 345 12.807 10.010 -19.480 1.00 95.88 N ATOM 867 HE22 GLN A 345 12.796 9.940 -20.518 1.00 0.00 H ATOM 868 HE21 GLN A 345 12.280 10.770 -19.005 1.00 0.00 H ATOM 869 H GLN A 345 16.990 6.724 -17.937 1.00 0.00 H ATOM 870 N ALA A 346 15.882 5.672 -21.499 1.00 45.77 N ATOM 871 CA ALA A 346 16.436 6.143 -22.762 1.00 46.61 C ATOM 872 C ALA A 346 16.096 7.608 -22.976 1.00 47.36 C ATOM 873 O ALA A 346 14.974 8.050 -22.691 1.00 50.81 O ATOM 874 CB ALA A 346 15.890 5.310 -23.914 1.00 49.63 C ATOM 875 H ALA A 346 15.217 4.873 -21.494 1.00 0.00 H ATOM 876 N TRP A 347 17.088 8.378 -23.441 1.00 43.20 N ATOM 877 CA TRP A 347 16.856 9.776 -23.805 1.00 44.16 C ATOM 878 C TRP A 347 15.728 9.844 -24.823 1.00 49.01 C ATOM 879 O TRP A 347 15.609 8.970 -25.701 1.00 49.39 O ATOM 880 CB TRP A 347 18.135 10.390 -24.415 1.00 45.13 C ATOM 881 CG TRP A 347 18.063 11.883 -24.803 1.00 50.41 C ATOM 882 CD1 TRP A 347 17.437 12.883 -24.114 1.00 52.47 C ATOM 883 CD2 TRP A 347 18.692 12.514 -25.936 1.00 51.90 C ATOM 884 NE1 TRP A 347 17.616 14.088 -24.753 1.00 55.49 N ATOM 885 CE2 TRP A 347 18.389 13.894 -25.867 1.00 53.16 C ATOM 886 CE3 TRP A 347 19.472 12.045 -27.009 1.00 52.23 C ATOM 887 CZ2 TRP A 347 18.828 14.814 -26.838 1.00 56.31 C ATOM 888 CZ3 TRP A 347 19.915 12.957 -27.972 1.00 55.62 C ATOM 889 CH2 TRP A 347 19.583 14.326 -27.886 1.00 56.92 C ATOM 890 HE1 TRP A 347 17.227 15.000 -24.440 1.00 0.00 H ATOM 891 H TRP A 347 18.041 7.975 -23.545 1.00 0.00 H ATOM 892 N ASP A 348 14.910 10.882 -24.723 1.00 49.78 N ATOM 893 CA ASP A 348 13.821 11.055 -25.674 1.00 58.30 C ATOM 894 C ASP A 348 14.280 11.718 -26.970 1.00 59.34 C ATOM 895 O ASP A 348 13.458 11.903 -27.867 1.00 58.74 O ATOM 896 CB ASP A 348 12.657 11.849 -25.033 1.00 62.74 C ATOM 897 CG ASP A 348 13.023 13.282 -24.670 1.00 63.49 C ATOM 898 OD1 ASP A 348 14.007 13.818 -25.237 1.00 60.27 O ATOM 899 OD2 ASP A 348 12.302 13.881 -23.822 1.00 64.73 O ATOM 900 H ASP A 348 15.047 11.577 -23.961 1.00 0.00 H ATOM 901 N GLY A 349 15.565 12.055 -27.099 1.00 59.92 N ATOM 902 CA GLY A 349 16.101 12.626 -28.315 1.00 59.19 C ATOM 903 C GLY A 349 15.863 14.106 -28.476 1.00 62.69 C ATOM 904 O GLY A 349 16.413 14.707 -29.412 1.00 65.82 O ATOM 905 H GLY A 349 16.205 11.901 -26.294 1.00 0.00 H ATOM 906 N THR A 350 15.068 14.720 -27.605 1.00 61.88 N ATOM 907 CA THR A 350 14.740 16.141 -27.733 1.00 63.76 C ATOM 908 C THR A 350 14.997 16.963 -26.469 1.00 72.12 C ATOM 909 O THR A 350 15.379 18.133 -26.578 1.00 69.39 O ATOM 910 CB THR A 350 13.255 16.302 -28.146 1.00 75.29 C ATOM 911 OG1 THR A 350 12.401 16.085 -27.016 1.00 92.05 O ATOM 912 CG2 THR A 350 12.884 15.308 -29.226 1.00 70.85 C ATOM 913 HG1 THR A 350 12.544 15.170 -26.667 1.00 0.00 H ATOM 914 H THR A 350 14.669 14.177 -26.813 1.00 0.00 H ATOM 915 N THR A 351 14.788 16.405 -25.273 1.00 64.10 N ATOM 916 CA THR A 351 14.870 17.232 -24.068 1.00 61.37 C ATOM 917 C THR A 351 16.319 17.542 -23.710 1.00 54.93 C ATOM 918 O THR A 351 17.201 16.688 -23.790 1.00 50.21 O ATOM 919 CB THR A 351 14.166 16.549 -22.902 1.00 64.57 C ATOM 920 OG1 THR A 351 12.787 16.354 -23.236 1.00 64.47 O ATOM 921 CG2 THR A 351 14.251 17.397 -21.634 1.00 63.42 C ATOM 922 HG1 THR A 351 12.722 15.786 -24.044 1.00 0.00 H ATOM 923 H THR A 351 14.569 15.391 -25.199 1.00 0.00 H ATOM 924 N ASP A 352 16.560 18.786 -23.336 1.00 55.14 N ATOM 925 CA ASP A 352 17.856 19.260 -22.870 1.00 63.65 C ATOM 926 C ASP A 352 17.773 19.444 -21.359 1.00 61.98 C ATOM 927 O ASP A 352 16.679 19.605 -20.808 1.00 52.09 O ATOM 928 CB ASP A 352 18.238 20.592 -23.536 1.00 78.42 C ATOM 929 CG ASP A 352 18.704 20.418 -24.974 1.00 89.65 C ATOM 930 OD1 ASP A 352 19.537 19.526 -25.230 1.00 91.32 O ATOM 931 OD2 ASP A 352 18.240 21.174 -25.852 1.00 96.48 O ATOM 932 H ASP A 352 15.776 19.469 -23.377 1.00 0.00 H ATOM 933 N TYR A 353 18.936 19.452 -20.697 1.00 55.03 N ATOM 934 CA TYR A 353 18.978 19.462 -19.233 1.00 50.82 C ATOM 935 C TYR A 353 19.950 20.526 -18.709 1.00 58.34 C ATOM 936 O TYR A 353 19.996 20.772 -17.493 1.00 55.22 O ATOM 937 CB TYR A 353 19.330 18.070 -18.701 1.00 45.25 C ATOM 938 CG TYR A 353 18.279 17.040 -19.048 1.00 46.28 C ATOM 939 CD1 TYR A 353 17.063 16.965 -18.353 1.00 48.99 C ATOM 940 CD2 TYR A 353 18.468 16.179 -20.119 1.00 43.83 C ATOM 941 CE1 TYR A 353 16.090 16.016 -18.713 1.00 50.91 C ATOM 942 CE2 TYR A 353 17.508 15.260 -20.487 1.00 45.89 C ATOM 943 CZ TYR A 353 16.328 15.175 -19.796 1.00 48.11 C ATOM 944 OH TYR A 353 15.430 14.211 -20.218 1.00 48.58 O ATOM 945 OXT TYR A 353 20.669 21.199 -19.467 1.00 55.51 O ATOM 946 HH TYR A 353 14.621 14.244 -19.648 1.00 0.00 H ATOM 947 H TYR A 353 19.827 19.451 -21.233 1.00 0.00 H TER 948 TYR A 353 HETATM 949 O HOH 1 19.456 -6.849 -17.570 1.00 64.18 O HETATM 950 O HOH 2 22.609 22.376 -18.958 1.00 53.72 O HETATM 951 O HOH 3 36.412 6.890 -11.462 1.00 73.64 O HETATM 952 O HOH 4 20.442 -6.027 -30.448 1.00 42.82 O HETATM 953 O HOH 5 15.653 8.364 -28.572 1.00 52.39 O HETATM 954 O HOH 6 18.869 -4.501 -26.074 1.00 57.76 O HETATM 955 O HOH 7 13.257 14.451 -19.163 1.00 54.82 O HETATM 956 O HOH 8 11.805 4.761 -14.440 1.00 63.26 O HETATM 957 O HOH 9 15.263 8.799 -15.794 1.00 52.74 O HETATM 958 O HOH 10 20.994 -5.811 -14.917 1.00 54.95 O HETATM 959 O HOH 11 11.630 19.285 -13.716 1.00 53.82 O HETATM 960 O HOH 12 14.678 14.552 -7.482 1.00 45.80 O HETATM 961 O HOH 13 30.975 -1.387 -27.431 1.00 44.55 O HETATM 962 O HOH 14 26.325 0.000 -32.524 1.00 39.55 O HETATM 963 O HOH 15 25.609 -6.175 -14.072 1.00 66.29 O HETATM 964 O HOH 16 19.323 24.801 -9.663 1.00 43.87 O HETATM 965 O HOH 17 29.408 -3.767 -24.838 1.00 44.33 O HETATM 966 O HOH 18 34.327 7.487 -19.105 1.00 62.84 O HETATM 967 O HOH 19 29.373 16.842 -16.049 1.00 54.57 O HETATM 968 O HOH 20 27.638 11.258 -31.308 1.00 59.78 O HETATM 969 O HOH 21 24.668 23.086 -6.786 1.00 59.12 O HETATM 970 O HOH 22 30.550 19.130 -4.682 1.00 56.17 O HETATM 971 O HOH 23 28.719 18.761 -13.942 1.00 56.26 O HETATM 972 O HOH 24 18.614 1.575 -26.921 1.00 53.94 O HETATM 973 O HOH 25 21.034 13.559 -1.811 1.00 60.14 O HETATM 974 O HOH 26 33.785 -0.619 -12.866 1.00 55.78 O HETATM 975 O HOH 27 20.248 22.566 -15.553 1.00 43.95 O HETATM 976 O HOH 28 33.570 8.347 -6.140 1.00 63.27 O HETATM 977 O HOH 29 31.710 13.499 0.611 1.00 80.21 O HETATM 978 O HOH 30 28.338 -3.870 -27.152 1.00 50.49 O HETATM 979 O HOH 31 34.649 4.823 -18.537 1.00 55.49 O HETATM 980 O HOH 32 13.213 2.805 -17.693 1.00 68.69 O HETATM 981 O HOH 33 13.626 16.055 -15.440 1.00 56.42 O HETATM 982 O HOH 34 14.410 13.599 -9.895 1.00 52.58 O HETATM 983 O HOH 35 13.798 3.830 -21.502 1.00 49.04 O HETATM 984 O HOH 36 24.660 14.289 -3.205 1.00 62.57 O HETATM 985 O HOH 37 22.288 6.774 -30.814 1.00 47.54 O HETATM 986 O HOH 38 16.559 15.885 -7.259 1.00 45.22 O HETATM 987 O HOH 39 23.865 11.693 -4.099 1.00 56.15 O HETATM 988 O HOH 40 26.003 11.839 -22.057 1.00 43.27 O HETATM 989 O HOH 41 21.080 18.557 -22.276 1.00 60.72 O HETATM 990 O HOH 42 26.312 22.894 -8.729 1.00 57.75 O HETATM 991 O HOH 43 26.429 11.493 -26.848 1.00 54.41 O HETATM 992 O HOH 44 14.644 12.170 -22.022 1.00 50.69 O HETATM 993 O HOH 45 12.219 20.048 -10.172 1.00 55.09 O HETATM 994 O HOH 46 22.894 21.711 -14.570 1.00 44.86 O HETATM 995 O HOH 47 13.944 18.874 -6.742 1.00 58.19 O HETATM 996 O HOH 48 14.119 8.553 -3.321 1.00 63.72 O HETATM 997 O HOH 49 16.254 2.814 -29.423 1.00 60.63 O HETATM 998 O HOH 50 26.797 19.789 -17.270 1.00 67.29 O HETATM 999 O HOH 51 21.696 -5.485 -23.540 1.00 55.43 O HETATM 1000 O HOH 52 33.920 0.443 -20.083 1.00 47.13 O HETATM 1001 O HOH 53 33.728 2.899 -20.668 1.00 48.74 O HETATM 1002 O HOH 54 33.686 -1.374 -30.302 1.00 56.31 O HETATM 1003 O HOH 55 14.904 19.550 -18.206 1.00 55.00 O HETATM 1004 O HOH 56 13.003 16.409 -8.132 1.00 62.34 O HETATM 1005 O HOH 57 12.743 4.472 -9.361 1.00 62.32 O HETATM 1006 O HOH 58 22.905 14.809 -23.116 1.00 58.66 O HETATM 1007 O HOH 59 14.127 20.742 -22.919 1.00 78.35 O HETATM 1008 O HOH 60 13.295 17.801 -17.488 1.00 52.94 O HETATM 1009 O HOH 61 26.868 -10.270 -16.175 1.00 69.07 O HETATM 1010 O HOH 62 23.102 -7.403 -14.000 1.00 74.69 O HETATM 1011 O HOH 63 36.283 4.972 -14.448 1.00 68.24 O HETATM 1012 O HOH 64 24.698 27.522 -7.020 1.00 60.19 O HETATM 1013 O HOH 65 19.615 -0.259 -4.675 1.00 58.68 O HETATM 1014 O HOH 66 24.913 10.634 0.106 1.00 65.22 O HETATM 1015 N SER A 67 31.494 4.143 -2.016 1.00 0.24 N HETATM 1016 CA SER A 67 30.510 4.492 -3.015 1.00 0.09 C HETATM 1017 C SER A 67 29.151 4.648 -2.408 1.00 0.23 C HETATM 1018 O SER A 67 28.891 4.147 -1.345 1.00 -0.39 O HETATM 1019 N SER A 67 28.285 5.333 -3.137 1.00 -0.26 N HETATM 1020 CA SER A 67 26.934 5.574 -2.721 1.00 0.13 C HETATM 1021 C SER A 67 25.982 4.585 -3.304 1.00 0.20 C HETATM 1022 O SER A 67 24.817 4.627 -3.037 1.00 -0.39 O HETATM 1023 N SER A 67 26.481 3.678 -4.110 1.00 -0.26 N HETATM 1024 CA SER A 67 25.619 2.688 -4.712 1.00 0.14 C HETATM 1025 C SER A 67 24.922 1.785 -3.727 1.00 0.21 C HETATM 1026 O SER A 67 25.528 1.184 -2.871 1.00 -0.39 O HETATM 1027 N SER A 67 23.620 1.719 -3.895 1.00 -0.26 N HETATM 1028 CA SER A 67 22.724 0.895 -3.127 1.00 0.14 C HETATM 1029 C SER A 67 22.334 1.283 -1.694 1.00 0.21 C HETATM 1030 O SER A 67 21.577 0.562 -1.064 1.00 -0.39 O HETATM 1031 N SER A 67 22.810 2.425 -1.217 1.00 -0.26 N HETATM 1032 CA SER A 67 22.448 2.945 0.100 1.00 0.13 C HETATM 1033 C SER A 67 20.994 3.353 0.114 1.00 0.20 C HETATM 1034 O SER A 67 20.628 4.262 -0.580 1.00 -0.39 O HETATM 1035 N SER A 67 20.170 2.692 0.906 1.00 -0.27 N HETATM 1036 CA SER A 67 18.746 3.000 0.966 1.00 0.09 C HETATM 1037 C SER A 67 18.376 4.047 1.997 1.00 0.06 C HETATM 1038 O SER A 67 19.242 4.714 2.541 1.00 -0.57 O HETATM 1039 OXT SER A 67 17.207 4.236 2.296 1.00 -0.57 O HETATM 1040 CB SER A 67 17.931 1.732 1.188 1.00 -0.03 C HETATM 1041 H46 SER A 67 16.862 1.986 1.230 1.00 0.03 H HETATM 1042 H47 SER A 67 18.234 1.263 2.136 1.00 0.03 H HETATM 1043 H48 SER A 67 18.109 1.032 0.359 1.00 0.03 H HETATM 1044 H45 SER A 67 18.467 3.407 -0.017 1.00 0.07 H HETATM 1045 H44 SER A 67 20.533 1.959 1.481 1.00 0.19 H HETATM 1046 CB SER A 67 23.243 4.195 0.418 1.00 -0.01 C HETATM 1047 CG1 SER A 67 22.846 4.780 1.748 1.00 -0.06 C HETATM 1048 H38 SER A 67 23.442 5.683 1.944 1.00 0.02 H HETATM 1049 H39 SER A 67 23.028 4.041 2.542 1.00 0.02 H HETATM 1050 H40 SER A 67 21.778 5.043 1.729 1.00 0.02 H HETATM 1051 CG2 SER A 67 24.719 3.914 0.385 1.00 -0.06 C HETATM 1052 H41 SER A 67 24.989 3.488 -0.592 1.00 0.02 H HETATM 1053 H42 SER A 67 24.974 3.198 1.180 1.00 0.02 H HETATM 1054 H43 SER A 67 25.274 4.850 0.543 1.00 0.02 H HETATM 1055 H37 SER A 67 23.021 4.941 -0.359 1.00 0.03 H HETATM 1056 H36 SER A 67 22.635 2.173 0.861 1.00 0.08 H HETATM 1057 H35 SER A 67 23.444 2.953 -1.782 1.00 0.19 H HETATM 1058 CB SER A 67 23.161 -0.529 -3.208 1.00 0.04 C HETATM 1059 CG SER A 67 22.987 -1.072 -4.580 1.00 0.04 C HETATM 1060 OD1 SER A 67 21.845 -1.235 -4.996 1.00 -0.57 O HETATM 1061 OD2 SER A 67 23.988 -1.279 -5.243 1.00 -0.57 O HETATM 1062 H33 SER A 67 22.561 -1.128 -2.507 1.00 0.05 H HETATM 1063 H34 SER A 67 24.223 -0.594 -2.929 1.00 0.05 H HETATM 1064 H32 SER A 67 21.774 0.950 -3.678 1.00 0.08 H HETATM 1065 H31 SER A 67 23.220 2.287 -4.614 1.00 0.19 H HETATM 1066 CB SER A 67 26.348 1.893 -5.783 1.00 0.00 C HETATM 1067 CG SER A 67 26.445 2.698 -7.035 1.00 -0.04 C HETATM 1068 CD1 SER A 67 27.530 3.293 -7.531 1.00 0.02 C HETATM 1069 NE1 SER A 67 27.220 3.993 -8.639 1.00 -0.29 N HETATM 1070 CE2 SER A 67 25.888 3.875 -8.861 1.00 0.06 C HETATM 1071 CD2 SER A 67 25.375 3.074 -7.868 1.00 -0.02 C HETATM 1072 CE3 SER A 67 24.031 2.808 -7.864 1.00 -0.07 C HETATM 1073 CZ3 SER A 67 23.283 3.321 -8.797 1.00 -0.08 C HETATM 1074 CH2 SER A 67 23.809 4.097 -9.783 1.00 -0.08 C HETATM 1075 CZ2 SER A 67 25.116 4.402 -9.824 1.00 -0.04 C HETATM 1076 H28 SER A 67 25.527 5.042 -10.596 1.00 0.05 H HETATM 1077 H30 SER A 67 23.154 4.480 -10.557 1.00 0.05 H HETATM 1078 H29 SER A 67 22.217 3.126 -8.789 1.00 0.05 H HETATM 1079 H27 SER A 67 23.597 2.179 -7.095 1.00 0.05 H HETATM 1080 H26 SER A 67 27.883 4.527 -9.219 1.00 0.22 H HETATM 1081 H25 SER A 67 28.528 3.223 -7.100 1.00 0.08 H HETATM 1082 H23 SER A 67 25.795 0.965 -5.988 1.00 0.04 H HETATM 1083 H24 SER A 67 27.360 1.646 -5.429 1.00 0.04 H HETATM 1084 H22 SER A 67 24.823 3.249 -5.224 1.00 0.08 H HETATM 1085 H21 SER A 67 27.461 3.672 -4.308 1.00 0.19 H HETATM 1086 CB SER A 67 26.523 6.964 -3.141 1.00 -0.01 C HETATM 1087 CG SER A 67 27.337 8.085 -2.530 1.00 -0.02 C HETATM 1088 CD SER A 67 26.644 9.405 -2.736 1.00 0.06 C HETATM 1089 NE SER A 67 27.012 10.486 -1.847 1.00 -0.27 N HETATM 1090 CZ SER A 67 28.226 10.960 -1.652 1.00 0.29 C HETATM 1091 NH1 SER A 67 29.278 10.449 -2.227 1.00 -0.28 N HETATM 1092 H17 SER A 67 30.209 10.850 -2.047 1.00 0.26 H HETATM 1093 H18 SER A 67 29.178 9.644 -2.861 1.00 0.26 H HETATM 1094 NH2 SER A 67 28.382 11.950 -0.826 1.00 -0.28 N HETATM 1095 H19 SER A 67 27.563 12.367 -0.362 1.00 0.26 H HETATM 1096 H20 SER A 67 29.325 12.318 -0.635 1.00 0.26 H HETATM 1097 H16 SER A 67 26.250 10.929 -1.314 1.00 0.26 H HETATM 1098 H14 SER A 67 25.564 9.234 -2.621 1.00 0.07 H HETATM 1099 H15 SER A 67 26.856 9.734 -3.764 1.00 0.07 H HETATM 1100 H12 SER A 67 28.327 8.117 -3.008 1.00 0.03 H HETATM 1101 H13 SER A 67 27.456 7.902 -1.452 1.00 0.03 H HETATM 1102 H10 SER A 67 25.471 7.110 -2.853 1.00 0.03 H HETATM 1103 H11 SER A 67 26.617 7.032 -4.235 1.00 0.03 H HETATM 1104 H9 SER A 67 26.887 5.500 -1.625 1.00 0.08 H HETATM 1105 H8 SER A 67 28.586 5.699 -4.018 1.00 0.19 H HETATM 1106 CB SER A 67 30.467 3.428 -4.125 1.00 0.10 C HETATM 1107 OG SER A 67 29.212 3.334 -4.754 1.00 -0.39 O HETATM 1108 H7 SER A 67 29.246 2.664 -5.427 1.00 0.21 H HETATM 1109 H5 SER A 67 30.710 2.451 -3.682 1.00 0.06 H HETATM 1110 H6 SER A 67 31.220 3.684 -4.884 1.00 0.06 H HETATM 1111 H4 SER A 67 30.801 5.453 -3.464 1.00 0.11 H HETATM 1112 H1 SER A 67 32.397 4.045 -2.454 1.00 0.20 H HETATM 1113 H2 SER A 67 31.236 3.272 -1.580 1.00 0.20 H HETATM 1114 H3 SER A 67 31.536 4.869 -1.318 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1015 1016 1112 1113 1114 CONECT 1016 1015 1017 1106 1111 CONECT 1017 1016 1018 1019 CONECT 1018 1017 CONECT 1019 1017 1020 1105 CONECT 1020 1019 1021 1086 1104 CONECT 1021 1020 1022 1023 CONECT 1022 1021 CONECT 1023 1021 1024 1085 CONECT 1024 1023 1025 1066 1084 CONECT 1025 1024 1026 1027 CONECT 1026 1025 CONECT 1027 1025 1028 1065 CONECT 1028 1027 1029 1058 1064 CONECT 1029 1028 1030 1031 CONECT 1030 1029 CONECT 1031 1029 1032 1057 CONECT 1032 1031 1033 1046 1056 CONECT 1033 1032 1034 1035 CONECT 1034 1033 CONECT 1035 1033 1036 1045 CONECT 1036 1035 1037 1040 1044 CONECT 1037 1036 1038 1039 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1036 1041 1042 1043 CONECT 1041 1040 CONECT 1042 1040 CONECT 1043 1040 CONECT 1044 1036 CONECT 1045 1035 CONECT 1046 1032 1047 1051 1055 CONECT 1047 1046 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 1046 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1046 CONECT 1056 1032 CONECT 1057 1031 CONECT 1058 1028 1059 1062 1063 CONECT 1059 1058 1060 1061 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1058 CONECT 1063 1058 CONECT 1064 1028 CONECT 1065 1027 CONECT 1066 1024 1067 1082 1083 CONECT 1067 1066 1068 1071 CONECT 1068 1067 1069 1081 CONECT 1069 1068 1070 1080 CONECT 1070 1069 1071 1075 CONECT 1071 1067 1070 1072 CONECT 1072 1071 1073 1079 CONECT 1073 1072 1074 1078 CONECT 1074 1073 1075 1077 CONECT 1075 1070 1074 1076 CONECT 1076 1075 CONECT 1077 1074 CONECT 1078 1073 CONECT 1079 1072 CONECT 1080 1069 CONECT 1081 1068 CONECT 1082 1066 CONECT 1083 1066 CONECT 1084 1024 CONECT 1085 1023 CONECT 1086 1020 1087 1102 1103 CONECT 1087 1086 1088 1100 1101 CONECT 1088 1087 1089 1098 1099 CONECT 1089 1088 1090 1097 CONECT 1090 1089 1091 1094 CONECT 1091 1090 1092 1093 CONECT 1092 1091 CONECT 1093 1091 CONECT 1094 1090 1095 1096 CONECT 1095 1094 CONECT 1096 1094 CONECT 1097 1089 CONECT 1098 1088 CONECT 1099 1088 CONECT 1100 1087 CONECT 1101 1087 CONECT 1102 1086 CONECT 1103 1086 CONECT 1104 1020 CONECT 1105 1019 CONECT 1106 1016 1107 1109 1110 CONECT 1107 1106 1108 CONECT 1108 1107 CONECT 1109 1106 CONECT 1110 1106 CONECT 1111 1016 CONECT 1112 1015 CONECT 1113 1015 CONECT 1114 1015 MASTER 0 0 0 0 0 0 0 0 1113 1 104 8 END
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96aa, >6N3F_1|Chains... at 100%
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
6-mer
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PDBbind
6-mer
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RCSB PDB
PDBbind
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2h65
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PDBbind
6-mer
2h6t
RCSB PDB
PDBbind
6-mer
2hob
RCSB PDB
PDBbind
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2itk
RCSB PDB
PDBbind
6-mer
2l65
RCSB PDB
PDBbind
6-mer
2oqs
RCSB PDB
PDBbind
6-mer
2q6f
RCSB PDB
PDBbind
6-mer
2qzx
RCSB PDB
PDBbind
6-mer
2r0z
RCSB PDB
PDBbind
6-mer
2w76
RCSB PDB
PDBbind
6-mer
2x6x
RCSB PDB
PDBbind
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3avz
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
3bv9
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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PDBbind
6-mer
3fwv
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
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3q4j
RCSB PDB
PDBbind
6-mer
3q4k
RCSB PDB
PDBbind
6-mer
3q4l
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PDBbind
6-mer
3r5j
RCSB PDB
PDBbind
6-mer
3r6g
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PDBbind
6-mer
3rjm
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3sm1
RCSB PDB
PDBbind
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PDBbind
6-mer
3snb
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
3snd
RCSB PDB
PDBbind
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3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
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6-mer
3zn0
RCSB PDB
PDBbind
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PDBbind
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4a0j
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4b3b
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PDBbind
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4c4n
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4er2
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4fr3
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4fz3
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RCSB PDB
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4ikn
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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4j79
RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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4ny3
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PDBbind
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PDBbind
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4ou3
RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
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5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
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PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
6nsx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV Tat-specific factor 1
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=229nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Rna Vol. 25: pp. 1020-1037
Ligand Properties
Formula
C
3
2
H
5
0
N
1
0
O
1
0
Molecular Weight
734.800
Exact Mass
734.371
No. of atoms
102
No. of bonds
103
Polar Surface Area
349.77
LOGP Value
-0.27 (
Computed with XLOGP3
)
-2.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)CC(=O)O)Cc1c[nH]c2c1cccc2)CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C32H48N10O10/c1-15(2)25(30(50)38-16(3)31(51)52)42-29(49)23(12-24(44)45)41-28(48)22(11-17-13-37-20-8-5-4-7-18(17)20)40-27(47)21(9-6-10-36-32(34)35)39-26(46)19(33)14-43/h4-5,7-8,13,15-16,19,21-23,25,37,43H,6,9-12,14,33H2,1-3H3,(H,38,50)(H,39,46)(H,40,47)(H,41,48)(H,42,49)(H,44,45)(H,51,52)(H4,34,35,36)/p+2/t16-,19-,21-,22-,23-,25-/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):
O43719
Entrez Gene ID
NCBI Entrez Gene ID:
27336
ASD
Information of known allosteric effects of PDB entries
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