Browse entries in the PDBbind-CN Database
HEADER 6G25_COMPLEX COMPND 6G25_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 78 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 78 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 78 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 78 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 78 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU ALA 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 EHQ A 248 30 ATOM 1 N VAL A 266 -23.578 3.525 -6.516 1.00 43.93 N ATOM 2 CA VAL A 266 -22.814 4.608 -7.151 1.00 39.73 C ATOM 3 C VAL A 266 -21.931 5.285 -6.078 1.00 42.84 C ATOM 4 O VAL A 266 -22.418 6.046 -5.233 1.00 44.68 O ATOM 5 CB VAL A 266 -23.703 5.593 -7.964 1.00 42.31 C ATOM 6 CG1 VAL A 266 -22.870 6.722 -8.575 1.00 39.19 C ATOM 7 CG2 VAL A 266 -24.472 4.863 -9.062 1.00 42.49 C ATOM 8 HN3 VAL A 266 -24.176 3.920 -5.763 1.00 0.00 H ATOM 9 HN2 VAL A 266 -22.920 2.830 -6.109 1.00 0.00 H ATOM 10 HN1 VAL A 266 -24.177 3.061 -7.228 1.00 0.00 H ATOM 11 N LYS A 267 -20.644 4.932 -6.093 1.00 36.05 N ATOM 12 CA LYS A 267 -19.613 5.321 -5.132 1.00 35.55 C ATOM 13 C LYS A 267 -19.062 6.717 -5.373 1.00 33.93 C ATOM 14 O LYS A 267 -18.518 7.327 -4.451 1.00 33.72 O ATOM 15 CB LYS A 267 -18.452 4.316 -5.243 1.00 39.21 C ATOM 16 CG LYS A 267 -17.737 3.984 -3.949 1.00 60.14 C ATOM 17 CD LYS A 267 -16.673 2.926 -4.223 1.00 71.39 C ATOM 18 CE LYS A 267 -16.124 2.298 -2.970 1.00 89.27 C ATOM 19 NZ LYS A 267 -15.366 1.057 -3.275 1.00100.54 N ATOM 20 HZ1 LYS A 267 -15.996 0.373 -3.740 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -14.572 1.284 -3.907 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -15.001 0.649 -2.391 1.00 0.00 H ATOM 23 H LYS A 267 -20.342 4.313 -6.872 1.00 0.00 H ATOM 24 N PHE A 268 -19.097 7.182 -6.630 1.00 27.19 N ATOM 25 CA PHE A 268 -18.517 8.469 -6.977 1.00 24.20 C ATOM 26 C PHE A 268 -19.460 9.366 -7.728 1.00 27.00 C ATOM 27 O PHE A 268 -20.327 8.882 -8.454 1.00 27.08 O ATOM 28 CB PHE A 268 -17.233 8.283 -7.808 1.00 23.29 C ATOM 29 CG PHE A 268 -16.201 7.447 -7.101 1.00 23.32 C ATOM 30 CD1 PHE A 268 -15.466 7.970 -6.042 1.00 24.47 C ATOM 31 CD2 PHE A 268 -15.974 6.133 -7.479 1.00 24.68 C ATOM 32 CE1 PHE A 268 -14.522 7.185 -5.371 1.00 25.89 C ATOM 33 CE2 PHE A 268 -15.037 5.348 -6.794 1.00 27.33 C ATOM 34 CZ PHE A 268 -14.320 5.880 -5.749 1.00 25.23 C ATOM 35 H PHE A 268 -19.548 6.610 -7.372 1.00 0.00 H ATOM 36 N GLN A 269 -19.263 10.685 -7.568 1.00 24.19 N ATOM 37 CA GLN A 269 -20.075 11.704 -8.229 1.00 24.32 C ATOM 38 C GLN A 269 -19.176 12.616 -9.037 1.00 22.81 C ATOM 39 O GLN A 269 -17.952 12.621 -8.851 1.00 21.53 O ATOM 40 CB GLN A 269 -20.876 12.533 -7.197 1.00 27.42 C ATOM 41 CG GLN A 269 -19.991 13.296 -6.193 1.00 34.02 C ATOM 42 CD GLN A 269 -20.618 13.790 -4.899 1.00 52.07 C ATOM 43 OE1 GLN A 269 -21.782 13.541 -4.566 1.00 43.08 O ATOM 44 NE2 GLN A 269 -19.808 14.472 -4.110 1.00 41.07 N ATOM 45 HE22 GLN A 269 -18.833 14.669 -4.412 1.00 0.00 H ATOM 46 HE21 GLN A 269 -20.146 14.812 -3.187 1.00 0.00 H ATOM 47 H GLN A 269 -18.493 10.997 -6.942 1.00 0.00 H ATOM 48 N VAL A 270 -19.772 13.392 -9.945 1.00 21.06 N ATOM 49 CA VAL A 270 -19.025 14.368 -10.742 1.00 17.93 C ATOM 50 C VAL A 270 -18.228 15.306 -9.821 1.00 21.20 C ATOM 51 O VAL A 270 -18.780 15.814 -8.836 1.00 22.39 O ATOM 52 CB VAL A 270 -19.995 15.161 -11.664 1.00 21.29 C ATOM 53 CG1 VAL A 270 -19.303 16.348 -12.329 1.00 20.98 C ATOM 54 CG2 VAL A 270 -20.566 14.249 -12.750 1.00 20.37 C ATOM 55 H VAL A 270 -20.798 13.301 -10.091 1.00 0.00 H ATOM 56 N GLY A 271 -16.957 15.515 -10.152 1.00 18.13 N ATOM 57 CA GLY A 271 -16.083 16.389 -9.383 1.00 18.98 C ATOM 58 C GLY A 271 -15.265 15.663 -8.338 1.00 20.79 C ATOM 59 O GLY A 271 -14.363 16.267 -7.762 1.00 20.85 O ATOM 60 H GLY A 271 -16.573 15.036 -10.992 1.00 0.00 H ATOM 61 N ASP A 272 -15.592 14.396 -8.056 1.00 19.08 N ATOM 62 CA ASP A 272 -14.793 13.630 -7.090 1.00 18.00 C ATOM 63 C ASP A 272 -13.392 13.374 -7.646 1.00 19.84 C ATOM 64 O ASP A 272 -13.226 13.106 -8.841 1.00 18.67 O ATOM 65 CB ASP A 272 -15.446 12.278 -6.773 1.00 20.04 C ATOM 66 CG ASP A 272 -16.589 12.332 -5.762 1.00 24.97 C ATOM 67 OD1 ASP A 272 -16.746 13.377 -5.085 1.00 29.05 O ATOM 68 OD2 ASP A 272 -17.327 11.329 -5.646 1.00 25.41 O ATOM 69 H ASP A 272 -16.411 13.954 -8.520 1.00 0.00 H ATOM 70 N LEU A 273 -12.381 13.469 -6.797 1.00 18.24 N ATOM 71 CA LEU A 273 -11.004 13.167 -7.165 1.00 17.44 C ATOM 72 C LEU A 273 -10.761 11.689 -6.916 1.00 18.96 C ATOM 73 O LEU A 273 -11.102 11.148 -5.845 1.00 19.71 O ATOM 74 CB LEU A 273 -10.015 13.997 -6.364 1.00 17.41 C ATOM 75 CG LEU A 273 -10.119 15.494 -6.591 1.00 19.05 C ATOM 76 CD1 LEU A 273 -9.227 16.219 -5.627 1.00 21.64 C ATOM 77 CD2 LEU A 273 -9.741 15.867 -8.024 1.00 21.38 C ATOM 78 H LEU A 273 -12.579 13.773 -5.822 1.00 0.00 H ATOM 79 N VAL A 274 -10.173 11.026 -7.925 1.00 16.56 N ATOM 80 CA VAL A 274 -9.922 9.596 -7.848 1.00 17.34 C ATOM 81 C VAL A 274 -8.577 9.266 -8.463 1.00 18.94 C ATOM 82 O VAL A 274 -8.033 10.041 -9.254 1.00 17.98 O ATOM 83 CB VAL A 274 -11.026 8.760 -8.565 1.00 18.67 C ATOM 84 CG1 VAL A 274 -12.393 8.936 -7.894 1.00 19.18 C ATOM 85 CG2 VAL A 274 -11.108 9.083 -10.080 1.00 17.84 C ATOM 86 H VAL A 274 -9.891 11.547 -8.780 1.00 0.00 H ATOM 87 N TRP A 275 -8.046 8.100 -8.109 1.00 17.07 N ATOM 88 CA TRP A 275 -6.918 7.521 -8.820 1.00 17.85 C ATOM 89 C TRP A 275 -7.549 6.515 -9.788 1.00 18.34 C ATOM 90 O TRP A 275 -8.478 5.799 -9.393 1.00 19.03 O ATOM 91 CB TRP A 275 -6.023 6.709 -7.890 1.00 18.30 C ATOM 92 CG TRP A 275 -5.315 7.468 -6.824 1.00 18.75 C ATOM 93 CD1 TRP A 275 -5.692 7.583 -5.518 1.00 21.81 C ATOM 94 CD2 TRP A 275 -3.990 7.996 -6.909 1.00 18.19 C ATOM 95 NE1 TRP A 275 -4.718 8.247 -4.805 1.00 21.13 N ATOM 96 CE2 TRP A 275 -3.642 8.463 -5.623 1.00 21.01 C ATOM 97 CE3 TRP A 275 -3.060 8.129 -7.958 1.00 17.90 C ATOM 98 CZ2 TRP A 275 -2.406 9.054 -5.357 1.00 20.30 C ATOM 99 CZ3 TRP A 275 -1.832 8.709 -7.691 1.00 18.63 C ATOM 100 CH2 TRP A 275 -1.514 9.153 -6.397 1.00 19.66 C ATOM 101 HE1 TRP A 275 -4.789 8.537 -3.809 1.00 0.00 H ATOM 102 H TRP A 275 -8.449 7.587 -7.299 1.00 0.00 H ATOM 103 N SER A 276 -7.046 6.427 -11.009 1.00 17.18 N ATOM 104 CA SER A 276 -7.513 5.423 -11.969 1.00 17.12 C ATOM 105 C SER A 276 -6.342 4.623 -12.491 1.00 19.01 C ATOM 106 O SER A 276 -5.294 5.202 -12.804 1.00 18.89 O ATOM 107 CB SER A 276 -8.225 6.066 -13.159 1.00 18.37 C ATOM 108 OG SER A 276 -9.296 6.895 -12.743 1.00 20.43 O ATOM 109 HG SER A 276 -9.732 7.293 -13.538 1.00 0.00 H ATOM 110 H SER A 276 -6.297 7.090 -11.296 1.00 0.00 H ATOM 111 N LYS A 277 -6.525 3.302 -12.631 1.00 20.26 N ATOM 112 CA LYS A 277 -5.490 2.418 -13.171 1.00 21.89 C ATOM 113 C LYS A 277 -5.994 1.972 -14.537 1.00 24.52 C ATOM 114 O LYS A 277 -6.960 1.200 -14.612 1.00 25.82 O ATOM 115 CB LYS A 277 -5.271 1.227 -12.219 1.00 25.67 C ATOM 116 CG LYS A 277 -4.101 0.328 -12.575 1.00 28.90 C ATOM 117 CD LYS A 277 -2.753 1.016 -12.329 1.00 28.24 C ATOM 118 CE LYS A 277 -1.600 0.054 -12.482 1.00 35.07 C ATOM 119 NZ LYS A 277 -1.296 -0.175 -13.913 1.00 40.44 N ATOM 120 HZ1 LYS A 277 -2.133 -0.574 -14.384 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -1.042 0.729 -14.361 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.500 -0.839 -13.995 1.00 0.00 H ATOM 123 H LYS A 277 -7.436 2.890 -12.345 1.00 0.00 H ATOM 124 N VAL A 278 -5.419 2.541 -15.611 1.00 22.11 N ATOM 125 CA VAL A 278 -5.856 2.302 -16.984 1.00 22.57 C ATOM 126 C VAL A 278 -4.688 1.901 -17.875 1.00 27.84 C ATOM 127 O VAL A 278 -3.696 2.623 -17.950 1.00 27.39 O ATOM 128 CB VAL A 278 -6.573 3.567 -17.531 1.00 26.01 C ATOM 129 CG1 VAL A 278 -6.938 3.430 -19.016 1.00 27.16 C ATOM 130 CG2 VAL A 278 -7.804 3.922 -16.695 1.00 25.46 C ATOM 131 H VAL A 278 -4.619 3.187 -15.455 1.00 0.00 H ATOM 132 N GLY A 279 -4.855 0.804 -18.606 1.00 26.78 N ATOM 133 CA GLY A 279 -3.862 0.343 -19.563 1.00 27.72 C ATOM 134 C GLY A 279 -2.523 0.048 -18.930 1.00 30.01 C ATOM 135 O GLY A 279 -2.461 -0.548 -17.849 1.00 30.65 O ATOM 136 H GLY A 279 -5.730 0.254 -18.489 1.00 0.00 H ATOM 137 N THR A 280 -1.445 0.467 -19.603 1.00 25.19 N ATOM 138 CA THR A 280 -0.075 0.242 -19.134 1.00 23.96 C ATOM 139 C THR A 280 0.433 1.326 -18.189 1.00 25.05 C ATOM 140 O THR A 280 1.595 1.288 -17.781 1.00 26.38 O ATOM 141 CB THR A 280 0.862 0.106 -20.339 1.00 28.05 C ATOM 142 OG1 THR A 280 0.801 1.317 -21.102 1.00 30.96 O ATOM 143 CG2 THR A 280 0.493 -1.072 -21.226 1.00 26.73 C ATOM 144 HG1 THR A 280 -0.128 1.465 -21.411 1.00 0.00 H ATOM 145 H THR A 280 -1.586 0.975 -20.499 1.00 0.00 H ATOM 146 N TYR A 281 -0.422 2.285 -17.853 1.00 22.70 N ATOM 147 CA TYR A 281 -0.015 3.388 -17.028 1.00 21.43 C ATOM 148 C TYR A 281 -0.150 3.131 -15.547 1.00 23.13 C ATOM 149 O TYR A 281 -1.004 2.347 -15.127 1.00 22.85 O ATOM 150 CB TYR A 281 -0.830 4.627 -17.406 1.00 22.84 C ATOM 151 CG TYR A 281 -0.457 5.163 -18.766 1.00 26.56 C ATOM 152 CD1 TYR A 281 0.568 6.096 -18.913 1.00 30.07 C ATOM 153 CD2 TYR A 281 -1.106 4.721 -19.911 1.00 28.23 C ATOM 154 CE1 TYR A 281 0.932 6.577 -20.169 1.00 32.59 C ATOM 155 CE2 TYR A 281 -0.731 5.173 -21.176 1.00 31.21 C ATOM 156 CZ TYR A 281 0.283 6.108 -21.298 1.00 38.14 C ATOM 157 OH TYR A 281 0.622 6.583 -22.542 1.00 44.44 O ATOM 158 HH TYR A 281 1.359 7.238 -22.454 1.00 0.00 H ATOM 159 H TYR A 281 -1.404 2.236 -18.193 1.00 0.00 H ATOM 160 N PRO A 282 0.649 3.838 -14.732 1.00 20.19 N ATOM 161 CA PRO A 282 0.508 3.687 -13.279 1.00 21.17 C ATOM 162 C PRO A 282 -0.791 4.306 -12.776 1.00 21.32 C ATOM 163 O PRO A 282 -1.446 5.025 -13.520 1.00 19.79 O ATOM 164 CB PRO A 282 1.729 4.443 -12.728 1.00 23.55 C ATOM 165 CG PRO A 282 2.002 5.501 -13.754 1.00 26.28 C ATOM 166 CD PRO A 282 1.689 4.824 -15.083 1.00 22.82 C ATOM 167 N TRP A 283 -1.146 4.050 -11.512 1.00 20.66 N ATOM 168 CA TRP A 283 -2.286 4.709 -10.874 1.00 19.93 C ATOM 169 C TRP A 283 -2.119 6.207 -11.137 1.00 19.40 C ATOM 170 O TRP A 283 -1.043 6.773 -10.876 1.00 18.42 O ATOM 171 CB TRP A 283 -2.298 4.435 -9.384 1.00 19.64 C ATOM 172 CG TRP A 283 -2.777 3.065 -9.044 1.00 20.98 C ATOM 173 CD1 TRP A 283 -2.006 1.979 -8.734 1.00 25.45 C ATOM 174 CD2 TRP A 283 -4.138 2.635 -8.937 1.00 20.63 C ATOM 175 NE1 TRP A 283 -2.808 0.907 -8.419 1.00 26.16 N ATOM 176 CE2 TRP A 283 -4.121 1.281 -8.534 1.00 25.92 C ATOM 177 CE3 TRP A 283 -5.373 3.254 -9.155 1.00 21.24 C ATOM 178 CZ2 TRP A 283 -5.298 0.542 -8.327 1.00 25.84 C ATOM 179 CZ3 TRP A 283 -6.540 2.533 -8.934 1.00 22.73 C ATOM 180 CH2 TRP A 283 -6.498 1.183 -8.549 1.00 24.90 C ATOM 181 HE1 TRP A 283 -2.472 -0.036 -8.138 1.00 0.00 H ATOM 182 H TRP A 283 -0.593 3.360 -10.965 1.00 0.00 H ATOM 183 N TRP A 284 -3.182 6.854 -11.627 1.00 17.40 N ATOM 184 CA TRP A 284 -3.077 8.215 -12.124 1.00 16.53 C ATOM 185 C TRP A 284 -4.123 9.110 -11.519 1.00 16.02 C ATOM 186 O TRP A 284 -5.289 8.700 -11.433 1.00 15.99 O ATOM 187 CB TRP A 284 -3.270 8.193 -13.655 1.00 16.66 C ATOM 188 CG TRP A 284 -2.606 9.343 -14.341 1.00 16.60 C ATOM 189 CD1 TRP A 284 -3.079 10.626 -14.460 1.00 18.47 C ATOM 190 CD2 TRP A 284 -1.286 9.346 -14.889 1.00 17.59 C ATOM 191 NE1 TRP A 284 -2.117 11.429 -15.024 1.00 18.07 N ATOM 192 CE2 TRP A 284 -0.997 10.673 -15.285 1.00 19.84 C ATOM 193 CE3 TRP A 284 -0.311 8.354 -15.067 1.00 19.22 C ATOM 194 CZ2 TRP A 284 0.192 11.018 -15.932 1.00 20.03 C ATOM 195 CZ3 TRP A 284 0.890 8.704 -15.676 1.00 20.99 C ATOM 196 CH2 TRP A 284 1.141 10.022 -16.086 1.00 21.46 C ATOM 197 HE1 TRP A 284 -2.219 12.445 -15.222 1.00 0.00 H ATOM 198 H TRP A 284 -4.103 6.372 -11.653 1.00 0.00 H ATOM 199 N PRO A 285 -3.763 10.353 -11.172 1.00 14.90 N ATOM 200 CA PRO A 285 -4.767 11.267 -10.587 1.00 14.05 C ATOM 201 C PRO A 285 -5.788 11.732 -11.623 1.00 15.77 C ATOM 202 O PRO A 285 -5.420 12.162 -12.721 1.00 15.58 O ATOM 203 CB PRO A 285 -3.930 12.441 -10.083 1.00 15.67 C ATOM 204 CG PRO A 285 -2.698 12.431 -10.967 1.00 17.43 C ATOM 205 CD PRO A 285 -2.406 10.951 -11.160 1.00 14.97 C ATOM 206 N CYS A 286 -7.086 11.651 -11.242 1.00 15.02 N ATOM 207 CA CYS A 286 -8.219 11.971 -12.132 1.00 14.80 C ATOM 208 C CYS A 286 -9.291 12.728 -11.401 1.00 14.65 C ATOM 209 O CYS A 286 -9.339 12.777 -10.179 1.00 15.08 O ATOM 210 CB CYS A 286 -8.839 10.682 -12.690 1.00 15.35 C ATOM 211 SG CYS A 286 -7.730 9.652 -13.677 1.00 16.92 S ATOM 212 H CYS A 286 -7.295 11.347 -10.270 1.00 0.00 H ATOM 213 N MET A 287 -10.265 13.221 -12.188 1.00 14.34 N ATOM 214 CA MET A 287 -11.501 13.796 -11.673 1.00 14.02 C ATOM 215 C MET A 287 -12.662 13.087 -12.381 1.00 15.71 C ATOM 216 O MET A 287 -12.640 12.955 -13.622 1.00 14.88 O ATOM 217 CB MET A 287 -11.592 15.278 -11.915 1.00 15.01 C ATOM 218 CG MET A 287 -12.854 15.875 -11.265 1.00 16.73 C ATOM 219 SD MET A 287 -13.058 17.665 -11.568 1.00 18.80 S ATOM 220 CE MET A 287 -13.339 17.680 -13.337 1.00 19.62 C ATOM 221 H MET A 287 -10.128 13.190 -13.219 1.00 0.00 H ATOM 222 N VAL A 288 -13.666 12.646 -11.627 1.00 15.14 N ATOM 223 CA VAL A 288 -14.869 12.041 -12.215 1.00 14.69 C ATOM 224 C VAL A 288 -15.662 13.126 -12.955 1.00 17.09 C ATOM 225 O VAL A 288 -15.817 14.241 -12.466 1.00 16.70 O ATOM 226 CB VAL A 288 -15.704 11.368 -11.110 1.00 17.23 C ATOM 227 CG1 VAL A 288 -17.048 10.819 -11.638 1.00 18.13 C ATOM 228 CG2 VAL A 288 -14.891 10.258 -10.454 1.00 17.43 C ATOM 229 H VAL A 288 -13.597 12.732 -10.593 1.00 0.00 H ATOM 230 N SER A 289 -16.163 12.790 -14.147 1.00 15.15 N ATOM 231 CA SER A 289 -16.895 13.773 -14.915 1.00 14.71 C ATOM 232 C SER A 289 -17.941 13.074 -15.746 1.00 17.92 C ATOM 233 O SER A 289 -17.926 11.843 -15.868 1.00 18.29 O ATOM 234 CB SER A 289 -15.942 14.482 -15.873 1.00 15.40 C ATOM 235 OG SER A 289 -15.442 13.573 -16.852 1.00 16.22 O ATOM 236 HG SER A 289 -14.827 14.052 -17.462 1.00 0.00 H ATOM 237 H SER A 289 -16.028 11.829 -14.520 1.00 0.00 H ATOM 238 N SER A 290 -18.867 13.850 -16.322 1.00 16.52 N ATOM 239 CA SER A 290 -19.917 13.322 -17.170 1.00 16.61 C ATOM 240 C SER A 290 -19.404 13.130 -18.607 1.00 19.77 C ATOM 241 O SER A 290 -18.808 14.049 -19.162 1.00 19.28 O ATOM 242 CB SER A 290 -21.085 14.292 -17.153 1.00 18.80 C ATOM 243 OG SER A 290 -22.201 13.783 -17.861 1.00 19.88 O ATOM 244 HG SER A 290 -22.940 14.441 -17.828 1.00 0.00 H ATOM 245 H SER A 290 -18.832 14.876 -16.154 1.00 0.00 H ATOM 246 N ASP A 291 -19.641 11.948 -19.219 1.00 18.36 N ATOM 247 CA ASP A 291 -19.211 11.685 -20.588 1.00 19.72 C ATOM 248 C ASP A 291 -19.877 12.735 -21.513 1.00 24.61 C ATOM 249 O ASP A 291 -21.076 12.989 -21.357 1.00 25.11 O ATOM 250 CB ASP A 291 -19.563 10.254 -20.978 1.00 22.09 C ATOM 251 CG ASP A 291 -19.248 9.897 -22.418 1.00 28.86 C ATOM 252 OD1 ASP A 291 -19.901 10.459 -23.326 1.00 32.12 O ATOM 253 OD2 ASP A 291 -18.430 8.995 -22.636 1.00 32.15 O ATOM 254 H ASP A 291 -20.146 11.203 -18.698 1.00 0.00 H ATOM 255 N PRO A 292 -19.090 13.428 -22.376 1.00 25.25 N ATOM 256 CA PRO A 292 -19.664 14.498 -23.222 1.00 27.96 C ATOM 257 C PRO A 292 -20.801 14.075 -24.140 1.00 35.64 C ATOM 258 O PRO A 292 -21.607 14.934 -24.510 1.00 37.53 O ATOM 259 CB PRO A 292 -18.457 14.991 -24.027 1.00 29.88 C ATOM 260 CG PRO A 292 -17.477 13.869 -23.999 1.00 31.59 C ATOM 261 CD PRO A 292 -17.641 13.281 -22.617 1.00 25.71 C ATOM 262 N GLN A 293 -20.861 12.780 -24.517 1.00 31.81 N ATOM 263 CA GLN A 293 -21.901 12.234 -25.408 1.00 33.65 C ATOM 264 C GLN A 293 -23.023 11.536 -24.647 1.00 36.80 C ATOM 265 O GLN A 293 -24.195 11.828 -24.903 1.00 37.80 O ATOM 266 CB GLN A 293 -21.293 11.282 -26.454 1.00 36.10 C ATOM 267 CG GLN A 293 -20.464 11.991 -27.528 1.00 57.36 C ATOM 268 CD GLN A 293 -19.125 11.340 -27.818 1.00 82.68 C ATOM 269 OE1 GLN A 293 -18.237 11.954 -28.418 1.00 79.22 O ATOM 270 NE2 GLN A 293 -18.936 10.086 -27.414 1.00 77.67 N ATOM 271 HE22 GLN A 293 -19.693 9.582 -26.910 1.00 0.00 H ATOM 272 HE21 GLN A 293 -18.031 9.610 -27.602 1.00 0.00 H ATOM 273 H GLN A 293 -20.132 12.131 -24.158 1.00 0.00 H ATOM 274 N LEU A 294 -22.685 10.619 -23.717 1.00 31.37 N ATOM 275 CA LEU A 294 -23.686 9.884 -22.943 1.00 31.59 C ATOM 276 C LEU A 294 -24.346 10.733 -21.864 1.00 33.68 C ATOM 277 O LEU A 294 -25.430 10.389 -21.397 1.00 34.91 O ATOM 278 CB LEU A 294 -23.108 8.579 -22.356 1.00 31.76 C ATOM 279 CG LEU A 294 -22.591 7.545 -23.381 1.00 36.51 C ATOM 280 CD1 LEU A 294 -21.822 6.431 -22.694 1.00 36.45 C ATOM 281 CD2 LEU A 294 -23.738 6.964 -24.226 1.00 39.67 C ATOM 282 H LEU A 294 -21.677 10.428 -23.544 1.00 0.00 H ATOM 283 N GLU A 295 -23.666 11.816 -21.424 1.00 26.92 N ATOM 284 CA GLU A 295 -24.179 12.753 -20.412 1.00 26.64 C ATOM 285 C GLU A 295 -24.462 12.063 -19.071 1.00 29.35 C ATOM 286 O GLU A 295 -25.327 12.485 -18.297 1.00 30.62 O ATOM 287 CB GLU A 295 -25.387 13.572 -20.931 1.00 30.04 C ATOM 288 CG GLU A 295 -25.032 14.445 -22.128 1.00 37.74 C ATOM 289 CD GLU A 295 -26.168 15.234 -22.757 1.00 61.67 C ATOM 290 OE1 GLU A 295 -27.298 14.700 -22.855 1.00 53.55 O ATOM 291 OE2 GLU A 295 -25.903 16.369 -23.213 1.00 55.61 O ATOM 292 H GLU A 295 -22.724 11.998 -21.825 1.00 0.00 H ATOM 293 N VAL A 296 -23.631 11.043 -18.760 1.00 24.86 N ATOM 294 CA VAL A 296 -23.629 10.305 -17.503 1.00 23.96 C ATOM 295 C VAL A 296 -22.181 10.142 -17.058 1.00 23.78 C ATOM 296 O VAL A 296 -21.288 10.096 -17.906 1.00 21.27 O ATOM 297 CB VAL A 296 -24.348 8.932 -17.583 1.00 27.82 C ATOM 298 CG1 VAL A 296 -25.851 9.120 -17.766 1.00 29.00 C ATOM 299 CG2 VAL A 296 -23.764 8.039 -18.685 1.00 27.20 C ATOM 300 H VAL A 296 -22.934 10.761 -19.479 1.00 0.00 H ATOM 301 N HIS A 297 -21.952 10.031 -15.744 1.00 21.27 N ATOM 302 CA HIS A 297 -20.594 9.849 -15.211 1.00 19.15 C ATOM 303 C HIS A 297 -20.348 8.406 -14.783 1.00 19.94 C ATOM 304 O HIS A 297 -19.252 8.061 -14.328 1.00 19.21 O ATOM 305 CB HIS A 297 -20.372 10.793 -14.023 1.00 19.92 C ATOM 306 CG HIS A 297 -21.105 10.367 -12.779 1.00 23.33 C ATOM 307 ND1 HIS A 297 -22.455 10.623 -12.607 1.00 26.17 N ATOM 308 CD2 HIS A 297 -20.634 9.737 -11.674 1.00 24.89 C ATOM 309 CE1 HIS A 297 -22.762 10.144 -11.408 1.00 27.33 C ATOM 310 NE2 HIS A 297 -21.688 9.623 -10.798 1.00 26.80 N ATOM 311 H HIS A 297 -22.754 10.075 -15.084 1.00 0.00 H ATOM 312 N THR A 298 -21.410 7.577 -14.834 1.00 20.57 N ATOM 313 CA THR A 298 -21.325 6.179 -14.445 1.00 20.78 C ATOM 314 C THR A 298 -22.273 5.380 -15.317 1.00 23.54 C ATOM 315 O THR A 298 -23.257 5.928 -15.797 1.00 24.18 O ATOM 316 CB THR A 298 -21.603 5.988 -12.940 1.00 24.99 C ATOM 317 OG1 THR A 298 -21.315 4.623 -12.606 1.00 26.02 O ATOM 318 CG2 THR A 298 -23.067 6.332 -12.535 1.00 27.22 C ATOM 319 HG1 THR A 298 -20.365 4.429 -12.806 1.00 0.00 H ATOM 320 H THR A 298 -22.323 7.951 -15.163 1.00 0.00 H ATOM 321 N LYS A 299 -21.953 4.104 -15.536 1.00 22.65 N ATOM 322 CA LYS A 299 -22.796 3.233 -16.363 1.00 23.71 C ATOM 323 C LYS A 299 -22.478 1.793 -16.078 1.00 25.99 C ATOM 324 O LYS A 299 -21.434 1.491 -15.491 1.00 24.52 O ATOM 325 CB LYS A 299 -22.554 3.529 -17.870 1.00 25.30 C ATOM 326 CG LYS A 299 -21.246 2.987 -18.427 1.00 25.37 C ATOM 327 CD LYS A 299 -20.956 3.496 -19.833 1.00 30.66 C ATOM 328 CE LYS A 299 -19.792 2.760 -20.443 1.00 39.03 C ATOM 329 NZ LYS A 299 -19.515 3.234 -21.822 1.00 47.52 N ATOM 330 HZ1 LYS A 299 -20.354 3.077 -22.416 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.290 4.249 -21.800 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.708 2.707 -22.213 1.00 0.00 H ATOM 333 H LYS A 299 -21.086 3.717 -15.111 1.00 0.00 H ATOM 334 N ILE A 300 -23.330 0.896 -16.568 1.00 25.14 N ATOM 335 CA ILE A 300 -23.055 -0.529 -16.529 1.00 25.47 C ATOM 336 C ILE A 300 -22.538 -0.886 -17.942 1.00 29.26 C ATOM 337 O ILE A 300 -23.197 -0.556 -18.931 1.00 29.27 O ATOM 338 CB ILE A 300 -24.329 -1.322 -16.142 1.00 30.44 C ATOM 339 CG1 ILE A 300 -24.870 -0.860 -14.763 1.00 32.08 C ATOM 340 CG2 ILE A 300 -24.053 -2.804 -16.185 1.00 31.59 C ATOM 341 CD1 ILE A 300 -23.912 -0.981 -13.540 1.00 35.85 C ATOM 342 H ILE A 300 -24.220 1.226 -16.992 1.00 0.00 H ATOM 343 N ASN A 301 -21.358 -1.521 -18.031 1.00 27.74 N ATOM 344 CA ASN A 301 -20.754 -1.850 -19.320 1.00 27.66 C ATOM 345 C ASN A 301 -21.380 -3.066 -19.967 1.00 32.04 C ATOM 346 O ASN A 301 -22.311 -3.683 -19.402 1.00 31.32 O ATOM 347 CB ASN A 301 -19.229 -1.969 -19.236 1.00 27.43 C ATOM 348 CG ASN A 301 -18.686 -3.139 -18.452 1.00 33.92 C ATOM 349 OD1 ASN A 301 -19.331 -4.176 -18.233 1.00 30.90 O ATOM 350 ND2 ASN A 301 -17.444 -3.003 -18.038 1.00 30.84 N ATOM 351 HD22 ASN A 301 -16.924 -2.124 -18.234 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.983 -3.775 -17.515 1.00 0.00 H ATOM 353 H ASN A 301 -20.860 -1.786 -17.157 1.00 0.00 H ATOM 354 N THR A 302 -20.848 -3.458 -21.142 1.00 32.62 N ATOM 355 CA THR A 302 -21.392 -4.586 -21.901 1.00 35.39 C ATOM 356 C THR A 302 -21.081 -5.962 -21.272 1.00 39.55 C ATOM 357 O THR A 302 -21.596 -6.987 -21.742 1.00 40.24 O ATOM 358 CB THR A 302 -20.993 -4.520 -23.376 1.00 45.51 C ATOM 359 OG1 THR A 302 -19.581 -4.402 -23.464 1.00 42.35 O ATOM 360 CG2 THR A 302 -21.672 -3.372 -24.117 1.00 44.28 C ATOM 361 HG1 THR A 302 -19.290 -3.577 -23.000 1.00 0.00 H ATOM 362 H THR A 302 -20.027 -2.944 -21.521 1.00 0.00 H ATOM 363 N ARG A 303 -20.261 -5.976 -20.194 1.00 35.57 N ATOM 364 CA ARG A 303 -19.983 -7.212 -19.461 1.00 37.55 C ATOM 365 C ARG A 303 -20.777 -7.221 -18.141 1.00 39.75 C ATOM 366 O ARG A 303 -20.618 -8.126 -17.327 1.00 42.15 O ATOM 367 CB ARG A 303 -18.476 -7.389 -19.214 1.00 39.97 C ATOM 368 CG ARG A 303 -17.737 -8.010 -20.388 1.00 57.35 C ATOM 369 CD ARG A 303 -16.271 -8.222 -20.066 1.00 75.01 C ATOM 370 NE ARG A 303 -15.498 -8.565 -21.260 1.00 93.42 N ATOM 371 CZ ARG A 303 -14.172 -8.493 -21.344 1.00112.70 C ATOM 372 NH1 ARG A 303 -13.455 -8.086 -20.304 1.00100.20 N ATOM 373 NH2 ARG A 303 -13.555 -8.822 -22.471 1.00103.66 N ATOM 374 HE ARG A 303 -16.020 -8.887 -22.100 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.419 -8.032 -20.376 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.929 -7.821 -19.417 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.518 -8.764 -22.532 1.00 0.00 H ATOM 378 HH21 ARG A 303 -14.108 -9.138 -23.293 1.00 0.00 H ATOM 379 H ARG A 303 -19.819 -5.089 -19.880 1.00 0.00 H ATOM 380 N GLY A 304 -21.601 -6.195 -17.944 1.00 35.82 N ATOM 381 CA GLY A 304 -22.446 -6.040 -16.769 1.00 35.43 C ATOM 382 C GLY A 304 -21.738 -5.481 -15.550 1.00 38.07 C ATOM 383 O GLY A 304 -22.238 -5.643 -14.436 1.00 39.84 O ATOM 384 H GLY A 304 -21.644 -5.457 -18.676 1.00 0.00 H ATOM 385 N ALA A 305 -20.589 -4.815 -15.738 1.00 32.48 N ATOM 386 CA ALA A 305 -19.857 -4.254 -14.607 1.00 31.27 C ATOM 387 C ALA A 305 -20.026 -2.728 -14.549 1.00 31.85 C ATOM 388 O ALA A 305 -20.152 -2.100 -15.599 1.00 30.00 O ATOM 389 CB ALA A 305 -18.374 -4.578 -14.746 1.00 32.46 C ATOM 390 H ALA A 305 -20.215 -4.697 -16.701 1.00 0.00 H ATOM 391 N ARG A 306 -19.976 -2.123 -13.345 1.00 28.20 N ATOM 392 CA ARG A 306 -20.041 -0.647 -13.249 1.00 25.65 C ATOM 393 C ARG A 306 -18.737 0.031 -13.646 1.00 27.70 C ATOM 394 O ARG A 306 -17.657 -0.415 -13.266 1.00 26.09 O ATOM 395 CB ARG A 306 -20.434 -0.164 -11.837 1.00 28.64 C ATOM 396 CG ARG A 306 -20.616 1.362 -11.787 1.00 28.81 C ATOM 397 CD ARG A 306 -21.421 1.890 -10.631 1.00 35.24 C ATOM 398 NE ARG A 306 -22.778 1.345 -10.605 1.00 33.48 N ATOM 399 CZ ARG A 306 -23.824 1.842 -11.264 1.00 36.40 C ATOM 400 NH1 ARG A 306 -25.021 1.274 -11.145 1.00 35.21 N ATOM 401 NH2 ARG A 306 -23.677 2.893 -12.066 1.00 31.36 N ATOM 402 HE ARG A 306 -22.940 0.498 -10.023 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.835 1.664 -11.661 1.00 0.00 H ATOM 404 HH11 ARG A 306 -25.142 0.440 -10.536 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.498 3.276 -12.577 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.741 3.332 -12.182 1.00 0.00 H ATOM 407 H ARG A 306 -19.891 -2.695 -12.481 1.00 0.00 H ATOM 408 N GLU A 307 -18.865 1.125 -14.396 1.00 23.10 N ATOM 409 CA GLU A 307 -17.723 1.958 -14.781 1.00 20.95 C ATOM 410 C GLU A 307 -17.984 3.413 -14.426 1.00 22.83 C ATOM 411 O GLU A 307 -19.141 3.828 -14.282 1.00 22.61 O ATOM 412 CB GLU A 307 -17.417 1.862 -16.272 1.00 21.28 C ATOM 413 CG GLU A 307 -16.939 0.493 -16.724 1.00 23.68 C ATOM 414 CD GLU A 307 -16.651 0.390 -18.203 1.00 30.98 C ATOM 415 OE1 GLU A 307 -17.155 1.252 -18.959 1.00 28.45 O ATOM 416 OE2 GLU A 307 -16.031 -0.619 -18.618 1.00 29.44 O ATOM 417 H GLU A 307 -19.814 1.399 -14.721 1.00 0.00 H ATOM 418 N TYR A 308 -16.897 4.194 -14.300 1.00 18.25 N ATOM 419 CA TYR A 308 -16.969 5.623 -14.028 1.00 17.90 C ATOM 420 C TYR A 308 -16.228 6.334 -15.110 1.00 18.63 C ATOM 421 O TYR A 308 -15.222 5.813 -15.622 1.00 18.34 O ATOM 422 CB TYR A 308 -16.302 5.990 -12.688 1.00 18.82 C ATOM 423 CG TYR A 308 -17.092 5.451 -11.522 1.00 20.62 C ATOM 424 CD1 TYR A 308 -18.240 6.098 -11.079 1.00 22.22 C ATOM 425 CD2 TYR A 308 -16.766 4.226 -10.938 1.00 22.24 C ATOM 426 CE1 TYR A 308 -19.012 5.575 -10.038 1.00 25.28 C ATOM 427 CE2 TYR A 308 -17.536 3.688 -9.904 1.00 24.21 C ATOM 428 CZ TYR A 308 -18.663 4.362 -9.468 1.00 26.97 C ATOM 429 OH TYR A 308 -19.413 3.818 -8.452 1.00 28.28 O ATOM 430 HH TYR A 308 -18.851 3.723 -7.643 1.00 0.00 H ATOM 431 H TYR A 308 -15.959 3.756 -14.402 1.00 0.00 H ATOM 432 N HIS A 309 -16.730 7.521 -15.488 1.00 16.65 N ATOM 433 CA HIS A 309 -16.074 8.321 -16.503 1.00 15.23 C ATOM 434 C HIS A 309 -15.139 9.309 -15.816 1.00 15.80 C ATOM 435 O HIS A 309 -15.542 9.980 -14.874 1.00 15.76 O ATOM 436 CB HIS A 309 -17.118 9.051 -17.333 1.00 16.20 C ATOM 437 CG HIS A 309 -16.509 9.848 -18.429 1.00 17.42 C ATOM 438 ND1 HIS A 309 -16.114 11.167 -18.237 1.00 16.13 N ATOM 439 CD2 HIS A 309 -16.204 9.477 -19.692 1.00 18.53 C ATOM 440 CE1 HIS A 309 -15.581 11.551 -19.393 1.00 15.83 C ATOM 441 NE2 HIS A 309 -15.624 10.569 -20.299 1.00 17.83 N ATOM 442 H HIS A 309 -17.603 7.872 -15.045 1.00 0.00 H ATOM 443 N VAL A 310 -13.871 9.326 -16.237 1.00 14.50 N ATOM 444 CA VAL A 310 -12.890 10.184 -15.594 1.00 13.38 C ATOM 445 C VAL A 310 -12.119 11.008 -16.599 1.00 14.99 C ATOM 446 O VAL A 310 -11.908 10.602 -17.760 1.00 15.89 O ATOM 447 CB VAL A 310 -11.889 9.362 -14.735 1.00 16.49 C ATOM 448 CG1 VAL A 310 -12.607 8.486 -13.697 1.00 17.23 C ATOM 449 CG2 VAL A 310 -10.940 8.515 -15.587 1.00 17.41 C ATOM 450 H VAL A 310 -13.584 8.720 -17.032 1.00 0.00 H ATOM 451 N GLN A 311 -11.597 12.141 -16.097 1.00 13.76 N ATOM 452 CA GLN A 311 -10.621 12.973 -16.764 1.00 13.92 C ATOM 453 C GLN A 311 -9.270 12.718 -16.098 1.00 14.98 C ATOM 454 O GLN A 311 -9.188 12.741 -14.865 1.00 15.36 O ATOM 455 CB GLN A 311 -10.917 14.455 -16.550 1.00 16.03 C ATOM 456 CG GLN A 311 -12.253 14.894 -17.107 1.00 15.90 C ATOM 457 CD GLN A 311 -12.441 16.400 -17.088 1.00 18.15 C ATOM 458 OE1 GLN A 311 -13.445 16.904 -17.576 1.00 17.38 O ATOM 459 NE2 GLN A 311 -11.532 17.154 -16.460 1.00 17.30 N ATOM 460 HE22 GLN A 311 -10.684 16.713 -16.050 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.673 18.181 -16.382 1.00 0.00 H ATOM 462 H GLN A 311 -11.921 12.442 -15.156 1.00 0.00 H ATOM 463 N PHE A 312 -8.201 12.539 -16.887 1.00 14.32 N ATOM 464 CA PHE A 312 -6.862 12.412 -16.313 1.00 14.40 C ATOM 465 C PHE A 312 -6.277 13.788 -16.143 1.00 17.12 C ATOM 466 O PHE A 312 -6.296 14.582 -17.100 1.00 18.41 O ATOM 467 CB PHE A 312 -5.944 11.619 -17.276 1.00 16.14 C ATOM 468 CG PHE A 312 -6.379 10.177 -17.373 1.00 17.48 C ATOM 469 CD1 PHE A 312 -7.482 9.815 -18.148 1.00 21.13 C ATOM 470 CD2 PHE A 312 -5.743 9.189 -16.626 1.00 18.34 C ATOM 471 CE1 PHE A 312 -7.969 8.508 -18.143 1.00 22.58 C ATOM 472 CE2 PHE A 312 -6.218 7.872 -16.638 1.00 21.83 C ATOM 473 CZ PHE A 312 -7.323 7.539 -17.393 1.00 21.95 C ATOM 474 H PHE A 312 -8.325 12.490 -17.918 1.00 0.00 H ATOM 475 N PHE A 313 -5.667 14.050 -14.972 1.00 15.52 N ATOM 476 CA PHE A 313 -4.913 15.287 -14.806 1.00 15.54 C ATOM 477 C PHE A 313 -3.570 15.033 -15.474 1.00 18.04 C ATOM 478 O PHE A 313 -2.823 14.116 -15.094 1.00 18.02 O ATOM 479 CB PHE A 313 -4.690 15.605 -13.315 1.00 17.00 C ATOM 480 CG PHE A 313 -5.904 16.121 -12.589 1.00 15.54 C ATOM 481 CD1 PHE A 313 -6.366 17.415 -12.802 1.00 16.98 C ATOM 482 CD2 PHE A 313 -6.564 15.330 -11.670 1.00 17.41 C ATOM 483 CE1 PHE A 313 -7.497 17.891 -12.127 1.00 16.61 C ATOM 484 CE2 PHE A 313 -7.672 15.817 -10.981 1.00 17.41 C ATOM 485 CZ PHE A 313 -8.119 17.102 -11.194 1.00 15.55 C ATOM 486 H PHE A 313 -5.733 13.371 -14.187 1.00 0.00 H ATOM 487 N SER A 314 -3.230 15.899 -16.419 1.00 18.74 N ATOM 488 CA SER A 314 -2.029 15.754 -17.218 1.00 20.32 C ATOM 489 C SER A 314 -1.820 16.997 -18.063 1.00 26.45 C ATOM 490 O SER A 314 -2.764 17.743 -18.281 1.00 26.26 O ATOM 491 CB SER A 314 -2.292 14.631 -18.207 1.00 20.88 C ATOM 492 OG SER A 314 -1.158 14.373 -19.006 1.00 25.38 O ATOM 493 HG SER A 314 -1.361 13.639 -19.638 1.00 0.00 H ATOM 494 H SER A 314 -3.850 16.715 -16.594 1.00 0.00 H ATOM 495 N ASN A 315 -0.624 17.145 -18.664 1.00 24.52 N ATOM 496 CA ASN A 315 -0.409 18.200 -19.641 1.00 25.98 C ATOM 497 C ASN A 315 -1.010 17.757 -20.983 1.00 29.91 C ATOM 498 O ASN A 315 -1.080 18.560 -21.910 1.00 31.01 O ATOM 499 CB ASN A 315 1.100 18.495 -19.793 1.00 27.69 C ATOM 500 CG ASN A 315 1.877 17.328 -20.353 1.00 48.54 C ATOM 501 OD1 ASN A 315 1.680 16.167 -19.962 1.00 36.62 O ATOM 502 ND2 ASN A 315 2.752 17.609 -21.306 1.00 45.97 N ATOM 503 HD22 ASN A 315 2.892 18.594 -21.610 1.00 0.00 H ATOM 504 HD21 ASN A 315 3.299 16.845 -21.751 1.00 0.00 H ATOM 505 H ASN A 315 0.154 16.497 -18.427 1.00 0.00 H ATOM 506 N GLN A 316 -1.406 16.475 -21.096 1.00 26.59 N ATOM 507 CA GLN A 316 -2.033 15.890 -22.283 1.00 26.66 C ATOM 508 C GLN A 316 -3.424 15.400 -21.830 1.00 29.09 C ATOM 509 O GLN A 316 -3.548 14.247 -21.434 1.00 28.19 O ATOM 510 CB GLN A 316 -1.182 14.717 -22.805 1.00 29.14 C ATOM 511 CG GLN A 316 -1.756 13.969 -24.023 1.00 39.23 C ATOM 512 CD GLN A 316 -1.784 12.460 -23.846 1.00 61.85 C ATOM 513 OE1 GLN A 316 -2.034 11.925 -22.757 1.00 55.69 O ATOM 514 NE2 GLN A 316 -1.629 11.732 -24.941 1.00 54.80 N ATOM 515 HE22 GLN A 316 -1.419 12.195 -25.848 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.717 10.697 -24.894 1.00 0.00 H ATOM 517 H GLN A 316 -1.255 15.852 -20.277 1.00 0.00 H ATOM 518 N PRO A 317 -4.462 16.263 -21.858 1.00 25.51 N ATOM 519 CA PRO A 317 -5.779 15.835 -21.337 1.00 25.02 C ATOM 520 C PRO A 317 -6.406 14.671 -22.087 1.00 23.57 C ATOM 521 O PRO A 317 -6.352 14.594 -23.309 1.00 23.53 O ATOM 522 CB PRO A 317 -6.650 17.082 -21.430 1.00 28.58 C ATOM 523 CG PRO A 317 -5.848 18.144 -22.003 1.00 32.80 C ATOM 524 CD PRO A 317 -4.447 17.690 -22.239 1.00 28.91 C ATOM 525 N GLU A 318 -6.961 13.728 -21.320 1.00 19.51 N ATOM 526 CA GLU A 318 -7.607 12.530 -21.864 1.00 18.54 C ATOM 527 C GLU A 318 -8.722 12.163 -20.914 1.00 17.56 C ATOM 528 O GLU A 318 -8.735 12.600 -19.766 1.00 15.94 O ATOM 529 CB GLU A 318 -6.630 11.332 -21.947 1.00 21.61 C ATOM 530 CG GLU A 318 -5.390 11.533 -22.801 1.00 26.83 C ATOM 531 CD GLU A 318 -5.574 11.529 -24.308 1.00 39.00 C ATOM 532 OE1 GLU A 318 -4.551 11.641 -25.020 1.00 34.99 O ATOM 533 OE2 GLU A 318 -6.727 11.427 -24.785 1.00 29.81 O ATOM 534 H GLU A 318 -6.933 13.850 -20.288 1.00 0.00 H ATOM 535 N ARG A 319 -9.649 11.344 -21.398 1.00 16.27 N ATOM 536 CA ARG A 319 -10.777 10.854 -20.638 1.00 16.71 C ATOM 537 C ARG A 319 -10.895 9.363 -20.877 1.00 19.71 C ATOM 538 O ARG A 319 -10.368 8.850 -21.888 1.00 20.22 O ATOM 539 CB ARG A 319 -12.086 11.577 -21.023 1.00 18.39 C ATOM 540 CG ARG A 319 -12.250 11.650 -22.547 1.00 23.49 C ATOM 541 CD ARG A 319 -13.645 11.873 -23.110 1.00 29.00 C ATOM 542 NE ARG A 319 -14.543 10.745 -22.867 1.00 32.66 N ATOM 543 CZ ARG A 319 -14.610 9.636 -23.593 1.00 43.24 C ATOM 544 NH1 ARG A 319 -15.470 8.682 -23.273 1.00 31.15 N ATOM 545 NH2 ARG A 319 -13.785 9.452 -24.620 1.00 36.96 N ATOM 546 HE ARG A 319 -15.186 10.818 -22.053 1.00 0.00 H ATOM 547 HH12 ARG A 319 -15.520 7.814 -23.844 1.00 0.00 H ATOM 548 HH11 ARG A 319 -16.096 8.800 -22.451 1.00 0.00 H ATOM 549 HH22 ARG A 319 -13.843 8.580 -25.184 1.00 0.00 H ATOM 550 HH21 ARG A 319 -13.081 10.180 -24.859 1.00 0.00 H ATOM 551 H ARG A 319 -9.558 11.035 -22.387 1.00 0.00 H ATOM 552 N ALA A 320 -11.569 8.672 -19.961 1.00 17.25 N ATOM 553 CA ALA A 320 -11.799 7.246 -20.111 1.00 18.56 C ATOM 554 C ALA A 320 -12.927 6.772 -19.242 1.00 16.73 C ATOM 555 O ALA A 320 -13.214 7.353 -18.195 1.00 17.11 O ATOM 556 CB ALA A 320 -10.538 6.464 -19.756 1.00 20.14 C ATOM 557 H ALA A 320 -11.938 9.163 -19.122 1.00 0.00 H ATOM 558 N TRP A 321 -13.533 5.653 -19.674 1.00 18.08 N ATOM 559 CA TRP A 321 -14.479 4.871 -18.891 1.00 18.24 C ATOM 560 C TRP A 321 -13.633 3.835 -18.190 1.00 20.93 C ATOM 561 O TRP A 321 -12.853 3.136 -18.850 1.00 23.43 O ATOM 562 CB TRP A 321 -15.526 4.191 -19.789 1.00 18.76 C ATOM 563 CG TRP A 321 -16.644 5.109 -20.121 1.00 19.24 C ATOM 564 CD1 TRP A 321 -16.845 5.781 -21.292 1.00 22.33 C ATOM 565 CD2 TRP A 321 -17.684 5.520 -19.234 1.00 18.49 C ATOM 566 NE1 TRP A 321 -17.986 6.559 -21.198 1.00 22.06 N ATOM 567 CE2 TRP A 321 -18.510 6.422 -19.940 1.00 22.69 C ATOM 568 CE3 TRP A 321 -17.998 5.214 -17.900 1.00 19.63 C ATOM 569 CZ2 TRP A 321 -19.645 6.999 -19.365 1.00 22.03 C ATOM 570 CZ3 TRP A 321 -19.140 5.772 -17.341 1.00 20.98 C ATOM 571 CH2 TRP A 321 -19.927 6.676 -18.065 1.00 21.28 C ATOM 572 HE1 TRP A 321 -18.380 7.150 -21.957 1.00 0.00 H ATOM 573 H TRP A 321 -13.311 5.323 -20.635 1.00 0.00 H ATOM 574 N VAL A 322 -13.739 3.769 -16.868 1.00 18.09 N ATOM 575 CA VAL A 322 -12.899 2.890 -16.054 1.00 18.68 C ATOM 576 C VAL A 322 -13.728 1.985 -15.144 1.00 22.38 C ATOM 577 O VAL A 322 -14.586 2.463 -14.402 1.00 21.17 O ATOM 578 CB VAL A 322 -11.905 3.736 -15.194 1.00 20.71 C ATOM 579 CG1 VAL A 322 -10.880 2.845 -14.495 1.00 21.51 C ATOM 580 CG2 VAL A 322 -11.209 4.816 -16.022 1.00 20.28 C ATOM 581 H VAL A 322 -14.446 4.365 -16.393 1.00 0.00 H ATOM 582 N HIS A 323 -13.423 0.672 -15.151 1.00 21.55 N ATOM 583 CA HIS A 323 -14.075 -0.284 -14.253 1.00 23.23 C ATOM 584 C HIS A 323 -13.934 0.194 -12.802 1.00 24.46 C ATOM 585 O HIS A 323 -12.849 0.637 -12.382 1.00 23.75 O ATOM 586 CB HIS A 323 -13.401 -1.652 -14.406 1.00 24.24 C ATOM 587 CG HIS A 323 -14.129 -2.808 -13.760 1.00 28.90 C ATOM 588 ND1 HIS A 323 -14.234 -2.918 -12.386 1.00 30.98 N ATOM 589 CD2 HIS A 323 -14.706 -3.895 -14.326 1.00 33.24 C ATOM 590 CE1 HIS A 323 -14.897 -4.045 -12.163 1.00 32.97 C ATOM 591 NE2 HIS A 323 -15.197 -4.661 -13.297 1.00 34.69 N ATOM 592 H HIS A 323 -12.701 0.327 -15.816 1.00 0.00 H ATOM 593 N GLU A 324 -14.997 0.050 -12.019 1.00 24.17 N ATOM 594 CA GLU A 324 -15.018 0.497 -10.620 1.00 24.57 C ATOM 595 C GLU A 324 -13.864 -0.083 -9.778 1.00 29.73 C ATOM 596 O GLU A 324 -13.400 0.589 -8.856 1.00 28.99 O ATOM 597 CB GLU A 324 -16.382 0.165 -9.973 1.00 27.36 C ATOM 598 CG GLU A 324 -16.719 -1.328 -9.938 1.00 32.10 C ATOM 599 CD GLU A 324 -17.988 -1.733 -9.210 1.00 53.24 C ATOM 600 OE1 GLU A 324 -18.300 -2.946 -9.191 1.00 50.40 O ATOM 601 OE2 GLU A 324 -18.673 -0.842 -8.658 1.00 42.17 O ATOM 602 H GLU A 324 -15.849 -0.398 -12.412 1.00 0.00 H ATOM 603 N LYS A 325 -13.390 -1.309 -10.099 1.00 28.86 N ATOM 604 CA LYS A 325 -12.281 -1.952 -9.375 1.00 29.11 C ATOM 605 C LYS A 325 -10.944 -1.258 -9.634 1.00 30.57 C ATOM 606 O LYS A 325 -9.976 -1.497 -8.903 1.00 32.50 O ATOM 607 CB LYS A 325 -12.146 -3.420 -9.775 1.00 33.34 C ATOM 608 CG LYS A 325 -13.187 -4.319 -9.124 1.00 44.45 C ATOM 609 CD LYS A 325 -13.047 -5.762 -9.584 1.00 57.82 C ATOM 610 CE LYS A 325 -14.208 -6.608 -9.120 1.00 71.88 C ATOM 611 NZ LYS A 325 -14.036 -8.033 -9.500 1.00 83.66 N ATOM 612 HZ1 LYS A 325 -13.968 -8.109 -10.535 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -13.166 -8.404 -9.066 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -14.853 -8.581 -9.164 1.00 0.00 H ATOM 615 H LYS A 325 -13.828 -1.820 -10.892 1.00 0.00 H ATOM 616 N ARG A 326 -10.882 -0.419 -10.683 1.00 24.48 N ATOM 617 CA ARG A 326 -9.671 0.319 -11.063 1.00 23.10 C ATOM 618 C ARG A 326 -9.786 1.805 -10.744 1.00 24.22 C ATOM 619 O ARG A 326 -9.000 2.606 -11.257 1.00 23.02 O ATOM 620 CB ARG A 326 -9.364 0.096 -12.544 1.00 24.49 C ATOM 621 CG ARG A 326 -8.853 -1.319 -12.835 1.00 31.24 C ATOM 622 CD ARG A 326 -9.100 -1.692 -14.279 1.00 39.62 C ATOM 623 NE ARG A 326 -8.411 -2.926 -14.663 1.00 59.19 N ATOM 624 CZ ARG A 326 -9.015 -4.095 -14.868 1.00 79.97 C ATOM 625 NH1 ARG A 326 -8.307 -5.161 -15.220 1.00 67.43 N ATOM 626 NH2 ARG A 326 -10.332 -4.204 -14.729 1.00 68.06 N ATOM 627 HE ARG A 326 -7.379 -2.887 -14.784 1.00 0.00 H ATOM 628 HH12 ARG A 326 -8.783 -6.072 -15.379 1.00 0.00 H ATOM 629 HH11 ARG A 326 -7.276 -5.085 -15.337 1.00 0.00 H ATOM 630 HH22 ARG A 326 -10.798 -5.120 -14.890 1.00 0.00 H ATOM 631 HH21 ARG A 326 -10.897 -3.374 -14.459 1.00 0.00 H ATOM 632 H ARG A 326 -11.739 -0.286 -11.257 1.00 0.00 H ATOM 633 N VAL A 327 -10.723 2.169 -9.856 1.00 22.49 N ATOM 634 CA VAL A 327 -10.954 3.547 -9.401 1.00 21.64 C ATOM 635 C VAL A 327 -10.858 3.530 -7.883 1.00 26.47 C ATOM 636 O VAL A 327 -11.381 2.598 -7.244 1.00 28.55 O ATOM 637 CB VAL A 327 -12.314 4.107 -9.902 1.00 23.69 C ATOM 638 CG1 VAL A 327 -12.538 5.537 -9.434 1.00 23.88 C ATOM 639 CG2 VAL A 327 -12.408 4.052 -11.425 1.00 22.68 C ATOM 640 H VAL A 327 -11.330 1.422 -9.461 1.00 0.00 H ATOM 641 N ARG A 328 -10.162 4.533 -7.302 1.00 22.77 N ATOM 642 CA ARG A 328 -10.008 4.665 -5.841 1.00 23.55 C ATOM 643 C ARG A 328 -10.138 6.123 -5.447 1.00 23.61 C ATOM 644 O ARG A 328 -9.662 6.995 -6.178 1.00 21.70 O ATOM 645 CB ARG A 328 -8.618 4.168 -5.381 1.00 26.35 C ATOM 646 CG ARG A 328 -8.292 2.706 -5.682 1.00 33.12 C ATOM 647 CD ARG A 328 -8.901 1.733 -4.676 1.00 37.52 C ATOM 648 NE ARG A 328 -8.448 0.359 -4.917 1.00 38.97 N ATOM 649 CZ ARG A 328 -9.001 -0.470 -5.796 1.00 59.09 C ATOM 650 NH1 ARG A 328 -8.516 -1.693 -5.959 1.00 48.23 N ATOM 651 NH2 ARG A 328 -10.052 -0.085 -6.513 1.00 46.45 N ATOM 652 HE ARG A 328 -7.640 0.010 -4.363 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.953 -2.338 -6.648 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.699 -2.008 -5.398 1.00 0.00 H ATOM 655 HH22 ARG A 328 -10.481 -0.738 -7.199 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.446 0.869 -6.388 1.00 0.00 H ATOM 657 H ARG A 328 -9.714 5.245 -7.914 1.00 0.00 H ATOM 658 N GLU A 329 -10.748 6.416 -4.304 1.00 24.16 N ATOM 659 CA GLU A 329 -10.821 7.789 -3.823 1.00 23.32 C ATOM 660 C GLU A 329 -9.395 8.388 -3.717 1.00 24.08 C ATOM 661 O GLU A 329 -8.479 7.722 -3.220 1.00 24.95 O ATOM 662 CB GLU A 329 -11.510 7.846 -2.449 1.00 26.71 C ATOM 663 CG GLU A 329 -11.587 9.253 -1.869 1.00 32.13 C ATOM 664 CD GLU A 329 -12.098 9.378 -0.445 1.00 56.48 C ATOM 665 OE1 GLU A 329 -12.329 10.528 -0.007 1.00 57.10 O ATOM 666 OE2 GLU A 329 -12.251 8.340 0.239 1.00 52.43 O ATOM 667 H GLU A 329 -11.180 5.654 -3.744 1.00 0.00 H ATOM 668 N TYR A 330 -9.212 9.619 -4.204 1.00 20.77 N ATOM 669 CA TYR A 330 -7.919 10.287 -4.111 1.00 19.92 C ATOM 670 C TYR A 330 -7.918 11.096 -2.818 1.00 25.55 C ATOM 671 O TYR A 330 -8.615 12.106 -2.727 1.00 24.31 O ATOM 672 CB TYR A 330 -7.716 11.236 -5.295 1.00 19.68 C ATOM 673 CG TYR A 330 -6.358 11.909 -5.327 1.00 18.39 C ATOM 674 CD1 TYR A 330 -6.155 13.151 -4.724 1.00 20.26 C ATOM 675 CD2 TYR A 330 -5.304 11.352 -6.033 1.00 19.03 C ATOM 676 CE1 TYR A 330 -4.911 13.779 -4.763 1.00 20.19 C ATOM 677 CE2 TYR A 330 -4.057 11.973 -6.090 1.00 19.17 C ATOM 678 CZ TYR A 330 -3.863 13.184 -5.448 1.00 19.96 C ATOM 679 OH TYR A 330 -2.643 13.815 -5.507 1.00 20.25 O ATOM 680 HH TYR A 330 -2.686 14.662 -4.996 1.00 0.00 H ATOM 681 H TYR A 330 -10.008 10.111 -4.659 1.00 0.00 H ATOM 682 N LYS A 331 -7.135 10.659 -1.830 1.00 23.56 N ATOM 683 CA LYS A 331 -7.048 11.362 -0.546 1.00 25.17 C ATOM 684 C LYS A 331 -5.815 12.287 -0.483 1.00 28.95 C ATOM 685 O LYS A 331 -5.754 13.201 0.349 1.00 32.05 O ATOM 686 CB LYS A 331 -7.018 10.339 0.608 1.00 29.35 C ATOM 687 CG LYS A 331 -8.219 9.400 0.636 1.00 40.86 C ATOM 688 CD LYS A 331 -8.022 8.266 1.642 1.00 53.65 C ATOM 689 CE LYS A 331 -9.176 7.297 1.644 1.00 65.34 C ATOM 690 NZ LYS A 331 -8.956 6.186 2.609 1.00 79.65 N ATOM 691 HZ1 LYS A 331 -8.092 5.668 2.349 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -8.852 6.576 3.567 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -9.770 5.539 2.583 1.00 0.00 H ATOM 694 H LYS A 331 -6.571 9.797 -1.974 1.00 0.00 H ATOM 695 N GLY A 332 -4.836 12.008 -1.326 1.00 23.84 N ATOM 696 CA GLY A 332 -3.576 12.739 -1.386 1.00 23.03 C ATOM 697 C GLY A 332 -2.506 11.964 -2.120 1.00 24.54 C ATOM 698 O GLY A 332 -2.583 10.738 -2.215 1.00 23.10 O ATOM 699 H GLY A 332 -4.973 11.218 -1.988 1.00 0.00 H ATOM 700 N HIS A 333 -1.486 12.663 -2.653 1.00 22.71 N ATOM 701 CA HIS A 333 -0.447 12.022 -3.460 1.00 22.22 C ATOM 702 C HIS A 333 0.310 10.901 -2.759 1.00 24.26 C ATOM 703 O HIS A 333 0.758 9.961 -3.412 1.00 24.54 O ATOM 704 CB HIS A 333 0.533 13.057 -4.023 1.00 24.21 C ATOM 705 CG HIS A 333 1.462 13.668 -3.013 1.00 29.18 C ATOM 706 ND1 HIS A 333 1.037 14.640 -2.124 1.00 32.03 N ATOM 707 CD2 HIS A 333 2.775 13.426 -2.804 1.00 32.13 C ATOM 708 CE1 HIS A 333 2.105 14.950 -1.401 1.00 32.53 C ATOM 709 NE2 HIS A 333 3.172 14.252 -1.783 1.00 33.16 N ATOM 710 H HIS A 333 -1.435 13.688 -2.486 1.00 0.00 H ATOM 711 N LYS A 334 0.457 11.002 -1.421 1.00 25.09 N ATOM 712 CA LYS A 334 1.189 10.001 -0.649 1.00 25.68 C ATOM 713 C LYS A 334 0.503 8.634 -0.599 1.00 30.26 C ATOM 714 O LYS A 334 1.130 7.625 -0.251 1.00 30.82 O ATOM 715 CB LYS A 334 1.509 10.520 0.760 1.00 29.31 C ATOM 716 CG LYS A 334 2.478 11.681 0.717 1.00 31.04 C ATOM 717 CD LYS A 334 2.733 12.250 2.112 1.00 37.81 C ATOM 718 CE LYS A 334 3.954 13.124 2.106 1.00 44.83 C ATOM 719 NZ LYS A 334 4.030 13.957 3.334 1.00 44.44 N ATOM 720 HZ1 LYS A 334 3.188 14.565 3.392 1.00 0.00 H ATOM 721 HZ2 LYS A 334 4.070 13.338 4.169 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.885 14.549 3.298 1.00 0.00 H ATOM 723 H LYS A 334 0.038 11.815 -0.926 1.00 0.00 H ATOM 724 N GLN A 335 -0.754 8.589 -1.043 1.00 25.14 N ATOM 725 CA GLN A 335 -1.531 7.359 -1.103 1.00 25.30 C ATOM 726 C GLN A 335 -0.972 6.407 -2.168 1.00 28.47 C ATOM 727 O GLN A 335 -1.292 5.220 -2.133 1.00 27.57 O ATOM 728 CB GLN A 335 -2.986 7.747 -1.371 1.00 25.27 C ATOM 729 CG GLN A 335 -4.041 6.677 -1.242 1.00 33.10 C ATOM 730 CD GLN A 335 -5.355 7.196 -1.776 1.00 43.61 C ATOM 731 OE1 GLN A 335 -5.512 8.394 -2.093 1.00 29.68 O ATOM 732 NE2 GLN A 335 -6.320 6.302 -1.916 1.00 40.73 N ATOM 733 HE22 GLN A 335 -6.156 5.312 -1.642 1.00 0.00 H ATOM 734 HE21 GLN A 335 -7.243 6.589 -2.300 1.00 0.00 H ATOM 735 H GLN A 335 -1.200 9.473 -1.361 1.00 0.00 H ATOM 736 N TYR A 336 -0.126 6.915 -3.101 1.00 25.69 N ATOM 737 CA TYR A 336 0.450 6.104 -4.188 1.00 24.63 C ATOM 738 C TYR A 336 1.145 4.859 -3.654 1.00 29.40 C ATOM 739 O TYR A 336 0.971 3.785 -4.209 1.00 28.05 O ATOM 740 CB TYR A 336 1.416 6.919 -5.068 1.00 24.86 C ATOM 741 CG TYR A 336 1.875 6.157 -6.300 1.00 25.69 C ATOM 742 CD1 TYR A 336 1.032 5.991 -7.397 1.00 23.98 C ATOM 743 CD2 TYR A 336 3.144 5.588 -6.361 1.00 28.40 C ATOM 744 CE1 TYR A 336 1.444 5.284 -8.528 1.00 24.04 C ATOM 745 CE2 TYR A 336 3.566 4.881 -7.485 1.00 30.35 C ATOM 746 CZ TYR A 336 2.705 4.709 -8.556 1.00 31.56 C ATOM 747 OH TYR A 336 3.109 4.009 -9.672 1.00 31.77 O ATOM 748 HH TYR A 336 2.371 3.987 -10.331 1.00 0.00 H ATOM 749 H TYR A 336 0.127 7.922 -3.046 1.00 0.00 H ATOM 750 N GLU A 337 1.876 4.992 -2.530 1.00 29.14 N ATOM 751 CA GLU A 337 2.566 3.851 -1.925 1.00 32.42 C ATOM 752 C GLU A 337 1.595 2.736 -1.481 1.00 36.70 C ATOM 753 O GLU A 337 1.892 1.553 -1.655 1.00 36.81 O ATOM 754 CB GLU A 337 3.468 4.332 -0.786 1.00 36.17 C ATOM 755 CG GLU A 337 4.589 5.242 -1.273 1.00 48.71 C ATOM 756 CD GLU A 337 5.433 5.900 -0.199 1.00 84.71 C ATOM 757 OE1 GLU A 337 5.072 7.015 0.244 1.00 85.18 O ATOM 758 OE2 GLU A 337 6.466 5.308 0.188 1.00 86.58 O ATOM 759 H GLU A 337 1.952 5.927 -2.081 1.00 0.00 H ATOM 760 N GLU A 338 0.422 3.122 -0.967 1.00 33.40 N ATOM 761 CA GLU A 338 -0.647 2.205 -0.543 1.00 35.40 C ATOM 762 C GLU A 338 -1.250 1.498 -1.753 1.00 38.04 C ATOM 763 O GLU A 338 -1.664 0.344 -1.650 1.00 40.13 O ATOM 764 CB GLU A 338 -1.746 2.958 0.220 1.00 37.23 C ATOM 765 CG GLU A 338 -1.319 3.503 1.573 1.00 51.23 C ATOM 766 CD GLU A 338 -2.048 4.760 2.016 1.00 76.34 C ATOM 767 OE1 GLU A 338 -3.289 4.828 1.855 1.00 67.49 O ATOM 768 OE2 GLU A 338 -1.375 5.676 2.542 1.00 75.21 O ATOM 769 H GLU A 338 0.254 4.143 -0.860 1.00 0.00 H ATOM 770 N LEU A 339 -1.286 2.182 -2.908 1.00 31.81 N ATOM 771 CA LEU A 339 -1.805 1.577 -4.129 1.00 30.14 C ATOM 772 C LEU A 339 -0.817 0.556 -4.664 1.00 36.65 C ATOM 773 O LEU A 339 -1.247 -0.533 -5.058 1.00 35.82 O ATOM 774 CB LEU A 339 -2.125 2.638 -5.181 1.00 27.30 C ATOM 775 CG LEU A 339 -3.226 3.597 -4.765 1.00 29.70 C ATOM 776 CD1 LEU A 339 -3.305 4.774 -5.714 1.00 27.23 C ATOM 777 CD2 LEU A 339 -4.576 2.888 -4.672 1.00 33.80 C ATOM 778 H LEU A 339 -0.937 3.161 -2.932 1.00 0.00 H ATOM 779 N LEU A 340 0.496 0.893 -4.647 1.00 36.15 N ATOM 780 CA LEU A 340 1.574 -0.020 -5.060 1.00 39.67 C ATOM 781 C LEU A 340 1.582 -1.277 -4.202 1.00 45.57 C ATOM 782 O LEU A 340 2.022 -2.329 -4.674 1.00 45.99 O ATOM 783 CB LEU A 340 2.961 0.646 -4.974 1.00 41.11 C ATOM 784 CG LEU A 340 3.370 1.663 -6.046 1.00 45.33 C ATOM 785 CD1 LEU A 340 4.836 2.017 -5.893 1.00 46.95 C ATOM 786 CD2 LEU A 340 3.125 1.143 -7.474 1.00 47.09 C ATOM 787 H LEU A 340 0.755 1.847 -4.325 1.00 0.00 H ATOM 788 N ALA A 341 1.109 -1.170 -2.937 1.00 41.28 N ATOM 789 CA ALA A 341 1.044 -2.296 -2.003 1.00 42.62 C ATOM 790 C ALA A 341 -0.034 -3.327 -2.346 1.00 47.93 C ATOM 791 O ALA A 341 0.208 -4.515 -2.132 1.00 48.67 O ATOM 792 CB ALA A 341 0.865 -1.801 -0.575 1.00 44.22 C ATOM 793 H ALA A 341 0.775 -0.240 -2.612 1.00 0.00 H ATOM 794 N GLU A 342 -1.206 -2.886 -2.868 1.00 45.45 N ATOM 795 CA GLU A 342 -2.358 -3.733 -3.240 1.00 46.83 C ATOM 796 C GLU A 342 -1.992 -4.959 -4.079 1.00 54.11 C ATOM 797 O GLU A 342 -2.635 -6.004 -3.947 1.00 55.94 O ATOM 798 CB GLU A 342 -3.420 -2.917 -3.983 1.00 45.75 C ATOM 799 CG GLU A 342 -4.366 -2.132 -3.092 1.00 55.92 C ATOM 800 CD GLU A 342 -5.449 -1.378 -3.844 1.00 73.74 C ATOM 801 OE1 GLU A 342 -5.934 -1.895 -4.877 1.00 66.06 O ATOM 802 OE2 GLU A 342 -5.828 -0.276 -3.389 1.00 69.50 O ATOM 803 H GLU A 342 -1.302 -1.862 -3.020 1.00 0.00 H ATOM 804 N ALA A 343 -0.973 -4.812 -4.950 1.00 50.34 N ATOM 805 CA ALA A 343 -0.451 -5.851 -5.831 1.00 85.96 C ATOM 806 C ALA A 343 0.325 -6.893 -5.029 1.00131.26 C ATOM 807 O ALA A 343 -0.184 -7.981 -4.771 1.00100.61 O ATOM 808 CB ALA A 343 0.457 -5.224 -6.871 1.00 85.19 C ATOM 809 H ALA A 343 -0.520 -3.877 -4.998 1.00 0.00 H TER 810 ALA A 343 ATOM 811 N GLN A 354 13.006 -10.390 -1.386 1.00 73.07 N ATOM 812 CA GLN A 354 13.238 -9.001 -1.767 1.00 69.87 C ATOM 813 C GLN A 354 11.977 -8.344 -2.280 1.00 71.38 C ATOM 814 O GLN A 354 11.169 -8.990 -2.957 1.00 71.32 O ATOM 815 CB GLN A 354 14.326 -8.894 -2.850 1.00 71.29 C ATOM 816 CG GLN A 354 15.757 -9.012 -2.330 1.00 78.67 C ATOM 817 CD GLN A 354 16.789 -8.863 -3.427 1.00 88.95 C ATOM 818 OE1 GLN A 354 16.758 -9.549 -4.453 1.00 83.68 O ATOM 819 NE2 GLN A 354 17.756 -7.984 -3.220 1.00 75.24 N ATOM 820 HE22 GLN A 354 17.764 -7.416 -2.349 1.00 0.00 H ATOM 821 HE21 GLN A 354 18.508 -7.862 -3.928 1.00 0.00 H ATOM 822 HN3 GLN A 354 12.671 -10.924 -2.213 1.00 0.00 H ATOM 823 HN2 GLN A 354 12.288 -10.427 -0.635 1.00 0.00 H ATOM 824 HN1 GLN A 354 13.894 -10.806 -1.039 1.00 0.00 H ATOM 825 N LYS A 355 11.825 -7.039 -1.998 1.00 65.31 N ATOM 826 CA LYS A 355 10.701 -6.260 -2.493 1.00 61.64 C ATOM 827 C LYS A 355 10.961 -5.978 -3.964 1.00 62.39 C ATOM 828 O LYS A 355 12.109 -5.746 -4.354 1.00 62.49 O ATOM 829 CB LYS A 355 10.548 -4.943 -1.714 1.00 62.96 C ATOM 830 CG LYS A 355 9.948 -5.135 -0.326 1.00 81.44 C ATOM 831 CD LYS A 355 10.352 -4.030 0.632 1.00 92.15 C ATOM 832 CE LYS A 355 9.385 -2.875 0.658 1.00 99.91 C ATOM 833 NZ LYS A 355 9.876 -1.776 1.527 1.00108.54 N ATOM 834 HZ1 LYS A 355 9.994 -2.130 2.498 1.00 0.00 H ATOM 835 HZ2 LYS A 355 10.790 -1.434 1.168 1.00 0.00 H ATOM 836 HZ3 LYS A 355 9.187 -0.997 1.522 1.00 0.00 H ATOM 837 H LYS A 355 12.537 -6.569 -1.404 1.00 0.00 H ATOM 838 N ILE A 356 9.915 -6.058 -4.784 1.00 56.43 N ATOM 839 CA ILE A 356 10.037 -5.809 -6.213 1.00 54.80 C ATOM 840 C ILE A 356 9.339 -4.525 -6.586 1.00 54.25 C ATOM 841 O ILE A 356 8.122 -4.379 -6.405 1.00 52.77 O ATOM 842 CB ILE A 356 9.584 -7.006 -7.102 1.00 58.82 C ATOM 843 CG1 ILE A 356 10.379 -8.289 -6.788 1.00 62.92 C ATOM 844 CG2 ILE A 356 9.699 -6.633 -8.582 1.00 58.41 C ATOM 845 CD1 ILE A 356 9.732 -9.622 -7.321 1.00 70.63 C ATOM 846 H ILE A 356 8.984 -6.306 -4.392 1.00 0.00 H ATOM 847 N ARG A 357 10.106 -3.598 -7.144 1.00 48.42 N ATOM 848 CA ARG A 357 9.537 -2.349 -7.589 1.00 45.49 C ATOM 849 C ARG A 357 9.842 -2.110 -9.043 1.00 44.15 C ATOM 850 O ARG A 357 10.958 -2.369 -9.502 1.00 44.10 O ATOM 851 CB ARG A 357 9.998 -1.171 -6.711 1.00 47.93 C ATOM 852 CG ARG A 357 9.163 -1.017 -5.447 1.00 66.25 C ATOM 853 CD ARG A 357 9.288 0.370 -4.849 1.00 87.14 C ATOM 854 NE ARG A 357 8.674 0.444 -3.521 1.00104.69 N ATOM 855 CZ ARG A 357 9.253 0.983 -2.452 1.00125.58 C ATOM 856 NH1 ARG A 357 10.467 1.514 -2.541 1.00115.87 N ATOM 857 NH2 ARG A 357 8.621 1.002 -1.287 1.00115.17 N ATOM 858 HE ARG A 357 7.719 0.048 -3.406 1.00 0.00 H ATOM 859 HH12 ARG A 357 10.914 1.934 -1.701 1.00 0.00 H ATOM 860 HH11 ARG A 357 10.971 1.510 -3.451 1.00 0.00 H ATOM 861 HH22 ARG A 357 9.078 1.425 -0.454 1.00 0.00 H ATOM 862 HH21 ARG A 357 7.668 0.594 -1.206 1.00 0.00 H ATOM 863 H ARG A 357 11.124 -3.773 -7.262 1.00 0.00 H ATOM 864 N LYS A 358 8.837 -1.657 -9.765 1.00 37.91 N ATOM 865 CA LYS A 358 8.959 -1.263 -11.152 1.00 35.40 C ATOM 866 C LYS A 358 9.677 0.078 -11.185 1.00 37.43 C ATOM 867 O LYS A 358 9.367 0.958 -10.359 1.00 37.62 O ATOM 868 CB LYS A 358 7.593 -1.151 -11.822 1.00 34.93 C ATOM 869 CG LYS A 358 6.905 -2.489 -11.987 1.00 35.42 C ATOM 870 CD LYS A 358 5.696 -2.347 -12.844 1.00 38.06 C ATOM 871 CE LYS A 358 5.015 -3.673 -13.027 1.00 41.00 C ATOM 872 NZ LYS A 358 3.854 -3.556 -13.938 1.00 48.69 N ATOM 873 HZ1 LYS A 358 3.169 -2.882 -13.540 1.00 0.00 H ATOM 874 HZ2 LYS A 358 4.176 -3.216 -14.867 1.00 0.00 H ATOM 875 HZ3 LYS A 358 3.404 -4.487 -14.045 1.00 0.00 H ATOM 876 H LYS A 358 7.904 -1.578 -9.313 1.00 0.00 H ATOM 877 N PRO A 359 10.612 0.289 -12.134 1.00 35.80 N ATOM 878 CA PRO A 359 11.242 1.612 -12.234 1.00 35.91 C ATOM 879 C PRO A 359 10.225 2.617 -12.759 1.00 40.82 C ATOM 880 O PRO A 359 9.175 2.237 -13.293 1.00 38.14 O ATOM 881 CB PRO A 359 12.391 1.395 -13.217 1.00 39.66 C ATOM 882 CG PRO A 359 11.939 0.258 -14.074 1.00 45.23 C ATOM 883 CD PRO A 359 11.095 -0.623 -13.192 1.00 39.97 C ATOM 884 N ARG A 360 10.518 3.893 -12.561 1.00 40.84 N ATOM 885 CA ARG A 360 9.625 4.954 -12.994 1.00 40.74 C ATOM 886 C ARG A 360 10.216 5.657 -14.224 1.00 47.65 C ATOM 887 O ARG A 360 11.141 6.459 -14.066 1.00 47.07 O ATOM 888 CB ARG A 360 9.356 5.926 -11.832 1.00 42.82 C ATOM 889 CG ARG A 360 8.490 5.342 -10.719 1.00 56.82 C ATOM 890 CD ARG A 360 8.430 6.289 -9.536 1.00 75.94 C ATOM 891 NE ARG A 360 7.533 5.810 -8.484 1.00 93.31 N ATOM 892 CZ ARG A 360 7.485 6.312 -7.253 1.00113.10 C ATOM 893 NH1 ARG A 360 8.293 7.305 -6.900 1.00103.59 N ATOM 894 NH2 ARG A 360 6.638 5.816 -6.361 1.00101.46 N ATOM 895 HE ARG A 360 6.890 5.025 -8.714 1.00 0.00 H ATOM 896 HH12 ARG A 360 8.250 7.693 -5.936 1.00 0.00 H ATOM 897 HH11 ARG A 360 8.969 7.695 -7.588 1.00 0.00 H ATOM 898 HH22 ARG A 360 6.604 6.212 -5.400 1.00 0.00 H ATOM 899 HH21 ARG A 360 6.008 5.031 -6.623 1.00 0.00 H ATOM 900 H ARG A 360 11.408 4.142 -12.084 1.00 0.00 H ATOM 901 N PRO A 361 9.712 5.345 -15.454 1.00 47.29 N ATOM 902 CA PRO A 361 10.232 6.018 -16.665 1.00 49.00 C ATOM 903 C PRO A 361 10.121 7.542 -16.575 1.00 52.81 C ATOM 904 O PRO A 361 9.066 8.058 -16.196 1.00 50.58 O ATOM 905 CB PRO A 361 9.368 5.445 -17.800 1.00 50.46 C ATOM 906 CG PRO A 361 8.182 4.857 -17.146 1.00 52.75 C ATOM 907 CD PRO A 361 8.627 4.401 -15.792 1.00 48.11 C ATOM 908 N GLN A 362 11.233 8.241 -16.888 1.00 51.33 N ATOM 909 CA GLN A 362 11.447 9.693 -16.798 1.00 51.19 C ATOM 910 C GLN A 362 10.333 10.565 -17.391 1.00 52.53 C ATOM 911 O GLN A 362 9.855 11.461 -16.691 1.00 50.00 O ATOM 912 CB GLN A 362 12.805 10.081 -17.409 1.00 55.34 C ATOM 913 CG GLN A 362 13.413 11.337 -16.787 1.00 73.85 C ATOM 914 CD GLN A 362 14.846 11.551 -17.208 1.00 97.61 C ATOM 915 OE1 GLN A 362 15.135 12.055 -18.298 1.00 95.30 O ATOM 916 NE2 GLN A 362 15.778 11.191 -16.338 1.00 90.28 N ATOM 917 HE22 GLN A 362 15.504 10.769 -15.428 1.00 0.00 H ATOM 918 HE21 GLN A 362 16.783 11.330 -16.565 1.00 0.00 H ATOM 919 H GLN A 362 12.039 7.683 -17.236 1.00 0.00 H ATOM 920 N ARG A 363 9.940 10.326 -18.665 1.00 48.58 N ATOM 921 CA ARG A 363 8.903 11.110 -19.347 1.00 47.46 C ATOM 922 C ARG A 363 7.544 10.945 -18.681 1.00 46.96 C ATOM 923 O ARG A 363 6.851 11.943 -18.441 1.00 45.12 O ATOM 924 CB ARG A 363 8.831 10.763 -20.843 1.00 51.32 C ATOM 925 CG ARG A 363 10.006 11.317 -21.640 1.00 69.14 C ATOM 926 CD ARG A 363 10.041 10.812 -23.068 1.00 85.17 C ATOM 927 NE ARG A 363 11.144 11.417 -23.818 1.00 98.87 N ATOM 928 CZ ARG A 363 11.377 11.222 -25.113 1.00116.24 C ATOM 929 NH1 ARG A 363 10.586 10.428 -25.825 1.00104.07 N ATOM 930 NH2 ARG A 363 12.402 11.819 -25.705 1.00104.88 N ATOM 931 HE ARG A 363 11.792 12.045 -23.301 1.00 0.00 H ATOM 932 HH12 ARG A 363 10.773 10.279 -26.837 1.00 0.00 H ATOM 933 HH11 ARG A 363 9.779 9.955 -25.371 1.00 0.00 H ATOM 934 HH22 ARG A 363 12.580 11.664 -26.718 1.00 0.00 H ATOM 935 HH21 ARG A 363 13.028 12.443 -25.157 1.00 0.00 H ATOM 936 H ARG A 363 10.395 9.549 -19.185 1.00 0.00 H ATOM 937 N GLU A 364 7.174 9.685 -18.369 1.00 40.58 N ATOM 938 CA GLU A 364 5.918 9.334 -17.710 1.00 37.99 C ATOM 939 C GLU A 364 5.871 9.943 -16.306 1.00 38.63 C ATOM 940 O GLU A 364 4.861 10.554 -15.958 1.00 34.63 O ATOM 941 CB GLU A 364 5.760 7.814 -17.648 1.00 39.48 C ATOM 942 CG GLU A 364 4.377 7.342 -17.244 1.00 46.15 C ATOM 943 CD GLU A 364 4.261 5.833 -17.271 1.00 61.06 C ATOM 944 OE1 GLU A 364 4.730 5.185 -16.308 1.00 54.14 O ATOM 945 OE2 GLU A 364 3.735 5.295 -18.271 1.00 50.48 O ATOM 946 H GLU A 364 7.826 8.913 -18.614 1.00 0.00 H ATOM 947 N ARG A 365 6.977 9.815 -15.533 1.00 36.41 N ATOM 948 CA ARG A 365 7.130 10.363 -14.171 1.00 35.46 C ATOM 949 C ARG A 365 6.898 11.876 -14.178 1.00 36.65 C ATOM 950 O ARG A 365 6.198 12.393 -13.300 1.00 31.71 O ATOM 951 CB ARG A 365 8.519 10.014 -13.580 1.00 36.23 C ATOM 952 CG ARG A 365 8.840 10.619 -12.204 1.00 47.04 C ATOM 953 CD ARG A 365 7.878 10.193 -11.108 1.00 55.64 C ATOM 954 NE ARG A 365 8.059 10.993 -9.897 1.00 64.34 N ATOM 955 CZ ARG A 365 7.558 10.678 -8.708 1.00 78.83 C ATOM 956 NH1 ARG A 365 7.776 11.461 -7.662 1.00 57.69 N ATOM 957 NH2 ARG A 365 6.839 9.572 -8.553 1.00 75.14 N ATOM 958 HE ARG A 365 8.617 11.867 -9.972 1.00 0.00 H ATOM 959 HH12 ARG A 365 7.381 11.210 -6.733 1.00 0.00 H ATOM 960 HH11 ARG A 365 8.342 12.327 -7.770 1.00 0.00 H ATOM 961 HH22 ARG A 365 6.450 9.331 -7.619 1.00 0.00 H ATOM 962 HH21 ARG A 365 6.665 8.947 -9.366 1.00 0.00 H ATOM 963 H ARG A 365 7.781 9.289 -15.931 1.00 0.00 H ATOM 964 N ALA A 366 7.476 12.573 -15.178 1.00 35.83 N ATOM 965 CA ALA A 366 7.330 14.014 -15.356 1.00 36.21 C ATOM 966 C ALA A 366 5.862 14.387 -15.588 1.00 36.49 C ATOM 967 O ALA A 366 5.379 15.301 -14.924 1.00 34.92 O ATOM 968 CB ALA A 366 8.209 14.503 -16.503 1.00 39.39 C ATOM 969 H ALA A 366 8.060 12.052 -15.863 1.00 0.00 H ATOM 970 N GLN A 367 5.135 13.637 -16.464 1.00 33.56 N ATOM 971 CA GLN A 367 3.704 13.837 -16.739 1.00 31.42 C ATOM 972 C GLN A 367 2.879 13.559 -15.475 1.00 28.68 C ATOM 973 O GLN A 367 1.926 14.290 -15.196 1.00 28.34 O ATOM 974 CB GLN A 367 3.198 12.885 -17.833 1.00 33.35 C ATOM 975 CG GLN A 367 3.443 13.343 -19.265 1.00 50.70 C ATOM 976 CD GLN A 367 2.486 12.651 -20.217 1.00 62.87 C ATOM 977 OE1 GLN A 367 2.441 11.417 -20.319 1.00 58.09 O ATOM 978 NE2 GLN A 367 1.688 13.430 -20.928 1.00 46.72 N ATOM 979 HE22 GLN A 367 1.744 14.463 -20.826 1.00 0.00 H ATOM 980 HE21 GLN A 367 1.005 13.009 -21.589 1.00 0.00 H ATOM 981 H GLN A 367 5.625 12.873 -16.972 1.00 0.00 H ATOM 982 N TRP A 368 3.241 12.486 -14.733 1.00 24.81 N ATOM 983 CA TRP A 368 2.552 12.096 -13.496 1.00 22.41 C ATOM 984 C TRP A 368 2.718 13.183 -12.439 1.00 21.87 C ATOM 985 O TRP A 368 1.738 13.552 -11.798 1.00 20.07 O ATOM 986 CB TRP A 368 3.114 10.773 -12.998 1.00 21.80 C ATOM 987 CG TRP A 368 2.374 10.168 -11.841 1.00 20.73 C ATOM 988 CD1 TRP A 368 1.306 9.318 -11.915 1.00 21.87 C ATOM 989 CD2 TRP A 368 2.693 10.295 -10.452 1.00 20.42 C ATOM 990 NE1 TRP A 368 0.936 8.914 -10.658 1.00 20.49 N ATOM 991 CE2 TRP A 368 1.794 9.471 -9.740 1.00 21.83 C ATOM 992 CE3 TRP A 368 3.699 10.976 -9.739 1.00 22.62 C ATOM 993 CZ2 TRP A 368 1.819 9.366 -8.343 1.00 22.16 C ATOM 994 CZ3 TRP A 368 3.732 10.862 -8.355 1.00 23.86 C ATOM 995 CH2 TRP A 368 2.811 10.058 -7.674 1.00 23.51 C ATOM 996 HE1 TRP A 368 0.136 8.288 -10.435 1.00 0.00 H ATOM 997 H TRP A 368 4.045 11.910 -15.054 1.00 0.00 H ATOM 998 N ASP A 369 3.951 13.738 -12.281 1.00 21.20 N ATOM 999 CA ASP A 369 4.187 14.789 -11.313 1.00 21.82 C ATOM 1000 C ASP A 369 3.327 16.026 -11.627 1.00 24.42 C ATOM 1001 O ASP A 369 2.808 16.655 -10.698 1.00 23.55 O ATOM 1002 CB ASP A 369 5.674 15.169 -11.264 1.00 24.26 C ATOM 1003 CG ASP A 369 6.568 14.156 -10.558 1.00 28.43 C ATOM 1004 OD1 ASP A 369 6.037 13.297 -9.820 1.00 27.14 O ATOM 1005 OD2 ASP A 369 7.799 14.226 -10.738 1.00 32.13 O ATOM 1006 H ASP A 369 4.740 13.400 -12.868 1.00 0.00 H ATOM 1007 N ILE A 370 3.157 16.344 -12.939 1.00 23.04 N ATOM 1008 CA ILE A 370 2.322 17.455 -13.401 1.00 23.83 C ATOM 1009 C ILE A 370 0.865 17.172 -13.001 1.00 21.89 C ATOM 1010 O ILE A 370 0.200 18.039 -12.445 1.00 21.65 O ATOM 1011 CB ILE A 370 2.467 17.681 -14.935 1.00 29.24 C ATOM 1012 CG1 ILE A 370 3.837 18.310 -15.270 1.00 32.13 C ATOM 1013 CG2 ILE A 370 1.341 18.569 -15.486 1.00 31.44 C ATOM 1014 CD1 ILE A 370 4.354 17.977 -16.710 1.00 41.69 C ATOM 1015 H ILE A 370 3.647 15.767 -13.652 1.00 0.00 H ATOM 1016 N GLY A 371 0.396 15.962 -13.275 1.00 19.79 N ATOM 1017 CA GLY A 371 -0.971 15.604 -12.917 1.00 17.45 C ATOM 1018 C GLY A 371 -1.208 15.688 -11.420 1.00 18.58 C ATOM 1019 O GLY A 371 -2.243 16.180 -10.983 1.00 18.02 O ATOM 1020 H GLY A 371 1.007 15.265 -13.748 1.00 0.00 H ATOM 1021 N ILE A 372 -0.233 15.192 -10.627 1.00 18.21 N ATOM 1022 CA ILE A 372 -0.335 15.245 -9.171 1.00 17.58 C ATOM 1023 C ILE A 372 -0.393 16.675 -8.676 1.00 20.10 C ATOM 1024 O ILE A 372 -1.172 16.962 -7.766 1.00 20.94 O ATOM 1025 CB ILE A 372 0.801 14.440 -8.529 1.00 20.41 C ATOM 1026 CG1 ILE A 372 0.592 12.930 -8.742 1.00 21.12 C ATOM 1027 CG2 ILE A 372 1.018 14.816 -7.052 1.00 22.78 C ATOM 1028 CD1 ILE A 372 -0.495 12.288 -7.868 1.00 21.53 C ATOM 1029 H ILE A 372 0.608 14.763 -11.063 1.00 0.00 H ATOM 1030 N ALA A 373 0.404 17.579 -9.276 1.00 18.75 N ATOM 1031 CA ALA A 373 0.351 18.983 -8.857 1.00 18.98 C ATOM 1032 C ALA A 373 -1.047 19.561 -9.067 1.00 20.34 C ATOM 1033 O ALA A 373 -1.555 20.276 -8.210 1.00 21.70 O ATOM 1034 CB ALA A 373 1.376 19.814 -9.614 1.00 21.46 C ATOM 1035 H ALA A 373 1.054 17.283 -10.032 1.00 0.00 H ATOM 1036 N HIS A 374 -1.697 19.208 -10.187 1.00 18.20 N ATOM 1037 CA HIS A 374 -3.065 19.674 -10.404 1.00 17.99 C ATOM 1038 C HIS A 374 -4.013 19.043 -9.374 1.00 19.19 C ATOM 1039 O HIS A 374 -4.889 19.737 -8.853 1.00 19.51 O ATOM 1040 CB HIS A 374 -3.543 19.357 -11.808 1.00 18.04 C ATOM 1041 CG HIS A 374 -2.906 20.190 -12.869 1.00 21.23 C ATOM 1042 ND1 HIS A 374 -3.218 21.529 -13.015 1.00 24.46 N ATOM 1043 CD2 HIS A 374 -2.089 19.812 -13.879 1.00 24.52 C ATOM 1044 CE1 HIS A 374 -2.509 21.950 -14.056 1.00 25.82 C ATOM 1045 NE2 HIS A 374 -1.831 20.953 -14.620 1.00 25.80 N ATOM 1046 H HIS A 374 -1.230 18.607 -10.896 1.00 0.00 H ATOM 1047 N ALA A 375 -3.877 17.721 -9.129 1.00 17.62 N ATOM 1048 CA ALA A 375 -4.766 17.065 -8.173 1.00 18.00 C ATOM 1049 C ALA A 375 -4.627 17.629 -6.773 1.00 20.88 C ATOM 1050 O ALA A 375 -5.625 17.773 -6.073 1.00 20.53 O ATOM 1051 CB ALA A 375 -4.494 15.577 -8.147 1.00 18.05 C ATOM 1052 H ALA A 375 -3.142 17.172 -9.619 1.00 0.00 H ATOM 1053 N GLU A 376 -3.402 17.982 -6.365 1.00 18.77 N ATOM 1054 CA GLU A 376 -3.152 18.573 -5.053 1.00 20.70 C ATOM 1055 C GLU A 376 -3.807 19.945 -4.939 1.00 25.45 C ATOM 1056 O GLU A 376 -4.341 20.284 -3.878 1.00 26.91 O ATOM 1057 CB GLU A 376 -1.660 18.599 -4.763 1.00 22.43 C ATOM 1058 CG GLU A 376 -1.125 17.191 -4.503 1.00 25.00 C ATOM 1059 CD GLU A 376 -1.670 16.509 -3.258 1.00 30.60 C ATOM 1060 OE1 GLU A 376 -1.634 17.125 -2.166 1.00 29.70 O ATOM 1061 OE2 GLU A 376 -2.111 15.343 -3.372 1.00 26.03 O ATOM 1062 H GLU A 376 -2.598 17.830 -7.007 1.00 0.00 H ATOM 1063 N LYS A 377 -3.839 20.707 -6.050 1.00 21.19 N ATOM 1064 CA LYS A 377 -4.520 22.006 -6.074 1.00 23.14 C ATOM 1065 C LYS A 377 -6.040 21.763 -6.005 1.00 24.04 C ATOM 1066 O LYS A 377 -6.735 22.430 -5.220 1.00 24.11 O ATOM 1067 CB LYS A 377 -4.159 22.780 -7.348 1.00 26.78 C ATOM 1068 CG LYS A 377 -2.750 23.328 -7.334 1.00 42.03 C ATOM 1069 CD LYS A 377 -2.655 24.687 -7.996 1.00 56.92 C ATOM 1070 CE LYS A 377 -1.388 25.394 -7.572 1.00 75.96 C ATOM 1071 NZ LYS A 377 -1.231 26.709 -8.250 1.00 89.65 N ATOM 1072 HZ1 LYS A 377 -1.195 26.565 -9.279 1.00 0.00 H ATOM 1073 HZ2 LYS A 377 -2.039 27.319 -8.013 1.00 0.00 H ATOM 1074 HZ3 LYS A 377 -0.350 27.159 -7.930 1.00 0.00 H ATOM 1075 H LYS A 377 -3.369 20.365 -6.912 1.00 0.00 H ATOM 1076 N ALA A 378 -6.554 20.806 -6.808 1.00 20.12 N ATOM 1077 CA ALA A 378 -7.965 20.447 -6.807 1.00 20.31 C ATOM 1078 C ALA A 378 -8.448 19.986 -5.424 1.00 23.28 C ATOM 1079 O ALA A 378 -9.593 20.246 -5.076 1.00 23.18 O ATOM 1080 CB ALA A 378 -8.232 19.370 -7.837 1.00 19.90 C ATOM 1081 H ALA A 378 -5.914 20.304 -7.455 1.00 0.00 H ATOM 1082 N LEU A 379 -7.596 19.276 -4.664 1.00 23.38 N ATOM 1083 CA LEU A 379 -7.936 18.793 -3.324 1.00 26.97 C ATOM 1084 C LEU A 379 -8.290 19.970 -2.407 1.00 30.30 C ATOM 1085 O LEU A 379 -9.089 19.806 -1.477 1.00 31.88 O ATOM 1086 CB LEU A 379 -6.716 18.088 -2.728 1.00 29.45 C ATOM 1087 CG LEU A 379 -6.751 16.590 -2.454 1.00 34.99 C ATOM 1088 CD1 LEU A 379 -5.590 16.214 -1.541 1.00 35.83 C ATOM 1089 CD2 LEU A 379 -8.072 16.132 -1.811 1.00 33.68 C ATOM 1090 H LEU A 379 -6.653 19.060 -5.045 1.00 0.00 H ATOM 1091 N LYS A 380 -7.694 21.149 -2.669 1.00 26.25 N ATOM 1092 CA LYS A 380 -7.912 22.365 -1.871 1.00 28.56 C ATOM 1093 C LYS A 380 -9.150 23.171 -2.288 1.00 32.30 C ATOM 1094 O LYS A 380 -9.521 24.142 -1.622 1.00 33.54 O ATOM 1095 CB LYS A 380 -6.654 23.250 -1.865 1.00 30.85 C ATOM 1096 CG LYS A 380 -5.448 22.591 -1.211 1.00 35.96 C ATOM 1097 CD LYS A 380 -4.196 23.420 -1.411 1.00 44.10 C ATOM 1098 CE LYS A 380 -2.972 22.658 -0.967 1.00 60.63 C ATOM 1099 NZ LYS A 380 -1.722 23.370 -1.334 1.00 75.91 N ATOM 1100 HZ1 LYS A 380 -1.681 23.486 -2.367 1.00 0.00 H ATOM 1101 HZ2 LYS A 380 -1.711 24.305 -0.879 1.00 0.00 H ATOM 1102 HZ3 LYS A 380 -0.902 22.817 -1.013 1.00 0.00 H ATOM 1103 H LYS A 380 -7.044 21.202 -3.479 1.00 0.00 H ATOM 1104 N MET A 381 -9.803 22.754 -3.367 1.00 27.45 N ATOM 1105 CA MET A 381 -10.987 23.406 -3.885 1.00 26.80 C ATOM 1106 C MET A 381 -12.240 22.666 -3.430 1.00 30.96 C ATOM 1107 O MET A 381 -12.169 21.492 -3.033 1.00 29.58 O ATOM 1108 CB MET A 381 -10.975 23.317 -5.428 1.00 27.01 C ATOM 1109 CG MET A 381 -9.833 24.023 -6.081 1.00 29.18 C ATOM 1110 SD MET A 381 -9.976 23.846 -7.856 1.00 31.76 S ATOM 1111 CE MET A 381 -8.401 24.465 -8.312 1.00 29.61 C ATOM 1112 H MET A 381 -9.445 21.915 -3.866 1.00 0.00 H ATOM 1113 N THR A 382 -13.402 23.331 -3.528 1.00 29.34 N ATOM 1114 CA THR A 382 -14.670 22.648 -3.272 1.00 29.66 C ATOM 1115 C THR A 382 -15.027 21.865 -4.553 1.00 31.22 C ATOM 1116 O THR A 382 -14.413 22.088 -5.608 1.00 27.92 O ATOM 1117 CB THR A 382 -15.780 23.621 -2.811 1.00 41.31 C ATOM 1118 OG1 THR A 382 -16.999 22.898 -2.668 1.00 42.05 O ATOM 1119 CG2 THR A 382 -16.018 24.765 -3.773 1.00 40.97 C ATOM 1120 HG1 THR A 382 -16.880 22.183 -1.994 1.00 0.00 H ATOM 1121 H THR A 382 -13.401 24.338 -3.788 1.00 0.00 H ATOM 1122 N ARG A 383 -16.003 20.944 -4.463 1.00 28.53 N ATOM 1123 CA ARG A 383 -16.448 20.156 -5.615 1.00 27.07 C ATOM 1124 C ARG A 383 -16.936 21.093 -6.748 1.00 28.90 C ATOM 1125 O ARG A 383 -16.518 20.925 -7.892 1.00 24.68 O ATOM 1126 CB ARG A 383 -17.534 19.149 -5.208 1.00 31.33 C ATOM 1127 CG ARG A 383 -17.821 18.147 -6.322 1.00 35.90 C ATOM 1128 CD ARG A 383 -18.605 16.928 -5.881 1.00 46.31 C ATOM 1129 NE ARG A 383 -19.975 17.268 -5.492 1.00 41.98 N ATOM 1130 CZ ARG A 383 -21.076 17.028 -6.210 1.00 52.17 C ATOM 1131 NH1 ARG A 383 -22.268 17.376 -5.742 1.00 37.06 N ATOM 1132 NH2 ARG A 383 -20.994 16.425 -7.395 1.00 34.75 N ATOM 1133 HE ARG A 383 -20.103 17.739 -4.574 1.00 0.00 H ATOM 1134 HH12 ARG A 383 -23.123 17.187 -6.304 1.00 0.00 H ATOM 1135 HH11 ARG A 383 -22.348 17.837 -4.813 1.00 0.00 H ATOM 1136 HH22 ARG A 383 -21.857 16.243 -7.946 1.00 0.00 H ATOM 1137 HH21 ARG A 383 -20.067 16.137 -7.769 1.00 0.00 H ATOM 1138 H ARG A 383 -16.459 20.785 -3.542 1.00 0.00 H ATOM 1139 N GLU A 384 -17.715 22.137 -6.414 1.00 28.13 N ATOM 1140 CA GLU A 384 -18.173 23.100 -7.421 1.00 28.55 C ATOM 1141 C GLU A 384 -16.990 23.851 -8.039 1.00 29.46 C ATOM 1142 O GLU A 384 -16.978 24.052 -9.249 1.00 28.37 O ATOM 1143 CB GLU A 384 -19.212 24.100 -6.849 1.00 32.59 C ATOM 1144 CG GLU A 384 -20.539 23.457 -6.487 1.00 43.17 C ATOM 1145 CD GLU A 384 -21.633 24.385 -5.985 1.00 67.04 C ATOM 1146 OE1 GLU A 384 -21.330 25.306 -5.192 1.00 59.98 O ATOM 1147 OE2 GLU A 384 -22.807 24.159 -6.355 1.00 59.52 O ATOM 1148 H GLU A 384 -17.998 22.264 -5.421 1.00 0.00 H ATOM 1149 N GLU A 385 -15.974 24.234 -7.231 1.00 26.68 N ATOM 1150 CA GLU A 385 -14.810 24.916 -7.789 1.00 26.67 C ATOM 1151 C GLU A 385 -14.055 24.016 -8.716 1.00 27.45 C ATOM 1152 O GLU A 385 -13.588 24.488 -9.750 1.00 27.17 O ATOM 1153 CB GLU A 385 -13.851 25.389 -6.702 1.00 28.76 C ATOM 1154 CG GLU A 385 -14.218 26.741 -6.124 1.00 35.91 C ATOM 1155 CD GLU A 385 -13.468 27.110 -4.859 1.00 47.29 C ATOM 1156 OE1 GLU A 385 -13.494 28.307 -4.492 1.00 44.56 O ATOM 1157 OE2 GLU A 385 -12.882 26.207 -4.218 1.00 34.69 O ATOM 1158 H GLU A 385 -16.023 24.042 -6.210 1.00 0.00 H ATOM 1159 N ARG A 386 -13.903 22.719 -8.347 1.00 23.65 N ATOM 1160 CA ARG A 386 -13.184 21.753 -9.185 1.00 21.44 C ATOM 1161 C ARG A 386 -13.903 21.564 -10.506 1.00 21.80 C ATOM 1162 O ARG A 386 -13.263 21.538 -11.547 1.00 20.35 O ATOM 1163 CB ARG A 386 -13.082 20.366 -8.524 1.00 23.81 C ATOM 1164 CG ARG A 386 -12.092 20.322 -7.414 1.00 29.55 C ATOM 1165 CD ARG A 386 -11.797 18.891 -7.053 1.00 33.90 C ATOM 1166 NE ARG A 386 -12.911 18.216 -6.405 1.00 40.30 N ATOM 1167 CZ ARG A 386 -13.059 18.091 -5.094 1.00 52.42 C ATOM 1168 NH1 ARG A 386 -14.094 17.428 -4.601 1.00 42.05 N ATOM 1169 NH2 ARG A 386 -12.180 18.642 -4.262 1.00 44.39 N ATOM 1170 HE ARG A 386 -13.644 17.801 -7.015 1.00 0.00 H ATOM 1171 HH12 ARG A 386 -14.207 17.332 -3.572 1.00 0.00 H ATOM 1172 HH11 ARG A 386 -14.793 17.004 -5.243 1.00 0.00 H ATOM 1173 HH22 ARG A 386 -12.302 18.540 -3.234 1.00 0.00 H ATOM 1174 HH21 ARG A 386 -11.370 19.175 -4.639 1.00 0.00 H ATOM 1175 H ARG A 386 -14.308 22.400 -7.444 1.00 0.00 H ATOM 1176 N ILE A 387 -15.246 21.411 -10.455 1.00 19.41 N ATOM 1177 CA ILE A 387 -16.037 21.240 -11.680 1.00 19.14 C ATOM 1178 C ILE A 387 -15.827 22.448 -12.587 1.00 23.14 C ATOM 1179 O ILE A 387 -15.567 22.285 -13.778 1.00 21.81 O ATOM 1180 CB ILE A 387 -17.518 20.984 -11.329 1.00 21.63 C ATOM 1181 CG1 ILE A 387 -17.643 19.598 -10.668 1.00 22.05 C ATOM 1182 CG2 ILE A 387 -18.404 21.058 -12.575 1.00 22.77 C ATOM 1183 CD1 ILE A 387 -19.028 19.343 -9.947 1.00 23.68 C ATOM 1184 H ILE A 387 -15.726 21.415 -9.533 1.00 0.00 H ATOM 1185 N GLU A 388 -15.871 23.643 -12.015 1.00 21.67 N ATOM 1186 CA GLU A 388 -15.676 24.865 -12.788 1.00 23.60 C ATOM 1187 C GLU A 388 -14.266 24.951 -13.376 1.00 25.42 C ATOM 1188 O GLU A 388 -14.111 25.302 -14.544 1.00 26.33 O ATOM 1189 CB GLU A 388 -15.953 26.095 -11.890 1.00 26.80 C ATOM 1190 CG GLU A 388 -15.635 27.457 -12.506 1.00 40.04 C ATOM 1191 CD GLU A 388 -16.628 28.034 -13.497 1.00 68.13 C ATOM 1192 OE1 GLU A 388 -17.847 27.795 -13.336 1.00 58.34 O ATOM 1193 OE2 GLU A 388 -16.188 28.760 -14.417 1.00 68.79 O ATOM 1194 H GLU A 388 -16.048 23.711 -10.993 1.00 0.00 H ATOM 1195 N GLN A 389 -13.238 24.652 -12.566 1.00 22.76 N ATOM 1196 CA GLN A 389 -11.874 24.840 -12.996 1.00 23.48 C ATOM 1197 C GLN A 389 -11.392 23.825 -13.993 1.00 25.92 C ATOM 1198 O GLN A 389 -10.521 24.146 -14.806 1.00 24.80 O ATOM 1199 CB GLN A 389 -10.971 24.742 -11.757 1.00 25.47 C ATOM 1200 CG GLN A 389 -9.469 24.967 -12.002 1.00 29.67 C ATOM 1201 CD GLN A 389 -9.039 26.352 -11.611 1.00 43.00 C ATOM 1202 OE1 GLN A 389 -9.860 27.205 -11.265 1.00 36.39 O ATOM 1203 NE2 GLN A 389 -7.738 26.590 -11.634 1.00 42.30 N ATOM 1204 HE22 GLN A 389 -7.078 25.844 -11.932 1.00 0.00 H ATOM 1205 HE21 GLN A 389 -7.375 27.524 -11.354 1.00 0.00 H ATOM 1206 H GLN A 389 -13.428 24.279 -11.614 1.00 0.00 H ATOM 1207 N TYR A 390 -11.880 22.572 -13.881 1.00 20.15 N ATOM 1208 CA TYR A 390 -11.266 21.506 -14.648 1.00 19.38 C ATOM 1209 C TYR A 390 -12.110 20.797 -15.669 1.00 21.85 C ATOM 1210 O TYR A 390 -11.511 20.096 -16.481 1.00 21.36 O ATOM 1211 CB TYR A 390 -10.683 20.421 -13.686 1.00 19.46 C ATOM 1212 CG TYR A 390 -9.586 20.932 -12.779 1.00 20.11 C ATOM 1213 CD1 TYR A 390 -8.324 21.231 -13.280 1.00 21.87 C ATOM 1214 CD2 TYR A 390 -9.817 21.132 -11.423 1.00 21.81 C ATOM 1215 CE1 TYR A 390 -7.324 21.747 -12.446 1.00 21.19 C ATOM 1216 CE2 TYR A 390 -8.827 21.629 -10.584 1.00 23.96 C ATOM 1217 CZ TYR A 390 -7.581 21.921 -11.098 1.00 24.12 C ATOM 1218 OH TYR A 390 -6.629 22.413 -10.238 1.00 28.64 O ATOM 1219 HH TYR A 390 -5.789 22.577 -10.736 1.00 0.00 H ATOM 1220 H TYR A 390 -12.685 22.374 -13.253 1.00 0.00 H ATOM 1221 N THR A 391 -13.462 20.913 -15.637 1.00 18.41 N ATOM 1222 CA THR A 391 -14.235 20.146 -16.590 1.00 18.06 C ATOM 1223 C THR A 391 -13.833 20.483 -18.007 1.00 21.05 C ATOM 1224 O THR A 391 -13.842 21.662 -18.398 1.00 21.02 O ATOM 1225 CB THR A 391 -15.734 20.310 -16.381 1.00 19.27 C ATOM 1226 OG1 THR A 391 -16.054 19.957 -15.031 1.00 20.66 O ATOM 1227 CG2 THR A 391 -16.521 19.437 -17.330 1.00 19.44 C ATOM 1228 HG1 THR A 391 -15.562 20.551 -14.410 1.00 0.00 H ATOM 1229 H THR A 391 -13.929 21.535 -14.947 1.00 0.00 H ATOM 1230 N PHE A 392 -13.499 19.447 -18.799 1.00 18.85 N ATOM 1231 CA PHE A 392 -13.064 19.702 -20.159 1.00 19.77 C ATOM 1232 C PHE A 392 -14.154 20.258 -21.040 1.00 23.40 C ATOM 1233 O PHE A 392 -15.347 20.002 -20.825 1.00 21.83 O ATOM 1234 CB PHE A 392 -12.531 18.424 -20.819 1.00 19.85 C ATOM 1235 CG PHE A 392 -11.349 17.749 -20.178 1.00 19.73 C ATOM 1236 CD1 PHE A 392 -10.353 18.495 -19.547 1.00 23.27 C ATOM 1237 CD2 PHE A 392 -11.177 16.374 -20.289 1.00 20.20 C ATOM 1238 CE1 PHE A 392 -9.232 17.866 -18.991 1.00 23.63 C ATOM 1239 CE2 PHE A 392 -10.047 15.755 -19.746 1.00 21.63 C ATOM 1240 CZ PHE A 392 -9.099 16.501 -19.084 1.00 21.14 C ATOM 1241 H PHE A 392 -13.552 18.473 -18.439 1.00 0.00 H ATOM 1242 N ILE A 393 -13.714 20.975 -22.087 1.00 23.22 N ATOM 1243 CA ILE A 393 -14.527 21.474 -23.166 1.00 24.01 C ATOM 1244 C ILE A 393 -14.218 20.515 -24.311 1.00 26.89 C ATOM 1245 O ILE A 393 -13.040 20.257 -24.613 1.00 29.22 O ATOM 1246 CB ILE A 393 -14.162 22.934 -23.519 1.00 28.61 C ATOM 1247 CG1 ILE A 393 -14.346 23.848 -22.295 1.00 29.56 C ATOM 1248 CG2 ILE A 393 -14.964 23.428 -24.746 1.00 31.47 C ATOM 1249 CD1 ILE A 393 -13.661 25.254 -22.406 1.00 40.29 C ATOM 1250 H ILE A 393 -12.697 21.189 -22.122 1.00 0.00 H ATOM 1251 N TYR A 394 -15.253 19.958 -24.905 1.00 24.87 N ATOM 1252 CA TYR A 394 -15.110 19.010 -25.996 1.00 25.29 C ATOM 1253 C TYR A 394 -15.574 19.637 -27.283 1.00 32.20 C ATOM 1254 O TYR A 394 -16.683 20.189 -27.356 1.00 32.24 O ATOM 1255 CB TYR A 394 -15.907 17.737 -25.712 1.00 25.25 C ATOM 1256 CG TYR A 394 -15.376 16.944 -24.540 1.00 25.05 C ATOM 1257 CD1 TYR A 394 -14.324 16.045 -24.700 1.00 26.31 C ATOM 1258 CD2 TYR A 394 -15.894 17.125 -23.259 1.00 24.33 C ATOM 1259 CE1 TYR A 394 -13.838 15.305 -23.623 1.00 24.00 C ATOM 1260 CE2 TYR A 394 -15.431 16.377 -22.184 1.00 23.18 C ATOM 1261 CZ TYR A 394 -14.402 15.474 -22.367 1.00 25.05 C ATOM 1262 OH TYR A 394 -13.957 14.747 -21.286 1.00 23.33 O ATOM 1263 HH TYR A 394 -13.626 15.366 -20.587 1.00 0.00 H ATOM 1264 H TYR A 394 -16.209 20.206 -24.580 1.00 0.00 H ATOM 1265 N ILE A 395 -14.732 19.553 -28.315 1.00 30.94 N ATOM 1266 CA ILE A 395 -15.039 20.148 -29.620 1.00 32.72 C ATOM 1267 C ILE A 395 -15.088 19.045 -30.671 1.00 37.93 C ATOM 1268 O ILE A 395 -14.105 18.315 -30.813 1.00 37.63 O ATOM 1269 CB ILE A 395 -14.006 21.251 -29.977 1.00 36.45 C ATOM 1270 CG1 ILE A 395 -13.861 22.285 -28.840 1.00 37.29 C ATOM 1271 CG2 ILE A 395 -14.406 21.940 -31.286 1.00 37.41 C ATOM 1272 CD1 ILE A 395 -12.436 22.686 -28.536 1.00 49.99 C ATOM 1273 H ILE A 395 -13.830 19.050 -28.190 1.00 0.00 H ATOM 1274 N ASP A 396 -16.211 18.933 -31.408 1.00 36.65 N ATOM 1275 CA ASP A 396 -16.403 17.950 -32.483 1.00 55.04 C ATOM 1276 C ASP A 396 -15.456 18.219 -33.655 1.00 81.19 C ATOM 1277 O ASP A 396 -15.024 19.355 -33.850 1.00 46.58 O ATOM 1278 CB ASP A 396 -17.861 17.956 -32.981 1.00 57.69 C ATOM 1279 CG ASP A 396 -18.901 17.559 -31.945 1.00 64.35 C ATOM 1280 OD1 ASP A 396 -18.694 16.536 -31.253 1.00 60.91 O ATOM 1281 OD2 ASP A 396 -19.954 18.232 -31.874 1.00 71.49 O ATOM 1282 H ASP A 396 -16.994 19.586 -31.202 1.00 0.00 H TER 1283 ASP A 396 HETATM 1284 O HOH 1 -24.718 -5.590 -13.635 1.00 39.64 O HETATM 1285 O HOH 2 -4.421 23.269 -11.358 1.00 31.58 O HETATM 1286 O HOH 3 -16.904 20.414 -1.779 1.00 47.65 O HETATM 1287 O HOH 4 -9.194 10.673 -24.218 1.00 21.37 O HETATM 1288 O HOH 5 -10.114 6.705 -23.427 1.00 33.94 O HETATM 1289 O HOH 6 -18.203 26.110 -15.359 1.00 40.79 O HETATM 1290 O HOH 7 -17.637 16.419 -18.876 1.00 23.12 O HETATM 1291 O HOH 8 8.814 16.146 -12.285 1.00 38.30 O HETATM 1292 O HOH 9 -10.703 13.255 -1.524 1.00 38.54 O HETATM 1293 O HOH 10 -5.398 15.819 -25.483 1.00 32.64 O HETATM 1294 O HOH 11 -25.787 5.084 -15.967 1.00 40.37 O HETATM 1295 O HOH 12 -18.605 1.507 -7.376 1.00 40.14 O HETATM 1296 O HOH 13 -15.139 15.317 -18.950 1.00 18.09 O HETATM 1297 O HOH 14 -10.296 2.347 -19.009 1.00 35.97 O HETATM 1298 O HOH 15 -13.958 1.766 -6.509 1.00 48.77 O HETATM 1299 O HOH 16 -0.047 22.138 -16.268 1.00 45.62 O HETATM 1300 O HOH 17 -1.746 15.580 0.050 1.00 30.65 O HETATM 1301 O HOH 18 14.923 -11.376 -5.246 1.00 40.64 O HETATM 1302 O HOH 19 -1.156 -1.458 -7.604 1.00 36.29 O HETATM 1303 O HOH 20 -17.059 1.117 -21.665 1.00 43.14 O HETATM 1304 O HOH 21 5.039 2.858 -14.946 1.00 53.30 O HETATM 1305 O HOH 22 -23.692 12.752 -14.762 1.00 42.90 O HETATM 1306 O HOH 23 7.181 1.446 -8.825 1.00 32.84 O HETATM 1307 O HOH 24 -15.926 25.268 -16.567 1.00 40.27 O HETATM 1308 O HOH 25 -4.335 13.704 -26.779 1.00 39.74 O HETATM 1309 O HOH 26 -8.478 23.489 -16.483 1.00 32.06 O HETATM 1310 O HOH 27 -13.658 -1.843 -18.079 1.00 46.71 O HETATM 1311 O HOH 28 11.030 12.425 -14.430 1.00 49.36 O HETATM 1312 O HOH 29 -19.815 -3.952 -11.222 1.00 40.64 O HETATM 1313 O HOH 30 3.968 2.597 -17.478 1.00 47.78 O HETATM 1314 O HOH 31 0.042 21.645 -6.470 1.00 33.21 O HETATM 1315 O HOH 32 -4.044 15.057 1.393 1.00 34.12 O HETATM 1316 O HOH 33 -3.276 19.220 -1.545 1.00 31.19 O HETATM 1317 O HOH 34 -21.315 -1.184 -8.044 1.00 59.76 O HETATM 1318 O HOH 35 -5.704 17.190 -17.672 1.00 23.38 O HETATM 1319 O HOH 36 -7.091 11.525 -27.496 1.00 44.35 O HETATM 1320 O HOH 37 -16.827 17.448 -14.239 1.00 27.44 O HETATM 1321 O HOH 38 -15.867 23.495 -18.658 1.00 26.81 O HETATM 1322 O HOH 39 -17.368 21.824 -20.409 1.00 29.39 O HETATM 1323 O HOH 40 -3.687 4.831 -15.117 1.00 19.73 O HETATM 1324 O HOH 41 3.446 9.779 -4.016 1.00 40.33 O HETATM 1325 O HOH 42 -22.810 24.336 -9.114 1.00 42.18 O HETATM 1326 O HOH 43 -13.336 11.053 -4.211 1.00 32.12 O HETATM 1327 O HOH 44 -8.928 20.739 -17.261 1.00 24.02 O HETATM 1328 O HOH 45 -3.996 9.450 -26.632 1.00 55.40 O HETATM 1329 O HOH 46 -23.471 -0.913 -21.677 1.00 43.45 O HETATM 1330 O HOH 47 -18.897 7.020 -24.545 1.00 43.10 O HETATM 1331 O HOH 48 -7.836 14.073 1.985 1.00 48.87 O HETATM 1332 O HOH 49 0.511 18.870 -1.728 1.00 40.59 O HETATM 1333 O HOH 50 3.793 16.824 -8.078 1.00 31.12 O HETATM 1334 O HOH 51 -12.852 2.034 -4.046 1.00 50.35 O HETATM 1335 O HOH 52 0.989 2.287 -10.320 1.00 27.25 O HETATM 1336 O HOH 53 -8.822 0.432 -16.574 1.00 41.79 O HETATM 1337 O HOH 54 -16.253 -7.237 -12.897 1.00 44.74 O HETATM 1338 O HOH 55 -17.115 10.751 -25.373 1.00 46.70 O HETATM 1339 O HOH 56 14.796 10.395 -25.289 1.00 52.61 O HETATM 1340 O HOH 57 -12.742 20.877 -34.491 1.00 42.39 O HETATM 1341 O HOH 58 -19.165 19.753 -28.624 1.00 53.98 O HETATM 1342 O HOH 59 7.056 17.340 -13.927 1.00 41.33 O HETATM 1343 O HOH 60 7.212 -6.846 -4.581 1.00 34.80 O HETATM 1344 O HOH 61 -11.897 4.257 -2.887 1.00 31.92 O HETATM 1345 O HOH 62 -21.835 3.082 -23.430 1.00 59.03 O HETATM 1346 O HOH 63 -25.912 3.610 -13.647 1.00 41.95 O HETATM 1347 O HOH 64 -17.733 22.820 -27.363 1.00 41.08 O HETATM 1348 O HOH 65 -11.504 -0.411 -16.933 1.00 29.75 O HETATM 1349 O HOH 66 -16.014 -1.747 -21.227 1.00 38.59 O HETATM 1350 O HOH 67 -19.019 24.937 -11.027 1.00 44.62 O HETATM 1351 O HOH 68 -23.316 16.032 -19.209 1.00 45.27 O HETATM 1352 O HOH 69 -19.367 21.474 -3.387 1.00 45.66 O HETATM 1353 O HOH 70 4.825 14.316 -7.444 1.00 36.81 O HETATM 1354 O HOH 71 -25.949 -0.755 -9.326 1.00 42.41 O HETATM 1355 O HOH 72 -18.772 16.722 -16.116 1.00 22.10 O HETATM 1356 O HOH 73 -7.218 -0.857 -18.754 1.00 37.69 O HETATM 1357 O HOH 74 -12.331 28.359 -12.264 1.00 40.32 O HETATM 1358 O HOH 75 -13.565 0.733 -20.319 1.00 40.97 O HETATM 1359 O HOH 76 -18.240 20.952 -30.889 1.00 50.66 O HETATM 1360 O HOH 77 -19.290 -8.645 -14.790 1.00 46.96 O HETATM 1361 O HOH 78 -13.035 14.076 -4.024 1.00 28.13 O HETATM 1362 O HOH 79 -24.546 9.556 -14.333 1.00 43.01 O HETATM 1363 O HOH 80 8.254 -8.893 -3.121 1.00 50.36 O HETATM 1364 O HOH 81 -1.183 8.594 2.550 1.00 42.86 O HETATM 1365 O HOH 82 -22.690 13.598 -10.102 1.00 27.25 O HETATM 1366 O HOH 83 10.619 2.757 -8.411 1.00 44.02 O HETATM 1367 O HOH 84 -8.940 16.845 -15.112 1.00 20.00 O HETATM 1368 O HOH 85 -17.998 20.433 -23.954 1.00 38.87 O HETATM 1369 O HOH 86 -27.678 1.992 -12.191 1.00 36.30 O HETATM 1370 O HOH 87 -5.798 24.907 -13.078 1.00 32.24 O HETATM 1371 O HOH 88 -11.428 10.770 -25.842 1.00 29.44 O HETATM 1372 O HOH 89 -12.945 4.791 -22.449 1.00 29.16 O HETATM 1373 O HOH 90 6.205 -1.257 -8.437 1.00 33.71 O HETATM 1374 O HOH 91 -15.903 -5.485 -17.383 1.00 43.54 O HETATM 1375 O HOH 92 -4.322 3.854 -21.773 1.00 33.04 O HETATM 1376 O HOH 93 -8.051 8.065 -24.930 1.00 39.24 O HETATM 1377 O HOH 94 1.342 -1.987 -13.263 1.00 49.61 O HETATM 1378 O HOH 95 -2.265 1.995 -22.114 1.00 35.96 O HETATM 1379 O HOH 96 11.274 8.347 -20.568 1.00 52.80 O HETATM 1380 O HOH 97 -0.695 13.009 0.576 1.00 28.91 O HETATM 1381 O HOH 98 8.396 7.470 -20.125 1.00 43.59 O HETATM 1382 O HOH 99 5.298 -3.326 -16.662 1.00 27.60 O HETATM 1383 O HOH 100 7.045 14.270 2.701 1.00 42.24 O HETATM 1384 O HOH 101 -17.368 -4.313 -21.295 1.00 44.99 O HETATM 1385 O HOH 102 -14.715 18.899 -36.953 1.00 40.06 O HETATM 1386 O HOH 103 -19.274 27.584 -5.985 1.00 52.35 O HETATM 1387 O HOH 104 12.309 -10.635 -5.435 1.00 37.81 O HETATM 1388 O HOH 105 -19.148 -1.055 -22.403 1.00 34.94 O HETATM 1389 O HOH 106 -24.303 13.352 -12.236 1.00 47.95 O HETATM 1390 O HOH 107 2.283 0.535 -14.595 1.00 45.52 O HETATM 1391 O HOH 108 1.640 14.062 -24.269 1.00 52.30 O HETATM 1392 O HOH 109 -9.889 27.688 -5.140 1.00 40.95 O HETATM 1393 O HOH 110 -17.669 27.356 -8.320 1.00 42.86 O HETATM 1394 O HOH 111 -11.788 6.795 -25.841 1.00 48.35 O HETATM 1395 O HOH 112 -3.941 -3.378 -19.407 1.00 42.59 O HETATM 1396 O HOH 113 -2.558 10.814 1.339 1.00 44.53 O HETATM 1397 O HOH 114 -26.795 9.493 -25.593 1.00 48.89 O HETATM 1398 O HOH 115 -11.679 15.679 -2.214 1.00 44.14 O HETATM 1399 O HOH 116 -2.867 -0.444 -23.174 1.00 46.88 O HETATM 1400 O HOH 117 4.403 12.681 -5.291 1.00 48.49 O HETATM 1401 O HOH 118 -5.981 23.254 -15.465 1.00 36.67 O HETATM 1402 O HOH 119 1.288 -0.370 -10.702 1.00 50.44 O HETATM 1403 O HOH 120 2.647 18.402 -5.846 1.00 41.98 O HETATM 1404 O HOH 121 -19.967 27.092 -9.769 1.00 38.83 O HETATM 1405 O HOH 122 7.267 -5.074 -15.879 1.00 22.81 O HETATM 1406 O HOH 123 -7.798 29.172 -8.040 1.00 56.78 O HETATM 1407 O HOH 124 -14.755 2.474 -22.828 1.00 44.42 O HETATM 1408 O HOH 125 -8.079 8.220 -27.658 1.00 54.66 O HETATM 1409 O HOH 126 -4.507 -2.256 -22.002 1.00 41.39 O HETATM 1410 C5 EHQ A 127 -5.737 7.350 -21.915 1.00 0.14 C HETATM 1411 C13 EHQ A 127 -6.978 6.747 -21.293 1.00 0.01 C HETATM 1412 H2 EHQ A 127 -7.809 6.796 -22.012 1.00 0.05 H HETATM 1413 H3 EHQ A 127 -7.244 7.309 -20.386 1.00 0.05 H HETATM 1414 H4 EHQ A 127 -6.783 5.697 -21.030 1.00 0.05 H HETATM 1415 C2 EHQ A 127 -4.489 7.483 -21.355 1.00 0.03 C HETATM 1416 C8 EHQ A 127 -3.704 8.065 -22.383 1.00 0.02 C HETATM 1417 C14 EHQ A 127 -2.241 8.422 -22.311 1.00 -0.03 C HETATM 1418 H9 EHQ A 127 -1.922 8.857 -23.270 1.00 0.04 H HETATM 1419 H10 EHQ A 127 -1.652 7.516 -22.105 1.00 0.04 H HETATM 1420 H11 EHQ A 127 -2.081 9.154 -21.506 1.00 0.04 H HETATM 1421 N4 EHQ A 127 -4.502 8.210 -23.398 1.00 -0.17 N HETATM 1422 O6 EHQ A 127 -5.636 7.819 -23.154 1.00 -0.17 O HETATM 1423 C1 EHQ A 127 -4.065 7.068 -20.004 1.00 0.03 C HETATM 1424 N7 EHQ A 127 -4.279 5.828 -19.508 1.00 -0.23 N HETATM 1425 N9 EHQ A 127 -3.780 5.771 -18.215 1.00 -0.22 N HETATM 1426 C10 EHQ A 127 -3.235 6.935 -17.922 1.00 0.06 C HETATM 1427 C3 EHQ A 127 -3.385 7.792 -19.028 1.00 0.01 C HETATM 1428 C11 EHQ A 127 -2.893 9.185 -19.122 1.00 -0.02 C HETATM 1429 C17 EHQ A 127 -1.567 9.470 -18.765 1.00 -0.04 C HETATM 1430 C15 EHQ A 127 -1.087 10.752 -18.955 1.00 0.00 C HETATM 1431 N12 EHQ A 127 -1.874 11.720 -19.416 1.00 -0.31 N HETATM 1432 C16 EHQ A 127 -3.138 11.494 -19.760 1.00 0.00 C HETATM 1433 C18 EHQ A 127 -3.676 10.221 -19.650 1.00 -0.04 C HETATM 1434 H8 EHQ A 127 -4.694 10.028 -19.970 1.00 0.07 H HETATM 1435 H12 EHQ A 127 -3.751 12.309 -20.128 1.00 0.08 H HETATM 1436 H5 EHQ A 127 -0.051 10.972 -18.724 1.00 0.08 H HETATM 1437 H6 EHQ A 127 -0.930 8.699 -18.348 1.00 0.07 H HETATM 1438 H1 EHQ A 127 -2.750 7.191 -16.981 1.00 0.11 H HETATM 1439 H7 EHQ A 127 -3.827 4.955 -17.588 1.00 0.26 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 811 812 822 823 824 CONECT 822 811 CONECT 823 811 CONECT 824 811 CONECT 1410 1411 1415 1422 CONECT 1411 1410 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1410 1416 1423 CONECT 1416 1415 1417 1421 CONECT 1417 1416 1418 1419 1420 CONECT 1418 1417 CONECT 1419 1417 CONECT 1420 1417 CONECT 1421 1416 1422 CONECT 1422 1410 1421 CONECT 1423 1415 1424 1427 CONECT 1424 1423 1425 CONECT 1425 1424 1426 1439 CONECT 1426 1425 1427 1438 CONECT 1427 1423 1426 1428 CONECT 1428 1427 1429 1433 CONECT 1429 1428 1430 1437 CONECT 1430 1429 1431 1436 CONECT 1431 1430 1432 CONECT 1432 1431 1433 1435 CONECT 1433 1428 1432 1434 CONECT 1434 1433 CONECT 1435 1432 CONECT 1436 1430 CONECT 1437 1429 CONECT 1438 1426 CONECT 1439 1425 MASTER 0 0 0 0 0 0 0 0 1437 2 38 10 END
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Related entries of code: 6g25
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
136aa, >6G2O_1|Chain... at 100%
6g2f
RCSB PDB
PDBbind
136aa, >6G2F_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%
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
6g25
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHQ
EC.Number
E.C.2.1.1.43
Resolution
1.43(Å)
Affinity (Kd/Ki/IC50)
Kd=300uM
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
3
H
1
2
N
4
O
Molecular Weight
240.261
Exact Mass
240.101
No. of atoms
30
No. of bonds
32
Polar Surface Area
67.6
LOGP Value
1.68 (
Computed with XLOGP3
)
2.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Cc1onc(c1c1n[nH]cc1c1ccncc1)C
InChI String
InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)
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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