Browse entries in the PDBbind-CN Database
HEADER 6G29_COMPLEX COMPND 6G29_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 77 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 77 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 77 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 77 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 77 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU SEQRES 1 A 44 LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA GLN SEQRES 2 A 44 TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU LYS SEQRES 3 A 44 MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE ILE SEQRES 4 A 44 TYR ILE ASP LYS GLN HET EHK A 230 41 ATOM 1 N VAL A 266 -23.263 2.430 -7.427 1.00 47.40 N ATOM 2 CA VAL A 266 -22.548 3.683 -7.737 1.00 44.57 C ATOM 3 C VAL A 266 -21.891 4.251 -6.458 1.00 48.57 C ATOM 4 O VAL A 266 -22.602 4.712 -5.563 1.00 52.21 O ATOM 5 CB VAL A 266 -23.467 4.746 -8.410 1.00 48.23 C ATOM 6 CG1 VAL A 266 -22.647 5.905 -8.978 1.00 45.05 C ATOM 7 CG2 VAL A 266 -24.360 4.132 -9.486 1.00 49.53 C ATOM 8 HN3 VAL A 266 -24.001 2.619 -6.719 1.00 0.00 H ATOM 9 HN2 VAL A 266 -22.590 1.732 -7.050 1.00 0.00 H ATOM 10 HN1 VAL A 266 -23.700 2.058 -8.294 1.00 0.00 H ATOM 11 N LYS A 267 -20.549 4.230 -6.390 1.00 41.26 N ATOM 12 CA LYS A 267 -19.749 4.719 -5.257 1.00 40.17 C ATOM 13 C LYS A 267 -19.092 6.091 -5.539 1.00 39.19 C ATOM 14 O LYS A 267 -18.602 6.741 -4.610 1.00 38.47 O ATOM 15 CB LYS A 267 -18.646 3.702 -4.908 1.00 43.01 C ATOM 16 CG LYS A 267 -19.152 2.409 -4.273 1.00 60.92 C ATOM 17 CD LYS A 267 -18.020 1.400 -4.115 1.00 72.58 C ATOM 18 CE LYS A 267 -18.429 0.199 -3.298 1.00 88.40 C ATOM 19 NZ LYS A 267 -17.254 -0.642 -2.941 1.00 98.16 N ATOM 20 HZ1 LYS A 267 -16.791 -0.976 -3.810 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -16.581 -0.077 -2.384 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -17.571 -1.458 -2.380 1.00 0.00 H ATOM 23 H LYS A 267 -20.035 3.836 -7.204 1.00 0.00 H ATOM 24 N PHE A 268 -19.033 6.501 -6.809 1.00 32.33 N ATOM 25 CA PHE A 268 -18.408 7.780 -7.178 1.00 29.38 C ATOM 26 C PHE A 268 -19.345 8.704 -7.921 1.00 32.37 C ATOM 27 O PHE A 268 -20.218 8.231 -8.644 1.00 32.82 O ATOM 28 CB PHE A 268 -17.103 7.573 -7.964 1.00 28.65 C ATOM 29 CG PHE A 268 -16.061 6.785 -7.206 1.00 29.98 C ATOM 30 CD1 PHE A 268 -15.375 7.355 -6.134 1.00 31.60 C ATOM 31 CD2 PHE A 268 -15.789 5.462 -7.537 1.00 32.38 C ATOM 32 CE1 PHE A 268 -14.410 6.621 -5.430 1.00 32.35 C ATOM 33 CE2 PHE A 268 -14.836 4.726 -6.818 1.00 34.71 C ATOM 34 CZ PHE A 268 -14.154 5.314 -5.773 1.00 32.20 C ATOM 35 H PHE A 268 -19.439 5.901 -7.555 1.00 0.00 H ATOM 36 N GLN A 269 -19.184 10.026 -7.718 1.00 28.97 N ATOM 37 CA GLN A 269 -20.029 11.031 -8.378 1.00 28.37 C ATOM 38 C GLN A 269 -19.153 12.010 -9.145 1.00 28.34 C ATOM 39 O GLN A 269 -17.929 12.006 -8.982 1.00 26.66 O ATOM 40 CB GLN A 269 -20.955 11.770 -7.384 1.00 30.99 C ATOM 41 CG GLN A 269 -21.918 10.869 -6.568 1.00 46.67 C ATOM 42 CD GLN A 269 -22.911 10.045 -7.375 1.00 63.29 C ATOM 43 OE1 GLN A 269 -23.465 10.483 -8.394 1.00 53.01 O ATOM 44 NE2 GLN A 269 -23.177 8.829 -6.912 1.00 57.46 N ATOM 45 HE22 GLN A 269 -22.700 8.483 -6.055 1.00 0.00 H ATOM 46 HE21 GLN A 269 -23.862 8.223 -7.406 1.00 0.00 H ATOM 47 H GLN A 269 -18.435 10.347 -7.071 1.00 0.00 H ATOM 48 N VAL A 270 -19.766 12.821 -10.019 1.00 24.90 N ATOM 49 CA VAL A 270 -19.025 13.799 -10.828 1.00 23.49 C ATOM 50 C VAL A 270 -18.253 14.719 -9.876 1.00 26.79 C ATOM 51 O VAL A 270 -18.805 15.128 -8.854 1.00 27.23 O ATOM 52 CB VAL A 270 -20.006 14.595 -11.751 1.00 26.44 C ATOM 53 CG1 VAL A 270 -19.334 15.818 -12.367 1.00 25.76 C ATOM 54 CG2 VAL A 270 -20.568 13.693 -12.851 1.00 25.95 C ATOM 55 H VAL A 270 -20.798 12.756 -10.128 1.00 0.00 H ATOM 56 N GLY A 271 -16.993 14.994 -10.193 1.00 22.16 N ATOM 57 CA GLY A 271 -16.157 15.865 -9.375 1.00 22.70 C ATOM 58 C GLY A 271 -15.325 15.151 -8.326 1.00 24.38 C ATOM 59 O GLY A 271 -14.401 15.752 -7.775 1.00 24.20 O ATOM 60 H GLY A 271 -16.589 14.574 -11.054 1.00 0.00 H ATOM 61 N ASP A 272 -15.621 13.860 -8.056 1.00 22.06 N ATOM 62 CA ASP A 272 -14.825 13.057 -7.107 1.00 21.55 C ATOM 63 C ASP A 272 -13.429 12.833 -7.672 1.00 25.89 C ATOM 64 O ASP A 272 -13.278 12.599 -8.880 1.00 23.36 O ATOM 65 CB ASP A 272 -15.479 11.683 -6.863 1.00 23.82 C ATOM 66 CG ASP A 272 -16.660 11.693 -5.904 1.00 32.28 C ATOM 67 OD1 ASP A 272 -16.987 12.765 -5.380 1.00 34.88 O ATOM 68 OD2 ASP A 272 -17.249 10.621 -5.680 1.00 35.32 O ATOM 69 H ASP A 272 -16.434 13.419 -8.531 1.00 0.00 H ATOM 70 N LEU A 273 -12.416 12.899 -6.788 1.00 22.36 N ATOM 71 CA LEU A 273 -11.030 12.652 -7.167 1.00 21.25 C ATOM 72 C LEU A 273 -10.748 11.173 -6.937 1.00 22.85 C ATOM 73 O LEU A 273 -11.065 10.630 -5.865 1.00 22.04 O ATOM 74 CB LEU A 273 -10.074 13.521 -6.334 1.00 22.31 C ATOM 75 CG LEU A 273 -10.213 15.037 -6.533 1.00 26.39 C ATOM 76 CD1 LEU A 273 -9.243 15.784 -5.627 1.00 28.16 C ATOM 77 CD2 LEU A 273 -9.967 15.426 -8.000 1.00 26.24 C ATOM 78 H LEU A 273 -12.630 13.135 -5.798 1.00 0.00 H ATOM 79 N VAL A 274 -10.168 10.520 -7.959 1.00 19.84 N ATOM 80 CA VAL A 274 -9.848 9.095 -7.918 1.00 19.25 C ATOM 81 C VAL A 274 -8.499 8.806 -8.556 1.00 22.38 C ATOM 82 O VAL A 274 -7.993 9.615 -9.326 1.00 22.19 O ATOM 83 CB VAL A 274 -10.949 8.224 -8.602 1.00 22.25 C ATOM 84 CG1 VAL A 274 -12.315 8.385 -7.937 1.00 22.66 C ATOM 85 CG2 VAL A 274 -11.034 8.473 -10.116 1.00 21.05 C ATOM 86 H VAL A 274 -9.936 11.055 -8.820 1.00 0.00 H ATOM 87 N TRP A 275 -7.923 7.650 -8.229 1.00 20.20 N ATOM 88 CA TRP A 275 -6.755 7.115 -8.895 1.00 19.96 C ATOM 89 C TRP A 275 -7.352 6.081 -9.857 1.00 21.90 C ATOM 90 O TRP A 275 -8.267 5.346 -9.456 1.00 22.48 O ATOM 91 CB TRP A 275 -5.879 6.342 -7.910 1.00 20.39 C ATOM 92 CG TRP A 275 -5.153 7.160 -6.896 1.00 21.71 C ATOM 93 CD1 TRP A 275 -5.488 7.314 -5.579 1.00 25.38 C ATOM 94 CD2 TRP A 275 -3.845 7.722 -7.049 1.00 21.58 C ATOM 95 NE1 TRP A 275 -4.486 7.982 -4.912 1.00 24.60 N ATOM 96 CE2 TRP A 275 -3.458 8.234 -5.788 1.00 25.83 C ATOM 97 CE3 TRP A 275 -2.938 7.805 -8.123 1.00 22.63 C ATOM 98 CZ2 TRP A 275 -2.229 8.870 -5.584 1.00 25.29 C ATOM 99 CZ3 TRP A 275 -1.721 8.450 -7.921 1.00 23.46 C ATOM 100 CH2 TRP A 275 -1.372 8.955 -6.660 1.00 25.17 C ATOM 101 HE1 TRP A 275 -4.504 8.252 -3.908 1.00 0.00 H ATOM 102 H TRP A 275 -8.337 7.100 -7.449 1.00 0.00 H ATOM 103 N SER A 276 -6.826 5.975 -11.087 1.00 19.73 N ATOM 104 CA SER A 276 -7.283 4.950 -12.048 1.00 19.06 C ATOM 105 C SER A 276 -6.054 4.213 -12.549 1.00 23.42 C ATOM 106 O SER A 276 -5.067 4.863 -12.884 1.00 22.74 O ATOM 107 CB SER A 276 -7.978 5.580 -13.254 1.00 22.88 C ATOM 108 OG SER A 276 -9.079 6.374 -12.844 1.00 25.68 O ATOM 109 HG SER A 276 -9.513 6.771 -13.640 1.00 0.00 H ATOM 110 H SER A 276 -6.074 6.634 -11.372 1.00 0.00 H ATOM 111 N LYS A 277 -6.146 2.874 -12.675 1.00 22.72 N ATOM 112 CA LYS A 277 -5.051 2.040 -13.188 1.00 22.87 C ATOM 113 C LYS A 277 -5.539 1.489 -14.519 1.00 27.21 C ATOM 114 O LYS A 277 -6.448 0.657 -14.539 1.00 26.11 O ATOM 115 CB LYS A 277 -4.718 0.921 -12.184 1.00 26.96 C ATOM 116 CG LYS A 277 -3.568 0.007 -12.581 1.00 33.13 C ATOM 117 CD LYS A 277 -2.201 0.622 -12.365 1.00 35.26 C ATOM 118 CE LYS A 277 -1.111 -0.379 -12.718 1.00 36.47 C ATOM 119 NZ LYS A 277 -0.973 -0.541 -14.199 1.00 42.57 N ATOM 120 HZ1 LYS A 277 -1.873 -0.881 -14.595 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -0.729 0.376 -14.626 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.221 -1.230 -14.403 1.00 0.00 H ATOM 123 H LYS A 277 -7.034 2.410 -12.396 1.00 0.00 H ATOM 124 N VAL A 278 -4.996 2.009 -15.625 1.00 24.75 N ATOM 125 CA VAL A 278 -5.452 1.633 -16.974 1.00 25.90 C ATOM 126 C VAL A 278 -4.300 1.106 -17.813 1.00 29.92 C ATOM 127 O VAL A 278 -3.281 1.778 -17.929 1.00 27.14 O ATOM 128 CB VAL A 278 -6.159 2.820 -17.700 1.00 30.04 C ATOM 129 CG1 VAL A 278 -6.832 2.359 -18.991 1.00 31.85 C ATOM 130 CG2 VAL A 278 -7.166 3.538 -16.799 1.00 29.13 C ATOM 131 H VAL A 278 -4.226 2.702 -15.529 1.00 0.00 H ATOM 132 N GLY A 279 -4.507 -0.056 -18.436 1.00 28.62 N ATOM 133 CA GLY A 279 -3.556 -0.694 -19.339 1.00 28.74 C ATOM 134 C GLY A 279 -2.123 -0.702 -18.864 1.00 30.37 C ATOM 135 O GLY A 279 -1.841 -1.224 -17.789 1.00 30.88 O ATOM 136 H GLY A 279 -5.411 -0.541 -18.265 1.00 0.00 H ATOM 137 N THR A 280 -1.216 -0.064 -19.632 1.00 26.14 N ATOM 138 CA THR A 280 0.210 -0.037 -19.299 1.00 25.42 C ATOM 139 C THR A 280 0.609 1.124 -18.378 1.00 27.00 C ATOM 140 O THR A 280 1.771 1.237 -18.005 1.00 26.56 O ATOM 141 CB THR A 280 1.060 -0.003 -20.584 1.00 35.05 C ATOM 142 OG1 THR A 280 0.827 1.227 -21.273 1.00 33.13 O ATOM 143 CG2 THR A 280 0.805 -1.181 -21.495 1.00 31.77 C ATOM 144 HG1 THR A 280 1.080 1.985 -20.688 1.00 0.00 H ATOM 145 H THR A 280 -1.540 0.426 -20.490 1.00 0.00 H ATOM 146 N TYR A 281 -0.344 1.998 -18.034 1.00 22.89 N ATOM 147 CA TYR A 281 -0.046 3.188 -17.245 1.00 21.71 C ATOM 148 C TYR A 281 -0.034 2.920 -15.743 1.00 24.65 C ATOM 149 O TYR A 281 -0.773 2.049 -15.279 1.00 23.34 O ATOM 150 CB TYR A 281 -1.080 4.275 -17.563 1.00 21.47 C ATOM 151 CG TYR A 281 -0.976 4.766 -18.987 1.00 24.12 C ATOM 152 CD1 TYR A 281 -0.109 5.800 -19.325 1.00 27.15 C ATOM 153 CD2 TYR A 281 -1.728 4.180 -20.005 1.00 25.22 C ATOM 154 CE1 TYR A 281 0.003 6.248 -20.640 1.00 31.54 C ATOM 155 CE2 TYR A 281 -1.646 4.639 -21.318 1.00 27.28 C ATOM 156 CZ TYR A 281 -0.773 5.669 -21.632 1.00 35.04 C ATOM 157 OH TYR A 281 -0.672 6.118 -22.928 1.00 36.54 O ATOM 158 HH TYR A 281 -0.382 5.373 -23.512 1.00 0.00 H ATOM 159 H TYR A 281 -1.323 1.824 -18.337 1.00 0.00 H ATOM 160 N PRO A 282 0.740 3.700 -14.954 1.00 22.59 N ATOM 161 CA PRO A 282 0.706 3.516 -13.489 1.00 22.32 C ATOM 162 C PRO A 282 -0.584 4.108 -12.912 1.00 24.34 C ATOM 163 O PRO A 282 -1.298 4.836 -13.625 1.00 21.52 O ATOM 164 CB PRO A 282 1.914 4.338 -13.021 1.00 24.69 C ATOM 165 CG PRO A 282 1.982 5.462 -14.007 1.00 27.81 C ATOM 166 CD PRO A 282 1.647 4.806 -15.331 1.00 23.83 C ATOM 167 N TRP A 283 -0.872 3.851 -11.616 1.00 21.76 N ATOM 168 CA TRP A 283 -2.032 4.479 -10.964 1.00 20.95 C ATOM 169 C TRP A 283 -1.935 5.982 -11.237 1.00 22.52 C ATOM 170 O TRP A 283 -0.869 6.583 -11.055 1.00 20.83 O ATOM 171 CB TRP A 283 -1.988 4.231 -9.467 1.00 21.41 C ATOM 172 CG TRP A 283 -2.369 2.830 -9.112 1.00 23.23 C ATOM 173 CD1 TRP A 283 -1.524 1.795 -8.824 1.00 27.37 C ATOM 174 CD2 TRP A 283 -3.700 2.317 -8.977 1.00 23.38 C ATOM 175 NE1 TRP A 283 -2.253 0.659 -8.536 1.00 28.24 N ATOM 176 CE2 TRP A 283 -3.590 0.953 -8.622 1.00 28.41 C ATOM 177 CE3 TRP A 283 -4.980 2.878 -9.123 1.00 24.31 C ATOM 178 CZ2 TRP A 283 -4.715 0.145 -8.387 1.00 28.57 C ATOM 179 CZ3 TRP A 283 -6.092 2.076 -8.903 1.00 26.78 C ATOM 180 CH2 TRP A 283 -5.954 0.732 -8.521 1.00 28.71 C ATOM 181 HE1 TRP A 283 -1.853 -0.270 -8.293 1.00 0.00 H ATOM 182 H TRP A 283 -0.267 3.202 -11.074 1.00 0.00 H ATOM 183 N TRP A 284 -3.024 6.558 -11.766 1.00 19.67 N ATOM 184 CA TRP A 284 -3.019 7.934 -12.236 1.00 19.23 C ATOM 185 C TRP A 284 -4.082 8.812 -11.585 1.00 20.21 C ATOM 186 O TRP A 284 -5.224 8.375 -11.491 1.00 20.36 O ATOM 187 CB TRP A 284 -3.229 7.932 -13.766 1.00 18.35 C ATOM 188 CG TRP A 284 -2.616 9.117 -14.441 1.00 19.13 C ATOM 189 CD1 TRP A 284 -3.148 10.367 -14.570 1.00 21.70 C ATOM 190 CD2 TRP A 284 -1.326 9.162 -15.058 1.00 19.92 C ATOM 191 NE1 TRP A 284 -2.228 11.214 -15.160 1.00 22.52 N ATOM 192 CE2 TRP A 284 -1.118 10.487 -15.508 1.00 24.17 C ATOM 193 CE3 TRP A 284 -0.332 8.194 -15.303 1.00 22.14 C ATOM 194 CZ2 TRP A 284 0.052 10.877 -16.171 1.00 24.84 C ATOM 195 CZ3 TRP A 284 0.828 8.580 -15.958 1.00 24.36 C ATOM 196 CH2 TRP A 284 1.010 9.905 -16.388 1.00 25.27 C ATOM 197 HE1 TRP A 284 -2.356 12.234 -15.315 1.00 0.00 H ATOM 198 H TRP A 284 -3.900 6.003 -11.843 1.00 0.00 H ATOM 199 N PRO A 285 -3.739 10.063 -11.205 1.00 18.09 N ATOM 200 CA PRO A 285 -4.751 10.973 -10.612 1.00 17.65 C ATOM 201 C PRO A 285 -5.801 11.418 -11.640 1.00 20.42 C ATOM 202 O PRO A 285 -5.464 11.869 -12.735 1.00 19.20 O ATOM 203 CB PRO A 285 -3.906 12.162 -10.123 1.00 19.33 C ATOM 204 CG PRO A 285 -2.720 12.163 -11.037 1.00 23.11 C ATOM 205 CD PRO A 285 -2.402 10.709 -11.245 1.00 19.32 C ATOM 206 N CYS A 286 -7.086 11.284 -11.263 1.00 17.76 N ATOM 207 CA CYS A 286 -8.245 11.585 -12.117 1.00 17.80 C ATOM 208 C CYS A 286 -9.316 12.373 -11.401 1.00 19.98 C ATOM 209 O CYS A 286 -9.386 12.373 -10.172 1.00 19.25 O ATOM 210 CB CYS A 286 -8.857 10.287 -12.635 1.00 17.84 C ATOM 211 SG CYS A 286 -7.719 9.232 -13.556 1.00 20.99 S ATOM 212 H CYS A 286 -7.273 10.943 -10.298 1.00 0.00 H ATOM 213 N MET A 287 -10.273 12.867 -12.204 1.00 17.87 N ATOM 214 CA MET A 287 -11.523 13.442 -11.706 1.00 16.47 C ATOM 215 C MET A 287 -12.651 12.737 -12.456 1.00 20.20 C ATOM 216 O MET A 287 -12.609 12.640 -13.696 1.00 18.71 O ATOM 217 CB MET A 287 -11.606 14.955 -11.931 1.00 18.25 C ATOM 218 CG MET A 287 -12.875 15.528 -11.301 1.00 21.13 C ATOM 219 SD MET A 287 -13.149 17.284 -11.540 1.00 23.95 S ATOM 220 CE MET A 287 -13.486 17.354 -13.292 1.00 20.87 C ATOM 221 H MET A 287 -10.118 12.839 -13.232 1.00 0.00 H ATOM 222 N VAL A 288 -13.658 12.244 -11.712 1.00 18.38 N ATOM 223 CA VAL A 288 -14.830 11.608 -12.320 1.00 18.65 C ATOM 224 C VAL A 288 -15.653 12.707 -13.028 1.00 21.87 C ATOM 225 O VAL A 288 -15.827 13.810 -12.502 1.00 20.95 O ATOM 226 CB VAL A 288 -15.659 10.842 -11.245 1.00 23.14 C ATOM 227 CG1 VAL A 288 -16.918 10.215 -11.856 1.00 23.72 C ATOM 228 CG2 VAL A 288 -14.801 9.766 -10.559 1.00 23.51 C ATOM 229 H VAL A 288 -13.603 12.316 -10.676 1.00 0.00 H ATOM 230 N SER A 289 -16.130 12.407 -14.237 1.00 18.79 N ATOM 231 CA SER A 289 -16.890 13.373 -15.015 1.00 18.13 C ATOM 232 C SER A 289 -17.934 12.658 -15.847 1.00 22.98 C ATOM 233 O SER A 289 -17.838 11.457 -16.084 1.00 22.25 O ATOM 234 CB SER A 289 -15.947 14.147 -15.935 1.00 18.96 C ATOM 235 OG SER A 289 -15.425 13.326 -16.971 1.00 20.81 O ATOM 236 HG SER A 289 -14.821 13.863 -17.543 1.00 0.00 H ATOM 237 H SER A 289 -15.955 11.461 -14.632 1.00 0.00 H ATOM 238 N SER A 290 -18.893 13.424 -16.355 1.00 21.70 N ATOM 239 CA SER A 290 -19.907 12.887 -17.231 1.00 22.38 C ATOM 240 C SER A 290 -19.333 12.730 -18.660 1.00 27.33 C ATOM 241 O SER A 290 -18.640 13.628 -19.156 1.00 27.54 O ATOM 242 CB SER A 290 -21.121 13.802 -17.213 1.00 28.41 C ATOM 243 OG SER A 290 -22.089 13.357 -18.144 1.00 40.82 O ATOM 244 HG SER A 290 -22.872 13.963 -18.120 1.00 0.00 H ATOM 245 H SER A 290 -18.914 14.436 -16.116 1.00 0.00 H ATOM 246 N ASP A 291 -19.567 11.570 -19.290 1.00 24.71 N ATOM 247 CA ASP A 291 -19.136 11.341 -20.668 1.00 25.37 C ATOM 248 C ASP A 291 -19.871 12.376 -21.552 1.00 33.33 C ATOM 249 O ASP A 291 -21.078 12.565 -21.388 1.00 35.10 O ATOM 250 CB ASP A 291 -19.465 9.901 -21.118 1.00 27.39 C ATOM 251 CG ASP A 291 -19.061 9.599 -22.554 1.00 33.26 C ATOM 252 OD1 ASP A 291 -19.672 10.162 -23.465 1.00 36.48 O ATOM 253 OD2 ASP A 291 -18.143 8.791 -22.753 1.00 38.45 O ATOM 254 H ASP A 291 -20.069 10.812 -18.785 1.00 0.00 H ATOM 255 N PRO A 292 -19.152 13.078 -22.451 1.00 33.82 N ATOM 256 CA PRO A 292 -19.798 14.124 -23.274 1.00 36.43 C ATOM 257 C PRO A 292 -20.912 13.644 -24.205 1.00 43.92 C ATOM 258 O PRO A 292 -21.787 14.438 -24.550 1.00 46.50 O ATOM 259 CB PRO A 292 -18.630 14.708 -24.075 1.00 38.01 C ATOM 260 CG PRO A 292 -17.605 13.609 -24.112 1.00 41.15 C ATOM 261 CD PRO A 292 -17.706 12.983 -22.747 1.00 35.17 C ATOM 262 N GLN A 293 -20.879 12.356 -24.604 1.00 40.30 N ATOM 263 CA GLN A 293 -21.850 11.730 -25.510 1.00 41.97 C ATOM 264 C GLN A 293 -22.958 10.960 -24.777 1.00 45.18 C ATOM 265 O GLN A 293 -24.135 11.078 -25.140 1.00 46.70 O ATOM 266 CB GLN A 293 -21.124 10.788 -26.496 1.00 43.98 C ATOM 267 CG GLN A 293 -20.457 11.491 -27.682 1.00 68.80 C ATOM 268 CD GLN A 293 -19.125 12.118 -27.348 1.00 91.03 C ATOM 269 OE1 GLN A 293 -19.002 13.340 -27.236 1.00 87.04 O ATOM 270 NE2 GLN A 293 -18.096 11.296 -27.188 1.00 85.70 N ATOM 271 HE22 GLN A 293 -18.230 10.270 -27.289 1.00 0.00 H ATOM 272 HE21 GLN A 293 -17.155 11.678 -26.962 1.00 0.00 H ATOM 273 H GLN A 293 -20.107 11.761 -24.242 1.00 0.00 H ATOM 274 N LEU A 294 -22.589 10.156 -23.765 1.00 38.32 N ATOM 275 CA LEU A 294 -23.573 9.354 -23.034 1.00 38.06 C ATOM 276 C LEU A 294 -24.303 10.140 -21.947 1.00 39.93 C ATOM 277 O LEU A 294 -25.378 9.718 -21.513 1.00 40.37 O ATOM 278 CB LEU A 294 -22.938 8.065 -22.480 1.00 37.22 C ATOM 279 CG LEU A 294 -22.425 7.070 -23.539 1.00 42.29 C ATOM 280 CD1 LEU A 294 -21.519 6.027 -22.917 1.00 41.84 C ATOM 281 CD2 LEU A 294 -23.586 6.400 -24.301 1.00 47.27 C ATOM 282 H LEU A 294 -21.586 10.102 -23.496 1.00 0.00 H ATOM 283 N GLU A 295 -23.718 11.287 -21.519 1.00 34.28 N ATOM 284 CA GLU A 295 -24.240 12.204 -20.496 1.00 33.76 C ATOM 285 C GLU A 295 -24.459 11.502 -19.141 1.00 36.12 C ATOM 286 O GLU A 295 -25.369 11.844 -18.376 1.00 36.86 O ATOM 287 CB GLU A 295 -25.494 12.965 -20.988 1.00 37.26 C ATOM 288 CG GLU A 295 -25.269 13.744 -22.279 1.00 48.53 C ATOM 289 CD GLU A 295 -26.428 14.601 -22.758 1.00 68.67 C ATOM 290 OE1 GLU A 295 -27.557 14.073 -22.891 1.00 52.96 O ATOM 291 OE2 GLU A 295 -26.196 15.803 -23.025 1.00 61.75 O ATOM 292 H GLU A 295 -22.811 11.542 -21.958 1.00 0.00 H ATOM 293 N VAL A 296 -23.593 10.515 -18.852 1.00 30.28 N ATOM 294 CA VAL A 296 -23.551 9.755 -17.606 1.00 29.51 C ATOM 295 C VAL A 296 -22.084 9.648 -17.185 1.00 28.80 C ATOM 296 O VAL A 296 -21.182 9.633 -18.049 1.00 26.64 O ATOM 297 CB VAL A 296 -24.203 8.338 -17.681 1.00 34.94 C ATOM 298 CG1 VAL A 296 -25.726 8.404 -17.791 1.00 37.38 C ATOM 299 CG2 VAL A 296 -23.597 7.492 -18.799 1.00 34.73 C ATOM 300 H VAL A 296 -22.891 10.271 -19.580 1.00 0.00 H ATOM 301 N HIS A 297 -21.839 9.564 -15.869 1.00 24.69 N ATOM 302 CA HIS A 297 -20.465 9.418 -15.357 1.00 22.71 C ATOM 303 C HIS A 297 -20.163 7.946 -14.979 1.00 27.36 C ATOM 304 O HIS A 297 -19.048 7.602 -14.573 1.00 26.27 O ATOM 305 CB HIS A 297 -20.252 10.333 -14.145 1.00 23.45 C ATOM 306 CG HIS A 297 -20.956 9.855 -12.918 1.00 27.80 C ATOM 307 ND1 HIS A 297 -22.315 10.029 -12.757 1.00 31.48 N ATOM 308 CD2 HIS A 297 -20.468 9.183 -11.849 1.00 29.71 C ATOM 309 CE1 HIS A 297 -22.609 9.485 -11.586 1.00 32.29 C ATOM 310 NE2 HIS A 297 -21.528 8.955 -11.009 1.00 31.38 N ATOM 311 H HIS A 297 -22.633 9.603 -15.198 1.00 0.00 H ATOM 312 N THR A 298 -21.185 7.101 -15.059 1.00 26.62 N ATOM 313 CA THR A 298 -21.070 5.690 -14.726 1.00 26.62 C ATOM 314 C THR A 298 -21.991 4.885 -15.641 1.00 28.95 C ATOM 315 O THR A 298 -23.010 5.404 -16.111 1.00 27.76 O ATOM 316 CB THR A 298 -21.355 5.440 -13.218 1.00 31.96 C ATOM 317 OG1 THR A 298 -20.989 4.103 -12.887 1.00 29.82 O ATOM 318 CG2 THR A 298 -22.824 5.679 -12.822 1.00 33.67 C ATOM 319 HG1 THR A 298 -20.025 3.971 -13.070 1.00 0.00 H ATOM 320 H THR A 298 -22.107 7.464 -15.373 1.00 0.00 H ATOM 321 N LYS A 299 -21.614 3.636 -15.909 1.00 25.48 N ATOM 322 CA LYS A 299 -22.426 2.738 -16.740 1.00 28.00 C ATOM 323 C LYS A 299 -22.078 1.291 -16.457 1.00 31.56 C ATOM 324 O LYS A 299 -21.039 0.993 -15.861 1.00 30.27 O ATOM 325 CB LYS A 299 -22.211 3.041 -18.253 1.00 30.17 C ATOM 326 CG LYS A 299 -20.886 2.547 -18.808 1.00 34.79 C ATOM 327 CD LYS A 299 -20.701 2.880 -20.259 1.00 36.80 C ATOM 328 CE LYS A 299 -19.444 2.222 -20.751 1.00 39.25 C ATOM 329 NZ LYS A 299 -18.982 2.824 -22.026 1.00 48.38 N ATOM 330 HZ1 LYS A 299 -19.720 2.710 -22.749 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -18.791 3.836 -21.881 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.112 2.347 -22.338 1.00 0.00 H ATOM 333 H LYS A 299 -20.716 3.286 -15.517 1.00 0.00 H ATOM 334 N ILE A 300 -22.929 0.395 -16.944 1.00 30.39 N ATOM 335 CA ILE A 300 -22.672 -1.026 -16.905 1.00 30.23 C ATOM 336 C ILE A 300 -22.162 -1.346 -18.320 1.00 35.62 C ATOM 337 O ILE A 300 -22.827 -1.000 -19.305 1.00 36.21 O ATOM 338 CB ILE A 300 -23.952 -1.796 -16.495 1.00 35.58 C ATOM 339 CG1 ILE A 300 -24.431 -1.367 -15.074 1.00 36.67 C ATOM 340 CG2 ILE A 300 -23.759 -3.302 -16.600 1.00 36.34 C ATOM 341 CD1 ILE A 300 -23.423 -1.575 -13.879 1.00 43.82 C ATOM 342 H ILE A 300 -23.816 0.730 -17.371 1.00 0.00 H ATOM 343 N ASN A 301 -20.968 -1.959 -18.407 1.00 32.54 N ATOM 344 CA ASN A 301 -20.328 -2.303 -19.684 1.00 33.12 C ATOM 345 C ASN A 301 -20.927 -3.567 -20.350 1.00 38.85 C ATOM 346 O ASN A 301 -21.830 -4.216 -19.794 1.00 37.27 O ATOM 347 CB ASN A 301 -18.775 -2.387 -19.524 1.00 29.71 C ATOM 348 CG ASN A 301 -18.237 -3.567 -18.737 1.00 44.01 C ATOM 349 OD1 ASN A 301 -18.927 -4.553 -18.452 1.00 37.09 O ATOM 350 ND2 ASN A 301 -16.964 -3.506 -18.388 1.00 32.76 N ATOM 351 HD22 ASN A 301 -16.397 -2.670 -18.635 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.529 -4.294 -17.866 1.00 0.00 H ATOM 353 H ASN A 301 -20.473 -2.202 -17.525 1.00 0.00 H ATOM 354 N THR A 302 -20.408 -3.925 -21.550 1.00 37.92 N ATOM 355 CA THR A 302 -20.876 -5.077 -22.336 1.00 40.97 C ATOM 356 C THR A 302 -20.652 -6.434 -21.641 1.00 44.48 C ATOM 357 O THR A 302 -21.257 -7.430 -22.044 1.00 45.39 O ATOM 358 CB THR A 302 -20.297 -5.060 -23.752 1.00 53.17 C ATOM 359 OG1 THR A 302 -18.875 -5.051 -23.676 1.00 49.68 O ATOM 360 CG2 THR A 302 -20.800 -3.875 -24.572 1.00 54.11 C ATOM 361 HG1 THR A 302 -18.497 -5.040 -24.591 1.00 0.00 H ATOM 362 H THR A 302 -19.633 -3.351 -21.938 1.00 0.00 H ATOM 363 N ARG A 303 -19.823 -6.460 -20.584 1.00 38.79 N ATOM 364 CA ARG A 303 -19.581 -7.667 -19.791 1.00 40.59 C ATOM 365 C ARG A 303 -20.413 -7.661 -18.488 1.00 44.41 C ATOM 366 O ARG A 303 -20.363 -8.619 -17.717 1.00 46.49 O ATOM 367 CB ARG A 303 -18.078 -7.859 -19.525 1.00 41.18 C ATOM 368 CG ARG A 303 -17.339 -8.467 -20.714 1.00 55.89 C ATOM 369 CD ARG A 303 -15.854 -8.602 -20.440 1.00 72.68 C ATOM 370 NE ARG A 303 -15.097 -8.873 -21.663 1.00 91.09 N ATOM 371 CZ ARG A 303 -13.778 -8.741 -21.776 1.00110.88 C ATOM 372 NH1 ARG A 303 -13.052 -8.335 -20.741 1.00101.15 N ATOM 373 NH2 ARG A 303 -13.175 -9.005 -22.928 1.00 99.63 N ATOM 374 HE ARG A 303 -15.626 -9.190 -22.500 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.021 -8.234 -20.836 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.514 -8.118 -19.835 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.144 -8.900 -23.011 1.00 0.00 H ATOM 378 HH21 ARG A 303 -13.734 -9.317 -23.748 1.00 0.00 H ATOM 379 H ARG A 303 -19.331 -5.583 -20.317 1.00 0.00 H ATOM 380 N GLY A 304 -21.192 -6.598 -18.283 1.00 39.28 N ATOM 381 CA GLY A 304 -22.064 -6.450 -17.122 1.00 40.82 C ATOM 382 C GLY A 304 -21.384 -5.919 -15.874 1.00 44.56 C ATOM 383 O GLY A 304 -21.927 -6.053 -14.773 1.00 46.11 O ATOM 384 H GLY A 304 -21.177 -5.834 -18.988 1.00 0.00 H ATOM 385 N ALA A 305 -20.201 -5.306 -16.039 1.00 38.54 N ATOM 386 CA ALA A 305 -19.424 -4.729 -14.946 1.00 37.05 C ATOM 387 C ALA A 305 -19.557 -3.207 -14.915 1.00 37.44 C ATOM 388 O ALA A 305 -19.685 -2.580 -15.974 1.00 35.90 O ATOM 389 CB ALA A 305 -17.959 -5.114 -15.086 1.00 37.03 C ATOM 390 H ALA A 305 -19.815 -5.238 -17.002 1.00 0.00 H ATOM 391 N ARG A 306 -19.494 -2.608 -13.711 1.00 31.92 N ATOM 392 CA ARG A 306 -19.582 -1.149 -13.607 1.00 30.73 C ATOM 393 C ARG A 306 -18.292 -0.460 -14.003 1.00 30.56 C ATOM 394 O ARG A 306 -17.198 -0.897 -13.633 1.00 29.94 O ATOM 395 CB ARG A 306 -20.026 -0.673 -12.208 1.00 33.26 C ATOM 396 CG ARG A 306 -20.213 0.859 -12.143 1.00 34.91 C ATOM 397 CD ARG A 306 -20.931 1.377 -10.911 1.00 38.52 C ATOM 398 NE ARG A 306 -22.275 0.814 -10.758 1.00 37.37 N ATOM 399 CZ ARG A 306 -23.353 1.226 -11.420 1.00 48.73 C ATOM 400 NH1 ARG A 306 -24.527 0.646 -11.211 1.00 41.57 N ATOM 401 NH2 ARG A 306 -23.267 2.222 -12.293 1.00 34.88 N ATOM 402 HE ARG A 306 -22.395 0.034 -10.081 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.367 0.971 -11.730 1.00 0.00 H ATOM 404 HH11 ARG A 306 -24.607 -0.134 -10.528 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.114 2.538 -12.806 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.352 2.686 -12.464 1.00 0.00 H ATOM 407 H ARG A 306 -19.382 -3.183 -12.852 1.00 0.00 H ATOM 408 N GLU A 307 -18.443 0.635 -14.755 1.00 25.94 N ATOM 409 CA GLU A 307 -17.344 1.505 -15.148 1.00 23.28 C ATOM 410 C GLU A 307 -17.660 2.951 -14.769 1.00 26.90 C ATOM 411 O GLU A 307 -18.831 3.336 -14.645 1.00 26.46 O ATOM 412 CB GLU A 307 -17.051 1.396 -16.647 1.00 24.49 C ATOM 413 CG GLU A 307 -16.544 0.024 -17.098 1.00 29.26 C ATOM 414 CD GLU A 307 -16.189 -0.066 -18.569 1.00 34.84 C ATOM 415 OE1 GLU A 307 -16.527 0.877 -19.320 1.00 33.94 O ATOM 416 OE2 GLU A 307 -15.610 -1.097 -18.981 1.00 33.08 O ATOM 417 H GLU A 307 -19.401 0.879 -15.078 1.00 0.00 H ATOM 418 N TYR A 308 -16.599 3.753 -14.628 1.00 22.87 N ATOM 419 CA TYR A 308 -16.689 5.177 -14.347 1.00 22.18 C ATOM 420 C TYR A 308 -15.954 5.931 -15.428 1.00 23.97 C ATOM 421 O TYR A 308 -14.931 5.451 -15.921 1.00 21.70 O ATOM 422 CB TYR A 308 -16.069 5.517 -12.988 1.00 22.73 C ATOM 423 CG TYR A 308 -16.881 4.977 -11.833 1.00 24.08 C ATOM 424 CD1 TYR A 308 -18.022 5.637 -11.390 1.00 26.52 C ATOM 425 CD2 TYR A 308 -16.540 3.776 -11.218 1.00 25.43 C ATOM 426 CE1 TYR A 308 -18.789 5.132 -10.343 1.00 28.95 C ATOM 427 CE2 TYR A 308 -17.298 3.264 -10.160 1.00 28.07 C ATOM 428 CZ TYR A 308 -18.426 3.944 -9.733 1.00 34.03 C ATOM 429 OH TYR A 308 -19.184 3.456 -8.695 1.00 37.89 O ATOM 430 HH TYR A 308 -19.945 4.067 -8.528 1.00 0.00 H ATOM 431 H TYR A 308 -15.653 3.333 -14.725 1.00 0.00 H ATOM 432 N HIS A 309 -16.478 7.116 -15.789 1.00 20.02 N ATOM 433 CA HIS A 309 -15.852 7.991 -16.779 1.00 18.94 C ATOM 434 C HIS A 309 -14.958 8.941 -16.018 1.00 19.89 C ATOM 435 O HIS A 309 -15.398 9.578 -15.060 1.00 20.31 O ATOM 436 CB HIS A 309 -16.917 8.748 -17.584 1.00 20.15 C ATOM 437 CG HIS A 309 -16.318 9.598 -18.657 1.00 22.41 C ATOM 438 ND1 HIS A 309 -15.991 10.933 -18.427 1.00 23.17 N ATOM 439 CD2 HIS A 309 -15.937 9.259 -19.911 1.00 24.24 C ATOM 440 CE1 HIS A 309 -15.473 11.367 -19.564 1.00 22.79 C ATOM 441 NE2 HIS A 309 -15.395 10.387 -20.477 1.00 23.77 N ATOM 442 H HIS A 309 -17.367 7.423 -15.345 1.00 0.00 H ATOM 443 N VAL A 310 -13.683 9.014 -16.425 1.00 17.82 N ATOM 444 CA VAL A 310 -12.706 9.856 -15.730 1.00 16.78 C ATOM 445 C VAL A 310 -11.955 10.745 -16.688 1.00 20.20 C ATOM 446 O VAL A 310 -11.733 10.377 -17.857 1.00 19.59 O ATOM 447 CB VAL A 310 -11.681 9.015 -14.884 1.00 19.37 C ATOM 448 CG1 VAL A 310 -12.387 8.138 -13.842 1.00 20.19 C ATOM 449 CG2 VAL A 310 -10.749 8.166 -15.764 1.00 19.58 C ATOM 450 H VAL A 310 -13.381 8.461 -17.252 1.00 0.00 H ATOM 451 N GLN A 311 -11.492 11.869 -16.153 1.00 16.57 N ATOM 452 CA GLN A 311 -10.541 12.763 -16.817 1.00 16.33 C ATOM 453 C GLN A 311 -9.194 12.484 -16.158 1.00 19.27 C ATOM 454 O GLN A 311 -9.119 12.469 -14.932 1.00 18.65 O ATOM 455 CB GLN A 311 -10.875 14.235 -16.520 1.00 17.70 C ATOM 456 CG GLN A 311 -12.242 14.663 -17.057 1.00 18.82 C ATOM 457 CD GLN A 311 -12.451 16.159 -17.037 1.00 25.02 C ATOM 458 OE1 GLN A 311 -13.404 16.660 -17.631 1.00 22.23 O ATOM 459 NE2 GLN A 311 -11.568 16.926 -16.378 1.00 21.25 N ATOM 460 HE22 GLN A 311 -10.767 16.487 -15.880 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.685 17.959 -16.365 1.00 0.00 H ATOM 462 H GLN A 311 -11.826 12.131 -15.203 1.00 0.00 H ATOM 463 N PHE A 312 -8.131 12.291 -16.939 1.00 16.51 N ATOM 464 CA PHE A 312 -6.808 12.138 -16.331 1.00 16.90 C ATOM 465 C PHE A 312 -6.203 13.522 -16.145 1.00 20.57 C ATOM 466 O PHE A 312 -6.145 14.290 -17.113 1.00 20.67 O ATOM 467 CB PHE A 312 -5.857 11.352 -17.263 1.00 18.75 C ATOM 468 CG PHE A 312 -6.335 9.947 -17.517 1.00 19.18 C ATOM 469 CD1 PHE A 312 -6.096 8.936 -16.590 1.00 22.27 C ATOM 470 CD2 PHE A 312 -7.033 9.632 -18.676 1.00 21.12 C ATOM 471 CE1 PHE A 312 -6.555 7.637 -16.814 1.00 23.03 C ATOM 472 CE2 PHE A 312 -7.513 8.331 -18.891 1.00 24.74 C ATOM 473 CZ PHE A 312 -7.282 7.347 -17.956 1.00 22.86 C ATOM 474 H PHE A 312 -8.241 12.249 -17.972 1.00 0.00 H ATOM 475 N PHE A 313 -5.731 13.839 -14.922 1.00 17.95 N ATOM 476 CA PHE A 313 -4.994 15.083 -14.698 1.00 18.02 C ATOM 477 C PHE A 313 -3.636 14.938 -15.379 1.00 22.59 C ATOM 478 O PHE A 313 -2.928 13.938 -15.163 1.00 22.38 O ATOM 479 CB PHE A 313 -4.797 15.376 -13.206 1.00 19.44 C ATOM 480 CG PHE A 313 -6.041 15.813 -12.478 1.00 19.71 C ATOM 481 CD1 PHE A 313 -6.551 17.103 -12.641 1.00 21.77 C ATOM 482 CD2 PHE A 313 -6.671 14.966 -11.577 1.00 20.99 C ATOM 483 CE1 PHE A 313 -7.685 17.521 -11.931 1.00 22.95 C ATOM 484 CE2 PHE A 313 -7.792 15.396 -10.850 1.00 23.42 C ATOM 485 CZ PHE A 313 -8.285 16.675 -11.030 1.00 21.24 C ATOM 486 H PHE A 313 -5.893 13.189 -14.126 1.00 0.00 H ATOM 487 N SER A 314 -3.261 15.935 -16.184 1.00 20.59 N ATOM 488 CA SER A 314 -2.032 15.879 -16.979 1.00 21.28 C ATOM 489 C SER A 314 -1.863 17.180 -17.750 1.00 28.32 C ATOM 490 O SER A 314 -2.802 17.973 -17.827 1.00 30.21 O ATOM 491 CB SER A 314 -2.192 14.753 -18.011 1.00 24.29 C ATOM 492 OG SER A 314 -1.109 14.606 -18.916 1.00 28.25 O ATOM 493 HG SER A 314 -1.300 13.861 -19.539 1.00 0.00 H ATOM 494 H SER A 314 -3.863 16.781 -16.249 1.00 0.00 H ATOM 495 N ASN A 315 -0.713 17.351 -18.418 1.00 26.50 N ATOM 496 CA ASN A 315 -0.511 18.492 -19.307 1.00 30.14 C ATOM 497 C ASN A 315 -1.204 18.184 -20.664 1.00 39.02 C ATOM 498 O ASN A 315 -1.284 19.057 -21.520 1.00 41.62 O ATOM 499 CB ASN A 315 0.992 18.729 -19.541 1.00 32.47 C ATOM 500 CG ASN A 315 1.686 17.573 -20.230 1.00 48.11 C ATOM 501 OD1 ASN A 315 1.446 16.401 -19.931 1.00 36.50 O ATOM 502 ND2 ASN A 315 2.557 17.874 -21.176 1.00 47.81 N ATOM 503 HD22 ASN A 315 2.745 18.869 -21.413 1.00 0.00 H ATOM 504 HD21 ASN A 315 3.055 17.116 -21.684 1.00 0.00 H ATOM 505 H ASN A 315 0.052 16.656 -18.301 1.00 0.00 H ATOM 506 N GLN A 316 -1.670 16.928 -20.850 1.00 35.79 N ATOM 507 CA GLN A 316 -2.285 16.378 -22.063 1.00 36.30 C ATOM 508 C GLN A 316 -3.700 15.855 -21.684 1.00 38.28 C ATOM 509 O GLN A 316 -3.815 14.729 -21.179 1.00 37.44 O ATOM 510 CB GLN A 316 -1.352 15.269 -22.609 1.00 37.89 C ATOM 511 CG GLN A 316 -1.885 14.356 -23.721 1.00 53.74 C ATOM 512 CD GLN A 316 -1.263 12.968 -23.657 1.00 70.89 C ATOM 513 OE1 GLN A 316 -0.080 12.781 -23.339 1.00 66.91 O ATOM 514 NE2 GLN A 316 -2.045 11.952 -23.961 1.00 59.95 N ATOM 515 HE22 GLN A 316 -3.036 12.120 -24.227 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.671 10.982 -23.935 1.00 0.00 H ATOM 517 H GLN A 316 -1.582 16.279 -20.042 1.00 0.00 H ATOM 518 N PRO A 317 -4.776 16.672 -21.876 1.00 34.12 N ATOM 519 CA PRO A 317 -6.127 16.220 -21.481 1.00 31.65 C ATOM 520 C PRO A 317 -6.578 14.946 -22.181 1.00 31.78 C ATOM 521 O PRO A 317 -6.499 14.838 -23.397 1.00 30.82 O ATOM 522 CB PRO A 317 -7.027 17.408 -21.834 1.00 34.68 C ATOM 523 CG PRO A 317 -6.256 18.206 -22.810 1.00 41.34 C ATOM 524 CD PRO A 317 -4.819 18.039 -22.430 1.00 37.47 C ATOM 525 N GLU A 318 -7.004 13.959 -21.394 1.00 25.72 N ATOM 526 CA GLU A 318 -7.469 12.673 -21.910 1.00 24.77 C ATOM 527 C GLU A 318 -8.533 12.165 -20.973 1.00 22.84 C ATOM 528 O GLU A 318 -8.582 12.563 -19.806 1.00 20.66 O ATOM 529 CB GLU A 318 -6.340 11.622 -21.970 1.00 26.94 C ATOM 530 CG GLU A 318 -5.253 11.879 -23.010 1.00 36.47 C ATOM 531 CD GLU A 318 -5.447 11.365 -24.424 1.00 60.40 C ATOM 532 OE1 GLU A 318 -4.432 11.222 -25.141 1.00 66.75 O ATOM 533 OE2 GLU A 318 -6.602 11.110 -24.825 1.00 54.63 O ATOM 534 H GLU A 318 -7.006 14.111 -20.365 1.00 0.00 H ATOM 535 N ARG A 319 -9.358 11.265 -21.475 1.00 20.93 N ATOM 536 CA ARG A 319 -10.439 10.694 -20.679 1.00 20.48 C ATOM 537 C ARG A 319 -10.568 9.226 -21.004 1.00 24.21 C ATOM 538 O ARG A 319 -10.062 8.775 -22.044 1.00 24.84 O ATOM 539 CB ARG A 319 -11.765 11.423 -20.980 1.00 20.87 C ATOM 540 CG ARG A 319 -12.143 11.374 -22.475 1.00 32.25 C ATOM 541 CD ARG A 319 -13.509 11.917 -22.738 1.00 46.09 C ATOM 542 NE ARG A 319 -14.003 11.563 -24.067 1.00 53.50 N ATOM 543 CZ ARG A 319 -14.885 10.597 -24.299 1.00 67.45 C ATOM 544 NH1 ARG A 319 -15.291 10.344 -25.538 1.00 54.33 N ATOM 545 NH2 ARG A 319 -15.372 9.878 -23.295 1.00 46.18 N ATOM 546 HE ARG A 319 -13.642 12.100 -24.881 1.00 0.00 H ATOM 547 HH12 ARG A 319 -15.982 9.587 -25.714 1.00 0.00 H ATOM 548 HH11 ARG A 319 -14.918 10.903 -26.332 1.00 0.00 H ATOM 549 HH22 ARG A 319 -16.062 9.123 -23.483 1.00 0.00 H ATOM 550 HH21 ARG A 319 -15.063 10.070 -22.321 1.00 0.00 H ATOM 551 H ARG A 319 -9.235 10.956 -22.460 1.00 0.00 H ATOM 552 N ALA A 320 -11.299 8.487 -20.161 1.00 21.82 N ATOM 553 CA ALA A 320 -11.534 7.058 -20.408 1.00 22.27 C ATOM 554 C ALA A 320 -12.623 6.522 -19.524 1.00 24.77 C ATOM 555 O ALA A 320 -12.896 7.082 -18.464 1.00 23.49 O ATOM 556 CB ALA A 320 -10.266 6.258 -20.145 1.00 22.66 C ATOM 557 H ALA A 320 -11.708 8.933 -19.315 1.00 0.00 H ATOM 558 N TRP A 321 -13.208 5.402 -19.948 1.00 23.00 N ATOM 559 CA TRP A 321 -14.132 4.621 -19.139 1.00 23.14 C ATOM 560 C TRP A 321 -13.244 3.597 -18.437 1.00 26.70 C ATOM 561 O TRP A 321 -12.463 2.910 -19.093 1.00 27.99 O ATOM 562 CB TRP A 321 -15.176 3.925 -20.023 1.00 23.37 C ATOM 563 CG TRP A 321 -16.297 4.843 -20.389 1.00 25.17 C ATOM 564 CD1 TRP A 321 -16.439 5.560 -21.542 1.00 28.71 C ATOM 565 CD2 TRP A 321 -17.390 5.218 -19.543 1.00 25.01 C ATOM 566 NE1 TRP A 321 -17.597 6.307 -21.491 1.00 28.40 N ATOM 567 CE2 TRP A 321 -18.195 6.118 -20.271 1.00 28.88 C ATOM 568 CE3 TRP A 321 -17.772 4.868 -18.238 1.00 26.01 C ATOM 569 CZ2 TRP A 321 -19.366 6.667 -19.739 1.00 28.48 C ATOM 570 CZ3 TRP A 321 -18.926 5.423 -17.713 1.00 27.87 C ATOM 571 CH2 TRP A 321 -19.709 6.307 -18.461 1.00 28.64 C ATOM 572 HE1 TRP A 321 -17.958 6.915 -22.254 1.00 0.00 H ATOM 573 H TRP A 321 -12.993 5.068 -20.909 1.00 0.00 H ATOM 574 N VAL A 322 -13.328 3.522 -17.108 1.00 22.73 N ATOM 575 CA VAL A 322 -12.480 2.642 -16.301 1.00 22.60 C ATOM 576 C VAL A 322 -13.327 1.715 -15.436 1.00 26.51 C ATOM 577 O VAL A 322 -14.257 2.182 -14.772 1.00 25.34 O ATOM 578 CB VAL A 322 -11.493 3.491 -15.440 1.00 25.21 C ATOM 579 CG1 VAL A 322 -10.529 2.597 -14.641 1.00 26.67 C ATOM 580 CG2 VAL A 322 -10.714 4.481 -16.324 1.00 24.05 C ATOM 581 H VAL A 322 -14.029 4.117 -16.622 1.00 0.00 H ATOM 582 N HIS A 323 -12.983 0.406 -15.429 1.00 25.01 N ATOM 583 CA HIS A 323 -13.659 -0.625 -14.606 1.00 26.10 C ATOM 584 C HIS A 323 -13.553 -0.215 -13.123 1.00 28.55 C ATOM 585 O HIS A 323 -12.482 0.228 -12.688 1.00 27.21 O ATOM 586 CB HIS A 323 -12.967 -1.997 -14.818 1.00 27.99 C ATOM 587 CG HIS A 323 -13.706 -3.190 -14.287 1.00 33.87 C ATOM 588 ND1 HIS A 323 -13.872 -3.394 -12.932 1.00 36.57 N ATOM 589 CD2 HIS A 323 -14.223 -4.253 -14.952 1.00 37.63 C ATOM 590 CE1 HIS A 323 -14.510 -4.549 -12.813 1.00 38.04 C ATOM 591 NE2 HIS A 323 -14.740 -5.104 -13.999 1.00 39.01 N ATOM 592 H HIS A 323 -12.196 0.105 -16.039 1.00 0.00 H ATOM 593 N GLU A 324 -14.661 -0.312 -12.370 1.00 27.25 N ATOM 594 CA GLU A 324 -14.722 0.042 -10.944 1.00 28.28 C ATOM 595 C GLU A 324 -13.599 -0.589 -10.085 1.00 34.27 C ATOM 596 O GLU A 324 -13.110 0.070 -9.167 1.00 34.24 O ATOM 597 CB GLU A 324 -16.111 -0.240 -10.341 1.00 31.46 C ATOM 598 CG GLU A 324 -16.557 -1.698 -10.361 1.00 42.38 C ATOM 599 CD GLU A 324 -17.823 -2.029 -9.591 1.00 65.31 C ATOM 600 OE1 GLU A 324 -18.094 -3.238 -9.404 1.00 58.96 O ATOM 601 OE2 GLU A 324 -18.545 -1.092 -9.174 1.00 52.03 O ATOM 602 H GLU A 324 -15.530 -0.659 -12.824 1.00 0.00 H ATOM 603 N LYS A 325 -13.150 -1.826 -10.412 1.00 31.32 N ATOM 604 CA LYS A 325 -12.065 -2.499 -9.668 1.00 31.26 C ATOM 605 C LYS A 325 -10.706 -1.803 -9.865 1.00 32.80 C ATOM 606 O LYS A 325 -9.752 -2.091 -9.136 1.00 32.20 O ATOM 607 CB LYS A 325 -11.969 -3.982 -10.057 1.00 35.34 C ATOM 608 CG LYS A 325 -13.106 -4.821 -9.497 1.00 49.47 C ATOM 609 CD LYS A 325 -13.021 -6.262 -9.985 1.00 60.24 C ATOM 610 CE LYS A 325 -14.289 -7.044 -9.725 1.00 72.12 C ATOM 611 NZ LYS A 325 -14.464 -7.366 -8.284 1.00 81.79 N ATOM 612 HZ1 LYS A 325 -13.659 -7.937 -7.957 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -14.510 -6.483 -7.736 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -15.346 -7.902 -8.154 1.00 0.00 H ATOM 615 H LYS A 325 -13.586 -2.320 -11.217 1.00 0.00 H ATOM 616 N ARG A 326 -10.609 -0.914 -10.871 1.00 27.55 N ATOM 617 CA ARG A 326 -9.373 -0.185 -11.175 1.00 25.68 C ATOM 618 C ARG A 326 -9.462 1.300 -10.815 1.00 28.63 C ATOM 619 O ARG A 326 -8.664 2.107 -11.282 1.00 26.58 O ATOM 620 CB ARG A 326 -8.977 -0.401 -12.630 1.00 27.11 C ATOM 621 CG ARG A 326 -8.717 -1.883 -12.932 1.00 40.03 C ATOM 622 CD ARG A 326 -8.772 -2.164 -14.406 1.00 60.62 C ATOM 623 NE ARG A 326 -7.483 -1.874 -15.029 1.00 78.29 N ATOM 624 CZ ARG A 326 -6.629 -2.797 -15.450 1.00 95.59 C ATOM 625 NH1 ARG A 326 -6.943 -4.086 -15.375 1.00 83.14 N ATOM 626 NH2 ARG A 326 -5.473 -2.440 -15.992 1.00 84.18 N ATOM 627 HE ARG A 326 -7.217 -0.876 -15.151 1.00 0.00 H ATOM 628 HH12 ARG A 326 -6.269 -4.805 -15.707 1.00 0.00 H ATOM 629 HH11 ARG A 326 -7.862 -4.375 -14.985 1.00 0.00 H ATOM 630 HH22 ARG A 326 -4.806 -3.167 -16.321 1.00 0.00 H ATOM 631 HH21 ARG A 326 -5.233 -1.433 -16.088 1.00 0.00 H ATOM 632 H ARG A 326 -11.448 -0.736 -11.459 1.00 0.00 H ATOM 633 N VAL A 327 -10.421 1.646 -9.964 1.00 26.98 N ATOM 634 CA VAL A 327 -10.644 3.010 -9.486 1.00 25.91 C ATOM 635 C VAL A 327 -10.571 2.985 -7.958 1.00 31.74 C ATOM 636 O VAL A 327 -11.096 2.056 -7.330 1.00 33.91 O ATOM 637 CB VAL A 327 -12.001 3.580 -10.006 1.00 29.62 C ATOM 638 CG1 VAL A 327 -12.256 4.985 -9.486 1.00 29.48 C ATOM 639 CG2 VAL A 327 -12.054 3.583 -11.535 1.00 28.49 C ATOM 640 H VAL A 327 -11.054 0.899 -9.615 1.00 0.00 H ATOM 641 N ARG A 328 -9.905 3.993 -7.367 1.00 27.19 N ATOM 642 CA ARG A 328 -9.761 4.145 -5.913 1.00 27.21 C ATOM 643 C ARG A 328 -9.952 5.614 -5.558 1.00 29.50 C ATOM 644 O ARG A 328 -9.500 6.470 -6.308 1.00 26.13 O ATOM 645 CB ARG A 328 -8.343 3.712 -5.454 1.00 26.07 C ATOM 646 CG ARG A 328 -7.944 2.258 -5.738 1.00 31.65 C ATOM 647 CD ARG A 328 -8.625 1.255 -4.803 1.00 36.34 C ATOM 648 NE ARG A 328 -8.118 -0.105 -5.008 1.00 41.69 N ATOM 649 CZ ARG A 328 -8.542 -0.935 -5.957 1.00 58.33 C ATOM 650 NH1 ARG A 328 -8.013 -2.146 -6.072 1.00 55.41 N ATOM 651 NH2 ARG A 328 -9.498 -0.560 -6.800 1.00 41.55 N ATOM 652 HE ARG A 328 -7.374 -0.445 -4.366 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.348 -2.791 -6.816 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.263 -2.450 -5.419 1.00 0.00 H ATOM 655 HH22 ARG A 328 -9.825 -1.214 -7.540 1.00 0.00 H ATOM 656 HH21 ARG A 328 -9.919 0.387 -6.720 1.00 0.00 H ATOM 657 H ARG A 328 -9.464 4.710 -7.978 1.00 0.00 H ATOM 658 N GLU A 329 -10.548 5.915 -4.401 1.00 27.42 N ATOM 659 CA GLU A 329 -10.689 7.295 -3.920 1.00 26.69 C ATOM 660 C GLU A 329 -9.283 7.933 -3.799 1.00 30.02 C ATOM 661 O GLU A 329 -8.351 7.267 -3.344 1.00 31.07 O ATOM 662 CB GLU A 329 -11.387 7.287 -2.541 1.00 30.28 C ATOM 663 CG GLU A 329 -11.566 8.664 -1.922 1.00 42.16 C ATOM 664 CD GLU A 329 -12.051 8.673 -0.484 1.00 53.97 C ATOM 665 OE1 GLU A 329 -12.631 9.699 -0.066 1.00 50.59 O ATOM 666 OE2 GLU A 329 -11.855 7.661 0.224 1.00 48.92 O ATOM 667 H GLU A 329 -10.927 5.142 -3.818 1.00 0.00 H ATOM 668 N TYR A 330 -9.115 9.173 -4.270 1.00 24.94 N ATOM 669 CA TYR A 330 -7.837 9.873 -4.177 1.00 24.14 C ATOM 670 C TYR A 330 -7.844 10.668 -2.857 1.00 29.94 C ATOM 671 O TYR A 330 -8.590 11.644 -2.726 1.00 28.89 O ATOM 672 CB TYR A 330 -7.636 10.812 -5.381 1.00 23.52 C ATOM 673 CG TYR A 330 -6.302 11.525 -5.400 1.00 24.02 C ATOM 674 CD1 TYR A 330 -6.123 12.733 -4.722 1.00 26.26 C ATOM 675 CD2 TYR A 330 -5.236 11.031 -6.148 1.00 23.93 C ATOM 676 CE1 TYR A 330 -4.900 13.404 -4.747 1.00 24.89 C ATOM 677 CE2 TYR A 330 -4.023 11.713 -6.214 1.00 24.88 C ATOM 678 CZ TYR A 330 -3.860 12.900 -5.513 1.00 28.34 C ATOM 679 OH TYR A 330 -2.648 13.533 -5.555 1.00 27.20 O ATOM 680 HH TYR A 330 -2.689 14.359 -5.010 1.00 0.00 H ATOM 681 H TYR A 330 -9.921 9.655 -4.717 1.00 0.00 H ATOM 682 N LYS A 331 -7.024 10.239 -1.898 1.00 27.41 N ATOM 683 CA LYS A 331 -6.898 10.878 -0.573 1.00 29.70 C ATOM 684 C LYS A 331 -5.698 11.832 -0.517 1.00 33.61 C ATOM 685 O LYS A 331 -5.656 12.723 0.328 1.00 34.83 O ATOM 686 CB LYS A 331 -6.753 9.811 0.529 1.00 34.35 C ATOM 687 CG LYS A 331 -7.918 8.831 0.640 1.00 50.69 C ATOM 688 CD LYS A 331 -7.593 7.711 1.620 1.00 62.38 C ATOM 689 CE LYS A 331 -8.623 6.612 1.594 1.00 75.53 C ATOM 690 NZ LYS A 331 -8.218 5.466 2.450 1.00 88.10 N ATOM 691 HZ1 LYS A 331 -7.315 5.080 2.107 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -8.107 5.791 3.432 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -8.950 4.728 2.408 1.00 0.00 H ATOM 694 H LYS A 331 -6.437 9.403 -2.095 1.00 0.00 H ATOM 695 N GLY A 332 -4.723 11.606 -1.393 1.00 29.12 N ATOM 696 CA GLY A 332 -3.490 12.378 -1.473 1.00 28.52 C ATOM 697 C GLY A 332 -2.422 11.653 -2.263 1.00 31.09 C ATOM 698 O GLY A 332 -2.463 10.419 -2.378 1.00 29.81 O ATOM 699 H GLY A 332 -4.849 10.824 -2.067 1.00 0.00 H ATOM 700 N HIS A 333 -1.438 12.412 -2.801 1.00 27.97 N ATOM 701 CA HIS A 333 -0.354 11.849 -3.613 1.00 27.62 C ATOM 702 C HIS A 333 0.461 10.759 -2.908 1.00 30.68 C ATOM 703 O HIS A 333 0.943 9.837 -3.569 1.00 29.35 O ATOM 704 CB HIS A 333 0.574 12.949 -4.162 1.00 29.07 C ATOM 705 CG HIS A 333 1.477 13.582 -3.146 1.00 34.55 C ATOM 706 ND1 HIS A 333 1.022 14.576 -2.288 1.00 37.90 N ATOM 707 CD2 HIS A 333 2.794 13.384 -2.918 1.00 37.49 C ATOM 708 CE1 HIS A 333 2.066 14.921 -1.551 1.00 38.21 C ATOM 709 NE2 HIS A 333 3.156 14.240 -1.901 1.00 39.20 N ATOM 710 H HIS A 333 -1.451 13.438 -2.631 1.00 0.00 H ATOM 711 N LYS A 334 0.605 10.850 -1.561 1.00 30.47 N ATOM 712 CA LYS A 334 1.390 9.864 -0.803 1.00 32.13 C ATOM 713 C LYS A 334 0.723 8.487 -0.714 1.00 35.13 C ATOM 714 O LYS A 334 1.366 7.505 -0.326 1.00 36.54 O ATOM 715 CB LYS A 334 1.752 10.410 0.581 1.00 36.44 C ATOM 716 CG LYS A 334 2.832 11.475 0.515 1.00 47.51 C ATOM 717 CD LYS A 334 2.962 12.200 1.844 1.00 64.65 C ATOM 718 CE LYS A 334 4.234 13.004 1.942 1.00 81.86 C ATOM 719 NZ LYS A 334 4.253 14.166 1.010 1.00 92.38 N ATOM 720 HZ1 LYS A 334 4.165 13.825 0.031 1.00 0.00 H ATOM 721 HZ2 LYS A 334 3.458 14.799 1.231 1.00 0.00 H ATOM 722 HZ3 LYS A 334 5.149 14.682 1.120 1.00 0.00 H ATOM 723 H LYS A 334 0.150 11.635 -1.053 1.00 0.00 H ATOM 724 N GLN A 335 -0.548 8.397 -1.131 1.00 30.08 N ATOM 725 CA GLN A 335 -1.277 7.126 -1.178 1.00 30.07 C ATOM 726 C GLN A 335 -0.706 6.192 -2.279 1.00 30.94 C ATOM 727 O GLN A 335 -0.988 4.998 -2.259 1.00 29.96 O ATOM 728 CB GLN A 335 -2.764 7.428 -1.412 1.00 30.24 C ATOM 729 CG GLN A 335 -3.717 6.258 -1.547 1.00 37.58 C ATOM 730 CD GLN A 335 -5.080 6.759 -1.959 1.00 44.60 C ATOM 731 OE1 GLN A 335 -5.294 7.965 -2.207 1.00 34.28 O ATOM 732 NE2 GLN A 335 -6.030 5.842 -2.057 1.00 40.98 N ATOM 733 HE22 GLN A 335 -5.816 4.847 -1.843 1.00 0.00 H ATOM 734 HE21 GLN A 335 -6.990 6.117 -2.348 1.00 0.00 H ATOM 735 H GLN A 335 -1.037 9.264 -1.433 1.00 0.00 H ATOM 736 N TYR A 336 0.097 6.732 -3.224 1.00 28.06 N ATOM 737 CA TYR A 336 0.671 5.949 -4.332 1.00 27.65 C ATOM 738 C TYR A 336 1.355 4.653 -3.856 1.00 32.67 C ATOM 739 O TYR A 336 1.080 3.588 -4.413 1.00 30.86 O ATOM 740 CB TYR A 336 1.638 6.802 -5.180 1.00 28.12 C ATOM 741 CG TYR A 336 2.094 6.080 -6.428 1.00 26.81 C ATOM 742 CD1 TYR A 336 1.247 5.943 -7.525 1.00 26.16 C ATOM 743 CD2 TYR A 336 3.361 5.504 -6.502 1.00 28.74 C ATOM 744 CE1 TYR A 336 1.656 5.275 -8.672 1.00 26.26 C ATOM 745 CE2 TYR A 336 3.784 4.842 -7.651 1.00 29.17 C ATOM 746 CZ TYR A 336 2.919 4.713 -8.728 1.00 33.42 C ATOM 747 OH TYR A 336 3.303 4.062 -9.870 1.00 32.21 O ATOM 748 HH TYR A 336 4.090 4.519 -10.260 1.00 0.00 H ATOM 749 H TYR A 336 0.319 7.746 -3.166 1.00 0.00 H ATOM 750 N GLU A 337 2.183 4.740 -2.788 1.00 33.17 N ATOM 751 CA GLU A 337 2.879 3.577 -2.209 1.00 35.49 C ATOM 752 C GLU A 337 1.909 2.478 -1.779 1.00 39.17 C ATOM 753 O GLU A 337 2.220 1.290 -1.933 1.00 38.34 O ATOM 754 CB GLU A 337 3.671 3.980 -0.966 1.00 39.36 C ATOM 755 CG GLU A 337 4.949 4.749 -1.224 1.00 55.35 C ATOM 756 CD GLU A 337 5.865 4.761 -0.011 1.00 78.06 C ATOM 757 OE1 GLU A 337 5.347 4.803 1.131 1.00 57.42 O ATOM 758 OE2 GLU A 337 7.102 4.717 -0.203 1.00 79.39 O ATOM 759 H GLU A 337 2.335 5.673 -2.355 1.00 0.00 H ATOM 760 N GLU A 338 0.751 2.882 -1.202 1.00 34.86 N ATOM 761 CA GLU A 338 -0.292 1.973 -0.711 1.00 35.87 C ATOM 762 C GLU A 338 -0.910 1.197 -1.855 1.00 39.27 C ATOM 763 O GLU A 338 -1.193 0.004 -1.708 1.00 40.86 O ATOM 764 CB GLU A 338 -1.386 2.742 0.048 1.00 37.25 C ATOM 765 CG GLU A 338 -0.910 3.398 1.334 1.00 49.23 C ATOM 766 CD GLU A 338 -1.822 4.475 1.894 1.00 70.58 C ATOM 767 OE1 GLU A 338 -1.291 5.434 2.500 1.00 74.96 O ATOM 768 OE2 GLU A 338 -3.060 4.367 1.731 1.00 58.64 O ATOM 769 H GLU A 338 0.591 3.905 -1.100 1.00 0.00 H ATOM 770 N LEU A 339 -1.104 1.874 -3.003 1.00 32.93 N ATOM 771 CA LEU A 339 -1.667 1.267 -4.206 1.00 31.55 C ATOM 772 C LEU A 339 -0.732 0.195 -4.757 1.00 37.14 C ATOM 773 O LEU A 339 -1.198 -0.887 -5.133 1.00 37.43 O ATOM 774 CB LEU A 339 -1.955 2.340 -5.255 1.00 29.60 C ATOM 775 CG LEU A 339 -2.961 3.419 -4.834 1.00 32.87 C ATOM 776 CD1 LEU A 339 -3.010 4.532 -5.853 1.00 31.42 C ATOM 777 CD2 LEU A 339 -4.364 2.831 -4.689 1.00 35.49 C ATOM 778 H LEU A 339 -0.840 2.879 -3.034 1.00 0.00 H ATOM 779 N LEU A 340 0.582 0.477 -4.765 1.00 34.90 N ATOM 780 CA LEU A 340 1.601 -0.482 -5.211 1.00 37.42 C ATOM 781 C LEU A 340 1.653 -1.682 -4.266 1.00 44.00 C ATOM 782 O LEU A 340 1.909 -2.795 -4.715 1.00 44.25 O ATOM 783 CB LEU A 340 2.997 0.166 -5.279 1.00 38.53 C ATOM 784 CG LEU A 340 3.256 1.248 -6.335 1.00 42.59 C ATOM 785 CD1 LEU A 340 4.669 1.759 -6.209 1.00 44.39 C ATOM 786 CD2 LEU A 340 3.018 0.724 -7.753 1.00 44.84 C ATOM 787 H LEU A 340 0.891 1.416 -4.441 1.00 0.00 H ATOM 788 N ALA A 341 1.392 -1.453 -2.962 1.00 41.63 N ATOM 789 CA ALA A 341 1.395 -2.498 -1.938 1.00 43.67 C ATOM 790 C ALA A 341 0.251 -3.507 -2.100 1.00 47.96 C ATOM 791 O ALA A 341 0.397 -4.648 -1.650 1.00 50.85 O ATOM 792 CB ALA A 341 1.380 -1.877 -0.545 1.00 45.59 C ATOM 793 H ALA A 341 1.177 -0.479 -2.668 1.00 0.00 H ATOM 794 N GLU A 342 -0.859 -3.111 -2.774 1.00 42.05 N ATOM 795 CA GLU A 342 -2.018 -3.975 -3.058 1.00 63.79 C ATOM 796 C GLU A 342 -1.581 -5.190 -3.885 1.00 94.75 C ATOM 797 O GLU A 342 -2.305 -6.178 -3.973 1.00 65.03 O ATOM 798 CB GLU A 342 -3.103 -3.211 -3.842 1.00 62.78 C ATOM 799 CG GLU A 342 -3.875 -2.158 -3.060 1.00 69.78 C ATOM 800 CD GLU A 342 -5.058 -1.551 -3.796 1.00 79.13 C ATOM 801 OE1 GLU A 342 -5.474 -2.108 -4.839 1.00 65.65 O ATOM 802 OE2 GLU A 342 -5.578 -0.517 -3.321 1.00 69.63 O ATOM 803 H GLU A 342 -0.894 -2.129 -3.114 1.00 0.00 H TER 804 GLU A 342 ATOM 805 N LYS A 355 12.097 -7.147 -1.895 1.00 65.81 N ATOM 806 CA LYS A 355 11.083 -6.241 -2.436 1.00 62.06 C ATOM 807 C LYS A 355 11.394 -5.883 -3.896 1.00 64.31 C ATOM 808 O LYS A 355 12.552 -5.633 -4.233 1.00 65.40 O ATOM 809 CB LYS A 355 10.965 -4.977 -1.572 1.00 63.86 C ATOM 810 CG LYS A 355 9.595 -4.311 -1.639 1.00 71.46 C ATOM 811 CD LYS A 355 9.529 -3.036 -0.796 1.00 81.04 C ATOM 812 CE LYS A 355 9.050 -3.253 0.626 1.00 88.41 C ATOM 813 NZ LYS A 355 10.100 -3.837 1.504 1.00 95.27 N ATOM 814 HZ1 LYS A 355 10.396 -4.758 1.123 1.00 0.00 H ATOM 815 HZ2 LYS A 355 10.918 -3.196 1.538 1.00 0.00 H ATOM 816 HZ3 LYS A 355 9.718 -3.963 2.463 1.00 0.00 H ATOM 817 HN3 LYS A 355 13.029 -6.687 -1.937 1.00 0.00 H ATOM 818 HN2 LYS A 355 12.115 -8.021 -2.458 1.00 0.00 H ATOM 819 HN1 LYS A 355 11.865 -7.375 -0.907 1.00 0.00 H ATOM 820 N ILE A 356 10.364 -5.887 -4.758 1.00 57.89 N ATOM 821 CA ILE A 356 10.501 -5.628 -6.196 1.00 56.30 C ATOM 822 C ILE A 356 9.668 -4.423 -6.639 1.00 55.85 C ATOM 823 O ILE A 356 8.482 -4.328 -6.308 1.00 54.89 O ATOM 824 CB ILE A 356 10.175 -6.907 -7.053 1.00 60.11 C ATOM 825 CG1 ILE A 356 10.954 -8.157 -6.586 1.00 64.07 C ATOM 826 CG2 ILE A 356 10.397 -6.653 -8.542 1.00 59.91 C ATOM 827 CD1 ILE A 356 10.443 -9.531 -7.169 1.00 71.48 C ATOM 828 H ILE A 356 9.414 -6.085 -4.385 1.00 0.00 H ATOM 829 N ARG A 357 10.277 -3.528 -7.434 1.00 49.71 N ATOM 830 CA ARG A 357 9.600 -2.348 -7.959 1.00 46.21 C ATOM 831 C ARG A 357 9.862 -2.132 -9.440 1.00 44.93 C ATOM 832 O ARG A 357 10.983 -2.310 -9.914 1.00 45.31 O ATOM 833 CB ARG A 357 9.981 -1.084 -7.159 1.00 49.56 C ATOM 834 CG ARG A 357 9.170 -0.911 -5.879 1.00 68.96 C ATOM 835 CD ARG A 357 9.649 0.262 -5.044 1.00 90.19 C ATOM 836 NE ARG A 357 9.432 0.030 -3.613 1.00107.47 N ATOM 837 CZ ARG A 357 9.799 0.867 -2.646 1.00125.28 C ATOM 838 NH1 ARG A 357 10.403 2.013 -2.943 1.00113.50 N ATOM 839 NH2 ARG A 357 9.564 0.566 -1.376 1.00113.16 N ATOM 840 HE ARG A 357 8.957 -0.852 -3.334 1.00 0.00 H ATOM 841 HH12 ARG A 357 10.687 2.663 -2.183 1.00 0.00 H ATOM 842 HH11 ARG A 357 10.591 2.260 -3.936 1.00 0.00 H ATOM 843 HH22 ARG A 357 9.853 1.224 -0.624 1.00 0.00 H ATOM 844 HH21 ARG A 357 9.091 -0.328 -1.132 1.00 0.00 H ATOM 845 H ARG A 357 11.274 -3.683 -7.686 1.00 0.00 H ATOM 846 N LYS A 358 8.821 -1.738 -10.160 1.00 38.71 N ATOM 847 CA LYS A 358 8.900 -1.398 -11.571 1.00 38.16 C ATOM 848 C LYS A 358 9.524 -0.003 -11.709 1.00 44.49 C ATOM 849 O LYS A 358 9.139 0.900 -10.953 1.00 43.91 O ATOM 850 CB LYS A 358 7.506 -1.368 -12.195 1.00 37.86 C ATOM 851 CG LYS A 358 6.879 -2.732 -12.355 1.00 39.71 C ATOM 852 CD LYS A 358 5.877 -2.685 -13.472 1.00 48.66 C ATOM 853 CE LYS A 358 4.558 -3.259 -13.061 1.00 49.54 C ATOM 854 NZ LYS A 358 3.526 -2.967 -14.085 1.00 39.54 N ATOM 855 HZ1 LYS A 358 3.429 -1.937 -14.194 1.00 0.00 H ATOM 856 HZ2 LYS A 358 3.811 -3.387 -14.993 1.00 0.00 H ATOM 857 HZ3 LYS A 358 2.617 -3.372 -13.784 1.00 0.00 H ATOM 858 H LYS A 358 7.896 -1.668 -9.689 1.00 0.00 H ATOM 859 N PRO A 359 10.467 0.228 -12.654 1.00 43.05 N ATOM 860 CA PRO A 359 10.976 1.600 -12.830 1.00 44.01 C ATOM 861 C PRO A 359 9.946 2.408 -13.634 1.00 49.56 C ATOM 862 O PRO A 359 9.026 1.826 -14.219 1.00 47.33 O ATOM 863 CB PRO A 359 12.259 1.392 -13.632 1.00 47.42 C ATOM 864 CG PRO A 359 11.986 0.176 -14.451 1.00 51.41 C ATOM 865 CD PRO A 359 11.046 -0.696 -13.653 1.00 45.80 C ATOM 866 N ARG A 360 10.089 3.731 -13.688 1.00 49.01 N ATOM 867 CA ARG A 360 9.141 4.499 -14.498 1.00 48.02 C ATOM 868 C ARG A 360 9.846 5.375 -15.527 1.00 53.18 C ATOM 869 O ARG A 360 10.802 6.071 -15.166 1.00 54.24 O ATOM 870 CB ARG A 360 8.128 5.301 -13.653 1.00 48.98 C ATOM 871 CG ARG A 360 7.166 4.457 -12.798 1.00 56.09 C ATOM 872 CD ARG A 360 6.223 3.529 -13.564 1.00 61.57 C ATOM 873 NE ARG A 360 5.552 2.603 -12.647 1.00 62.36 N ATOM 874 CZ ARG A 360 4.588 1.754 -12.990 1.00 72.10 C ATOM 875 NH1 ARG A 360 4.035 0.968 -12.076 1.00 57.02 N ATOM 876 NH2 ARG A 360 4.165 1.688 -14.247 1.00 55.56 N ATOM 877 HE ARG A 360 5.853 2.611 -11.652 1.00 0.00 H ATOM 878 HH12 ARG A 360 3.281 0.305 -12.348 1.00 0.00 H ATOM 879 HH11 ARG A 360 4.355 1.015 -11.088 1.00 0.00 H ATOM 880 HH22 ARG A 360 3.411 1.021 -14.507 1.00 0.00 H ATOM 881 HH21 ARG A 360 4.588 2.303 -14.971 1.00 0.00 H ATOM 882 H ARG A 360 10.854 4.206 -13.168 1.00 0.00 H ATOM 883 N PRO A 361 9.404 5.334 -16.813 1.00 49.69 N ATOM 884 CA PRO A 361 10.037 6.186 -17.835 1.00 51.36 C ATOM 885 C PRO A 361 9.880 7.667 -17.490 1.00 53.17 C ATOM 886 O PRO A 361 8.822 8.082 -17.003 1.00 49.78 O ATOM 887 CB PRO A 361 9.306 5.808 -19.132 1.00 52.77 C ATOM 888 CG PRO A 361 8.036 5.202 -18.701 1.00 55.04 C ATOM 889 CD PRO A 361 8.294 4.543 -17.383 1.00 50.24 C ATOM 890 N GLN A 362 10.966 8.435 -17.687 1.00 51.09 N ATOM 891 CA GLN A 362 11.076 9.866 -17.378 1.00 51.04 C ATOM 892 C GLN A 362 9.949 10.733 -17.933 1.00 51.53 C ATOM 893 O GLN A 362 9.408 11.552 -17.186 1.00 48.87 O ATOM 894 CB GLN A 362 12.441 10.415 -17.822 1.00 55.61 C ATOM 895 CG GLN A 362 13.522 10.331 -16.741 1.00 83.26 C ATOM 896 CD GLN A 362 13.310 11.334 -15.630 1.00111.08 C ATOM 897 OE1 GLN A 362 13.530 12.541 -15.792 1.00109.33 O ATOM 898 NE2 GLN A 362 12.860 10.856 -14.477 1.00104.19 N ATOM 899 HE22 GLN A 362 12.684 9.837 -14.370 1.00 0.00 H ATOM 900 HE21 GLN A 362 12.683 11.501 -13.680 1.00 0.00 H ATOM 901 H GLN A 362 11.804 7.974 -18.095 1.00 0.00 H ATOM 902 N ARG A 363 9.593 10.551 -19.225 1.00 47.41 N ATOM 903 CA ARG A 363 8.533 11.321 -19.890 1.00 46.51 C ATOM 904 C ARG A 363 7.208 11.126 -19.174 1.00 46.65 C ATOM 905 O ARG A 363 6.535 12.106 -18.842 1.00 45.96 O ATOM 906 CB ARG A 363 8.414 10.938 -21.379 1.00 49.94 C ATOM 907 CG ARG A 363 9.662 11.261 -22.191 1.00 69.04 C ATOM 908 CD ARG A 363 9.492 10.961 -23.663 1.00 86.42 C ATOM 909 NE ARG A 363 10.720 11.247 -24.409 1.00102.94 N ATOM 910 CZ ARG A 363 10.833 11.174 -25.731 1.00121.17 C ATOM 911 NH1 ARG A 363 9.790 10.828 -26.476 1.00108.57 N ATOM 912 NH2 ARG A 363 11.988 11.451 -26.320 1.00111.38 N ATOM 913 HE ARG A 363 11.562 11.527 -23.866 1.00 0.00 H ATOM 914 HH12 ARG A 363 9.885 10.773 -27.510 1.00 0.00 H ATOM 915 HH11 ARG A 363 8.878 10.612 -26.025 1.00 0.00 H ATOM 916 HH22 ARG A 363 12.071 11.392 -27.355 1.00 0.00 H ATOM 917 HH21 ARG A 363 12.811 11.727 -25.747 1.00 0.00 H ATOM 918 H ARG A 363 10.096 9.828 -19.777 1.00 0.00 H ATOM 919 N GLU A 364 6.869 9.859 -18.882 1.00 39.98 N ATOM 920 CA GLU A 364 5.654 9.476 -18.178 1.00 37.05 C ATOM 921 C GLU A 364 5.652 10.037 -16.751 1.00 38.08 C ATOM 922 O GLU A 364 4.637 10.591 -16.332 1.00 34.23 O ATOM 923 CB GLU A 364 5.506 7.944 -18.169 1.00 38.17 C ATOM 924 CG GLU A 364 4.131 7.466 -17.738 1.00 42.84 C ATOM 925 CD GLU A 364 4.033 5.956 -17.762 1.00 54.93 C ATOM 926 OE1 GLU A 364 4.625 5.309 -16.868 1.00 41.67 O ATOM 927 OE2 GLU A 364 3.383 5.419 -18.686 1.00 46.91 O ATOM 928 H GLU A 364 7.518 9.102 -19.179 1.00 0.00 H ATOM 929 N ARG A 365 6.789 9.921 -16.034 1.00 36.19 N ATOM 930 CA ARG A 365 6.943 10.438 -14.674 1.00 36.21 C ATOM 931 C ARG A 365 6.700 11.957 -14.612 1.00 38.74 C ATOM 932 O ARG A 365 6.100 12.425 -13.647 1.00 35.15 O ATOM 933 CB ARG A 365 8.325 10.076 -14.092 1.00 39.32 C ATOM 934 CG ARG A 365 8.608 10.587 -12.664 1.00 49.80 C ATOM 935 CD ARG A 365 7.648 10.013 -11.633 1.00 55.83 C ATOM 936 NE ARG A 365 7.450 10.906 -10.489 1.00 58.81 N ATOM 937 CZ ARG A 365 7.994 10.721 -9.291 1.00 72.97 C ATOM 938 NH1 ARG A 365 7.750 11.577 -8.307 1.00 55.61 N ATOM 939 NH2 ARG A 365 8.784 9.678 -9.065 1.00 64.40 N ATOM 940 HE ARG A 365 6.843 11.740 -10.623 1.00 0.00 H ATOM 941 HH12 ARG A 365 8.178 11.429 -7.371 1.00 0.00 H ATOM 942 HH11 ARG A 365 7.131 12.396 -8.472 1.00 0.00 H ATOM 943 HH22 ARG A 365 9.206 9.540 -8.125 1.00 0.00 H ATOM 944 HH21 ARG A 365 8.980 8.999 -9.828 1.00 0.00 H ATOM 945 H ARG A 365 7.600 9.438 -16.472 1.00 0.00 H ATOM 946 N ALA A 366 7.204 12.711 -15.622 1.00 37.62 N ATOM 947 CA ALA A 366 7.072 14.177 -15.727 1.00 37.25 C ATOM 948 C ALA A 366 5.612 14.575 -15.902 1.00 38.64 C ATOM 949 O ALA A 366 5.155 15.539 -15.281 1.00 37.69 O ATOM 950 CB ALA A 366 7.904 14.692 -16.894 1.00 40.08 C ATOM 951 H ALA A 366 7.722 12.219 -16.378 1.00 0.00 H ATOM 952 N GLN A 367 4.874 13.801 -16.724 1.00 32.52 N ATOM 953 CA GLN A 367 3.460 13.976 -16.994 1.00 31.16 C ATOM 954 C GLN A 367 2.688 13.650 -15.707 1.00 30.16 C ATOM 955 O GLN A 367 1.765 14.386 -15.349 1.00 27.68 O ATOM 956 CB GLN A 367 3.065 13.013 -18.118 1.00 33.21 C ATOM 957 CG GLN A 367 1.841 13.393 -18.889 1.00 44.24 C ATOM 958 CD GLN A 367 1.909 12.935 -20.328 1.00 54.73 C ATOM 959 OE1 GLN A 367 2.315 11.808 -20.645 1.00 45.52 O ATOM 960 NE2 GLN A 367 1.490 13.800 -21.231 1.00 42.69 N ATOM 961 HE22 GLN A 367 1.155 14.739 -20.935 1.00 0.00 H ATOM 962 HE21 GLN A 367 1.495 13.543 -22.239 1.00 0.00 H ATOM 963 H GLN A 367 5.358 13.015 -17.203 1.00 0.00 H ATOM 964 N TRP A 368 3.091 12.554 -15.001 1.00 26.44 N ATOM 965 CA TRP A 368 2.454 12.122 -13.748 1.00 25.29 C ATOM 966 C TRP A 368 2.645 13.190 -12.664 1.00 27.97 C ATOM 967 O TRP A 368 1.686 13.537 -11.967 1.00 26.39 O ATOM 968 CB TRP A 368 3.010 10.755 -13.313 1.00 25.05 C ATOM 969 CG TRP A 368 2.318 10.132 -12.134 1.00 24.49 C ATOM 970 CD1 TRP A 368 1.273 9.249 -12.163 1.00 25.65 C ATOM 971 CD2 TRP A 368 2.708 10.251 -10.760 1.00 24.82 C ATOM 972 NE1 TRP A 368 0.990 8.810 -10.892 1.00 24.69 N ATOM 973 CE2 TRP A 368 1.862 9.402 -10.009 1.00 27.34 C ATOM 974 CE3 TRP A 368 3.747 10.932 -10.094 1.00 27.84 C ATOM 975 CZ2 TRP A 368 1.977 9.271 -8.617 1.00 27.46 C ATOM 976 CZ3 TRP A 368 3.854 10.814 -8.714 1.00 29.34 C ATOM 977 CH2 TRP A 368 2.974 10.002 -7.989 1.00 29.16 C ATOM 978 HE1 TRP A 368 0.238 8.138 -10.639 1.00 0.00 H ATOM 979 H TRP A 368 3.889 11.996 -15.367 1.00 0.00 H ATOM 980 N ASP A 369 3.866 13.769 -12.573 1.00 25.78 N ATOM 981 CA ASP A 369 4.133 14.837 -11.617 1.00 25.91 C ATOM 982 C ASP A 369 3.233 16.044 -11.860 1.00 29.26 C ATOM 983 O ASP A 369 2.757 16.632 -10.888 1.00 28.64 O ATOM 984 CB ASP A 369 5.615 15.249 -11.622 1.00 29.41 C ATOM 985 CG ASP A 369 6.547 14.220 -11.001 1.00 36.43 C ATOM 986 OD1 ASP A 369 6.056 13.343 -10.250 1.00 33.04 O ATOM 987 OD2 ASP A 369 7.770 14.309 -11.240 1.00 41.21 O ATOM 988 H ASP A 369 4.630 13.444 -13.199 1.00 0.00 H ATOM 989 N ILE A 370 2.979 16.400 -13.152 1.00 26.37 N ATOM 990 CA ILE A 370 2.080 17.509 -13.515 1.00 25.86 C ATOM 991 C ILE A 370 0.652 17.142 -13.071 1.00 26.82 C ATOM 992 O ILE A 370 -0.035 17.963 -12.454 1.00 26.35 O ATOM 993 CB ILE A 370 2.142 17.872 -15.036 1.00 30.23 C ATOM 994 CG1 ILE A 370 3.541 18.441 -15.435 1.00 33.61 C ATOM 995 CG2 ILE A 370 1.028 18.872 -15.428 1.00 30.32 C ATOM 996 CD1 ILE A 370 3.814 18.403 -16.980 1.00 45.64 C ATOM 997 H ILE A 370 3.441 15.865 -13.915 1.00 0.00 H ATOM 998 N GLY A 371 0.225 15.919 -13.383 1.00 22.86 N ATOM 999 CA GLY A 371 -1.103 15.450 -12.995 1.00 20.34 C ATOM 1000 C GLY A 371 -1.319 15.506 -11.495 1.00 22.67 C ATOM 1001 O GLY A 371 -2.366 15.961 -11.027 1.00 21.82 O ATOM 1002 H GLY A 371 0.852 15.283 -13.916 1.00 0.00 H ATOM 1003 N ILE A 372 -0.305 15.077 -10.731 1.00 22.45 N ATOM 1004 CA ILE A 372 -0.361 15.112 -9.277 1.00 22.38 C ATOM 1005 C ILE A 372 -0.468 16.534 -8.758 1.00 25.47 C ATOM 1006 O ILE A 372 -1.254 16.768 -7.851 1.00 25.42 O ATOM 1007 CB ILE A 372 0.821 14.340 -8.653 1.00 25.94 C ATOM 1008 CG1 ILE A 372 0.672 12.800 -8.887 1.00 25.05 C ATOM 1009 CG2 ILE A 372 0.987 14.692 -7.178 1.00 27.84 C ATOM 1010 CD1 ILE A 372 -0.474 12.097 -8.165 1.00 24.87 C ATOM 1011 H ILE A 372 0.550 14.707 -11.192 1.00 0.00 H ATOM 1012 N ALA A 373 0.327 17.485 -9.314 1.00 24.73 N ATOM 1013 CA ALA A 373 0.255 18.892 -8.912 1.00 25.80 C ATOM 1014 C ALA A 373 -1.184 19.413 -9.087 1.00 26.58 C ATOM 1015 O ALA A 373 -1.697 20.105 -8.207 1.00 25.64 O ATOM 1016 CB ALA A 373 1.236 19.726 -9.738 1.00 28.38 C ATOM 1017 H ALA A 373 1.008 17.205 -10.048 1.00 0.00 H ATOM 1018 N HIS A 374 -1.841 19.071 -10.213 1.00 22.95 N ATOM 1019 CA HIS A 374 -3.228 19.481 -10.447 1.00 21.91 C ATOM 1020 C HIS A 374 -4.158 18.802 -9.427 1.00 24.40 C ATOM 1021 O HIS A 374 -5.021 19.472 -8.851 1.00 23.91 O ATOM 1022 CB HIS A 374 -3.685 19.120 -11.860 1.00 21.51 C ATOM 1023 CG HIS A 374 -3.128 19.992 -12.938 1.00 24.31 C ATOM 1024 ND1 HIS A 374 -3.509 21.313 -13.063 1.00 26.65 N ATOM 1025 CD2 HIS A 374 -2.349 19.664 -13.991 1.00 26.03 C ATOM 1026 CE1 HIS A 374 -2.888 21.770 -14.138 1.00 27.25 C ATOM 1027 NE2 HIS A 374 -2.190 20.811 -14.737 1.00 27.35 N ATOM 1028 H HIS A 374 -1.352 18.502 -10.933 1.00 0.00 H ATOM 1029 N ALA A 375 -3.958 17.494 -9.177 1.00 22.12 N ATOM 1030 CA ALA A 375 -4.804 16.751 -8.234 1.00 21.76 C ATOM 1031 C ALA A 375 -4.716 17.311 -6.814 1.00 25.57 C ATOM 1032 O ALA A 375 -5.736 17.433 -6.134 1.00 25.83 O ATOM 1033 CB ALA A 375 -4.458 15.274 -8.261 1.00 21.15 C ATOM 1034 H ALA A 375 -3.185 16.997 -9.664 1.00 0.00 H ATOM 1035 N GLU A 376 -3.514 17.727 -6.405 1.00 24.69 N ATOM 1036 CA GLU A 376 -3.264 18.310 -5.083 1.00 26.30 C ATOM 1037 C GLU A 376 -3.977 19.649 -4.912 1.00 32.70 C ATOM 1038 O GLU A 376 -4.544 19.910 -3.853 1.00 33.16 O ATOM 1039 CB GLU A 376 -1.758 18.398 -4.814 1.00 28.17 C ATOM 1040 CG GLU A 376 -1.139 17.031 -4.544 1.00 30.98 C ATOM 1041 CD GLU A 376 -1.718 16.306 -3.343 1.00 42.85 C ATOM 1042 OE1 GLU A 376 -1.729 16.895 -2.235 1.00 34.02 O ATOM 1043 OE2 GLU A 376 -2.170 15.151 -3.515 1.00 31.72 O ATOM 1044 H GLU A 376 -2.712 17.632 -7.060 1.00 0.00 H ATOM 1045 N LYS A 377 -4.002 20.464 -5.980 1.00 29.02 N ATOM 1046 CA LYS A 377 -4.725 21.738 -6.013 1.00 29.23 C ATOM 1047 C LYS A 377 -6.231 21.440 -5.937 1.00 29.82 C ATOM 1048 O LYS A 377 -6.946 22.090 -5.181 1.00 28.97 O ATOM 1049 CB LYS A 377 -4.434 22.453 -7.335 1.00 32.82 C ATOM 1050 CG LYS A 377 -3.067 23.122 -7.405 1.00 47.37 C ATOM 1051 CD LYS A 377 -3.178 24.635 -7.588 1.00 59.22 C ATOM 1052 CE LYS A 377 -3.579 25.092 -8.975 1.00 66.94 C ATOM 1053 NZ LYS A 377 -5.054 25.087 -9.172 1.00 76.71 N ATOM 1054 HZ1 LYS A 377 -5.418 24.122 -9.034 1.00 0.00 H ATOM 1055 HZ2 LYS A 377 -5.497 25.727 -8.483 1.00 0.00 H ATOM 1056 HZ3 LYS A 377 -5.275 25.408 -10.136 1.00 0.00 H ATOM 1057 H LYS A 377 -3.479 20.174 -6.831 1.00 0.00 H ATOM 1058 N ALA A 378 -6.702 20.440 -6.721 1.00 25.97 N ATOM 1059 CA ALA A 378 -8.110 20.024 -6.768 1.00 25.47 C ATOM 1060 C ALA A 378 -8.595 19.525 -5.399 1.00 29.88 C ATOM 1061 O ALA A 378 -9.731 19.798 -5.030 1.00 28.97 O ATOM 1062 CB ALA A 378 -8.306 18.941 -7.819 1.00 24.41 C ATOM 1063 H ALA A 378 -6.024 19.936 -7.327 1.00 0.00 H ATOM 1064 N LEU A 379 -7.727 18.821 -4.651 1.00 29.46 N ATOM 1065 CA LEU A 379 -8.034 18.279 -3.317 1.00 31.43 C ATOM 1066 C LEU A 379 -8.439 19.379 -2.309 1.00 36.02 C ATOM 1067 O LEU A 379 -9.283 19.128 -1.445 1.00 36.55 O ATOM 1068 CB LEU A 379 -6.811 17.509 -2.781 1.00 32.87 C ATOM 1069 CG LEU A 379 -6.957 16.047 -2.292 1.00 38.45 C ATOM 1070 CD1 LEU A 379 -5.871 15.721 -1.304 1.00 39.56 C ATOM 1071 CD2 LEU A 379 -8.326 15.738 -1.682 1.00 40.35 C ATOM 1072 H LEU A 379 -6.778 18.648 -5.040 1.00 0.00 H ATOM 1073 N LYS A 380 -7.866 20.600 -2.460 1.00 31.89 N ATOM 1074 CA LYS A 380 -8.097 21.781 -1.613 1.00 33.89 C ATOM 1075 C LYS A 380 -9.372 22.549 -1.985 1.00 37.64 C ATOM 1076 O LYS A 380 -9.738 23.512 -1.302 1.00 38.97 O ATOM 1077 CB LYS A 380 -6.872 22.712 -1.666 1.00 36.59 C ATOM 1078 CG LYS A 380 -5.587 22.091 -1.110 1.00 36.37 C ATOM 1079 CD LYS A 380 -4.430 23.056 -1.271 1.00 47.38 C ATOM 1080 CE LYS A 380 -3.101 22.395 -1.023 1.00 65.18 C ATOM 1081 NZ LYS A 380 -1.976 23.331 -1.279 1.00 79.37 N ATOM 1082 HZ1 LYS A 380 -2.009 23.648 -2.269 1.00 0.00 H ATOM 1083 HZ2 LYS A 380 -2.060 24.153 -0.648 1.00 0.00 H ATOM 1084 HZ3 LYS A 380 -1.074 22.845 -1.099 1.00 0.00 H ATOM 1085 H LYS A 380 -7.199 20.712 -3.250 1.00 0.00 H ATOM 1086 N MET A 381 -10.047 22.121 -3.063 1.00 32.64 N ATOM 1087 CA MET A 381 -11.282 22.729 -3.555 1.00 32.55 C ATOM 1088 C MET A 381 -12.483 21.894 -3.132 1.00 36.46 C ATOM 1089 O MET A 381 -12.340 20.715 -2.803 1.00 35.04 O ATOM 1090 CB MET A 381 -11.272 22.784 -5.109 1.00 33.36 C ATOM 1091 CG MET A 381 -10.094 23.510 -5.713 1.00 37.22 C ATOM 1092 SD MET A 381 -10.260 23.570 -7.503 1.00 40.51 S ATOM 1093 CE MET A 381 -8.681 24.143 -7.946 1.00 37.55 C ATOM 1094 H MET A 381 -9.667 21.304 -3.582 1.00 0.00 H ATOM 1095 N THR A 382 -13.680 22.486 -3.228 1.00 35.31 N ATOM 1096 CA THR A 382 -14.939 21.780 -3.008 1.00 35.21 C ATOM 1097 C THR A 382 -15.231 21.043 -4.337 1.00 38.54 C ATOM 1098 O THR A 382 -14.621 21.368 -5.370 1.00 36.33 O ATOM 1099 CB THR A 382 -16.074 22.783 -2.706 1.00 41.57 C ATOM 1100 OG1 THR A 382 -16.259 23.626 -3.850 1.00 38.98 O ATOM 1101 CG2 THR A 382 -15.820 23.630 -1.442 1.00 41.83 C ATOM 1102 HG1 THR A 382 -16.985 24.274 -3.667 1.00 0.00 H ATOM 1103 H THR A 382 -13.715 23.497 -3.471 1.00 0.00 H ATOM 1104 N ARG A 383 -16.167 20.070 -4.316 1.00 35.29 N ATOM 1105 CA ARG A 383 -16.567 19.329 -5.505 1.00 33.65 C ATOM 1106 C ARG A 383 -17.079 20.308 -6.589 1.00 35.91 C ATOM 1107 O ARG A 383 -16.661 20.191 -7.745 1.00 33.35 O ATOM 1108 CB ARG A 383 -17.610 18.262 -5.141 1.00 37.39 C ATOM 1109 CG ARG A 383 -17.841 17.213 -6.220 1.00 41.38 C ATOM 1110 CD ARG A 383 -18.710 16.060 -5.726 1.00 50.60 C ATOM 1111 NE ARG A 383 -20.066 16.497 -5.379 1.00 57.17 N ATOM 1112 CZ ARG A 383 -21.135 16.408 -6.171 1.00 65.01 C ATOM 1113 NH1 ARG A 383 -22.318 16.833 -5.746 1.00 49.37 N ATOM 1114 NH2 ARG A 383 -21.032 15.880 -7.389 1.00 38.62 N ATOM 1115 HE ARG A 383 -20.206 16.911 -4.435 1.00 0.00 H ATOM 1116 HH12 ARG A 383 -23.150 16.762 -6.366 1.00 0.00 H ATOM 1117 HH11 ARG A 383 -22.414 17.237 -4.792 1.00 0.00 H ATOM 1118 HH22 ARG A 383 -21.871 15.815 -8.000 1.00 0.00 H ATOM 1119 HH21 ARG A 383 -20.113 15.533 -7.729 1.00 0.00 H ATOM 1120 H ARG A 383 -16.623 19.839 -3.410 1.00 0.00 H ATOM 1121 N GLU A 384 -17.906 21.315 -6.203 1.00 33.00 N ATOM 1122 CA GLU A 384 -18.409 22.347 -7.131 1.00 32.44 C ATOM 1123 C GLU A 384 -17.275 23.178 -7.747 1.00 34.18 C ATOM 1124 O GLU A 384 -17.303 23.434 -8.955 1.00 31.71 O ATOM 1125 CB GLU A 384 -19.455 23.271 -6.464 1.00 36.13 C ATOM 1126 CG GLU A 384 -20.833 22.648 -6.352 1.00 48.50 C ATOM 1127 CD GLU A 384 -21.941 23.583 -5.893 1.00 77.61 C ATOM 1128 OE1 GLU A 384 -23.099 23.378 -6.324 1.00 74.79 O ATOM 1129 OE2 GLU A 384 -21.658 24.517 -5.106 1.00 73.01 O ATOM 1130 H GLU A 384 -18.199 21.361 -5.206 1.00 0.00 H ATOM 1131 N GLU A 385 -16.267 23.573 -6.937 1.00 30.91 N ATOM 1132 CA GLU A 385 -15.115 24.343 -7.432 1.00 30.95 C ATOM 1133 C GLU A 385 -14.283 23.528 -8.427 1.00 32.28 C ATOM 1134 O GLU A 385 -13.851 24.073 -9.448 1.00 32.23 O ATOM 1135 CB GLU A 385 -14.209 24.789 -6.281 1.00 33.17 C ATOM 1136 CG GLU A 385 -14.696 26.041 -5.567 1.00 41.26 C ATOM 1137 CD GLU A 385 -14.197 26.187 -4.141 1.00 59.97 C ATOM 1138 OE1 GLU A 385 -14.737 27.053 -3.416 1.00 54.30 O ATOM 1139 OE2 GLU A 385 -13.275 25.437 -3.744 1.00 47.31 O ATOM 1140 H GLU A 385 -16.307 23.324 -5.928 1.00 0.00 H ATOM 1141 N ARG A 386 -14.061 22.229 -8.127 1.00 26.89 N ATOM 1142 CA ARG A 386 -13.304 21.320 -8.992 1.00 24.65 C ATOM 1143 C ARG A 386 -14.005 21.157 -10.326 1.00 25.63 C ATOM 1144 O ARG A 386 -13.351 21.163 -11.361 1.00 23.75 O ATOM 1145 CB ARG A 386 -13.156 19.921 -8.356 1.00 25.21 C ATOM 1146 CG ARG A 386 -12.167 19.860 -7.237 1.00 36.53 C ATOM 1147 CD ARG A 386 -11.855 18.425 -6.899 1.00 33.79 C ATOM 1148 NE ARG A 386 -12.968 17.722 -6.275 1.00 38.44 N ATOM 1149 CZ ARG A 386 -13.108 17.546 -4.969 1.00 51.82 C ATOM 1150 NH1 ARG A 386 -12.227 18.067 -4.122 1.00 39.88 N ATOM 1151 NH2 ARG A 386 -14.140 16.868 -4.494 1.00 41.69 N ATOM 1152 HE ARG A 386 -13.704 17.331 -6.898 1.00 0.00 H ATOM 1153 HH12 ARG A 386 -12.343 17.925 -3.098 1.00 0.00 H ATOM 1154 HH11 ARG A 386 -11.421 18.617 -4.483 1.00 0.00 H ATOM 1155 HH22 ARG A 386 -14.246 16.733 -3.468 1.00 0.00 H ATOM 1156 HH21 ARG A 386 -14.846 16.470 -5.146 1.00 0.00 H ATOM 1157 H ARG A 386 -14.447 21.855 -7.237 1.00 0.00 H ATOM 1158 N ILE A 387 -15.337 20.965 -10.299 1.00 23.67 N ATOM 1159 CA ILE A 387 -16.114 20.802 -11.538 1.00 23.92 C ATOM 1160 C ILE A 387 -15.915 22.023 -12.456 1.00 27.87 C ATOM 1161 O ILE A 387 -15.617 21.862 -13.638 1.00 25.50 O ATOM 1162 CB ILE A 387 -17.598 20.467 -11.225 1.00 27.66 C ATOM 1163 CG1 ILE A 387 -17.720 19.061 -10.591 1.00 26.94 C ATOM 1164 CG2 ILE A 387 -18.465 20.567 -12.479 1.00 29.64 C ATOM 1165 CD1 ILE A 387 -19.079 18.792 -9.879 1.00 29.46 C ATOM 1166 H ILE A 387 -15.828 20.931 -9.383 1.00 0.00 H ATOM 1167 N GLU A 388 -15.997 23.237 -11.891 1.00 25.30 N ATOM 1168 CA GLU A 388 -15.809 24.474 -12.642 1.00 26.61 C ATOM 1169 C GLU A 388 -14.386 24.611 -13.181 1.00 30.81 C ATOM 1170 O GLU A 388 -14.199 24.985 -14.346 1.00 30.42 O ATOM 1171 CB GLU A 388 -16.192 25.686 -11.767 1.00 29.32 C ATOM 1172 CG GLU A 388 -16.019 27.059 -12.429 1.00 40.41 C ATOM 1173 CD GLU A 388 -16.852 27.379 -13.664 1.00 59.24 C ATOM 1174 OE1 GLU A 388 -17.913 26.744 -13.866 1.00 47.68 O ATOM 1175 OE2 GLU A 388 -16.440 28.278 -14.431 1.00 51.48 O ATOM 1176 H GLU A 388 -16.204 23.299 -10.874 1.00 0.00 H ATOM 1177 N GLN A 389 -13.393 24.318 -12.334 1.00 26.53 N ATOM 1178 CA GLN A 389 -11.990 24.478 -12.675 1.00 27.71 C ATOM 1179 C GLN A 389 -11.475 23.473 -13.712 1.00 29.70 C ATOM 1180 O GLN A 389 -10.664 23.856 -14.567 1.00 29.96 O ATOM 1181 CB GLN A 389 -11.133 24.385 -11.395 1.00 29.43 C ATOM 1182 CG GLN A 389 -9.632 24.608 -11.618 1.00 40.74 C ATOM 1183 CD GLN A 389 -9.116 25.990 -11.276 1.00 55.05 C ATOM 1184 OE1 GLN A 389 -9.849 26.894 -10.858 1.00 46.43 O ATOM 1185 NE2 GLN A 389 -7.819 26.173 -11.453 1.00 46.52 N ATOM 1186 HE22 GLN A 389 -7.227 25.394 -11.806 1.00 0.00 H ATOM 1187 HE21 GLN A 389 -7.390 27.096 -11.239 1.00 0.00 H ATOM 1188 H GLN A 389 -13.636 23.959 -11.389 1.00 0.00 H ATOM 1189 N TYR A 390 -11.925 22.206 -13.633 1.00 23.76 N ATOM 1190 CA TYR A 390 -11.317 21.141 -14.419 1.00 23.06 C ATOM 1191 C TYR A 390 -12.164 20.456 -15.487 1.00 24.85 C ATOM 1192 O TYR A 390 -11.570 19.816 -16.349 1.00 23.43 O ATOM 1193 CB TYR A 390 -10.759 20.071 -13.463 1.00 23.31 C ATOM 1194 CG TYR A 390 -9.683 20.617 -12.543 1.00 25.25 C ATOM 1195 CD1 TYR A 390 -8.414 20.931 -13.028 1.00 26.84 C ATOM 1196 CD2 TYR A 390 -9.951 20.873 -11.202 1.00 26.59 C ATOM 1197 CE1 TYR A 390 -7.436 21.481 -12.195 1.00 27.07 C ATOM 1198 CE2 TYR A 390 -8.983 21.419 -10.360 1.00 28.62 C ATOM 1199 CZ TYR A 390 -7.726 21.722 -10.862 1.00 34.65 C ATOM 1200 OH TYR A 390 -6.774 22.256 -10.025 1.00 36.50 O ATOM 1201 HH TYR A 390 -5.940 22.413 -10.534 1.00 0.00 H ATOM 1202 H TYR A 390 -12.720 21.984 -13.000 1.00 0.00 H ATOM 1203 N THR A 391 -13.507 20.571 -15.484 1.00 22.49 N ATOM 1204 CA THR A 391 -14.249 19.850 -16.525 1.00 21.28 C ATOM 1205 C THR A 391 -13.847 20.252 -17.937 1.00 24.50 C ATOM 1206 O THR A 391 -13.903 21.429 -18.291 1.00 24.77 O ATOM 1207 CB THR A 391 -15.771 19.974 -16.338 1.00 25.10 C ATOM 1208 OG1 THR A 391 -16.080 19.606 -15.003 1.00 24.76 O ATOM 1209 CG2 THR A 391 -16.534 19.077 -17.295 1.00 22.64 C ATOM 1210 HG1 THR A 391 -15.608 20.211 -14.377 1.00 0.00 H ATOM 1211 H THR A 391 -13.998 21.148 -14.772 1.00 0.00 H ATOM 1212 N PHE A 392 -13.464 19.259 -18.752 1.00 21.61 N ATOM 1213 CA PHE A 392 -13.052 19.517 -20.124 1.00 22.40 C ATOM 1214 C PHE A 392 -14.130 20.115 -20.999 1.00 27.50 C ATOM 1215 O PHE A 392 -15.315 19.890 -20.773 1.00 25.33 O ATOM 1216 CB PHE A 392 -12.591 18.215 -20.785 1.00 22.72 C ATOM 1217 CG PHE A 392 -11.398 17.530 -20.165 1.00 22.57 C ATOM 1218 CD1 PHE A 392 -10.399 18.267 -19.533 1.00 25.14 C ATOM 1219 CD2 PHE A 392 -11.241 16.154 -20.268 1.00 23.87 C ATOM 1220 CE1 PHE A 392 -9.264 17.630 -19.003 1.00 24.83 C ATOM 1221 CE2 PHE A 392 -10.117 15.517 -19.718 1.00 24.37 C ATOM 1222 CZ PHE A 392 -9.139 16.262 -19.096 1.00 22.20 C ATOM 1223 H PHE A 392 -13.461 18.282 -18.396 1.00 0.00 H ATOM 1224 N ILE A 393 -13.685 20.857 -22.034 1.00 26.69 N ATOM 1225 CA ILE A 393 -14.481 21.413 -23.119 1.00 29.92 C ATOM 1226 C ILE A 393 -14.253 20.444 -24.260 1.00 34.09 C ATOM 1227 O ILE A 393 -13.101 20.123 -24.573 1.00 34.59 O ATOM 1228 CB ILE A 393 -14.010 22.845 -23.528 1.00 35.76 C ATOM 1229 CG1 ILE A 393 -13.879 23.801 -22.313 1.00 37.21 C ATOM 1230 CG2 ILE A 393 -14.899 23.441 -24.640 1.00 39.47 C ATOM 1231 CD1 ILE A 393 -15.079 23.971 -21.477 1.00 47.44 C ATOM 1232 H ILE A 393 -12.664 21.053 -22.060 1.00 0.00 H ATOM 1233 N TYR A 394 -15.332 19.950 -24.853 1.00 31.05 N ATOM 1234 CA TYR A 394 -15.242 19.018 -25.967 1.00 32.38 C ATOM 1235 C TYR A 394 -15.650 19.729 -27.251 1.00 40.23 C ATOM 1236 O TYR A 394 -16.705 20.356 -27.288 1.00 40.47 O ATOM 1237 CB TYR A 394 -16.129 17.790 -25.717 1.00 32.86 C ATOM 1238 CG TYR A 394 -15.632 16.937 -24.575 1.00 31.22 C ATOM 1239 CD1 TYR A 394 -14.672 15.950 -24.783 1.00 33.01 C ATOM 1240 CD2 TYR A 394 -16.079 17.151 -23.274 1.00 30.55 C ATOM 1241 CE1 TYR A 394 -14.180 15.188 -23.726 1.00 31.71 C ATOM 1242 CE2 TYR A 394 -15.612 16.378 -22.214 1.00 28.69 C ATOM 1243 CZ TYR A 394 -14.667 15.393 -22.445 1.00 31.24 C ATOM 1244 OH TYR A 394 -14.217 14.616 -21.407 1.00 28.40 O ATOM 1245 HH TYR A 394 -13.798 15.194 -20.721 1.00 0.00 H ATOM 1246 H TYR A 394 -16.271 20.238 -24.511 1.00 0.00 H ATOM 1247 N ILE A 395 -14.801 19.646 -28.279 1.00 39.64 N ATOM 1248 CA ILE A 395 -15.011 20.270 -29.593 1.00 42.81 C ATOM 1249 C ILE A 395 -15.157 19.172 -30.637 1.00 49.54 C ATOM 1250 O ILE A 395 -14.243 18.363 -30.810 1.00 48.81 O ATOM 1251 CB ILE A 395 -13.855 21.259 -29.959 1.00 46.89 C ATOM 1252 CG1 ILE A 395 -13.492 22.225 -28.786 1.00 46.50 C ATOM 1253 CG2 ILE A 395 -14.139 22.026 -31.274 1.00 50.34 C ATOM 1254 CD1 ILE A 395 -14.559 23.289 -28.373 1.00 60.25 C ATOM 1255 H ILE A 395 -13.927 19.100 -28.139 1.00 0.00 H ATOM 1256 N ASP A 396 -16.305 19.143 -31.322 1.00 50.44 N ATOM 1257 CA ASP A 396 -16.594 18.189 -32.402 1.00 53.32 C ATOM 1258 C ASP A 396 -15.637 18.455 -33.573 1.00 61.39 C ATOM 1259 O ASP A 396 -15.439 19.622 -33.939 1.00 62.56 O ATOM 1260 CB ASP A 396 -18.043 18.362 -32.911 1.00 57.61 C ATOM 1261 CG ASP A 396 -19.107 18.397 -31.831 1.00 72.71 C ATOM 1262 OD1 ASP A 396 -19.140 19.384 -31.059 1.00 73.42 O ATOM 1263 OD2 ASP A 396 -19.918 17.449 -31.768 1.00 80.56 O ATOM 1264 H ASP A 396 -17.038 19.838 -31.075 1.00 0.00 H ATOM 1265 N LYS A 397 -15.060 17.388 -34.155 1.00 58.62 N ATOM 1266 CA LYS A 397 -14.153 17.492 -35.302 1.00 60.78 C ATOM 1267 C LYS A 397 -14.976 17.772 -36.564 1.00 67.86 C ATOM 1268 O LYS A 397 -15.863 16.986 -36.909 1.00 68.16 O ATOM 1269 CB LYS A 397 -13.298 16.218 -35.451 1.00 62.57 C ATOM 1270 CG LYS A 397 -12.284 16.025 -34.328 1.00 73.90 C ATOM 1271 CD LYS A 397 -11.573 14.686 -34.429 1.00 84.45 C ATOM 1272 CE LYS A 397 -10.571 14.494 -33.317 1.00 93.94 C ATOM 1273 NZ LYS A 397 -9.821 13.219 -33.467 1.00103.26 N ATOM 1274 HZ1 LYS A 397 -10.488 12.421 -33.449 1.00 0.00 H ATOM 1275 HZ2 LYS A 397 -9.309 13.224 -34.372 1.00 0.00 H ATOM 1276 HZ3 LYS A 397 -9.143 13.123 -32.685 1.00 0.00 H ATOM 1277 H LYS A 397 -15.268 16.443 -33.773 1.00 0.00 H ATOM 1278 N GLN A 398 -14.715 18.918 -37.218 1.00 66.61 N ATOM 1279 CA GLN A 398 -15.447 19.353 -38.414 1.00 86.73 C ATOM 1280 C GLN A 398 -14.868 18.792 -39.712 1.00119.45 C ATOM 1281 O GLN A 398 -13.658 18.816 -39.917 1.00 83.85 O ATOM 1282 CB GLN A 398 -15.562 20.894 -38.473 1.00 89.55 C ATOM 1283 CG GLN A 398 -15.649 21.622 -37.118 1.00 94.09 C ATOM 1284 CD GLN A 398 -17.018 21.577 -36.480 1.00108.24 C ATOM 1285 OE1 GLN A 398 -17.795 22.533 -36.556 1.00105.93 O ATOM 1286 NE2 GLN A 398 -17.341 20.477 -35.815 1.00 94.70 N ATOM 1287 HE22 GLN A 398 -16.670 19.684 -35.764 1.00 0.00 H ATOM 1288 HE21 GLN A 398 -18.265 20.407 -35.344 1.00 0.00 H ATOM 1289 H GLN A 398 -13.954 19.528 -36.857 1.00 0.00 H TER 1290 GLN A 398 HETATM 1291 O HOH 1 -9.116 10.931 -24.339 1.00 32.13 O HETATM 1292 O HOH 2 5.865 3.419 -9.968 1.00 44.38 O HETATM 1293 O HOH 3 -5.263 15.799 -25.556 1.00 40.33 O HETATM 1294 O HOH 4 -25.620 4.928 -15.819 1.00 41.81 O HETATM 1295 O HOH 5 -19.087 24.416 -13.293 1.00 45.10 O HETATM 1296 O HOH 6 -9.961 1.980 -19.145 1.00 42.94 O HETATM 1297 O HOH 7 -15.184 15.182 -18.980 1.00 21.31 O HETATM 1298 O HOH 8 -0.146 21.557 -6.576 1.00 36.17 O HETATM 1299 O HOH 9 -4.616 23.087 -11.386 1.00 37.94 O HETATM 1300 O HOH 10 -15.650 14.617 -3.950 1.00 38.45 O HETATM 1301 O HOH 11 -17.604 21.224 -20.279 1.00 38.15 O HETATM 1302 O HOH 12 -17.799 22.814 -27.481 1.00 46.50 O HETATM 1303 O HOH 13 3.260 -3.506 -6.942 1.00 42.20 O HETATM 1304 O HOH 14 4.173 2.645 -16.888 1.00 44.84 O HETATM 1305 O HOH 15 -1.679 21.149 -23.188 1.00 50.80 O HETATM 1306 O HOH 16 -3.560 18.943 -1.522 1.00 32.06 O HETATM 1307 O HOH 17 2.079 7.112 2.262 1.00 51.14 O HETATM 1308 O HOH 18 -17.723 16.164 -18.850 1.00 24.74 O HETATM 1309 O HOH 19 -19.334 24.049 -10.647 1.00 42.60 O HETATM 1310 O HOH 20 2.438 3.285 -20.524 1.00 63.43 O HETATM 1311 O HOH 21 -23.015 -1.678 -21.933 1.00 41.24 O HETATM 1312 O HOH 22 -15.901 23.266 -18.478 1.00 32.68 O HETATM 1313 O HOH 23 -18.402 25.190 -3.246 1.00 45.94 O HETATM 1314 O HOH 24 -16.578 1.079 -22.036 1.00 48.52 O HETATM 1315 O HOH 25 -1.740 15.255 -0.060 1.00 37.73 O HETATM 1316 O HOH 26 -13.615 1.173 -6.727 1.00 51.58 O HETATM 1317 O HOH 27 -19.334 -4.398 -11.537 1.00 48.34 O HETATM 1318 O HOH 28 -4.129 13.528 -26.566 1.00 53.23 O HETATM 1319 O HOH 29 -10.764 12.667 -1.434 1.00 50.11 O HETATM 1320 O HOH 30 2.168 -0.726 -13.316 1.00 43.93 O HETATM 1321 O HOH 31 3.538 9.710 -4.411 1.00 42.14 O HETATM 1322 O HOH 32 0.331 18.621 -1.737 1.00 40.80 O HETATM 1323 O HOH 33 -5.764 16.869 -17.947 1.00 26.39 O HETATM 1324 O HOH 34 -1.001 21.399 -17.133 1.00 36.14 O HETATM 1325 O HOH 35 7.239 1.310 -9.023 1.00 40.08 O HETATM 1326 O HOH 36 -4.605 2.491 -22.179 1.00 38.35 O HETATM 1327 O HOH 37 -13.251 10.551 -4.187 1.00 31.55 O HETATM 1328 O HOH 38 -3.957 14.628 1.370 1.00 45.19 O HETATM 1329 O HOH 39 -1.079 -1.770 -7.747 1.00 39.19 O HETATM 1330 O HOH 40 -7.890 4.245 -22.018 1.00 42.82 O HETATM 1331 O HOH 41 -11.651 3.826 -2.939 1.00 41.44 O HETATM 1332 O HOH 42 6.880 17.498 -14.320 1.00 42.15 O HETATM 1333 O HOH 43 -19.269 -9.112 -15.177 1.00 46.55 O HETATM 1334 O HOH 44 -22.794 23.951 -2.598 1.00 50.52 O HETATM 1335 O HOH 45 -8.392 0.224 -16.664 1.00 78.10 O HETATM 1336 O HOH 46 12.491 -2.505 2.145 1.00 50.89 O HETATM 1337 O HOH 47 10.761 12.726 -14.695 1.00 51.86 O HETATM 1338 O HOH 48 -6.852 -1.620 -18.354 1.00 41.14 O HETATM 1339 O HOH 49 -6.003 24.704 -13.035 1.00 46.46 O HETATM 1340 O HOH 50 -24.351 9.019 -14.433 1.00 44.73 O HETATM 1341 O HOH 51 3.812 16.738 -8.270 1.00 36.32 O HETATM 1342 O HOH 52 -15.849 -1.865 -21.691 1.00 45.85 O HETATM 1343 O HOH 53 1.247 2.204 -10.466 1.00 26.86 O HETATM 1344 O HOH 54 -17.863 15.620 -28.481 1.00 48.78 O HETATM 1345 O HOH 55 -3.604 4.469 -15.288 1.00 23.42 O HETATM 1346 O HOH 56 -16.861 16.971 -14.271 1.00 29.89 O HETATM 1347 O HOH 57 -10.013 6.317 -23.483 1.00 52.93 O HETATM 1348 O HOH 58 -2.292 -1.284 0.584 1.00 45.58 O HETATM 1349 O HOH 59 -10.883 -0.673 -17.034 1.00 35.79 O HETATM 1350 O HOH 60 -8.346 23.057 -16.041 1.00 30.95 O HETATM 1351 O HOH 61 6.290 -1.368 -8.876 1.00 36.68 O HETATM 1352 O HOH 62 -8.879 20.471 -17.103 1.00 26.78 O HETATM 1353 O HOH 63 -15.758 -7.722 -13.400 1.00 51.50 O HETATM 1354 O HOH 64 10.219 2.821 -9.104 1.00 48.53 O HETATM 1355 O HOH 65 -13.136 13.568 -4.079 1.00 29.41 O HETATM 1356 O HOH 66 -18.862 16.314 -16.121 1.00 24.45 O HETATM 1357 O HOH 67 -18.024 20.642 -23.955 1.00 50.84 O HETATM 1358 O HOH 68 -22.862 23.753 -9.212 1.00 54.52 O HETATM 1359 O HOH 69 -22.695 12.795 -10.171 1.00 34.31 O HETATM 1360 O HOH 70 -23.663 15.556 -19.288 1.00 53.37 O HETATM 1361 O HOH 71 -2.208 4.413 -24.793 1.00 55.05 O HETATM 1362 O HOH 72 -0.553 12.799 0.366 1.00 36.56 O HETATM 1363 O HOH 73 -15.634 -6.010 -17.470 1.00 54.42 O HETATM 1364 O HOH 74 -21.316 2.595 -23.865 1.00 55.76 O HETATM 1365 O HOH 75 -12.391 4.554 -22.687 1.00 39.67 O HETATM 1366 O HOH 76 -8.949 16.684 -14.967 1.00 22.26 O HETATM 1367 O HOH 77 -18.718 6.763 -24.880 1.00 57.53 O HETATM 1368 O HOH 78 -5.554 20.413 -15.090 1.00 45.52 O HETATM 1369 O HOH 79 -14.823 27.412 -16.837 1.00 50.98 O HETATM 1370 O HOH 80 -2.258 1.080 -22.238 1.00 39.59 O HETATM 1371 O HOH 81 -27.047 1.958 -12.367 1.00 46.27 O HETATM 1372 O HOH 82 -26.448 6.832 -21.488 1.00 50.28 O HETATM 1373 O HOH 83 1.645 -0.474 -10.685 1.00 48.40 O HETATM 1374 O HOH 84 4.809 14.253 -7.496 1.00 51.15 O HETATM 1375 O HOH 85 -18.874 -1.411 -22.688 1.00 46.42 O HETATM 1376 O HOH 86 2.226 16.592 1.176 1.00 68.46 O HETATM 1377 O HOH 87 -1.496 22.546 -4.310 1.00 50.17 O HETATM 1378 O HOH 88 -19.376 28.528 -11.606 1.00 46.72 O HETATM 1379 O HOH 89 6.941 14.592 2.753 1.00 47.93 O HETATM 1380 O HOH 90 -26.416 8.941 -25.994 1.00 59.01 O HETATM 1381 O HOH 91 -19.314 26.874 -5.611 1.00 60.73 O HETATM 1382 O HOH 92 -20.916 9.123 -3.897 1.00 58.05 O HETATM 1383 O HOH 93 -19.306 20.745 -3.139 1.00 56.66 O HETATM 1384 O HOH 94 -17.970 26.743 -7.988 1.00 48.87 O HETATM 1385 O HOH 95 4.284 19.842 -11.212 1.00 45.93 O HETATM 1386 O HOH 96 -20.107 23.241 -2.118 1.00 40.91 O HETATM 1387 O HOH 97 6.679 7.006 -7.793 1.00 58.85 O HETATM 1388 O HOH 98 15.402 -8.618 -2.652 1.00 58.93 O HETATM 1389 O HOH 99 -16.044 6.630 -25.442 1.00 51.74 O HETATM 1390 O HOH 100 4.939 7.629 -9.805 1.00 47.98 O HETATM 1391 O HOH 101 -26.104 6.989 -14.116 1.00 42.53 O HETATM 1392 O HOH 102 -6.554 -4.093 -19.482 1.00 51.14 O HETATM 1393 O HOH 103 -20.113 26.406 -9.651 1.00 41.20 O HETATM 1394 O HOH 104 4.386 12.362 -5.461 1.00 60.22 O HETATM 1395 O HOH 105 -7.216 18.451 -16.203 1.00 27.19 O HETATM 1396 O HOH 106 -14.260 2.081 -23.060 1.00 59.94 O HETATM 1397 O HOH 107 5.063 7.457 -12.482 1.00 57.85 O HETATM 1398 O HOH 108 -4.071 -1.968 -22.878 1.00 43.09 O HETATM 1399 C4 EHK A 109 -4.837 5.790 -20.530 1.00 0.21 C HETATM 1400 C3 EHK A 109 -4.242 6.019 -19.246 1.00 0.07 C HETATM 1401 C2 EHK A 109 -3.556 7.148 -18.947 1.00 -0.02 C HETATM 1402 C8 EHK A 109 -3.486 8.168 -19.999 1.00 0.06 C HETATM 1403 N7 EHK A 109 -4.028 7.988 -21.170 1.00 -0.24 N HETATM 1404 N6 EHK A 109 -4.688 6.812 -21.449 1.00 -0.18 N HETATM 1405 C15 EHK A 109 -5.301 6.761 -22.795 1.00 0.08 C HETATM 1406 C20 EHK A 109 -6.485 7.724 -22.877 1.00 0.01 C HETATM 1407 C19 EHK A 109 -7.085 7.711 -24.270 1.00 -0.03 C HETATM 1408 N18 EHK A 109 -6.045 8.031 -25.289 1.00 0.23 N HETATM 1409 C17 EHK A 109 -4.907 7.068 -25.244 1.00 -0.03 C HETATM 1410 C16 EHK A 109 -4.262 7.072 -23.871 1.00 0.01 C HETATM 1411 H16 EHK A 109 -3.469 6.310 -23.841 1.00 0.03 H HETATM 1412 H17 EHK A 109 -3.826 8.063 -23.678 1.00 0.03 H HETATM 1413 H4 EHK A 109 -5.279 6.057 -25.466 1.00 0.08 H HETATM 1414 H5 EHK A 109 -4.159 7.357 -25.997 1.00 0.08 H HETATM 1415 H18 EHK A 109 -6.465 7.997 -26.205 1.00 0.20 H HETATM 1416 H19 EHK A 109 -5.693 8.960 -25.115 1.00 0.20 H HETATM 1417 H20 EHK A 109 -7.888 8.460 -24.325 1.00 0.08 H HETATM 1418 H21 EHK A 109 -7.499 6.713 -24.477 1.00 0.08 H HETATM 1419 H6 EHK A 109 -6.141 8.742 -22.641 1.00 0.03 H HETATM 1420 H7 EHK A 109 -7.252 7.418 -22.150 1.00 0.03 H HETATM 1421 H3 EHK A 109 -5.676 5.741 -22.965 1.00 0.06 H HETATM 1422 H13 EHK A 109 -3.963 8.725 -21.887 1.00 0.19 H HETATM 1423 C9 EHK A 109 -2.823 9.480 -19.820 1.00 -0.00 C HETATM 1424 C10 EHK A 109 -1.456 9.577 -19.582 1.00 -0.04 C HETATM 1425 C11 EHK A 109 -0.880 10.833 -19.516 1.00 -0.00 C HETATM 1426 N12 EHK A 109 -1.570 11.972 -19.650 1.00 -0.31 N HETATM 1427 C13 EHK A 109 -2.872 11.863 -19.937 1.00 -0.00 C HETATM 1428 C14 EHK A 109 -3.539 10.655 -20.020 1.00 -0.04 C HETATM 1429 H15 EHK A 109 -4.601 10.624 -20.237 1.00 0.06 H HETATM 1430 H2 EHK A 109 -3.435 12.772 -20.114 1.00 0.08 H HETATM 1431 H14 EHK A 109 0.189 10.898 -19.346 1.00 0.08 H HETATM 1432 H1 EHK A 109 -0.854 8.685 -19.451 1.00 0.06 H HETATM 1433 C1 EHK A 109 -2.994 7.354 -17.566 1.00 -0.03 C HETATM 1434 H8 EHK A 109 -3.168 6.452 -16.961 1.00 0.04 H HETATM 1435 H9 EHK A 109 -3.490 8.214 -17.093 1.00 0.04 H HETATM 1436 H10 EHK A 109 -1.913 7.547 -17.635 1.00 0.04 H HETATM 1437 H11 EHK A 109 -3.543 5.186 -19.082 1.00 0.07 H HETATM 1438 H12 EHK A 109 -5.062 5.959 -18.515 1.00 0.07 H HETATM 1439 O5 EHK A 109 -5.423 4.758 -20.849 1.00 -0.39 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 805 806 817 818 819 CONECT 817 805 CONECT 818 805 CONECT 819 805 CONECT 1399 1400 1404 1439 CONECT 1400 1399 1401 1437 1438 CONECT 1401 1400 1402 1433 CONECT 1402 1401 1403 1423 CONECT 1403 1402 1404 1422 CONECT 1404 1399 1403 1405 CONECT 1405 1404 1406 1410 1421 CONECT 1406 1405 1407 1419 1420 CONECT 1407 1406 1408 1417 1418 CONECT 1408 1407 1409 1415 1416 CONECT 1409 1408 1410 1413 1414 CONECT 1410 1405 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1409 CONECT 1414 1409 CONECT 1415 1408 CONECT 1416 1408 CONECT 1417 1407 CONECT 1418 1407 CONECT 1419 1406 CONECT 1420 1406 CONECT 1421 1405 CONECT 1422 1403 CONECT 1423 1402 1424 1428 CONECT 1424 1423 1425 1432 CONECT 1425 1424 1426 1431 CONECT 1426 1425 1427 CONECT 1427 1426 1428 1430 CONECT 1428 1423 1427 1429 CONECT 1429 1428 CONECT 1430 1427 CONECT 1431 1425 CONECT 1432 1424 CONECT 1433 1401 1434 1435 1436 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1433 CONECT 1437 1400 CONECT 1438 1400 CONECT 1439 1399 MASTER 0 0 0 0 0 0 0 0 1437 2 49 10 END
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Related entries of code: 6g29
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
136aa, >6G2O_1|Chain... at 100%
6g2f
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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%
6g27
RCSB PDB
PDBbind
136aa, >6G27_1|Chain... at 100%
6g25
RCSB PDB
PDBbind
136aa, >6G25_1|Chain... at 100%
6g24
RCSB PDB
PDBbind
136aa, >6G24_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6g29
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EHK
EC.Number
E.C.2.1.1.43
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=47uM
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
5
H
2
1
N
4
O
Molecular Weight
273.353
Exact Mass
273.172
No. of atoms
41
No. of bonds
43
Polar Surface Area
61.84
LOGP Value
0.75 (
Computed with XLOGP3
)
2.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
O=C1CC(=C(NN1C1CC[NH2+]CC1)c1ccncc1)C
InChI String
InChI=1S/C15H20N4O/c1-11-10-14(20)19(13-4-8-17-9-5-13)18-15(11)12-2-6-16-7-3-12/h2-3,6-7,13,17-18H,4-5,8-10H2,1H3/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9BZ95
Entrez Gene ID
NCBI Entrez Gene ID:
54904
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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