Browse entries in the PDBbind-CN Database
HEADER 6G2O_COMPLEX COMPND 6G2O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 VAL LYS PHE GLN VAL GLY ASP LEU VAL TRP SER LYS VAL SEQRES 2 A 77 GLY THR TYR PRO TRP TRP PRO CYS MET VAL SER SER ASP SEQRES 3 A 77 PRO GLN LEU GLU VAL HIS THR LYS ILE ASN THR ARG GLY SEQRES 4 A 77 ALA ARG GLU TYR HIS VAL GLN PHE PHE SER ASN GLN PRO SEQRES 5 A 77 GLU ARG ALA TRP VAL HIS GLU LYS ARG VAL ARG GLU TYR SEQRES 6 A 77 LYS GLY HIS LYS GLN TYR GLU GLU LEU LEU ALA GLU SEQRES 1 A 43 GLN LYS ILE ARG LYS PRO ARG PRO GLN ARG GLU ARG ALA SEQRES 2 A 43 GLN TRP ASP ILE GLY ILE ALA HIS ALA GLU LYS ALA LEU SEQRES 3 A 43 LYS MET THR ARG GLU GLU ARG ILE GLU GLN TYR THR PHE SEQRES 4 A 43 ILE TYR ILE ASP HET EJE A 217 49 ATOM 1 N VAL A 266 -23.896 2.467 -7.003 1.00 45.20 N ATOM 2 CA VAL A 266 -23.088 3.642 -7.335 1.00 42.66 C ATOM 3 C VAL A 266 -22.299 4.084 -6.087 1.00 46.38 C ATOM 4 O VAL A 266 -22.894 4.577 -5.124 1.00 48.81 O ATOM 5 CB VAL A 266 -23.941 4.798 -7.939 1.00 46.84 C ATOM 6 CG1 VAL A 266 -23.052 5.931 -8.441 1.00 44.28 C ATOM 7 CG2 VAL A 266 -24.850 4.297 -9.060 1.00 47.89 C ATOM 8 HN3 VAL A 266 -24.558 2.708 -6.238 1.00 0.00 H ATOM 9 HN2 VAL A 266 -23.272 1.695 -6.693 1.00 0.00 H ATOM 10 HN1 VAL A 266 -24.430 2.166 -7.843 1.00 0.00 H ATOM 11 N LYS A 267 -20.969 3.886 -6.105 1.00 39.50 N ATOM 12 CA LYS A 267 -20.067 4.228 -4.996 1.00 37.79 C ATOM 13 C LYS A 267 -19.397 5.604 -5.154 1.00 38.27 C ATOM 14 O LYS A 267 -19.024 6.221 -4.155 1.00 38.43 O ATOM 15 CB LYS A 267 -19.017 3.124 -4.791 1.00 39.65 C ATOM 16 CG LYS A 267 -19.598 1.864 -4.153 1.00 58.09 C ATOM 17 CD LYS A 267 -18.579 0.745 -4.040 1.00 70.28 C ATOM 18 CE LYS A 267 -19.230 -0.541 -3.588 1.00 84.06 C ATOM 19 NZ LYS A 267 -18.270 -1.675 -3.591 1.00 94.93 N ATOM 20 HZ1 LYS A 267 -17.903 -1.815 -4.554 1.00 0.00 H ATOM 21 HZ2 LYS A 267 -17.482 -1.462 -2.946 1.00 0.00 H ATOM 22 HZ3 LYS A 267 -18.755 -2.539 -3.275 1.00 0.00 H ATOM 23 H LYS A 267 -20.552 3.464 -6.959 1.00 0.00 H ATOM 24 N PHE A 268 -19.221 6.067 -6.398 1.00 31.52 N ATOM 25 CA PHE A 268 -18.608 7.366 -6.663 1.00 28.41 C ATOM 26 C PHE A 268 -19.560 8.310 -7.366 1.00 30.80 C ATOM 27 O PHE A 268 -20.430 7.869 -8.107 1.00 31.30 O ATOM 28 CB PHE A 268 -17.274 7.226 -7.450 1.00 27.82 C ATOM 29 CG PHE A 268 -16.232 6.406 -6.723 1.00 28.34 C ATOM 30 CD1 PHE A 268 -15.538 6.935 -5.638 1.00 30.80 C ATOM 31 CD2 PHE A 268 -15.957 5.102 -7.111 1.00 29.72 C ATOM 32 CE1 PHE A 268 -14.573 6.177 -4.967 1.00 31.21 C ATOM 33 CE2 PHE A 268 -15.008 4.337 -6.424 1.00 33.38 C ATOM 34 CZ PHE A 268 -14.321 4.884 -5.357 1.00 31.16 C ATOM 35 H PHE A 268 -19.531 5.483 -7.201 1.00 0.00 H ATOM 36 N GLN A 269 -19.408 9.608 -7.124 1.00 27.47 N ATOM 37 CA GLN A 269 -20.223 10.621 -7.778 1.00 28.14 C ATOM 38 C GLN A 269 -19.346 11.587 -8.578 1.00 29.41 C ATOM 39 O GLN A 269 -18.125 11.637 -8.380 1.00 25.87 O ATOM 40 CB GLN A 269 -21.090 11.387 -6.755 1.00 31.20 C ATOM 41 CG GLN A 269 -22.037 10.500 -5.916 1.00 43.15 C ATOM 42 CD GLN A 269 -23.070 9.704 -6.698 1.00 67.39 C ATOM 43 OE1 GLN A 269 -23.547 10.098 -7.772 1.00 61.07 O ATOM 44 NE2 GLN A 269 -23.457 8.562 -6.149 1.00 65.66 N ATOM 45 HE22 GLN A 269 -23.042 8.252 -5.247 1.00 0.00 H ATOM 46 HE21 GLN A 269 -24.175 7.976 -6.620 1.00 0.00 H ATOM 47 H GLN A 269 -18.682 9.910 -6.444 1.00 0.00 H ATOM 48 N VAL A 270 -19.972 12.360 -9.481 1.00 27.04 N ATOM 49 CA VAL A 270 -19.281 13.383 -10.283 1.00 25.19 C ATOM 50 C VAL A 270 -18.471 14.297 -9.320 1.00 28.41 C ATOM 51 O VAL A 270 -18.982 14.684 -8.258 1.00 28.21 O ATOM 52 CB VAL A 270 -20.301 14.210 -11.131 1.00 29.80 C ATOM 53 CG1 VAL A 270 -19.630 15.406 -11.812 1.00 28.72 C ATOM 54 CG2 VAL A 270 -20.997 13.341 -12.167 1.00 30.48 C ATOM 55 H VAL A 270 -20.994 12.229 -9.620 1.00 0.00 H ATOM 56 N GLY A 271 -17.217 14.577 -9.684 1.00 23.62 N ATOM 57 CA GLY A 271 -16.322 15.409 -8.892 1.00 23.23 C ATOM 58 C GLY A 271 -15.536 14.661 -7.839 1.00 24.48 C ATOM 59 O GLY A 271 -14.619 15.228 -7.257 1.00 23.86 O ATOM 60 H GLY A 271 -16.862 14.181 -10.578 1.00 0.00 H ATOM 61 N ASP A 272 -15.851 13.383 -7.585 1.00 21.31 N ATOM 62 CA ASP A 272 -15.034 12.621 -6.641 1.00 20.78 C ATOM 63 C ASP A 272 -13.609 12.462 -7.187 1.00 24.11 C ATOM 64 O ASP A 272 -13.424 12.290 -8.399 1.00 22.22 O ATOM 65 CB ASP A 272 -15.619 11.223 -6.372 1.00 21.70 C ATOM 66 CG ASP A 272 -16.716 11.194 -5.319 1.00 28.13 C ATOM 67 OD1 ASP A 272 -16.918 12.230 -4.628 1.00 30.65 O ATOM 68 OD2 ASP A 272 -17.377 10.157 -5.192 1.00 32.57 O ATOM 69 H ASP A 272 -16.666 12.939 -8.053 1.00 0.00 H ATOM 70 N LEU A 273 -12.609 12.541 -6.288 1.00 20.55 N ATOM 71 CA LEU A 273 -11.223 12.305 -6.675 1.00 20.05 C ATOM 72 C LEU A 273 -10.987 10.835 -6.477 1.00 22.52 C ATOM 73 O LEU A 273 -11.375 10.268 -5.441 1.00 22.46 O ATOM 74 CB LEU A 273 -10.249 13.125 -5.808 1.00 20.59 C ATOM 75 CG LEU A 273 -10.343 14.635 -5.978 1.00 25.59 C ATOM 76 CD1 LEU A 273 -9.426 15.305 -5.005 1.00 27.86 C ATOM 77 CD2 LEU A 273 -9.947 15.052 -7.401 1.00 26.45 C ATOM 78 H LEU A 273 -12.830 12.775 -5.299 1.00 0.00 H ATOM 79 N VAL A 274 -10.384 10.204 -7.482 1.00 18.03 N ATOM 80 CA VAL A 274 -10.099 8.774 -7.467 1.00 18.00 C ATOM 81 C VAL A 274 -8.743 8.475 -8.070 1.00 21.87 C ATOM 82 O VAL A 274 -8.198 9.291 -8.819 1.00 21.08 O ATOM 83 CB VAL A 274 -11.211 7.907 -8.169 1.00 21.27 C ATOM 84 CG1 VAL A 274 -12.575 8.000 -7.477 1.00 21.58 C ATOM 85 CG2 VAL A 274 -11.317 8.175 -9.682 1.00 20.31 C ATOM 86 H VAL A 274 -10.103 10.757 -8.317 1.00 0.00 H ATOM 87 N TRP A 275 -8.203 7.285 -7.754 1.00 20.11 N ATOM 88 CA TRP A 275 -7.012 6.720 -8.399 1.00 19.34 C ATOM 89 C TRP A 275 -7.590 5.717 -9.386 1.00 22.82 C ATOM 90 O TRP A 275 -8.514 4.970 -9.027 1.00 22.69 O ATOM 91 CB TRP A 275 -6.155 5.916 -7.413 1.00 18.45 C ATOM 92 CG TRP A 275 -5.431 6.697 -6.370 1.00 19.76 C ATOM 93 CD1 TRP A 275 -5.804 6.870 -5.070 1.00 23.73 C ATOM 94 CD2 TRP A 275 -4.131 7.293 -6.502 1.00 19.88 C ATOM 95 NE1 TRP A 275 -4.820 7.544 -4.380 1.00 24.73 N ATOM 96 CE2 TRP A 275 -3.765 7.784 -5.228 1.00 25.30 C ATOM 97 CE3 TRP A 275 -3.223 7.432 -7.570 1.00 20.58 C ATOM 98 CZ2 TRP A 275 -2.540 8.424 -4.995 1.00 24.31 C ATOM 99 CZ3 TRP A 275 -2.009 8.069 -7.338 1.00 22.68 C ATOM 100 CH2 TRP A 275 -1.680 8.556 -6.063 1.00 23.95 C ATOM 101 HE1 TRP A 275 -4.868 7.825 -3.380 1.00 0.00 H ATOM 102 H TRP A 275 -8.659 6.728 -7.003 1.00 0.00 H ATOM 103 N SER A 276 -7.044 5.660 -10.603 1.00 19.27 N ATOM 104 CA SER A 276 -7.495 4.679 -11.598 1.00 18.90 C ATOM 105 C SER A 276 -6.293 3.902 -12.108 1.00 22.15 C ATOM 106 O SER A 276 -5.241 4.499 -12.383 1.00 22.13 O ATOM 107 CB SER A 276 -8.198 5.354 -12.777 1.00 18.37 C ATOM 108 OG SER A 276 -9.249 6.214 -12.363 1.00 21.58 O ATOM 109 HG SER A 276 -9.671 6.625 -13.159 1.00 0.00 H ATOM 110 H SER A 276 -6.283 6.324 -10.851 1.00 0.00 H ATOM 111 N LYS A 277 -6.463 2.577 -12.241 1.00 20.66 N ATOM 112 CA LYS A 277 -5.448 1.643 -12.755 1.00 21.73 C ATOM 113 C LYS A 277 -5.878 1.173 -14.142 1.00 25.48 C ATOM 114 O LYS A 277 -6.796 0.361 -14.264 1.00 24.63 O ATOM 115 CB LYS A 277 -5.249 0.464 -11.777 1.00 24.66 C ATOM 116 CG LYS A 277 -4.054 -0.438 -12.115 1.00 28.23 C ATOM 117 CD LYS A 277 -2.692 0.243 -11.888 1.00 28.56 C ATOM 118 CE LYS A 277 -1.521 -0.655 -12.233 1.00 35.98 C ATOM 119 NZ LYS A 277 -1.385 -0.851 -13.707 1.00 34.88 N ATOM 120 HZ1 LYS A 277 -2.252 -1.288 -14.079 1.00 0.00 H ATOM 121 HZ2 LYS A 277 -1.236 0.070 -14.166 1.00 0.00 H ATOM 122 HZ3 LYS A 277 -0.573 -1.471 -13.900 1.00 0.00 H ATOM 123 H LYS A 277 -7.382 2.180 -11.959 1.00 0.00 H ATOM 124 N VAL A 278 -5.265 1.743 -15.187 1.00 22.65 N ATOM 125 CA VAL A 278 -5.632 1.467 -16.582 1.00 23.85 C ATOM 126 C VAL A 278 -4.407 1.045 -17.392 1.00 28.61 C ATOM 127 O VAL A 278 -3.407 1.761 -17.416 1.00 27.97 O ATOM 128 CB VAL A 278 -6.335 2.695 -17.245 1.00 26.80 C ATOM 129 CG1 VAL A 278 -6.703 2.404 -18.702 1.00 27.99 C ATOM 130 CG2 VAL A 278 -7.563 3.152 -16.447 1.00 25.80 C ATOM 131 H VAL A 278 -4.492 2.413 -15.002 1.00 0.00 H ATOM 132 N GLY A 279 -4.553 -0.070 -18.109 1.00 26.46 N ATOM 133 CA GLY A 279 -3.543 -0.660 -18.979 1.00 27.59 C ATOM 134 C GLY A 279 -2.181 -0.852 -18.347 1.00 29.61 C ATOM 135 O GLY A 279 -2.060 -1.397 -17.248 1.00 29.20 O ATOM 136 H GLY A 279 -5.467 -0.561 -18.042 1.00 0.00 H ATOM 137 N THR A 280 -1.153 -0.333 -19.016 1.00 26.29 N ATOM 138 CA THR A 280 0.247 -0.462 -18.600 1.00 26.17 C ATOM 139 C THR A 280 0.708 0.664 -17.664 1.00 28.13 C ATOM 140 O THR A 280 1.878 0.725 -17.288 1.00 28.10 O ATOM 141 CB THR A 280 1.141 -0.532 -19.859 1.00 33.84 C ATOM 142 OG1 THR A 280 0.993 0.684 -20.594 1.00 33.50 O ATOM 143 CG2 THR A 280 0.814 -1.726 -20.749 1.00 30.42 C ATOM 144 HG1 THR A 280 0.046 0.795 -20.859 1.00 0.00 H ATOM 145 H THR A 280 -1.356 0.197 -19.888 1.00 0.00 H ATOM 146 N TYR A 281 -0.212 1.534 -17.283 1.00 23.62 N ATOM 147 CA TYR A 281 0.090 2.716 -16.494 1.00 23.48 C ATOM 148 C TYR A 281 -0.120 2.547 -14.979 1.00 25.68 C ATOM 149 O TYR A 281 -0.996 1.795 -14.554 1.00 23.00 O ATOM 150 CB TYR A 281 -0.712 3.910 -17.055 1.00 24.54 C ATOM 151 CG TYR A 281 -0.406 4.136 -18.522 1.00 27.79 C ATOM 152 CD1 TYR A 281 0.815 4.675 -18.925 1.00 30.90 C ATOM 153 CD2 TYR A 281 -1.286 3.708 -19.510 1.00 29.02 C ATOM 154 CE1 TYR A 281 1.129 4.830 -20.275 1.00 33.63 C ATOM 155 CE2 TYR A 281 -0.983 3.856 -20.865 1.00 31.47 C ATOM 156 CZ TYR A 281 0.222 4.428 -21.243 1.00 40.51 C ATOM 157 OH TYR A 281 0.516 4.591 -22.577 1.00 43.69 O ATOM 158 HH TYR A 281 1.408 5.011 -22.668 1.00 0.00 H ATOM 159 H TYR A 281 -1.199 1.364 -17.562 1.00 0.00 H ATOM 160 N PRO A 282 0.715 3.214 -14.150 1.00 24.39 N ATOM 161 CA PRO A 282 0.535 3.115 -12.696 1.00 24.15 C ATOM 162 C PRO A 282 -0.770 3.778 -12.227 1.00 23.78 C ATOM 163 O PRO A 282 -1.417 4.515 -12.994 1.00 20.90 O ATOM 164 CB PRO A 282 1.753 3.885 -12.144 1.00 27.29 C ATOM 165 CG PRO A 282 2.072 4.883 -13.187 1.00 31.98 C ATOM 166 CD PRO A 282 1.809 4.152 -14.486 1.00 27.70 C ATOM 167 N TRP A 283 -1.170 3.485 -10.978 1.00 21.16 N ATOM 168 CA TRP A 283 -2.347 4.094 -10.349 1.00 20.16 C ATOM 169 C TRP A 283 -2.231 5.602 -10.562 1.00 22.42 C ATOM 170 O TRP A 283 -1.201 6.203 -10.222 1.00 22.43 O ATOM 171 CB TRP A 283 -2.391 3.736 -8.867 1.00 19.95 C ATOM 172 CG TRP A 283 -2.839 2.337 -8.602 1.00 22.15 C ATOM 173 CD1 TRP A 283 -2.048 1.252 -8.335 1.00 26.01 C ATOM 174 CD2 TRP A 283 -4.198 1.879 -8.520 1.00 21.67 C ATOM 175 NE1 TRP A 283 -2.831 0.141 -8.118 1.00 26.16 N ATOM 176 CE2 TRP A 283 -4.156 0.500 -8.217 1.00 26.49 C ATOM 177 CE3 TRP A 283 -5.453 2.504 -8.691 1.00 22.03 C ATOM 178 CZ2 TRP A 283 -5.318 -0.269 -8.067 1.00 26.04 C ATOM 179 CZ3 TRP A 283 -6.605 1.737 -8.550 1.00 23.92 C ATOM 180 CH2 TRP A 283 -6.530 0.368 -8.235 1.00 25.61 C ATOM 181 HE1 TRP A 283 -2.478 -0.816 -7.912 1.00 0.00 H ATOM 182 H TRP A 283 -0.619 2.793 -10.431 1.00 0.00 H ATOM 183 N TRP A 284 -3.235 6.184 -11.251 1.00 17.97 N ATOM 184 CA TRP A 284 -3.187 7.576 -11.687 1.00 19.38 C ATOM 185 C TRP A 284 -4.257 8.454 -11.049 1.00 20.08 C ATOM 186 O TRP A 284 -5.422 8.028 -10.993 1.00 19.35 O ATOM 187 CB TRP A 284 -3.316 7.615 -13.221 1.00 19.16 C ATOM 188 CG TRP A 284 -2.621 8.779 -13.853 1.00 20.68 C ATOM 189 CD1 TRP A 284 -3.100 10.051 -13.973 1.00 23.49 C ATOM 190 CD2 TRP A 284 -1.304 8.789 -14.438 1.00 21.39 C ATOM 191 NE1 TRP A 284 -2.169 10.850 -14.588 1.00 23.56 N ATOM 192 CE2 TRP A 284 -1.058 10.106 -14.886 1.00 25.03 C ATOM 193 CE3 TRP A 284 -0.308 7.807 -14.634 1.00 23.26 C ATOM 194 CZ2 TRP A 284 0.142 10.477 -15.515 1.00 25.86 C ATOM 195 CZ3 TRP A 284 0.874 8.170 -15.268 1.00 25.71 C ATOM 196 CH2 TRP A 284 1.097 9.492 -15.692 1.00 26.55 C ATOM 197 HE1 TRP A 284 -2.288 11.862 -14.795 1.00 0.00 H ATOM 198 H TRP A 284 -4.077 5.618 -11.480 1.00 0.00 H ATOM 199 N PRO A 285 -3.911 9.705 -10.635 1.00 17.57 N ATOM 200 CA PRO A 285 -4.940 10.594 -10.074 1.00 16.86 C ATOM 201 C PRO A 285 -5.956 11.032 -11.143 1.00 19.04 C ATOM 202 O PRO A 285 -5.603 11.482 -12.249 1.00 17.50 O ATOM 203 CB PRO A 285 -4.135 11.781 -9.545 1.00 19.18 C ATOM 204 CG PRO A 285 -2.892 11.828 -10.421 1.00 23.40 C ATOM 205 CD PRO A 285 -2.581 10.368 -10.659 1.00 19.77 C ATOM 206 N CYS A 286 -7.228 10.905 -10.781 1.00 17.25 N ATOM 207 CA CYS A 286 -8.381 11.186 -11.636 1.00 16.82 C ATOM 208 C CYS A 286 -9.474 11.951 -10.881 1.00 22.02 C ATOM 209 O CYS A 286 -9.450 12.039 -9.655 1.00 20.99 O ATOM 210 CB CYS A 286 -8.946 9.863 -12.157 1.00 17.34 C ATOM 211 SG CYS A 286 -7.833 8.954 -13.252 1.00 20.69 S ATOM 212 H CYS A 286 -7.419 10.580 -9.812 1.00 0.00 H ATOM 213 N MET A 287 -10.499 12.388 -11.637 1.00 19.00 N ATOM 214 CA MET A 287 -11.735 12.978 -11.128 1.00 17.44 C ATOM 215 C MET A 287 -12.874 12.337 -11.888 1.00 19.69 C ATOM 216 O MET A 287 -12.833 12.289 -13.109 1.00 18.56 O ATOM 217 CB MET A 287 -11.776 14.505 -11.288 1.00 18.74 C ATOM 218 CG MET A 287 -13.061 15.101 -10.684 1.00 21.88 C ATOM 219 SD MET A 287 -13.217 16.886 -10.884 1.00 25.86 S ATOM 220 CE MET A 287 -13.696 16.975 -12.585 1.00 23.54 C ATOM 221 H MET A 287 -10.403 12.298 -12.669 1.00 0.00 H ATOM 222 N VAL A 288 -13.874 11.807 -11.157 1.00 17.36 N ATOM 223 CA VAL A 288 -15.059 11.187 -11.753 1.00 18.02 C ATOM 224 C VAL A 288 -15.871 12.297 -12.450 1.00 22.11 C ATOM 225 O VAL A 288 -16.043 13.391 -11.904 1.00 20.99 O ATOM 226 CB VAL A 288 -15.911 10.412 -10.686 1.00 22.08 C ATOM 227 CG1 VAL A 288 -17.183 9.824 -11.302 1.00 22.27 C ATOM 228 CG2 VAL A 288 -15.099 9.313 -10.003 1.00 21.33 C ATOM 229 H VAL A 288 -13.801 11.840 -10.120 1.00 0.00 H ATOM 230 N SER A 289 -16.358 12.010 -13.652 1.00 19.00 N ATOM 231 CA SER A 289 -17.110 12.986 -14.419 1.00 19.93 C ATOM 232 C SER A 289 -18.171 12.322 -15.261 1.00 24.51 C ATOM 233 O SER A 289 -18.136 11.108 -15.477 1.00 25.30 O ATOM 234 CB SER A 289 -16.165 13.791 -15.313 1.00 21.04 C ATOM 235 OG SER A 289 -15.661 12.961 -16.346 1.00 24.72 O ATOM 236 HG SER A 289 -15.050 13.486 -16.921 1.00 0.00 H ATOM 237 H SER A 289 -16.197 11.064 -14.053 1.00 0.00 H ATOM 238 N SER A 290 -19.106 13.123 -15.764 1.00 23.69 N ATOM 239 CA SER A 290 -20.165 12.589 -16.621 1.00 25.11 C ATOM 240 C SER A 290 -19.638 12.424 -18.048 1.00 29.94 C ATOM 241 O SER A 290 -19.002 13.333 -18.571 1.00 29.86 O ATOM 242 CB SER A 290 -21.386 13.500 -16.581 1.00 29.02 C ATOM 243 OG SER A 290 -22.485 12.822 -17.161 1.00 41.51 O ATOM 244 HG SER A 290 -23.282 13.408 -17.138 1.00 0.00 H ATOM 245 H SER A 290 -19.084 14.140 -15.546 1.00 0.00 H ATOM 246 N ASP A 291 -19.817 11.231 -18.646 1.00 26.69 N ATOM 247 CA ASP A 291 -19.397 10.992 -20.030 1.00 27.30 C ATOM 248 C ASP A 291 -20.180 12.004 -20.920 1.00 32.79 C ATOM 249 O ASP A 291 -21.386 12.142 -20.732 1.00 32.32 O ATOM 250 CB ASP A 291 -19.729 9.547 -20.451 1.00 29.56 C ATOM 251 CG ASP A 291 -19.279 9.200 -21.860 1.00 42.33 C ATOM 252 OD1 ASP A 291 -19.871 9.730 -22.819 1.00 44.36 O ATOM 253 OD2 ASP A 291 -18.349 8.387 -22.001 1.00 49.54 O ATOM 254 H ASP A 291 -20.265 10.459 -18.112 1.00 0.00 H ATOM 255 N PRO A 292 -19.525 12.751 -21.838 1.00 32.40 N ATOM 256 CA PRO A 292 -20.262 13.774 -22.616 1.00 35.10 C ATOM 257 C PRO A 292 -21.320 13.219 -23.568 1.00 41.55 C ATOM 258 O PRO A 292 -22.320 13.889 -23.818 1.00 42.84 O ATOM 259 CB PRO A 292 -19.152 14.513 -23.365 1.00 36.96 C ATOM 260 CG PRO A 292 -18.041 13.522 -23.463 1.00 40.14 C ATOM 261 CD PRO A 292 -18.086 12.760 -22.172 1.00 34.10 C ATOM 262 N GLN A 293 -21.107 11.995 -24.083 1.00 39.60 N ATOM 263 CA GLN A 293 -22.052 11.340 -24.997 1.00 41.35 C ATOM 264 C GLN A 293 -23.220 10.700 -24.258 1.00 44.36 C ATOM 265 O GLN A 293 -24.366 11.010 -24.568 1.00 46.07 O ATOM 266 CB GLN A 293 -21.335 10.295 -25.870 1.00 42.77 C ATOM 267 CG GLN A 293 -20.887 10.823 -27.232 1.00 64.63 C ATOM 268 CD GLN A 293 -19.809 11.876 -27.142 1.00 84.87 C ATOM 269 OE1 GLN A 293 -18.684 11.625 -26.690 1.00 79.54 O ATOM 270 NE2 GLN A 293 -20.138 13.079 -27.576 1.00 78.94 N ATOM 271 HE22 GLN A 293 -21.093 13.254 -27.949 1.00 0.00 H ATOM 272 HE21 GLN A 293 -19.442 13.851 -27.544 1.00 0.00 H ATOM 273 H GLN A 293 -20.236 11.490 -23.823 1.00 0.00 H ATOM 274 N LEU A 294 -22.930 9.820 -23.276 1.00 38.14 N ATOM 275 CA LEU A 294 -23.946 9.080 -22.515 1.00 38.02 C ATOM 276 C LEU A 294 -24.616 9.867 -21.391 1.00 39.22 C ATOM 277 O LEU A 294 -25.678 9.450 -20.917 1.00 39.75 O ATOM 278 CB LEU A 294 -23.344 7.777 -21.966 1.00 37.19 C ATOM 279 CG LEU A 294 -22.806 6.787 -22.995 1.00 42.96 C ATOM 280 CD1 LEU A 294 -22.054 5.653 -22.312 1.00 41.98 C ATOM 281 CD2 LEU A 294 -23.933 6.248 -23.899 1.00 47.28 C ATOM 282 H LEU A 294 -21.929 9.656 -23.045 1.00 0.00 H ATOM 283 N GLU A 295 -23.971 10.973 -20.933 1.00 33.94 N ATOM 284 CA GLU A 295 -24.458 11.890 -19.885 1.00 34.05 C ATOM 285 C GLU A 295 -24.708 11.177 -18.554 1.00 38.48 C ATOM 286 O GLU A 295 -25.659 11.491 -17.822 1.00 39.90 O ATOM 287 CB GLU A 295 -25.685 12.701 -20.363 1.00 37.74 C ATOM 288 CG GLU A 295 -25.351 13.615 -21.529 1.00 46.47 C ATOM 289 CD GLU A 295 -26.499 14.441 -22.078 1.00 61.05 C ATOM 290 OE1 GLU A 295 -27.607 13.888 -22.271 1.00 52.92 O ATOM 291 OE2 GLU A 295 -26.277 15.646 -22.334 1.00 48.51 O ATOM 292 H GLU A 295 -23.049 11.193 -21.361 1.00 0.00 H ATOM 293 N VAL A 296 -23.814 10.214 -18.248 1.00 33.22 N ATOM 294 CA VAL A 296 -23.786 9.435 -17.007 1.00 31.66 C ATOM 295 C VAL A 296 -22.331 9.321 -16.564 1.00 31.63 C ATOM 296 O VAL A 296 -21.425 9.316 -17.404 1.00 29.78 O ATOM 297 CB VAL A 296 -24.454 8.031 -17.105 1.00 36.33 C ATOM 298 CG1 VAL A 296 -25.976 8.136 -17.236 1.00 38.77 C ATOM 299 CG2 VAL A 296 -23.847 7.187 -18.230 1.00 35.88 C ATOM 300 H VAL A 296 -23.080 10.006 -18.955 1.00 0.00 H ATOM 301 N HIS A 297 -22.108 9.199 -15.263 1.00 27.62 N ATOM 302 CA HIS A 297 -20.739 9.084 -14.752 1.00 24.76 C ATOM 303 C HIS A 297 -20.434 7.621 -14.401 1.00 27.74 C ATOM 304 O HIS A 297 -19.302 7.291 -14.037 1.00 26.87 O ATOM 305 CB HIS A 297 -20.562 9.999 -13.535 1.00 24.79 C ATOM 306 CG HIS A 297 -21.219 9.470 -12.307 1.00 28.98 C ATOM 307 ND1 HIS A 297 -22.578 9.602 -12.108 1.00 32.86 N ATOM 308 CD2 HIS A 297 -20.684 8.792 -11.265 1.00 30.09 C ATOM 309 CE1 HIS A 297 -22.833 8.993 -10.961 1.00 32.87 C ATOM 310 NE2 HIS A 297 -21.721 8.502 -10.411 1.00 31.51 N ATOM 311 H HIS A 297 -22.910 9.185 -14.601 1.00 0.00 H ATOM 312 N THR A 298 -21.469 6.780 -14.450 1.00 26.74 N ATOM 313 CA THR A 298 -21.400 5.348 -14.154 1.00 26.51 C ATOM 314 C THR A 298 -22.326 4.559 -15.092 1.00 32.34 C ATOM 315 O THR A 298 -23.334 5.083 -15.576 1.00 32.26 O ATOM 316 CB THR A 298 -21.618 5.066 -12.656 1.00 30.18 C ATOM 317 OG1 THR A 298 -21.306 3.697 -12.388 1.00 32.32 O ATOM 318 CG2 THR A 298 -23.039 5.399 -12.175 1.00 31.06 C ATOM 319 HG1 THR A 298 -20.361 3.522 -12.626 1.00 0.00 H ATOM 320 H THR A 298 -22.394 7.171 -14.719 1.00 0.00 H ATOM 321 N LYS A 299 -21.939 3.313 -15.393 1.00 29.67 N ATOM 322 CA LYS A 299 -22.730 2.410 -16.240 1.00 32.10 C ATOM 323 C LYS A 299 -22.357 0.958 -15.942 1.00 34.30 C ATOM 324 O LYS A 299 -21.321 0.681 -15.338 1.00 32.40 O ATOM 325 CB LYS A 299 -22.509 2.718 -17.742 1.00 34.95 C ATOM 326 CG LYS A 299 -21.149 2.282 -18.293 1.00 38.51 C ATOM 327 CD LYS A 299 -21.006 2.564 -19.780 1.00 50.34 C ATOM 328 CE LYS A 299 -19.699 2.005 -20.291 1.00 61.98 C ATOM 329 NZ LYS A 299 -19.462 2.328 -21.720 1.00 72.39 N ATOM 330 HZ1 LYS A 299 -20.229 1.927 -22.297 1.00 0.00 H ATOM 331 HZ2 LYS A 299 -19.438 3.361 -21.841 1.00 0.00 H ATOM 332 HZ3 LYS A 299 -18.553 1.922 -22.020 1.00 0.00 H ATOM 333 H LYS A 299 -21.036 2.968 -15.009 1.00 0.00 H ATOM 334 N ILE A 300 -23.176 0.038 -16.417 1.00 32.71 N ATOM 335 CA ILE A 300 -22.869 -1.379 -16.306 1.00 32.44 C ATOM 336 C ILE A 300 -22.402 -1.745 -17.709 1.00 34.99 C ATOM 337 O ILE A 300 -23.108 -1.463 -18.676 1.00 34.65 O ATOM 338 CB ILE A 300 -24.094 -2.215 -15.827 1.00 37.50 C ATOM 339 CG1 ILE A 300 -24.650 -1.732 -14.455 1.00 38.96 C ATOM 340 CG2 ILE A 300 -23.787 -3.720 -15.818 1.00 37.24 C ATOM 341 CD1 ILE A 300 -23.702 -1.890 -13.213 1.00 47.45 C ATOM 342 H ILE A 300 -24.059 0.333 -16.880 1.00 0.00 H ATOM 343 N ASN A 301 -21.206 -2.326 -17.816 1.00 30.18 N ATOM 344 CA ASN A 301 -20.599 -2.719 -19.088 1.00 31.73 C ATOM 345 C ASN A 301 -21.220 -4.008 -19.699 1.00 37.98 C ATOM 346 O ASN A 301 -22.119 -4.611 -19.096 1.00 37.35 O ATOM 347 CB ASN A 301 -19.061 -2.825 -18.926 1.00 33.18 C ATOM 348 CG ASN A 301 -18.553 -3.943 -18.034 1.00 44.91 C ATOM 349 OD1 ASN A 301 -19.254 -4.912 -17.717 1.00 34.76 O ATOM 350 ND2 ASN A 301 -17.290 -3.849 -17.643 1.00 35.08 N ATOM 351 HD22 ASN A 301 -16.719 -3.025 -17.921 1.00 0.00 H ATOM 352 HD21 ASN A 301 -16.870 -4.599 -17.058 1.00 0.00 H ATOM 353 H ASN A 301 -20.673 -2.511 -16.942 1.00 0.00 H ATOM 354 N THR A 302 -20.721 -4.442 -20.885 1.00 36.60 N ATOM 355 CA THR A 302 -21.223 -5.627 -21.595 1.00 39.43 C ATOM 356 C THR A 302 -20.927 -6.947 -20.866 1.00 41.64 C ATOM 357 O THR A 302 -21.434 -7.976 -21.276 1.00 42.35 O ATOM 358 CB THR A 302 -20.750 -5.675 -23.059 1.00 53.93 C ATOM 359 OG1 THR A 302 -19.327 -5.600 -23.105 1.00 55.97 O ATOM 360 CG2 THR A 302 -21.379 -4.590 -23.921 1.00 53.52 C ATOM 361 HG1 THR A 302 -19.026 -5.631 -24.048 1.00 0.00 H ATOM 362 H THR A 302 -19.940 -3.906 -21.315 1.00 0.00 H ATOM 363 N ARG A 303 -20.141 -6.909 -19.775 1.00 37.24 N ATOM 364 CA ARG A 303 -19.817 -8.101 -18.979 1.00 37.86 C ATOM 365 C ARG A 303 -20.557 -8.073 -17.632 1.00 42.10 C ATOM 366 O ARG A 303 -20.394 -8.979 -16.819 1.00 43.94 O ATOM 367 CB ARG A 303 -18.290 -8.229 -18.792 1.00 38.79 C ATOM 368 CG ARG A 303 -17.576 -8.746 -20.035 1.00 53.72 C ATOM 369 CD ARG A 303 -16.083 -8.861 -19.821 1.00 72.68 C ATOM 370 NE ARG A 303 -15.384 -9.196 -21.064 1.00 91.82 N ATOM 371 CZ ARG A 303 -14.062 -9.242 -21.197 1.00108.46 C ATOM 372 NH1 ARG A 303 -13.273 -8.974 -20.163 1.00 94.72 N ATOM 373 NH2 ARG A 303 -13.517 -9.552 -22.366 1.00 97.27 N ATOM 374 HE ARG A 303 -15.962 -9.413 -21.901 1.00 0.00 H ATOM 375 HH12 ARG A 303 -12.240 -9.012 -20.274 1.00 0.00 H ATOM 376 HH11 ARG A 303 -13.688 -8.726 -19.242 1.00 0.00 H ATOM 377 HH22 ARG A 303 -12.482 -9.587 -22.465 1.00 0.00 H ATOM 378 HH21 ARG A 303 -14.124 -9.760 -23.184 1.00 0.00 H ATOM 379 H ARG A 303 -19.744 -5.994 -19.481 1.00 0.00 H ATOM 380 N GLY A 304 -21.373 -7.043 -17.419 1.00 37.37 N ATOM 381 CA GLY A 304 -22.178 -6.900 -16.211 1.00 38.04 C ATOM 382 C GLY A 304 -21.479 -6.271 -15.023 1.00 39.90 C ATOM 383 O GLY A 304 -21.999 -6.315 -13.907 1.00 40.34 O ATOM 384 H GLY A 304 -21.440 -6.305 -18.149 1.00 0.00 H ATOM 385 N ALA A 305 -20.315 -5.658 -15.252 1.00 34.31 N ATOM 386 CA ALA A 305 -19.556 -5.004 -14.196 1.00 32.93 C ATOM 387 C ALA A 305 -19.812 -3.504 -14.216 1.00 34.92 C ATOM 388 O ALA A 305 -19.983 -2.914 -15.288 1.00 34.22 O ATOM 389 CB ALA A 305 -18.065 -5.272 -14.380 1.00 32.21 C ATOM 390 H ALA A 305 -19.937 -5.647 -16.221 1.00 0.00 H ATOM 391 N ARG A 306 -19.788 -2.878 -13.035 1.00 30.46 N ATOM 392 CA ARG A 306 -19.946 -1.421 -12.937 1.00 28.92 C ATOM 393 C ARG A 306 -18.640 -0.755 -13.354 1.00 29.75 C ATOM 394 O ARG A 306 -17.567 -1.219 -12.972 1.00 28.36 O ATOM 395 CB ARG A 306 -20.368 -0.972 -11.519 1.00 29.46 C ATOM 396 CG ARG A 306 -20.489 0.565 -11.370 1.00 31.59 C ATOM 397 CD ARG A 306 -21.377 1.036 -10.219 1.00 39.15 C ATOM 398 NE ARG A 306 -22.721 0.452 -10.235 1.00 43.67 N ATOM 399 CZ ARG A 306 -23.741 0.894 -10.967 1.00 52.98 C ATOM 400 NH1 ARG A 306 -24.919 0.294 -10.903 1.00 45.16 N ATOM 401 NH2 ARG A 306 -23.580 1.918 -11.796 1.00 38.02 N ATOM 402 HE ARG A 306 -22.891 -0.374 -9.626 1.00 0.00 H ATOM 403 HH12 ARG A 306 -25.713 0.644 -11.477 1.00 0.00 H ATOM 404 HH11 ARG A 306 -25.051 -0.527 -10.279 1.00 0.00 H ATOM 405 HH22 ARG A 306 -24.382 2.258 -12.365 1.00 0.00 H ATOM 406 HH21 ARG A 306 -22.652 2.381 -11.877 1.00 0.00 H ATOM 407 H ARG A 306 -19.655 -3.435 -12.167 1.00 0.00 H ATOM 408 N GLU A 307 -18.756 0.324 -14.149 1.00 25.97 N ATOM 409 CA GLU A 307 -17.653 1.165 -14.609 1.00 25.03 C ATOM 410 C GLU A 307 -17.941 2.615 -14.254 1.00 28.01 C ATOM 411 O GLU A 307 -19.110 3.006 -14.147 1.00 28.90 O ATOM 412 CB GLU A 307 -17.457 1.043 -16.125 1.00 26.35 C ATOM 413 CG GLU A 307 -16.772 -0.238 -16.567 1.00 30.14 C ATOM 414 CD GLU A 307 -16.583 -0.381 -18.065 1.00 41.56 C ATOM 415 OE1 GLU A 307 -17.097 0.474 -18.822 1.00 36.43 O ATOM 416 OE2 GLU A 307 -15.946 -1.372 -18.486 1.00 37.54 O ATOM 417 H GLU A 307 -19.713 0.582 -14.463 1.00 0.00 H ATOM 418 N TYR A 308 -16.884 3.398 -14.053 1.00 22.20 N ATOM 419 CA TYR A 308 -16.991 4.831 -13.786 1.00 21.97 C ATOM 420 C TYR A 308 -16.264 5.594 -14.868 1.00 24.60 C ATOM 421 O TYR A 308 -15.251 5.118 -15.393 1.00 22.23 O ATOM 422 CB TYR A 308 -16.384 5.197 -12.420 1.00 22.18 C ATOM 423 CG TYR A 308 -17.190 4.617 -11.290 1.00 24.47 C ATOM 424 CD1 TYR A 308 -18.374 5.216 -10.874 1.00 27.70 C ATOM 425 CD2 TYR A 308 -16.799 3.436 -10.665 1.00 25.32 C ATOM 426 CE1 TYR A 308 -19.148 4.661 -9.857 1.00 30.78 C ATOM 427 CE2 TYR A 308 -17.571 2.862 -9.658 1.00 27.83 C ATOM 428 CZ TYR A 308 -18.749 3.475 -9.262 1.00 36.31 C ATOM 429 OH TYR A 308 -19.491 2.928 -8.253 1.00 39.87 O ATOM 430 HH TYR A 308 -20.294 3.485 -8.096 1.00 0.00 H ATOM 431 H TYR A 308 -15.937 2.970 -14.088 1.00 0.00 H ATOM 432 N HIS A 309 -16.796 6.769 -15.214 1.00 21.15 N ATOM 433 CA HIS A 309 -16.170 7.629 -16.213 1.00 20.63 C ATOM 434 C HIS A 309 -15.233 8.588 -15.478 1.00 21.97 C ATOM 435 O HIS A 309 -15.643 9.248 -14.517 1.00 18.89 O ATOM 436 CB HIS A 309 -17.216 8.395 -17.033 1.00 21.30 C ATOM 437 CG HIS A 309 -16.598 9.245 -18.100 1.00 23.75 C ATOM 438 ND1 HIS A 309 -16.287 10.583 -17.875 1.00 24.70 N ATOM 439 CD2 HIS A 309 -16.214 8.910 -19.354 1.00 25.53 C ATOM 440 CE1 HIS A 309 -15.733 11.016 -18.998 1.00 24.41 C ATOM 441 NE2 HIS A 309 -15.677 10.048 -19.920 1.00 25.39 N ATOM 442 H HIS A 309 -17.679 7.079 -14.760 1.00 0.00 H ATOM 443 N VAL A 310 -13.959 8.623 -15.887 1.00 18.92 N ATOM 444 CA VAL A 310 -12.977 9.471 -15.179 1.00 18.86 C ATOM 445 C VAL A 310 -12.193 10.365 -16.123 1.00 21.97 C ATOM 446 O VAL A 310 -11.950 9.978 -17.268 1.00 21.39 O ATOM 447 CB VAL A 310 -11.989 8.618 -14.300 1.00 21.40 C ATOM 448 CG1 VAL A 310 -12.742 7.672 -13.344 1.00 21.16 C ATOM 449 CG2 VAL A 310 -10.999 7.828 -15.165 1.00 21.09 C ATOM 450 H VAL A 310 -13.660 8.053 -16.704 1.00 0.00 H ATOM 451 N GLN A 311 -11.706 11.505 -15.599 1.00 18.08 N ATOM 452 CA GLN A 311 -10.780 12.383 -16.291 1.00 18.02 C ATOM 453 C GLN A 311 -9.434 12.125 -15.615 1.00 22.08 C ATOM 454 O GLN A 311 -9.381 12.097 -14.383 1.00 22.06 O ATOM 455 CB GLN A 311 -11.129 13.858 -16.016 1.00 20.19 C ATOM 456 CG GLN A 311 -12.472 14.296 -16.588 1.00 22.14 C ATOM 457 CD GLN A 311 -12.709 15.794 -16.404 1.00 27.78 C ATOM 458 OE1 GLN A 311 -13.700 16.334 -16.884 1.00 25.87 O ATOM 459 NE2 GLN A 311 -11.806 16.504 -15.731 1.00 24.04 N ATOM 460 HE22 GLN A 311 -10.970 16.034 -15.329 1.00 0.00 H ATOM 461 HE21 GLN A 311 -11.937 17.528 -15.608 1.00 0.00 H ATOM 462 H GLN A 311 -12.011 11.773 -14.642 1.00 0.00 H ATOM 463 N PHE A 312 -8.355 11.957 -16.393 1.00 17.97 N ATOM 464 CA PHE A 312 -7.014 11.806 -15.819 1.00 18.04 C ATOM 465 C PHE A 312 -6.388 13.191 -15.614 1.00 21.83 C ATOM 466 O PHE A 312 -6.373 13.996 -16.548 1.00 23.02 O ATOM 467 CB PHE A 312 -6.111 10.976 -16.750 1.00 19.49 C ATOM 468 CG PHE A 312 -6.509 9.518 -16.800 1.00 19.53 C ATOM 469 CD1 PHE A 312 -7.595 9.100 -17.564 1.00 22.11 C ATOM 470 CD2 PHE A 312 -5.817 8.567 -16.057 1.00 21.41 C ATOM 471 CE1 PHE A 312 -7.989 7.763 -17.567 1.00 23.57 C ATOM 472 CE2 PHE A 312 -6.194 7.218 -16.098 1.00 24.42 C ATOM 473 CZ PHE A 312 -7.262 6.828 -16.870 1.00 23.04 C ATOM 474 H PHE A 312 -8.472 11.933 -17.426 1.00 0.00 H ATOM 475 N PHE A 313 -5.822 13.444 -14.419 1.00 17.97 N ATOM 476 CA PHE A 313 -5.073 14.668 -14.124 1.00 18.38 C ATOM 477 C PHE A 313 -3.699 14.486 -14.762 1.00 24.01 C ATOM 478 O PHE A 313 -2.978 13.532 -14.447 1.00 24.15 O ATOM 479 CB PHE A 313 -4.917 14.896 -12.624 1.00 19.71 C ATOM 480 CG PHE A 313 -6.180 15.422 -11.980 1.00 20.92 C ATOM 481 CD1 PHE A 313 -6.601 16.733 -12.202 1.00 23.69 C ATOM 482 CD2 PHE A 313 -6.920 14.629 -11.121 1.00 20.94 C ATOM 483 CE1 PHE A 313 -7.742 17.238 -11.562 1.00 24.22 C ATOM 484 CE2 PHE A 313 -8.062 15.130 -10.495 1.00 22.46 C ATOM 485 CZ PHE A 313 -8.456 16.434 -10.710 1.00 21.59 C ATOM 486 H PHE A 313 -5.922 12.734 -13.666 1.00 0.00 H ATOM 487 N SER A 314 -3.373 15.372 -15.688 1.00 21.28 N ATOM 488 CA SER A 314 -2.144 15.293 -16.474 1.00 22.74 C ATOM 489 C SER A 314 -1.979 16.561 -17.284 1.00 28.15 C ATOM 490 O SER A 314 -2.938 17.316 -17.437 1.00 28.37 O ATOM 491 CB SER A 314 -2.285 14.129 -17.459 1.00 23.43 C ATOM 492 OG SER A 314 -1.177 13.984 -18.324 1.00 30.20 O ATOM 493 HG SER A 314 -1.332 13.218 -18.931 1.00 0.00 H ATOM 494 H SER A 314 -4.023 16.164 -15.865 1.00 0.00 H ATOM 495 N ASN A 315 -0.796 16.740 -17.904 1.00 25.96 N ATOM 496 CA ASN A 315 -0.599 17.838 -18.842 1.00 27.78 C ATOM 497 C ASN A 315 -1.245 17.376 -20.171 1.00 31.69 C ATOM 498 O ASN A 315 -1.478 18.194 -21.052 1.00 32.82 O ATOM 499 CB ASN A 315 0.899 18.172 -19.019 1.00 32.82 C ATOM 500 CG ASN A 315 1.712 17.024 -19.557 1.00 62.70 C ATOM 501 OD1 ASN A 315 1.670 15.902 -19.032 1.00 57.70 O ATOM 502 ND2 ASN A 315 2.455 17.277 -20.629 1.00 59.38 N ATOM 503 HD22 ASN A 315 2.465 18.232 -21.042 1.00 0.00 H ATOM 504 HD21 ASN A 315 3.027 16.520 -21.056 1.00 0.00 H ATOM 505 H ASN A 315 -0.012 16.085 -17.710 1.00 0.00 H ATOM 506 N GLN A 316 -1.529 16.053 -20.305 1.00 27.75 N ATOM 507 CA GLN A 316 -2.216 15.541 -21.483 1.00 28.78 C ATOM 508 C GLN A 316 -3.596 15.041 -21.072 1.00 30.47 C ATOM 509 O GLN A 316 -3.740 13.931 -20.551 1.00 28.64 O ATOM 510 CB GLN A 316 -1.391 14.542 -22.341 1.00 31.80 C ATOM 511 CG GLN A 316 -1.084 13.192 -21.755 1.00 42.41 C ATOM 512 CD GLN A 316 -0.590 12.246 -22.817 1.00 60.36 C ATOM 513 OE1 GLN A 316 0.609 12.004 -22.940 1.00 60.43 O ATOM 514 NE2 GLN A 316 -1.501 11.683 -23.607 1.00 48.16 N ATOM 515 HE22 GLN A 316 -2.509 11.906 -23.480 1.00 0.00 H ATOM 516 HE21 GLN A 316 -1.205 11.020 -24.351 1.00 0.00 H ATOM 517 H GLN A 316 -1.250 15.393 -19.551 1.00 0.00 H ATOM 518 N PRO A 317 -4.626 15.903 -21.206 1.00 27.88 N ATOM 519 CA PRO A 317 -5.967 15.504 -20.751 1.00 26.87 C ATOM 520 C PRO A 317 -6.522 14.295 -21.502 1.00 29.16 C ATOM 521 O PRO A 317 -6.386 14.198 -22.725 1.00 29.70 O ATOM 522 CB PRO A 317 -6.794 16.776 -20.951 1.00 29.20 C ATOM 523 CG PRO A 317 -6.087 17.529 -22.031 1.00 35.34 C ATOM 524 CD PRO A 317 -4.634 17.281 -21.742 1.00 30.98 C ATOM 525 N GLU A 318 -7.058 13.333 -20.744 1.00 22.63 N ATOM 526 CA GLU A 318 -7.639 12.093 -21.269 1.00 21.94 C ATOM 527 C GLU A 318 -8.802 11.684 -20.387 1.00 24.92 C ATOM 528 O GLU A 318 -8.844 12.050 -19.213 1.00 23.22 O ATOM 529 CB GLU A 318 -6.609 10.940 -21.308 1.00 23.19 C ATOM 530 CG GLU A 318 -5.369 11.143 -22.180 1.00 28.89 C ATOM 531 CD GLU A 318 -5.544 11.313 -23.679 1.00 44.41 C ATOM 532 OE1 GLU A 318 -4.535 11.623 -24.350 1.00 36.89 O ATOM 533 OE2 GLU A 318 -6.674 11.138 -24.188 1.00 33.43 O ATOM 534 H GLU A 318 -7.063 13.473 -19.714 1.00 0.00 H ATOM 535 N ARG A 319 -9.726 10.897 -20.950 1.00 23.57 N ATOM 536 CA ARG A 319 -10.880 10.333 -20.247 1.00 22.46 C ATOM 537 C ARG A 319 -10.950 8.835 -20.514 1.00 25.97 C ATOM 538 O ARG A 319 -10.402 8.361 -21.516 1.00 25.98 O ATOM 539 CB ARG A 319 -12.210 11.022 -20.672 1.00 23.40 C ATOM 540 CG ARG A 319 -12.430 11.078 -22.197 1.00 37.28 C ATOM 541 CD ARG A 319 -13.876 11.273 -22.611 1.00 52.31 C ATOM 542 NE ARG A 319 -14.567 9.987 -22.700 1.00 70.65 N ATOM 543 CZ ARG A 319 -15.510 9.694 -23.589 1.00 93.01 C ATOM 544 NH1 ARG A 319 -16.067 8.492 -23.601 1.00 86.95 N ATOM 545 NH2 ARG A 319 -15.897 10.599 -24.480 1.00 84.07 N ATOM 546 HE ARG A 319 -14.301 9.248 -22.018 1.00 0.00 H ATOM 547 HH12 ARG A 319 -16.805 8.268 -24.299 1.00 0.00 H ATOM 548 HH11 ARG A 319 -15.767 7.773 -22.913 1.00 0.00 H ATOM 549 HH22 ARG A 319 -16.636 10.363 -25.173 1.00 0.00 H ATOM 550 HH21 ARG A 319 -15.462 11.543 -24.485 1.00 0.00 H ATOM 551 H ARG A 319 -9.617 10.670 -21.959 1.00 0.00 H ATOM 552 N ALA A 320 -11.632 8.084 -19.631 1.00 22.32 N ATOM 553 CA ALA A 320 -11.833 6.636 -19.804 1.00 22.31 C ATOM 554 C ALA A 320 -12.953 6.105 -18.920 1.00 24.59 C ATOM 555 O ALA A 320 -13.218 6.655 -17.845 1.00 23.02 O ATOM 556 CB ALA A 320 -10.545 5.872 -19.484 1.00 22.15 C ATOM 557 H ALA A 320 -12.034 8.546 -18.790 1.00 0.00 H ATOM 558 N TRP A 321 -13.573 5.007 -19.373 1.00 21.55 N ATOM 559 CA TRP A 321 -14.504 4.209 -18.595 1.00 22.39 C ATOM 560 C TRP A 321 -13.591 3.195 -17.898 1.00 25.02 C ATOM 561 O TRP A 321 -12.779 2.520 -18.549 1.00 25.18 O ATOM 562 CB TRP A 321 -15.552 3.524 -19.481 1.00 22.84 C ATOM 563 CG TRP A 321 -16.683 4.441 -19.829 1.00 24.95 C ATOM 564 CD1 TRP A 321 -16.897 5.069 -21.020 1.00 28.34 C ATOM 565 CD2 TRP A 321 -17.743 4.860 -18.955 1.00 25.23 C ATOM 566 NE1 TRP A 321 -18.063 5.800 -20.965 1.00 29.11 N ATOM 567 CE2 TRP A 321 -18.596 5.701 -19.705 1.00 29.74 C ATOM 568 CE3 TRP A 321 -18.078 4.573 -17.618 1.00 26.09 C ATOM 569 CZ2 TRP A 321 -19.747 6.285 -19.156 1.00 29.39 C ATOM 570 CZ3 TRP A 321 -19.227 5.146 -17.079 1.00 27.98 C ATOM 571 CH2 TRP A 321 -20.044 5.989 -17.844 1.00 29.42 C ATOM 572 HE1 TRP A 321 -18.474 6.341 -21.753 1.00 0.00 H ATOM 573 H TRP A 321 -13.374 4.706 -20.348 1.00 0.00 H ATOM 574 N VAL A 322 -13.648 3.160 -16.567 1.00 20.74 N ATOM 575 CA VAL A 322 -12.762 2.297 -15.786 1.00 20.95 C ATOM 576 C VAL A 322 -13.599 1.380 -14.901 1.00 25.11 C ATOM 577 O VAL A 322 -14.480 1.863 -14.185 1.00 24.34 O ATOM 578 CB VAL A 322 -11.779 3.152 -14.943 1.00 23.48 C ATOM 579 CG1 VAL A 322 -10.758 2.279 -14.204 1.00 22.46 C ATOM 580 CG2 VAL A 322 -11.059 4.192 -15.806 1.00 23.16 C ATOM 581 H VAL A 322 -14.338 3.760 -16.072 1.00 0.00 H ATOM 582 N HIS A 323 -13.290 0.070 -14.935 1.00 23.24 N ATOM 583 CA HIS A 323 -13.903 -0.973 -14.114 1.00 24.46 C ATOM 584 C HIS A 323 -13.821 -0.560 -12.637 1.00 26.37 C ATOM 585 O HIS A 323 -12.773 -0.075 -12.200 1.00 25.51 O ATOM 586 CB HIS A 323 -13.151 -2.302 -14.334 1.00 25.88 C ATOM 587 CG HIS A 323 -13.850 -3.525 -13.809 1.00 30.48 C ATOM 588 ND1 HIS A 323 -13.953 -3.773 -12.450 1.00 32.63 N ATOM 589 CD2 HIS A 323 -14.382 -4.576 -14.484 1.00 33.35 C ATOM 590 CE1 HIS A 323 -14.574 -4.940 -12.340 1.00 33.38 C ATOM 591 NE2 HIS A 323 -14.841 -5.468 -13.537 1.00 34.05 N ATOM 592 H HIS A 323 -12.551 -0.226 -15.604 1.00 0.00 H ATOM 593 N GLU A 324 -14.925 -0.722 -11.883 1.00 22.92 N ATOM 594 CA GLU A 324 -14.979 -0.361 -10.458 1.00 23.68 C ATOM 595 C GLU A 324 -13.861 -0.976 -9.592 1.00 27.22 C ATOM 596 O GLU A 324 -13.450 -0.337 -8.619 1.00 28.49 O ATOM 597 CB GLU A 324 -16.351 -0.653 -9.823 1.00 26.95 C ATOM 598 CG GLU A 324 -16.734 -2.127 -9.779 1.00 40.14 C ATOM 599 CD GLU A 324 -17.847 -2.496 -8.815 1.00 66.39 C ATOM 600 OE1 GLU A 324 -18.646 -1.610 -8.435 1.00 48.24 O ATOM 601 OE2 GLU A 324 -17.924 -3.691 -8.450 1.00 70.73 O ATOM 602 H GLU A 324 -15.777 -1.120 -12.328 1.00 0.00 H ATOM 603 N LYS A 325 -13.363 -2.184 -9.945 1.00 24.00 N ATOM 604 CA LYS A 325 -12.269 -2.829 -9.210 1.00 24.06 C ATOM 605 C LYS A 325 -10.932 -2.091 -9.450 1.00 28.46 C ATOM 606 O LYS A 325 -9.955 -2.351 -8.749 1.00 28.62 O ATOM 607 CB LYS A 325 -12.131 -4.302 -9.604 1.00 26.24 C ATOM 608 CG LYS A 325 -13.211 -5.190 -8.999 1.00 43.44 C ATOM 609 CD LYS A 325 -13.033 -6.637 -9.424 1.00 48.98 C ATOM 610 CE LYS A 325 -14.233 -7.474 -9.072 1.00 57.14 C ATOM 611 NZ LYS A 325 -14.164 -8.802 -9.731 1.00 68.50 N ATOM 612 HZ1 LYS A 325 -14.135 -8.675 -10.763 1.00 0.00 H ATOM 613 HZ2 LYS A 325 -13.306 -9.299 -9.418 1.00 0.00 H ATOM 614 HZ3 LYS A 325 -15.003 -9.360 -9.472 1.00 0.00 H ATOM 615 H LYS A 325 -13.771 -2.673 -10.767 1.00 0.00 H ATOM 616 N ARG A 326 -10.892 -1.192 -10.453 1.00 24.71 N ATOM 617 CA ARG A 326 -9.685 -0.446 -10.827 1.00 23.38 C ATOM 618 C ARG A 326 -9.777 1.024 -10.444 1.00 25.31 C ATOM 619 O ARG A 326 -9.007 1.833 -10.932 1.00 24.86 O ATOM 620 CB ARG A 326 -9.414 -0.592 -12.329 1.00 22.88 C ATOM 621 CG ARG A 326 -8.867 -1.955 -12.683 1.00 32.41 C ATOM 622 CD ARG A 326 -9.111 -2.254 -14.138 1.00 53.28 C ATOM 623 NE ARG A 326 -8.518 -3.538 -14.495 1.00 73.89 N ATOM 624 CZ ARG A 326 -8.505 -4.051 -15.719 1.00 93.67 C ATOM 625 NH1 ARG A 326 -9.071 -3.397 -16.727 1.00 82.40 N ATOM 626 NH2 ARG A 326 -7.937 -5.224 -15.943 1.00 83.27 N ATOM 627 HE ARG A 326 -8.073 -4.092 -13.735 1.00 0.00 H ATOM 628 HH12 ARG A 326 -9.058 -3.804 -17.684 1.00 0.00 H ATOM 629 HH11 ARG A 326 -9.528 -2.478 -16.559 1.00 0.00 H ATOM 630 HH22 ARG A 326 -7.929 -5.623 -16.903 1.00 0.00 H ATOM 631 HH21 ARG A 326 -7.499 -5.748 -15.159 1.00 0.00 H ATOM 632 H ARG A 326 -11.764 -1.017 -10.992 1.00 0.00 H ATOM 633 N VAL A 327 -10.728 1.363 -9.575 1.00 23.03 N ATOM 634 CA VAL A 327 -10.950 2.736 -9.106 1.00 22.58 C ATOM 635 C VAL A 327 -10.892 2.691 -7.586 1.00 27.99 C ATOM 636 O VAL A 327 -11.506 1.806 -6.973 1.00 29.22 O ATOM 637 CB VAL A 327 -12.314 3.298 -9.629 1.00 27.30 C ATOM 638 CG1 VAL A 327 -12.581 4.705 -9.111 1.00 27.43 C ATOM 639 CG2 VAL A 327 -12.378 3.297 -11.151 1.00 26.29 C ATOM 640 H VAL A 327 -11.348 0.613 -9.208 1.00 0.00 H ATOM 641 N ARG A 328 -10.140 3.619 -6.978 1.00 23.69 N ATOM 642 CA ARG A 328 -10.026 3.732 -5.516 1.00 24.63 C ATOM 643 C ARG A 328 -10.199 5.182 -5.127 1.00 27.53 C ATOM 644 O ARG A 328 -9.757 6.068 -5.856 1.00 26.28 O ATOM 645 CB ARG A 328 -8.654 3.239 -4.994 1.00 24.67 C ATOM 646 CG ARG A 328 -8.318 1.776 -5.259 1.00 31.49 C ATOM 647 CD ARG A 328 -8.999 0.796 -4.311 1.00 43.41 C ATOM 648 NE ARG A 328 -8.494 -0.566 -4.511 1.00 51.95 N ATOM 649 CZ ARG A 328 -8.940 -1.406 -5.443 1.00 65.08 C ATOM 650 NH1 ARG A 328 -8.417 -2.620 -5.554 1.00 55.34 N ATOM 651 NH2 ARG A 328 -9.909 -1.036 -6.271 1.00 45.88 N ATOM 652 HE ARG A 328 -7.736 -0.899 -3.882 1.00 0.00 H ATOM 653 HH12 ARG A 328 -8.768 -3.273 -6.283 1.00 0.00 H ATOM 654 HH11 ARG A 328 -7.656 -2.919 -4.912 1.00 0.00 H ATOM 655 HH22 ARG A 328 -10.253 -1.696 -6.997 1.00 0.00 H ATOM 656 HH21 ARG A 328 -10.324 -0.086 -6.194 1.00 0.00 H ATOM 657 H ARG A 328 -9.611 4.292 -7.569 1.00 0.00 H ATOM 658 N GLU A 329 -10.820 5.435 -3.977 1.00 24.74 N ATOM 659 CA GLU A 329 -10.970 6.799 -3.470 1.00 24.63 C ATOM 660 C GLU A 329 -9.567 7.443 -3.299 1.00 27.63 C ATOM 661 O GLU A 329 -8.648 6.791 -2.798 1.00 26.93 O ATOM 662 CB GLU A 329 -11.720 6.808 -2.138 1.00 27.60 C ATOM 663 CG GLU A 329 -11.927 8.216 -1.598 1.00 36.02 C ATOM 664 CD GLU A 329 -12.478 8.368 -0.193 1.00 56.95 C ATOM 665 OE1 GLU A 329 -12.624 9.530 0.251 1.00 53.22 O ATOM 666 OE2 GLU A 329 -12.755 7.341 0.467 1.00 49.21 O ATOM 667 H GLU A 329 -11.208 4.643 -3.425 1.00 0.00 H ATOM 668 N TYR A 330 -9.401 8.695 -3.781 1.00 23.06 N ATOM 669 CA TYR A 330 -8.141 9.424 -3.666 1.00 23.16 C ATOM 670 C TYR A 330 -8.156 10.191 -2.333 1.00 30.03 C ATOM 671 O TYR A 330 -8.934 11.131 -2.175 1.00 28.28 O ATOM 672 CB TYR A 330 -7.936 10.375 -4.868 1.00 21.62 C ATOM 673 CG TYR A 330 -6.595 11.094 -4.872 1.00 22.11 C ATOM 674 CD1 TYR A 330 -6.427 12.307 -4.204 1.00 23.70 C ATOM 675 CD2 TYR A 330 -5.521 10.603 -5.613 1.00 22.32 C ATOM 676 CE1 TYR A 330 -5.194 12.968 -4.199 1.00 23.38 C ATOM 677 CE2 TYR A 330 -4.291 11.259 -5.626 1.00 23.74 C ATOM 678 CZ TYR A 330 -4.135 12.450 -4.931 1.00 23.99 C ATOM 679 OH TYR A 330 -2.932 13.105 -4.983 1.00 24.77 O ATOM 680 HH TYR A 330 -2.983 13.931 -4.439 1.00 0.00 H ATOM 681 H TYR A 330 -10.204 9.158 -4.253 1.00 0.00 H ATOM 682 N LYS A 331 -7.312 9.769 -1.376 1.00 30.15 N ATOM 683 CA LYS A 331 -7.225 10.400 -0.053 1.00 32.21 C ATOM 684 C LYS A 331 -6.019 11.339 0.067 1.00 36.47 C ATOM 685 O LYS A 331 -5.941 12.128 1.007 1.00 38.17 O ATOM 686 CB LYS A 331 -7.172 9.329 1.052 1.00 36.77 C ATOM 687 CG LYS A 331 -8.442 8.492 1.163 1.00 55.59 C ATOM 688 CD LYS A 331 -8.268 7.329 2.131 1.00 68.56 C ATOM 689 CE LYS A 331 -9.500 6.460 2.224 1.00 80.82 C ATOM 690 NZ LYS A 331 -9.698 5.628 1.005 1.00 89.33 N ATOM 691 HZ1 LYS A 331 -9.802 6.248 0.177 1.00 0.00 H ATOM 692 HZ2 LYS A 331 -8.874 5.007 0.873 1.00 0.00 H ATOM 693 HZ3 LYS A 331 -10.555 5.050 1.117 1.00 0.00 H ATOM 694 H LYS A 331 -6.693 8.959 -1.582 1.00 0.00 H ATOM 695 N GLY A 332 -5.092 11.235 -0.876 1.00 31.06 N ATOM 696 CA GLY A 332 -3.850 12.001 -0.883 1.00 29.97 C ATOM 697 C GLY A 332 -2.767 11.255 -1.631 1.00 31.60 C ATOM 698 O GLY A 332 -2.820 10.022 -1.729 1.00 29.95 O ATOM 699 H GLY A 332 -5.260 10.568 -1.656 1.00 0.00 H ATOM 700 N HIS A 333 -1.783 11.986 -2.174 1.00 28.24 N ATOM 701 CA HIS A 333 -0.719 11.392 -2.988 1.00 28.40 C ATOM 702 C HIS A 333 0.099 10.292 -2.280 1.00 34.48 C ATOM 703 O HIS A 333 0.549 9.371 -2.949 1.00 34.08 O ATOM 704 CB HIS A 333 0.201 12.461 -3.585 1.00 29.86 C ATOM 705 CG HIS A 333 1.153 13.102 -2.621 1.00 35.65 C ATOM 706 ND1 HIS A 333 0.720 14.006 -1.665 1.00 38.82 N ATOM 707 CD2 HIS A 333 2.497 12.985 -2.536 1.00 39.06 C ATOM 708 CE1 HIS A 333 1.808 14.393 -1.018 1.00 39.88 C ATOM 709 NE2 HIS A 333 2.903 13.804 -1.506 1.00 40.72 N ATOM 710 H HIS A 333 -1.774 13.013 -2.011 1.00 0.00 H ATOM 711 N LYS A 334 0.249 10.372 -0.945 1.00 32.69 N ATOM 712 CA LYS A 334 1.011 9.413 -0.139 1.00 34.06 C ATOM 713 C LYS A 334 0.348 8.038 -0.057 1.00 38.66 C ATOM 714 O LYS A 334 1.008 7.055 0.293 1.00 40.08 O ATOM 715 CB LYS A 334 1.313 9.986 1.256 1.00 37.50 C ATOM 716 CG LYS A 334 2.137 11.267 1.200 1.00 43.76 C ATOM 717 CD LYS A 334 2.325 11.906 2.571 1.00 53.46 C ATOM 718 CE LYS A 334 2.770 13.347 2.478 1.00 59.09 C ATOM 719 NZ LYS A 334 4.133 13.482 1.902 1.00 68.12 N ATOM 720 HZ1 LYS A 334 4.813 12.973 2.502 1.00 0.00 H ATOM 721 HZ2 LYS A 334 4.144 13.079 0.943 1.00 0.00 H ATOM 722 HZ3 LYS A 334 4.392 14.488 1.859 1.00 0.00 H ATOM 723 H LYS A 334 -0.206 11.167 -0.452 1.00 0.00 H ATOM 724 N GLN A 335 -0.938 7.961 -0.438 1.00 34.25 N ATOM 725 CA GLN A 335 -1.722 6.725 -0.495 1.00 33.57 C ATOM 726 C GLN A 335 -1.192 5.805 -1.610 1.00 35.21 C ATOM 727 O GLN A 335 -1.475 4.609 -1.581 1.00 33.87 O ATOM 728 CB GLN A 335 -3.196 7.075 -0.758 1.00 33.49 C ATOM 729 CG GLN A 335 -4.188 5.912 -0.715 1.00 37.18 C ATOM 730 CD GLN A 335 -5.525 6.304 -1.287 1.00 47.65 C ATOM 731 OE1 GLN A 335 -5.748 7.458 -1.695 1.00 36.07 O ATOM 732 NE2 GLN A 335 -6.449 5.346 -1.334 1.00 42.64 N ATOM 733 HE22 GLN A 335 -6.227 4.392 -0.984 1.00 0.00 H ATOM 734 HE21 GLN A 335 -7.392 5.552 -1.721 1.00 0.00 H ATOM 735 H GLN A 335 -1.412 8.845 -0.713 1.00 0.00 H ATOM 736 N TYR A 336 -0.450 6.361 -2.599 1.00 30.91 N ATOM 737 CA TYR A 336 0.085 5.590 -3.730 1.00 30.46 C ATOM 738 C TYR A 336 0.736 4.258 -3.316 1.00 34.86 C ATOM 739 O TYR A 336 0.383 3.219 -3.875 1.00 34.08 O ATOM 740 CB TYR A 336 1.042 6.435 -4.595 1.00 31.08 C ATOM 741 CG TYR A 336 1.589 5.674 -5.784 1.00 31.65 C ATOM 742 CD1 TYR A 336 0.814 5.472 -6.924 1.00 31.70 C ATOM 743 CD2 TYR A 336 2.878 5.149 -5.769 1.00 33.38 C ATOM 744 CE1 TYR A 336 1.297 4.740 -8.005 1.00 30.70 C ATOM 745 CE2 TYR A 336 3.376 4.426 -6.852 1.00 34.12 C ATOM 746 CZ TYR A 336 2.580 4.225 -7.969 1.00 37.30 C ATOM 747 OH TYR A 336 3.050 3.527 -9.052 1.00 35.53 O ATOM 748 HH TYR A 336 3.849 3.984 -9.416 1.00 0.00 H ATOM 749 H TYR A 336 -0.250 7.381 -2.555 1.00 0.00 H ATOM 750 N GLU A 337 1.657 4.289 -2.326 1.00 32.68 N ATOM 751 CA GLU A 337 2.358 3.106 -1.801 1.00 34.49 C ATOM 752 C GLU A 337 1.417 2.024 -1.263 1.00 38.86 C ATOM 753 O GLU A 337 1.732 0.831 -1.365 1.00 38.52 O ATOM 754 CB GLU A 337 3.341 3.508 -0.702 1.00 37.91 C ATOM 755 CG GLU A 337 4.500 4.345 -1.201 1.00 48.99 C ATOM 756 CD GLU A 337 5.508 4.671 -0.120 1.00 64.88 C ATOM 757 OE1 GLU A 337 5.084 4.981 1.018 1.00 42.38 O ATOM 758 OE2 GLU A 337 6.724 4.612 -0.411 1.00 64.07 O ATOM 759 H GLU A 337 1.886 5.213 -1.907 1.00 0.00 H ATOM 760 N GLU A 338 0.264 2.437 -0.693 1.00 35.12 N ATOM 761 CA GLU A 338 -0.742 1.506 -0.185 1.00 35.96 C ATOM 762 C GLU A 338 -1.381 0.733 -1.344 1.00 38.74 C ATOM 763 O GLU A 338 -1.684 -0.445 -1.182 1.00 38.73 O ATOM 764 CB GLU A 338 -1.813 2.225 0.658 1.00 37.86 C ATOM 765 CG GLU A 338 -1.274 2.885 1.920 1.00 51.25 C ATOM 766 CD GLU A 338 -2.200 3.893 2.575 1.00 74.24 C ATOM 767 OE1 GLU A 338 -1.752 5.037 2.816 1.00 70.52 O ATOM 768 OE2 GLU A 338 -3.371 3.543 2.852 1.00 68.42 O ATOM 769 H GLU A 338 0.085 3.458 -0.612 1.00 0.00 H ATOM 770 N LEU A 339 -1.540 1.384 -2.519 1.00 35.18 N ATOM 771 CA LEU A 339 -2.113 0.757 -3.715 1.00 34.59 C ATOM 772 C LEU A 339 -1.195 -0.312 -4.305 1.00 41.57 C ATOM 773 O LEU A 339 -1.692 -1.354 -4.725 1.00 40.09 O ATOM 774 CB LEU A 339 -2.519 1.791 -4.776 1.00 32.84 C ATOM 775 CG LEU A 339 -3.452 2.917 -4.301 1.00 36.98 C ATOM 776 CD1 LEU A 339 -3.575 3.972 -5.340 1.00 35.78 C ATOM 777 CD2 LEU A 339 -4.839 2.392 -3.917 1.00 40.82 C ATOM 778 H LEU A 339 -1.241 2.378 -2.577 1.00 0.00 H ATOM 779 N LEU A 340 0.133 -0.067 -4.324 1.00 41.51 N ATOM 780 CA LEU A 340 1.113 -1.059 -4.798 1.00 43.84 C ATOM 781 C LEU A 340 1.115 -2.267 -3.854 1.00 50.12 C ATOM 782 O LEU A 340 1.236 -3.400 -4.315 1.00 50.62 O ATOM 783 CB LEU A 340 2.541 -0.485 -4.854 1.00 45.16 C ATOM 784 CG LEU A 340 2.875 0.587 -5.895 1.00 49.26 C ATOM 785 CD1 LEU A 340 4.292 1.095 -5.684 1.00 50.86 C ATOM 786 CD2 LEU A 340 2.719 0.068 -7.322 1.00 50.69 C ATOM 787 H LEU A 340 0.476 0.857 -3.992 1.00 0.00 H ATOM 788 N ALA A 341 0.954 -2.009 -2.535 1.00 47.79 N ATOM 789 CA ALA A 341 0.929 -3.006 -1.460 1.00 49.31 C ATOM 790 C ALA A 341 -0.309 -3.922 -1.485 1.00 53.05 C ATOM 791 O ALA A 341 -0.327 -4.924 -0.767 1.00 55.12 O ATOM 792 CB ALA A 341 1.075 -2.325 -0.103 1.00 51.35 C ATOM 793 H ALA A 341 0.837 -1.013 -2.259 1.00 0.00 H ATOM 794 N GLU A 342 -1.319 -3.611 -2.331 1.00 46.66 N ATOM 795 CA GLU A 342 -2.516 -4.439 -2.487 1.00 70.53 C ATOM 796 C GLU A 342 -2.173 -5.675 -3.326 1.00 98.49 C ATOM 797 O GLU A 342 -2.746 -6.746 -3.128 1.00 61.07 O ATOM 798 CB GLU A 342 -3.642 -3.649 -3.166 1.00 70.08 C ATOM 799 CG GLU A 342 -4.464 -2.788 -2.222 1.00 80.34 C ATOM 800 CD GLU A 342 -5.601 -2.017 -2.871 1.00 98.01 C ATOM 801 OE1 GLU A 342 -6.195 -2.532 -3.846 1.00 90.51 O ATOM 802 OE2 GLU A 342 -5.907 -0.899 -2.395 1.00 90.16 O ATOM 803 H GLU A 342 -1.241 -2.742 -2.897 1.00 0.00 H TER 804 GLU A 342 ATOM 805 N GLN A 354 14.668 -9.945 0.021 1.00 70.15 N ATOM 806 CA GLN A 354 14.516 -8.750 -0.816 1.00 67.25 C ATOM 807 C GLN A 354 13.089 -8.477 -1.279 1.00 66.86 C ATOM 808 O GLN A 354 12.324 -9.412 -1.514 1.00 65.85 O ATOM 809 CB GLN A 354 15.440 -8.810 -2.039 1.00 68.91 C ATOM 810 CG GLN A 354 16.893 -8.488 -1.733 1.00 86.25 C ATOM 811 CD GLN A 354 17.766 -8.506 -2.964 1.00105.51 C ATOM 812 OE1 GLN A 354 17.625 -9.351 -3.859 1.00 98.74 O ATOM 813 NE2 GLN A 354 18.709 -7.579 -3.027 1.00 99.87 N ATOM 814 HE22 GLN A 354 18.805 -6.882 -2.261 1.00 0.00 H ATOM 815 HE21 GLN A 354 19.354 -7.548 -3.842 1.00 0.00 H ATOM 816 HN3 GLN A 354 14.358 -10.782 -0.513 1.00 0.00 H ATOM 817 HN2 GLN A 354 14.087 -9.843 0.877 1.00 0.00 H ATOM 818 HN1 GLN A 354 15.667 -10.054 0.290 1.00 0.00 H ATOM 819 N LYS A 355 12.759 -7.178 -1.453 1.00 60.90 N ATOM 820 CA LYS A 355 11.474 -6.674 -1.948 1.00 57.04 C ATOM 821 C LYS A 355 11.672 -6.154 -3.376 1.00 56.62 C ATOM 822 O LYS A 355 12.743 -5.632 -3.706 1.00 56.63 O ATOM 823 CB LYS A 355 10.942 -5.530 -1.059 1.00 59.25 C ATOM 824 CG LYS A 355 10.617 -5.936 0.382 1.00 79.05 C ATOM 825 CD LYS A 355 10.458 -4.722 1.306 1.00 90.93 C ATOM 826 CE LYS A 355 11.770 -4.249 1.894 1.00104.35 C ATOM 827 NZ LYS A 355 11.620 -2.957 2.614 1.00113.58 N ATOM 828 HZ1 LYS A 355 11.278 -2.231 1.953 1.00 0.00 H ATOM 829 HZ2 LYS A 355 10.937 -3.071 3.390 1.00 0.00 H ATOM 830 HZ3 LYS A 355 12.541 -2.668 3.001 1.00 0.00 H ATOM 831 H LYS A 355 13.483 -6.471 -1.214 1.00 0.00 H ATOM 832 N ILE A 356 10.638 -6.284 -4.211 1.00 49.64 N ATOM 833 CA ILE A 356 10.674 -5.840 -5.605 1.00 47.36 C ATOM 834 C ILE A 356 9.989 -4.500 -5.791 1.00 48.24 C ATOM 835 O ILE A 356 8.857 -4.320 -5.352 1.00 46.25 O ATOM 836 CB ILE A 356 10.050 -6.902 -6.569 1.00 49.33 C ATOM 837 CG1 ILE A 356 10.869 -8.209 -6.605 1.00 52.35 C ATOM 838 CG2 ILE A 356 9.846 -6.322 -7.984 1.00 47.14 C ATOM 839 CD1 ILE A 356 10.106 -9.442 -7.155 1.00 61.17 C ATOM 840 H ILE A 356 9.765 -6.722 -3.853 1.00 0.00 H ATOM 841 N ARG A 357 10.648 -3.599 -6.524 1.00 44.41 N ATOM 842 CA ARG A 357 10.082 -2.324 -6.932 1.00 42.46 C ATOM 843 C ARG A 357 10.304 -2.132 -8.429 1.00 42.04 C ATOM 844 O ARG A 357 11.419 -2.307 -8.922 1.00 42.17 O ATOM 845 CB ARG A 357 10.654 -1.151 -6.117 1.00 47.24 C ATOM 846 CG ARG A 357 9.942 -0.970 -4.782 1.00 68.63 C ATOM 847 CD ARG A 357 10.210 0.393 -4.171 1.00 88.20 C ATOM 848 NE ARG A 357 10.278 0.316 -2.710 1.00104.05 N ATOM 849 CZ ARG A 357 9.275 0.614 -1.891 1.00120.36 C ATOM 850 NH1 ARG A 357 8.113 1.037 -2.377 1.00105.88 N ATOM 851 NH2 ARG A 357 9.428 0.503 -0.578 1.00109.26 N ATOM 852 HE ARG A 357 11.175 0.006 -2.284 1.00 0.00 H ATOM 853 HH12 ARG A 357 7.332 1.268 -1.730 1.00 0.00 H ATOM 854 HH11 ARG A 357 7.984 1.137 -3.404 1.00 0.00 H ATOM 855 HH22 ARG A 357 8.640 0.737 0.059 1.00 0.00 H ATOM 856 HH21 ARG A 357 10.336 0.182 -0.186 1.00 0.00 H ATOM 857 H ARG A 357 11.620 -3.822 -6.819 1.00 0.00 H ATOM 858 N LYS A 358 9.239 -1.776 -9.143 1.00 37.15 N ATOM 859 CA LYS A 358 9.286 -1.518 -10.576 1.00 36.32 C ATOM 860 C LYS A 358 9.821 -0.119 -10.854 1.00 41.17 C ATOM 861 O LYS A 358 9.322 0.839 -10.254 1.00 40.59 O ATOM 862 CB LYS A 358 7.884 -1.611 -11.183 1.00 36.01 C ATOM 863 CG LYS A 358 7.336 -3.012 -11.352 1.00 41.18 C ATOM 864 CD LYS A 358 6.156 -2.916 -12.290 1.00 37.07 C ATOM 865 CE LYS A 358 5.286 -4.144 -12.339 1.00 40.95 C ATOM 866 NZ LYS A 358 4.039 -3.864 -13.102 1.00 37.13 N ATOM 867 HZ1 LYS A 358 3.515 -3.095 -12.638 1.00 0.00 H ATOM 868 HZ2 LYS A 358 4.284 -3.582 -14.073 1.00 0.00 H ATOM 869 HZ3 LYS A 358 3.450 -4.720 -13.127 1.00 0.00 H ATOM 870 H LYS A 358 8.327 -1.677 -8.653 1.00 0.00 H ATOM 871 N PRO A 359 10.751 0.064 -11.820 1.00 38.64 N ATOM 872 CA PRO A 359 11.161 1.438 -12.170 1.00 38.63 C ATOM 873 C PRO A 359 10.073 2.099 -13.029 1.00 41.02 C ATOM 874 O PRO A 359 9.168 1.419 -13.523 1.00 38.36 O ATOM 875 CB PRO A 359 12.443 1.225 -12.972 1.00 42.43 C ATOM 876 CG PRO A 359 12.245 -0.099 -13.622 1.00 46.99 C ATOM 877 CD PRO A 359 11.414 -0.934 -12.684 1.00 41.23 C ATOM 878 N ARG A 360 10.154 3.412 -13.218 1.00 39.85 N ATOM 879 CA ARG A 360 9.165 4.116 -14.042 1.00 38.55 C ATOM 880 C ARG A 360 9.880 4.993 -15.070 1.00 42.13 C ATOM 881 O ARG A 360 10.914 5.567 -14.727 1.00 43.05 O ATOM 882 CB ARG A 360 8.212 4.971 -13.175 1.00 40.12 C ATOM 883 CG ARG A 360 7.364 4.200 -12.145 1.00 47.65 C ATOM 884 CD ARG A 360 6.327 3.270 -12.750 1.00 51.31 C ATOM 885 NE ARG A 360 5.768 2.370 -11.739 1.00 57.17 N ATOM 886 CZ ARG A 360 4.876 1.417 -11.989 1.00 67.28 C ATOM 887 NH1 ARG A 360 4.430 0.642 -11.007 1.00 50.71 N ATOM 888 NH2 ARG A 360 4.423 1.229 -13.223 1.00 52.29 N ATOM 889 HE ARG A 360 6.091 2.485 -10.757 1.00 0.00 H ATOM 890 HH12 ARG A 360 3.732 -0.102 -11.208 1.00 0.00 H ATOM 891 HH11 ARG A 360 4.779 0.779 -10.037 1.00 0.00 H ATOM 892 HH22 ARG A 360 3.725 0.482 -13.412 1.00 0.00 H ATOM 893 HH21 ARG A 360 4.766 1.829 -14.000 1.00 0.00 H ATOM 894 H ARG A 360 10.928 3.947 -12.776 1.00 0.00 H ATOM 895 N PRO A 361 9.362 5.125 -16.321 1.00 38.59 N ATOM 896 CA PRO A 361 10.022 6.024 -17.289 1.00 40.18 C ATOM 897 C PRO A 361 10.000 7.466 -16.775 1.00 42.82 C ATOM 898 O PRO A 361 9.003 7.888 -16.178 1.00 39.16 O ATOM 899 CB PRO A 361 9.178 5.879 -18.564 1.00 41.53 C ATOM 900 CG PRO A 361 8.330 4.657 -18.354 1.00 44.25 C ATOM 901 CD PRO A 361 8.125 4.543 -16.883 1.00 38.39 C ATOM 902 N GLN A 362 11.115 8.188 -16.959 1.00 41.43 N ATOM 903 CA GLN A 362 11.315 9.587 -16.536 1.00 41.90 C ATOM 904 C GLN A 362 10.155 10.505 -16.981 1.00 44.23 C ATOM 905 O GLN A 362 9.646 11.291 -16.171 1.00 41.84 O ATOM 906 CB GLN A 362 12.665 10.106 -17.085 1.00 46.52 C ATOM 907 CG GLN A 362 13.094 11.479 -16.563 1.00 66.89 C ATOM 908 CD GLN A 362 14.347 11.990 -17.248 1.00 93.17 C ATOM 909 OE1 GLN A 362 15.415 11.364 -17.209 1.00 88.89 O ATOM 910 NE2 GLN A 362 14.246 13.151 -17.888 1.00 87.79 N ATOM 911 HE22 GLN A 362 13.338 13.657 -17.906 1.00 0.00 H ATOM 912 HE21 GLN A 362 15.075 13.553 -18.370 1.00 0.00 H ATOM 913 H GLN A 362 11.908 7.721 -17.442 1.00 0.00 H ATOM 914 N ARG A 363 9.745 10.384 -18.264 1.00 41.87 N ATOM 915 CA ARG A 363 8.686 11.179 -18.889 1.00 41.47 C ATOM 916 C ARG A 363 7.319 10.885 -18.253 1.00 41.17 C ATOM 917 O ARG A 363 6.562 11.823 -17.968 1.00 40.00 O ATOM 918 CB ARG A 363 8.731 10.992 -20.423 1.00 45.44 C ATOM 919 CG ARG A 363 7.395 10.976 -21.173 1.00 57.35 C ATOM 920 CD ARG A 363 7.538 10.444 -22.591 1.00 74.38 C ATOM 921 NE ARG A 363 7.939 9.033 -22.626 1.00 89.87 N ATOM 922 CZ ARG A 363 9.162 8.600 -22.926 1.00108.59 C ATOM 923 NH1 ARG A 363 10.125 9.464 -23.230 1.00 99.28 N ATOM 924 NH2 ARG A 363 9.431 7.302 -22.925 1.00 96.26 N ATOM 925 HE ARG A 363 7.216 8.320 -22.400 1.00 0.00 H ATOM 926 HH12 ARG A 363 11.078 9.119 -23.463 1.00 0.00 H ATOM 927 HH11 ARG A 363 9.925 10.485 -23.234 1.00 0.00 H ATOM 928 HH22 ARG A 363 10.388 6.969 -23.160 1.00 0.00 H ATOM 929 HH21 ARG A 363 8.685 6.617 -22.689 1.00 0.00 H ATOM 930 H ARG A 363 10.219 9.670 -18.853 1.00 0.00 H ATOM 931 N GLU A 364 7.032 9.597 -17.978 1.00 34.63 N ATOM 932 CA GLU A 364 5.789 9.178 -17.320 1.00 31.62 C ATOM 933 C GLU A 364 5.723 9.722 -15.881 1.00 34.13 C ATOM 934 O GLU A 364 4.680 10.242 -15.471 1.00 32.43 O ATOM 935 CB GLU A 364 5.663 7.641 -17.336 1.00 32.49 C ATOM 936 CG GLU A 364 4.335 7.120 -16.819 1.00 34.35 C ATOM 937 CD GLU A 364 4.280 5.606 -16.812 1.00 48.53 C ATOM 938 OE1 GLU A 364 3.883 5.023 -17.846 1.00 40.90 O ATOM 939 OE2 GLU A 364 4.674 5.000 -15.789 1.00 39.68 O ATOM 940 H GLU A 364 7.723 8.867 -18.244 1.00 0.00 H ATOM 941 N ARG A 365 6.844 9.614 -15.128 1.00 32.84 N ATOM 942 CA ARG A 365 6.961 10.110 -13.754 1.00 32.28 C ATOM 943 C ARG A 365 6.700 11.631 -13.696 1.00 34.80 C ATOM 944 O ARG A 365 5.975 12.091 -12.810 1.00 30.61 O ATOM 945 CB ARG A 365 8.339 9.726 -13.159 1.00 34.17 C ATOM 946 CG ARG A 365 8.706 10.389 -11.827 1.00 46.98 C ATOM 947 CD ARG A 365 7.820 9.961 -10.674 1.00 59.62 C ATOM 948 NE ARG A 365 8.197 10.624 -9.426 1.00 73.54 N ATOM 949 CZ ARG A 365 7.666 10.344 -8.240 1.00 88.00 C ATOM 950 NH1 ARG A 365 8.071 10.992 -7.157 1.00 72.13 N ATOM 951 NH2 ARG A 365 6.732 9.408 -8.128 1.00 79.99 N ATOM 952 HE ARG A 365 8.928 11.362 -9.469 1.00 0.00 H ATOM 953 HH12 ARG A 365 7.653 10.770 -6.231 1.00 0.00 H ATOM 954 HH11 ARG A 365 8.807 11.723 -7.233 1.00 0.00 H ATOM 955 HH22 ARG A 365 6.320 9.193 -7.198 1.00 0.00 H ATOM 956 HH21 ARG A 365 6.412 8.889 -8.971 1.00 0.00 H ATOM 957 H ARG A 365 7.673 9.150 -15.551 1.00 0.00 H ATOM 958 N ALA A 366 7.273 12.390 -14.659 1.00 34.34 N ATOM 959 CA ALA A 366 7.095 13.842 -14.789 1.00 34.63 C ATOM 960 C ALA A 366 5.607 14.193 -14.959 1.00 36.72 C ATOM 961 O ALA A 366 5.100 15.049 -14.234 1.00 35.40 O ATOM 962 CB ALA A 366 7.909 14.373 -15.968 1.00 37.38 C ATOM 963 H ALA A 366 7.881 11.912 -15.355 1.00 0.00 H ATOM 964 N GLN A 367 4.900 13.484 -15.863 1.00 31.80 N ATOM 965 CA GLN A 367 3.477 13.707 -16.104 1.00 30.26 C ATOM 966 C GLN A 367 2.649 13.289 -14.871 1.00 30.60 C ATOM 967 O GLN A 367 1.730 14.016 -14.498 1.00 29.00 O ATOM 968 CB GLN A 367 3.015 12.992 -17.389 1.00 32.36 C ATOM 969 CG GLN A 367 3.723 13.507 -18.654 1.00 46.34 C ATOM 970 CD GLN A 367 3.159 12.929 -19.930 1.00 65.52 C ATOM 971 OE1 GLN A 367 3.699 11.974 -20.498 1.00 62.60 O ATOM 972 NE2 GLN A 367 2.067 13.502 -20.421 1.00 52.93 N ATOM 973 HE22 GLN A 367 1.632 14.305 -19.923 1.00 0.00 H ATOM 974 HE21 GLN A 367 1.646 13.148 -21.304 1.00 0.00 H ATOM 975 H GLN A 367 5.389 12.748 -16.411 1.00 0.00 H ATOM 976 N TRP A 368 3.041 12.177 -14.186 1.00 26.41 N ATOM 977 CA TRP A 368 2.370 11.700 -12.968 1.00 25.49 C ATOM 978 C TRP A 368 2.483 12.748 -11.854 1.00 29.44 C ATOM 979 O TRP A 368 1.472 13.092 -11.238 1.00 27.03 O ATOM 980 CB TRP A 368 2.941 10.359 -12.523 1.00 24.36 C ATOM 981 CG TRP A 368 2.203 9.736 -11.375 1.00 24.96 C ATOM 982 CD1 TRP A 368 1.171 8.844 -11.452 1.00 26.21 C ATOM 983 CD2 TRP A 368 2.524 9.860 -9.981 1.00 25.41 C ATOM 984 NE1 TRP A 368 0.824 8.411 -10.194 1.00 24.96 N ATOM 985 CE2 TRP A 368 1.652 9.002 -9.273 1.00 27.70 C ATOM 986 CE3 TRP A 368 3.524 10.548 -9.267 1.00 28.22 C ATOM 987 CZ2 TRP A 368 1.707 8.862 -7.880 1.00 27.83 C ATOM 988 CZ3 TRP A 368 3.562 10.429 -7.887 1.00 30.16 C ATOM 989 CH2 TRP A 368 2.683 9.573 -7.209 1.00 30.11 C ATOM 990 HE1 TRP A 368 0.057 7.743 -9.976 1.00 0.00 H ATOM 991 H TRP A 368 3.856 11.639 -14.543 1.00 0.00 H ATOM 992 N ASP A 369 3.710 13.284 -11.629 1.00 26.92 N ATOM 993 CA ASP A 369 3.960 14.366 -10.669 1.00 27.63 C ATOM 994 C ASP A 369 3.072 15.585 -10.967 1.00 29.31 C ATOM 995 O ASP A 369 2.533 16.171 -10.030 1.00 27.68 O ATOM 996 CB ASP A 369 5.444 14.772 -10.670 1.00 31.04 C ATOM 997 CG ASP A 369 6.385 13.781 -10.025 1.00 37.78 C ATOM 998 OD1 ASP A 369 5.906 12.914 -9.265 1.00 37.24 O ATOM 999 OD2 ASP A 369 7.613 13.886 -10.264 1.00 41.61 O ATOM 1000 H ASP A 369 4.517 12.907 -12.166 1.00 0.00 H ATOM 1001 N ILE A 370 2.894 15.944 -12.265 1.00 27.24 N ATOM 1002 CA ILE A 370 2.013 17.063 -12.673 1.00 27.09 C ATOM 1003 C ILE A 370 0.548 16.750 -12.293 1.00 27.41 C ATOM 1004 O ILE A 370 -0.141 17.612 -11.728 1.00 24.77 O ATOM 1005 CB ILE A 370 2.187 17.481 -14.174 1.00 30.72 C ATOM 1006 CG1 ILE A 370 3.608 18.058 -14.429 1.00 33.63 C ATOM 1007 CG2 ILE A 370 1.113 18.503 -14.613 1.00 29.95 C ATOM 1008 CD1 ILE A 370 4.170 17.880 -15.888 1.00 42.80 C ATOM 1009 H ILE A 370 3.397 15.411 -13.003 1.00 0.00 H ATOM 1010 N GLY A 371 0.103 15.524 -12.589 1.00 24.10 N ATOM 1011 CA GLY A 371 -1.249 15.072 -12.256 1.00 23.29 C ATOM 1012 C GLY A 371 -1.522 15.114 -10.763 1.00 25.11 C ATOM 1013 O GLY A 371 -2.571 15.595 -10.322 1.00 22.98 O ATOM 1014 H GLY A 371 0.744 14.865 -13.076 1.00 0.00 H ATOM 1015 N ILE A 372 -0.538 14.648 -9.971 1.00 22.22 N ATOM 1016 CA ILE A 372 -0.609 14.645 -8.518 1.00 21.70 C ATOM 1017 C ILE A 372 -0.735 16.070 -7.975 1.00 25.59 C ATOM 1018 O ILE A 372 -1.523 16.300 -7.060 1.00 24.42 O ATOM 1019 CB ILE A 372 0.610 13.887 -7.931 1.00 25.56 C ATOM 1020 CG1 ILE A 372 0.451 12.332 -8.103 1.00 25.25 C ATOM 1021 CG2 ILE A 372 0.907 14.300 -6.486 1.00 27.61 C ATOM 1022 CD1 ILE A 372 -0.705 11.678 -7.368 1.00 26.38 C ATOM 1023 H ILE A 372 0.319 14.270 -10.422 1.00 0.00 H ATOM 1024 N ALA A 373 0.068 17.007 -8.508 1.00 24.96 N ATOM 1025 CA ALA A 373 0.030 18.416 -8.088 1.00 25.32 C ATOM 1026 C ALA A 373 -1.401 19.000 -8.294 1.00 26.61 C ATOM 1027 O ALA A 373 -1.929 19.662 -7.397 1.00 24.88 O ATOM 1028 CB ALA A 373 1.080 19.216 -8.855 1.00 26.68 C ATOM 1029 H ALA A 373 0.743 16.724 -9.247 1.00 0.00 H ATOM 1030 N HIS A 374 -2.048 18.679 -9.435 1.00 22.29 N ATOM 1031 CA HIS A 374 -3.429 19.090 -9.730 1.00 20.98 C ATOM 1032 C HIS A 374 -4.415 18.435 -8.758 1.00 21.50 C ATOM 1033 O HIS A 374 -5.280 19.121 -8.225 1.00 21.15 O ATOM 1034 CB HIS A 374 -3.811 18.732 -11.173 1.00 20.70 C ATOM 1035 CG HIS A 374 -3.216 19.636 -12.213 1.00 25.01 C ATOM 1036 ND1 HIS A 374 -3.578 20.969 -12.301 1.00 27.33 N ATOM 1037 CD2 HIS A 374 -2.386 19.344 -13.240 1.00 26.60 C ATOM 1038 CE1 HIS A 374 -2.912 21.459 -13.334 1.00 27.59 C ATOM 1039 NE2 HIS A 374 -2.177 20.519 -13.926 1.00 27.89 N ATOM 1040 H HIS A 374 -1.542 18.110 -10.144 1.00 0.00 H ATOM 1041 N ALA A 375 -4.244 17.125 -8.489 1.00 20.37 N ATOM 1042 CA ALA A 375 -5.102 16.357 -7.582 1.00 20.37 C ATOM 1043 C ALA A 375 -5.022 16.898 -6.166 1.00 22.93 C ATOM 1044 O ALA A 375 -6.055 17.013 -5.507 1.00 21.68 O ATOM 1045 CB ALA A 375 -4.721 14.879 -7.613 1.00 20.79 C ATOM 1046 H ALA A 375 -3.456 16.630 -8.953 1.00 0.00 H ATOM 1047 N GLU A 376 -3.799 17.264 -5.717 1.00 21.42 N ATOM 1048 CA GLU A 376 -3.558 17.842 -4.397 1.00 23.67 C ATOM 1049 C GLU A 376 -4.249 19.207 -4.272 1.00 28.71 C ATOM 1050 O GLU A 376 -4.830 19.488 -3.224 1.00 29.46 O ATOM 1051 CB GLU A 376 -2.049 17.929 -4.089 1.00 26.49 C ATOM 1052 CG GLU A 376 -1.419 16.587 -3.732 1.00 33.01 C ATOM 1053 CD GLU A 376 -2.099 15.839 -2.601 1.00 37.68 C ATOM 1054 OE1 GLU A 376 -2.199 16.405 -1.489 1.00 34.31 O ATOM 1055 OE2 GLU A 376 -2.546 14.693 -2.831 1.00 27.67 O ATOM 1056 H GLU A 376 -2.984 17.126 -6.348 1.00 0.00 H ATOM 1057 N LYS A 377 -4.239 20.024 -5.352 1.00 26.11 N ATOM 1058 CA LYS A 377 -4.935 21.321 -5.373 1.00 26.68 C ATOM 1059 C LYS A 377 -6.460 21.075 -5.310 1.00 28.97 C ATOM 1060 O LYS A 377 -7.148 21.725 -4.528 1.00 28.25 O ATOM 1061 CB LYS A 377 -4.582 22.132 -6.635 1.00 29.47 C ATOM 1062 CG LYS A 377 -5.132 23.558 -6.598 1.00 51.40 C ATOM 1063 CD LYS A 377 -4.587 24.449 -7.702 1.00 63.00 C ATOM 1064 CE LYS A 377 -5.317 25.772 -7.723 1.00 75.84 C ATOM 1065 NZ LYS A 377 -4.826 26.666 -8.801 1.00 84.77 N ATOM 1066 HZ1 LYS A 377 -3.814 26.857 -8.657 1.00 0.00 H ATOM 1067 HZ2 LYS A 377 -4.965 26.205 -9.723 1.00 0.00 H ATOM 1068 HZ3 LYS A 377 -5.356 27.561 -8.776 1.00 0.00 H ATOM 1069 H LYS A 377 -3.719 19.723 -6.201 1.00 0.00 H ATOM 1070 N ALA A 378 -6.954 20.100 -6.103 1.00 25.03 N ATOM 1071 CA ALA A 378 -8.370 19.706 -6.188 1.00 23.30 C ATOM 1072 C ALA A 378 -8.876 19.174 -4.853 1.00 26.76 C ATOM 1073 O ALA A 378 -10.042 19.391 -4.515 1.00 25.55 O ATOM 1074 CB ALA A 378 -8.556 18.645 -7.276 1.00 21.90 C ATOM 1075 H ALA A 378 -6.279 19.585 -6.703 1.00 0.00 H ATOM 1076 N LEU A 379 -7.992 18.480 -4.088 1.00 25.76 N ATOM 1077 CA LEU A 379 -8.339 17.893 -2.791 1.00 27.02 C ATOM 1078 C LEU A 379 -8.698 18.938 -1.733 1.00 31.58 C ATOM 1079 O LEU A 379 -9.528 18.660 -0.863 1.00 30.95 O ATOM 1080 CB LEU A 379 -7.227 16.941 -2.306 1.00 27.44 C ATOM 1081 CG LEU A 379 -7.514 16.052 -1.062 1.00 33.76 C ATOM 1082 CD1 LEU A 379 -8.695 15.092 -1.294 1.00 33.30 C ATOM 1083 CD2 LEU A 379 -6.295 15.274 -0.673 1.00 37.39 C ATOM 1084 H LEU A 379 -7.021 18.360 -4.441 1.00 0.00 H ATOM 1085 N LYS A 380 -8.123 20.148 -1.847 1.00 28.97 N ATOM 1086 CA LYS A 380 -8.367 21.255 -0.911 1.00 31.55 C ATOM 1087 C LYS A 380 -9.648 21.998 -1.259 1.00 36.91 C ATOM 1088 O LYS A 380 -10.145 22.777 -0.444 1.00 40.24 O ATOM 1089 CB LYS A 380 -7.164 22.219 -0.850 1.00 34.71 C ATOM 1090 CG LYS A 380 -5.862 21.564 -0.389 1.00 40.96 C ATOM 1091 CD LYS A 380 -4.685 22.541 -0.491 1.00 51.78 C ATOM 1092 CE LYS A 380 -3.373 21.859 -0.805 1.00 61.93 C ATOM 1093 NZ LYS A 380 -2.889 21.013 0.318 1.00 70.91 N ATOM 1094 HZ1 LYS A 380 -2.749 21.605 1.161 1.00 0.00 H ATOM 1095 HZ2 LYS A 380 -3.593 20.276 0.523 1.00 0.00 H ATOM 1096 HZ3 LYS A 380 -1.987 20.568 0.052 1.00 0.00 H ATOM 1097 H LYS A 380 -7.470 20.310 -2.640 1.00 0.00 H ATOM 1098 N MET A 381 -10.190 21.747 -2.467 1.00 31.32 N ATOM 1099 CA MET A 381 -11.427 22.359 -2.953 1.00 30.99 C ATOM 1100 C MET A 381 -12.643 21.536 -2.535 1.00 34.81 C ATOM 1101 O MET A 381 -12.522 20.343 -2.266 1.00 33.34 O ATOM 1102 CB MET A 381 -11.432 22.413 -4.492 1.00 31.68 C ATOM 1103 CG MET A 381 -10.279 23.144 -5.113 1.00 35.04 C ATOM 1104 SD MET A 381 -10.582 23.255 -6.884 1.00 38.09 S ATOM 1105 CE MET A 381 -9.112 24.106 -7.387 1.00 35.79 C ATOM 1106 H MET A 381 -9.699 21.077 -3.092 1.00 0.00 H ATOM 1107 N THR A 382 -13.832 22.146 -2.583 1.00 33.69 N ATOM 1108 CA THR A 382 -15.061 21.382 -2.352 1.00 34.29 C ATOM 1109 C THR A 382 -15.360 20.679 -3.686 1.00 36.30 C ATOM 1110 O THR A 382 -14.810 21.081 -4.725 1.00 34.39 O ATOM 1111 CB THR A 382 -16.241 22.280 -1.919 1.00 41.42 C ATOM 1112 OG1 THR A 382 -16.564 23.198 -2.962 1.00 35.71 O ATOM 1113 CG2 THR A 382 -15.984 23.013 -0.619 1.00 43.44 C ATOM 1114 HG1 THR A 382 -17.321 23.769 -2.675 1.00 0.00 H ATOM 1115 H THR A 382 -13.885 23.165 -2.785 1.00 0.00 H ATOM 1116 N ARG A 383 -16.206 19.633 -3.659 1.00 32.18 N ATOM 1117 CA ARG A 383 -16.628 18.916 -4.861 1.00 31.24 C ATOM 1118 C ARG A 383 -17.184 19.881 -5.921 1.00 33.44 C ATOM 1119 O ARG A 383 -16.796 19.784 -7.085 1.00 30.40 O ATOM 1120 CB ARG A 383 -17.651 17.820 -4.512 1.00 33.06 C ATOM 1121 CG ARG A 383 -17.879 16.813 -5.627 1.00 38.80 C ATOM 1122 CD ARG A 383 -18.634 15.586 -5.134 1.00 47.81 C ATOM 1123 NE ARG A 383 -19.961 15.920 -4.608 1.00 49.52 N ATOM 1124 CZ ARG A 383 -21.096 15.859 -5.302 1.00 58.70 C ATOM 1125 NH1 ARG A 383 -22.246 16.178 -4.728 1.00 46.79 N ATOM 1126 NH2 ARG A 383 -21.088 15.480 -6.578 1.00 35.20 N ATOM 1127 HE ARG A 383 -20.021 16.228 -3.617 1.00 0.00 H ATOM 1128 HH12 ARG A 383 -23.130 16.129 -5.273 1.00 0.00 H ATOM 1129 HH11 ARG A 383 -22.265 16.477 -3.732 1.00 0.00 H ATOM 1130 HH22 ARG A 383 -21.979 15.435 -7.113 1.00 0.00 H ATOM 1131 HH21 ARG A 383 -20.191 15.229 -7.040 1.00 0.00 H ATOM 1132 H ARG A 383 -16.577 19.320 -2.739 1.00 0.00 H ATOM 1133 N GLU A 384 -18.045 20.839 -5.500 1.00 33.41 N ATOM 1134 CA GLU A 384 -18.628 21.871 -6.374 1.00 34.06 C ATOM 1135 C GLU A 384 -17.530 22.695 -7.058 1.00 36.40 C ATOM 1136 O GLU A 384 -17.574 22.861 -8.275 1.00 35.38 O ATOM 1137 CB GLU A 384 -19.564 22.803 -5.589 1.00 37.52 C ATOM 1138 CG GLU A 384 -20.942 22.227 -5.333 1.00 51.33 C ATOM 1139 CD GLU A 384 -21.939 23.228 -4.778 1.00 72.33 C ATOM 1140 OE1 GLU A 384 -22.900 23.564 -5.504 1.00 72.18 O ATOM 1141 OE2 GLU A 384 -21.760 23.684 -3.624 1.00 63.15 O ATOM 1142 H GLU A 384 -18.311 20.846 -4.495 1.00 0.00 H ATOM 1143 N GLU A 385 -16.525 23.157 -6.285 1.00 32.43 N ATOM 1144 CA GLU A 385 -15.413 23.948 -6.807 1.00 32.53 C ATOM 1145 C GLU A 385 -14.567 23.145 -7.799 1.00 34.39 C ATOM 1146 O GLU A 385 -14.252 23.665 -8.874 1.00 33.87 O ATOM 1147 CB GLU A 385 -14.514 24.486 -5.674 1.00 34.49 C ATOM 1148 CG GLU A 385 -15.124 25.610 -4.855 1.00 48.01 C ATOM 1149 CD GLU A 385 -14.330 26.067 -3.642 1.00 66.00 C ATOM 1150 OE1 GLU A 385 -14.544 27.222 -3.205 1.00 69.75 O ATOM 1151 OE2 GLU A 385 -13.509 25.278 -3.120 1.00 46.88 O ATOM 1152 H GLU A 385 -16.543 22.939 -5.268 1.00 0.00 H ATOM 1153 N ARG A 386 -14.185 21.892 -7.449 1.00 28.76 N ATOM 1154 CA ARG A 386 -13.354 21.112 -8.356 1.00 26.88 C ATOM 1155 C ARG A 386 -14.109 20.759 -9.655 1.00 28.09 C ATOM 1156 O ARG A 386 -13.486 20.753 -10.712 1.00 26.95 O ATOM 1157 CB ARG A 386 -12.692 19.883 -7.675 1.00 28.74 C ATOM 1158 CG ARG A 386 -13.577 18.687 -7.414 1.00 34.52 C ATOM 1159 CD ARG A 386 -12.752 17.547 -6.837 1.00 30.41 C ATOM 1160 NE ARG A 386 -12.391 17.809 -5.450 1.00 32.93 N ATOM 1161 CZ ARG A 386 -13.030 17.332 -4.389 1.00 45.03 C ATOM 1162 NH1 ARG A 386 -14.066 16.515 -4.539 1.00 35.86 N ATOM 1163 NH2 ARG A 386 -12.618 17.640 -3.170 1.00 37.22 N ATOM 1164 HE ARG A 386 -11.566 18.419 -5.277 1.00 0.00 H ATOM 1165 HH12 ARG A 386 -14.562 16.145 -3.703 1.00 0.00 H ATOM 1166 HH11 ARG A 386 -14.382 16.245 -5.492 1.00 0.00 H ATOM 1167 HH22 ARG A 386 -13.121 17.265 -2.341 1.00 0.00 H ATOM 1168 HH21 ARG A 386 -11.791 18.258 -3.041 1.00 0.00 H ATOM 1169 H ARG A 386 -14.484 21.490 -6.538 1.00 0.00 H ATOM 1170 N ILE A 387 -15.441 20.538 -9.592 1.00 25.97 N ATOM 1171 CA ILE A 387 -16.234 20.256 -10.802 1.00 26.56 C ATOM 1172 C ILE A 387 -16.136 21.492 -11.727 1.00 32.11 C ATOM 1173 O ILE A 387 -15.799 21.358 -12.904 1.00 31.18 O ATOM 1174 CB ILE A 387 -17.708 19.830 -10.474 1.00 30.35 C ATOM 1175 CG1 ILE A 387 -17.761 18.387 -9.911 1.00 29.14 C ATOM 1176 CG2 ILE A 387 -18.612 19.932 -11.708 1.00 31.17 C ATOM 1177 CD1 ILE A 387 -19.117 18.035 -9.083 1.00 33.74 C ATOM 1178 H ILE A 387 -15.918 20.568 -8.668 1.00 0.00 H ATOM 1179 N GLU A 388 -16.318 22.693 -11.152 1.00 29.68 N ATOM 1180 CA GLU A 388 -16.195 23.957 -11.878 1.00 31.51 C ATOM 1181 C GLU A 388 -14.786 24.116 -12.482 1.00 35.11 C ATOM 1182 O GLU A 388 -14.668 24.420 -13.665 1.00 36.72 O ATOM 1183 CB GLU A 388 -16.523 25.149 -10.942 1.00 34.33 C ATOM 1184 CG GLU A 388 -16.435 26.518 -11.607 1.00 53.41 C ATOM 1185 CD GLU A 388 -16.711 27.741 -10.749 1.00 88.48 C ATOM 1186 OE1 GLU A 388 -16.801 27.606 -9.506 1.00 89.49 O ATOM 1187 OE2 GLU A 388 -16.829 28.845 -11.328 1.00 88.43 O ATOM 1188 H GLU A 388 -16.558 22.725 -10.141 1.00 0.00 H ATOM 1189 N GLN A 389 -13.735 23.933 -11.671 1.00 30.37 N ATOM 1190 CA GLN A 389 -12.353 24.173 -12.078 1.00 29.68 C ATOM 1191 C GLN A 389 -11.742 23.149 -13.030 1.00 31.85 C ATOM 1192 O GLN A 389 -10.851 23.522 -13.810 1.00 32.01 O ATOM 1193 CB GLN A 389 -11.429 24.312 -10.842 1.00 31.36 C ATOM 1194 CG GLN A 389 -11.822 25.424 -9.853 1.00 53.03 C ATOM 1195 CD GLN A 389 -11.548 26.833 -10.323 1.00 76.20 C ATOM 1196 OE1 GLN A 389 -12.222 27.375 -11.213 1.00 65.91 O ATOM 1197 NE2 GLN A 389 -10.573 27.473 -9.695 1.00 77.16 N ATOM 1198 HE22 GLN A 389 -10.027 26.990 -8.953 1.00 0.00 H ATOM 1199 HE21 GLN A 389 -10.354 28.459 -9.943 1.00 0.00 H ATOM 1200 H GLN A 389 -13.913 23.603 -10.701 1.00 0.00 H ATOM 1201 N TYR A 390 -12.163 21.870 -12.949 1.00 25.38 N ATOM 1202 CA TYR A 390 -11.496 20.812 -13.724 1.00 24.75 C ATOM 1203 C TYR A 390 -12.311 20.085 -14.787 1.00 27.10 C ATOM 1204 O TYR A 390 -11.692 19.411 -15.619 1.00 26.38 O ATOM 1205 CB TYR A 390 -10.886 19.756 -12.767 1.00 25.51 C ATOM 1206 CG TYR A 390 -9.819 20.357 -11.869 1.00 27.35 C ATOM 1207 CD1 TYR A 390 -8.555 20.670 -12.366 1.00 29.13 C ATOM 1208 CD2 TYR A 390 -10.095 20.669 -10.541 1.00 28.63 C ATOM 1209 CE1 TYR A 390 -7.581 21.254 -11.552 1.00 30.40 C ATOM 1210 CE2 TYR A 390 -9.139 21.272 -9.725 1.00 30.13 C ATOM 1211 CZ TYR A 390 -7.884 21.565 -10.235 1.00 37.37 C ATOM 1212 OH TYR A 390 -6.950 22.162 -9.428 1.00 41.95 O ATOM 1213 HH TYR A 390 -6.114 22.302 -9.940 1.00 0.00 H ATOM 1214 H TYR A 390 -12.966 21.630 -12.333 1.00 0.00 H ATOM 1215 N THR A 391 -13.659 20.151 -14.763 1.00 24.88 N ATOM 1216 CA THR A 391 -14.435 19.417 -15.784 1.00 25.02 C ATOM 1217 C THR A 391 -14.036 19.864 -17.191 1.00 27.93 C ATOM 1218 O THR A 391 -14.068 21.057 -17.490 1.00 26.64 O ATOM 1219 CB THR A 391 -15.958 19.504 -15.566 1.00 30.25 C ATOM 1220 OG1 THR A 391 -16.258 19.119 -14.231 1.00 31.25 O ATOM 1221 CG2 THR A 391 -16.744 18.617 -16.544 1.00 28.11 C ATOM 1222 HG1 THR A 391 -15.795 19.727 -13.602 1.00 0.00 H ATOM 1223 H THR A 391 -14.146 20.712 -14.035 1.00 0.00 H ATOM 1224 N PHE A 392 -13.661 18.899 -18.039 1.00 24.54 N ATOM 1225 CA PHE A 392 -13.236 19.177 -19.405 1.00 24.95 C ATOM 1226 C PHE A 392 -14.380 19.706 -20.250 1.00 31.16 C ATOM 1227 O PHE A 392 -15.533 19.340 -20.022 1.00 30.24 O ATOM 1228 CB PHE A 392 -12.726 17.900 -20.082 1.00 25.97 C ATOM 1229 CG PHE A 392 -11.529 17.193 -19.483 1.00 24.84 C ATOM 1230 CD1 PHE A 392 -10.529 17.906 -18.831 1.00 26.63 C ATOM 1231 CD2 PHE A 392 -11.359 15.821 -19.654 1.00 24.46 C ATOM 1232 CE1 PHE A 392 -9.406 17.248 -18.314 1.00 26.14 C ATOM 1233 CE2 PHE A 392 -10.214 15.178 -19.189 1.00 25.38 C ATOM 1234 CZ PHE A 392 -9.259 15.887 -18.494 1.00 23.43 C ATOM 1235 H PHE A 392 -13.673 17.912 -17.710 1.00 0.00 H ATOM 1236 N ILE A 393 -14.037 20.544 -21.229 1.00 29.51 N ATOM 1237 CA ILE A 393 -14.944 21.064 -22.250 1.00 32.51 C ATOM 1238 C ILE A 393 -14.700 20.154 -23.443 1.00 36.11 C ATOM 1239 O ILE A 393 -13.544 19.904 -23.792 1.00 36.44 O ATOM 1240 CB ILE A 393 -14.643 22.554 -22.595 1.00 38.01 C ATOM 1241 CG1 ILE A 393 -14.838 23.481 -21.367 1.00 39.15 C ATOM 1242 CG2 ILE A 393 -15.438 23.047 -23.833 1.00 41.27 C ATOM 1243 CD1 ILE A 393 -16.243 23.558 -20.812 1.00 49.31 C ATOM 1244 H ILE A 393 -13.045 20.852 -21.269 1.00 0.00 H ATOM 1245 N TYR A 394 -15.776 19.629 -24.035 1.00 31.88 N ATOM 1246 CA TYR A 394 -15.680 18.746 -25.180 1.00 32.36 C ATOM 1247 C TYR A 394 -16.132 19.489 -26.425 1.00 39.49 C ATOM 1248 O TYR A 394 -17.203 20.102 -26.422 1.00 40.00 O ATOM 1249 CB TYR A 394 -16.502 17.464 -24.935 1.00 32.72 C ATOM 1250 CG TYR A 394 -15.934 16.622 -23.815 1.00 30.94 C ATOM 1251 CD1 TYR A 394 -14.878 15.744 -24.046 1.00 31.84 C ATOM 1252 CD2 TYR A 394 -16.428 16.723 -22.516 1.00 29.64 C ATOM 1253 CE1 TYR A 394 -14.343 14.967 -23.022 1.00 30.73 C ATOM 1254 CE2 TYR A 394 -15.907 15.938 -21.480 1.00 27.89 C ATOM 1255 CZ TYR A 394 -14.866 15.055 -21.745 1.00 33.60 C ATOM 1256 OH TYR A 394 -14.313 14.261 -20.769 1.00 30.98 O ATOM 1257 HH TYR A 394 -13.939 14.833 -20.052 1.00 0.00 H ATOM 1258 H TYR A 394 -16.718 19.863 -23.660 1.00 0.00 H ATOM 1259 N ILE A 395 -15.290 19.469 -27.471 1.00 37.77 N ATOM 1260 CA ILE A 395 -15.559 20.134 -28.743 1.00 41.41 C ATOM 1261 C ILE A 395 -15.700 19.101 -29.862 1.00 46.72 C ATOM 1262 O ILE A 395 -14.803 18.283 -30.043 1.00 45.38 O ATOM 1263 CB ILE A 395 -14.476 21.224 -29.038 1.00 46.02 C ATOM 1264 CG1 ILE A 395 -14.630 22.412 -28.077 1.00 46.55 C ATOM 1265 CG2 ILE A 395 -14.507 21.711 -30.499 1.00 49.91 C ATOM 1266 CD1 ILE A 395 -13.471 22.628 -27.234 1.00 56.70 C ATOM 1267 H ILE A 395 -14.395 18.950 -27.369 1.00 0.00 H ATOM 1268 N ASP A 396 -16.817 19.164 -30.622 1.00 46.62 N ATOM 1269 CA ASP A 396 -17.097 18.291 -31.768 1.00 68.07 C ATOM 1270 C ASP A 396 -16.172 18.653 -32.934 1.00 93.80 C ATOM 1271 O ASP A 396 -15.392 17.822 -33.394 1.00 58.91 O ATOM 1272 CB ASP A 396 -18.566 18.438 -32.218 1.00 71.81 C ATOM 1273 CG ASP A 396 -19.626 17.864 -31.290 1.00 77.86 C ATOM 1274 OD1 ASP A 396 -19.261 17.143 -30.337 1.00 74.54 O ATOM 1275 OD2 ASP A 396 -20.825 18.125 -31.530 1.00 85.66 O ATOM 1276 H ASP A 396 -17.528 19.882 -30.377 1.00 0.00 H TER 1277 ASP A 396 HETATM 1278 O HOH 1 -0.490 21.172 -5.787 1.00 33.97 O HETATM 1279 O HOH 2 -17.943 15.722 -18.126 1.00 23.25 O HETATM 1280 O HOH 3 -15.339 14.804 -18.378 1.00 25.28 O HETATM 1281 O HOH 4 -4.675 22.855 -10.622 1.00 39.56 O HETATM 1282 O HOH 5 -13.609 -2.588 -18.039 1.00 41.97 O HETATM 1283 O HOH 6 -24.822 0.604 -18.681 1.00 54.00 O HETATM 1284 O HOH 7 -3.459 -2.142 -15.074 1.00 44.97 O HETATM 1285 O HOH 8 -2.407 14.904 0.735 1.00 40.40 O HETATM 1286 O HOH 9 -6.679 -6.902 -17.634 1.00 56.17 O HETATM 1287 O HOH 10 5.740 3.332 -9.106 1.00 36.64 O HETATM 1288 O HOH 11 -23.029 23.346 -8.190 1.00 42.79 O HETATM 1289 O HOH 12 7.177 1.094 -8.634 1.00 48.97 O HETATM 1290 O HOH 13 -15.755 14.249 -3.262 1.00 47.73 O HETATM 1291 O HOH 14 4.430 2.434 -16.623 1.00 38.48 O HETATM 1292 O HOH 15 -26.020 4.750 -15.699 1.00 46.30 O HETATM 1293 O HOH 16 1.146 5.614 2.587 1.00 52.05 O HETATM 1294 O HOH 17 -7.586 12.079 -26.567 1.00 55.57 O HETATM 1295 O HOH 18 -3.914 18.450 -0.883 1.00 35.76 O HETATM 1296 O HOH 19 -23.756 -1.658 -21.311 1.00 54.05 O HETATM 1297 O HOH 20 -10.166 1.808 -18.811 1.00 43.86 O HETATM 1298 O HOH 21 -6.991 24.287 -3.623 1.00 41.17 O HETATM 1299 O HOH 22 -16.138 17.107 -35.913 1.00 56.53 O HETATM 1300 O HOH 23 -16.919 0.498 -21.539 1.00 52.97 O HETATM 1301 O HOH 24 -19.109 -4.403 -10.796 1.00 48.24 O HETATM 1302 O HOH 25 7.724 6.646 1.103 1.00 51.55 O HETATM 1303 O HOH 26 8.815 -0.980 -14.773 1.00 36.79 O HETATM 1304 O HOH 27 -10.999 12.164 -0.718 1.00 49.08 O HETATM 1305 O HOH 28 -13.958 0.546 -6.080 1.00 49.51 O HETATM 1306 O HOH 29 -3.608 4.208 -14.604 1.00 21.04 O HETATM 1307 O HOH 30 -3.705 13.168 -26.452 1.00 51.85 O HETATM 1308 O HOH 31 -13.491 10.238 -3.702 1.00 47.97 O HETATM 1309 O HOH 32 -16.949 16.542 -13.579 1.00 38.26 O HETATM 1310 O HOH 33 -9.153 20.159 -16.369 1.00 28.11 O HETATM 1311 O HOH 34 -9.337 10.533 -23.765 1.00 29.58 O HETATM 1312 O HOH 35 -5.847 16.654 -17.140 1.00 24.68 O HETATM 1313 O HOH 36 -5.875 -2.762 -14.098 1.00 51.95 O HETATM 1314 O HOH 37 3.696 16.408 -7.510 1.00 43.80 O HETATM 1315 O HOH 38 -3.426 25.711 -11.020 1.00 53.08 O HETATM 1316 O HOH 39 -21.048 -1.237 -7.052 1.00 53.84 O HETATM 1317 O HOH 40 -24.749 9.025 -13.799 1.00 50.56 O HETATM 1318 O HOH 41 6.552 14.796 2.484 1.00 44.04 O HETATM 1319 O HOH 42 -18.826 3.952 -23.931 1.00 59.40 O HETATM 1320 O HOH 43 -4.630 14.334 2.187 1.00 50.94 O HETATM 1321 O HOH 44 -13.276 13.141 -3.608 1.00 30.30 O HETATM 1322 O HOH 45 -10.067 6.399 -23.534 1.00 46.85 O HETATM 1323 O HOH 46 -22.908 12.252 -9.516 1.00 35.46 O HETATM 1324 O HOH 47 -19.058 15.973 -15.482 1.00 29.21 O HETATM 1325 O HOH 48 -1.745 -2.422 -7.387 1.00 44.22 O HETATM 1326 O HOH 49 -5.272 3.634 -21.919 1.00 45.33 O HETATM 1327 O HOH 50 -13.197 15.934 -33.609 1.00 49.57 O HETATM 1328 O HOH 51 0.917 1.696 -9.778 1.00 26.89 O HETATM 1329 O HOH 52 -15.326 -7.642 -15.406 1.00 55.85 O HETATM 1330 O HOH 53 -4.103 3.236 5.661 1.00 56.47 O HETATM 1331 O HOH 54 -13.353 -0.051 -19.852 1.00 58.60 O HETATM 1332 O HOH 55 -15.363 -6.079 -17.623 1.00 45.00 O HETATM 1333 O HOH 56 -16.043 -8.070 -12.803 1.00 46.93 O HETATM 1334 O HOH 57 -11.248 -0.807 -16.889 1.00 34.46 O HETATM 1335 O HOH 58 -26.700 17.116 -19.796 1.00 57.28 O HETATM 1336 O HOH 59 -7.076 -1.692 -18.107 1.00 30.62 O HETATM 1337 O HOH 60 11.555 8.467 -19.878 1.00 63.92 O HETATM 1338 O HOH 61 -19.376 6.649 -24.177 1.00 48.21 O HETATM 1339 O HOH 62 -19.363 20.512 -2.842 1.00 35.76 O HETATM 1340 O HOH 63 -11.741 3.084 -2.352 1.00 33.06 O HETATM 1341 O HOH 64 0.221 18.137 -1.089 1.00 46.08 O HETATM 1342 O HOH 65 0.418 9.174 -23.959 1.00 45.63 O HETATM 1343 O HOH 66 -9.118 16.152 -14.370 1.00 21.98 O HETATM 1344 O HOH 67 3.304 20.163 -21.217 1.00 48.58 O HETATM 1345 O HOH 68 -1.020 12.382 1.008 1.00 31.72 O HETATM 1346 O HOH 69 6.629 -1.436 -7.548 1.00 45.85 O HETATM 1347 O HOH 70 -1.944 0.536 -21.871 1.00 35.60 O HETATM 1348 O HOH 71 -12.648 4.085 -22.174 1.00 39.25 O HETATM 1349 O HOH 72 -25.995 1.315 -16.330 1.00 38.10 O HETATM 1350 O HOH 73 4.210 6.474 -20.580 1.00 51.74 O HETATM 1351 O HOH 74 -18.031 21.130 -19.430 1.00 43.58 O HETATM 1352 O HOH 75 -18.934 -2.182 -22.109 1.00 44.57 O HETATM 1353 O HOH 76 -18.389 18.011 -20.072 1.00 55.60 O HETATM 1354 O HOH 77 -18.616 19.680 -22.651 1.00 42.24 O HETATM 1355 O HOH 78 -5.528 19.884 -14.546 1.00 31.94 O HETATM 1356 O HOH 79 -25.964 3.248 -13.443 1.00 50.86 O HETATM 1357 O HOH 80 -20.266 7.191 -1.377 1.00 57.61 O HETATM 1358 O HOH 81 -25.063 14.865 -17.263 1.00 56.54 O HETATM 1359 O HOH 82 -12.200 14.774 -1.513 1.00 53.60 O HETATM 1360 O HOH 83 -27.697 1.519 -12.381 1.00 42.22 O HETATM 1361 O HOH 84 -12.582 27.653 -5.951 1.00 52.11 O HETATM 1362 O HOH 85 -14.602 27.225 -15.611 1.00 76.57 O HETATM 1363 O HOH 86 -22.976 27.030 -5.578 1.00 58.49 O HETATM 1364 O HOH 87 -27.185 3.364 -6.168 1.00 51.08 O HETATM 1365 O HOH 88 -20.365 20.443 -24.925 1.00 56.42 O HETATM 1366 O HOH 89 6.190 -1.299 -15.579 1.00 38.94 O HETATM 1367 O HOH 90 11.985 -11.405 -5.066 1.00 53.25 O HETATM 1368 O HOH 91 1.008 -4.690 3.091 1.00 58.98 O HETATM 1369 O HOH 92 -6.263 24.504 -12.923 1.00 48.95 O HETATM 1370 O HOH 93 -7.533 18.140 -15.394 1.00 27.13 O HETATM 1371 O HOH 94 -6.349 -0.063 -22.198 1.00 68.80 O HETATM 1372 O HOH 95 -4.164 -2.458 -21.934 1.00 48.51 O HETATM 1373 O HOH 96 2.983 17.490 -4.883 1.00 48.06 O HETATM 1374 C4 EJE A 97 -5.268 7.893 -24.228 1.00 -0.01 C HETATM 1375 C5 EJE A 97 -6.219 7.709 -23.233 1.00 -0.06 C HETATM 1376 C6 EJE A 97 -5.875 7.350 -21.933 1.00 -0.05 C HETATM 1377 C1 EJE A 97 -4.513 7.140 -21.630 1.00 -0.02 C HETATM 1378 C8 EJE A 97 -4.122 6.710 -20.263 1.00 0.04 C HETATM 1379 C10 EJE A 97 -3.417 7.376 -19.286 1.00 0.10 C HETATM 1380 C14 EJE A 97 -2.840 8.737 -19.263 1.00 0.02 C HETATM 1381 C21 EJE A 97 -1.427 8.971 -19.188 1.00 0.01 C HETATM 1382 C20 EJE A 97 -1.006 10.330 -19.144 1.00 0.03 C HETATM 1383 C25 EJE A 97 0.377 10.623 -19.086 1.00 -0.01 C HETATM 1384 C24 EJE A 97 1.267 9.595 -19.073 1.00 0.14 C HETATM 1385 C23 EJE A 97 0.893 8.266 -19.097 1.00 -0.02 C HETATM 1386 C22 EJE A 97 -0.433 7.953 -19.190 1.00 -0.05 C HETATM 1387 H8 EJE A 97 -0.733 6.914 -19.266 1.00 0.06 H HETATM 1388 H14 EJE A 97 1.641 7.483 -19.043 1.00 0.06 H HETATM 1389 F26 EJE A 97 2.594 9.879 -18.958 1.00 -0.18 F HETATM 1390 H15 EJE A 97 0.722 11.650 -19.052 1.00 0.06 H HETATM 1391 N15 EJE A 97 -1.890 11.384 -19.150 1.00 -0.31 N HETATM 1392 C17 EJE A 97 -3.182 11.094 -19.191 1.00 -0.00 C HETATM 1393 C16 EJE A 97 -3.701 9.812 -19.281 1.00 -0.03 C HETATM 1394 H10 EJE A 97 -4.771 9.657 -19.364 1.00 0.06 H HETATM 1395 H7 EJE A 97 -3.884 11.919 -19.151 1.00 0.08 H HETATM 1396 N9 EJE A 97 -3.346 6.474 -18.192 1.00 -0.24 N HETATM 1397 C13 EJE A 97 -2.726 6.687 -16.886 1.00 0.05 C HETATM 1398 H4 EJE A 97 -2.850 5.784 -16.270 1.00 0.06 H HETATM 1399 H5 EJE A 97 -3.207 7.541 -16.387 1.00 0.06 H HETATM 1400 H6 EJE A 97 -1.654 6.896 -17.019 1.00 0.06 H HETATM 1401 C12 EJE A 97 -4.012 5.365 -18.583 1.00 0.11 C HETATM 1402 N11 EJE A 97 -4.475 5.443 -19.812 1.00 -0.31 N HETATM 1403 H9 EJE A 97 -4.152 4.494 -17.945 1.00 0.13 H HETATM 1404 C2 EJE A 97 -3.529 7.289 -22.632 1.00 -0.05 C HETATM 1405 C27 EJE A 97 -2.055 7.098 -22.373 1.00 -0.03 C HETATM 1406 H16 EJE A 97 -1.494 7.268 -23.304 1.00 0.04 H HETATM 1407 H17 EJE A 97 -1.875 6.072 -22.018 1.00 0.04 H HETATM 1408 H18 EJE A 97 -1.721 7.815 -21.608 1.00 0.04 H HETATM 1409 C3 EJE A 97 -3.934 7.680 -23.906 1.00 -0.06 C HETATM 1410 H19 EJE A 97 -3.182 7.823 -24.673 1.00 0.04 H HETATM 1411 C18 EJE A 97 -6.974 7.195 -20.911 1.00 -0.03 C HETATM 1412 H11 EJE A 97 -7.945 7.410 -21.381 1.00 0.04 H HETATM 1413 H12 EJE A 97 -6.805 7.897 -20.081 1.00 0.04 H HETATM 1414 H13 EJE A 97 -6.973 6.165 -20.525 1.00 0.04 H HETATM 1415 H1 EJE A 97 -7.266 7.850 -23.477 1.00 0.04 H HETATM 1416 C7 EJE A 97 -5.680 8.277 -25.623 1.00 -0.00 C HETATM 1417 N19 EJE A 97 -4.805 9.323 -26.214 1.00 0.23 N HETATM 1418 H20 EJE A 97 -5.124 9.542 -27.145 1.00 0.20 H HETATM 1419 H21 EJE A 97 -3.857 8.984 -26.255 1.00 0.20 H HETATM 1420 H22 EJE A 97 -4.840 10.153 -25.643 1.00 0.20 H HETATM 1421 H2 EJE A 97 -6.712 8.658 -25.593 1.00 0.10 H HETATM 1422 H3 EJE A 97 -5.638 7.382 -26.261 1.00 0.10 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 805 806 816 817 818 CONECT 816 805 CONECT 817 805 CONECT 818 805 CONECT 1374 1375 1409 1416 CONECT 1375 1374 1376 1415 CONECT 1376 1375 1377 1411 CONECT 1377 1376 1378 1404 CONECT 1378 1377 1379 1402 CONECT 1379 1378 1380 1396 CONECT 1380 1379 1381 1393 CONECT 1381 1380 1382 1386 CONECT 1382 1381 1383 1391 CONECT 1383 1382 1384 1390 CONECT 1384 1383 1385 1389 CONECT 1385 1384 1386 1388 CONECT 1386 1381 1385 1387 CONECT 1387 1386 CONECT 1388 1385 CONECT 1389 1384 CONECT 1390 1383 CONECT 1391 1382 1392 CONECT 1392 1391 1393 1395 CONECT 1393 1380 1392 1394 CONECT 1394 1393 CONECT 1395 1392 CONECT 1396 1379 1397 1401 CONECT 1397 1396 1398 1399 1400 CONECT 1398 1397 CONECT 1399 1397 CONECT 1400 1397 CONECT 1401 1396 1402 1403 CONECT 1402 1378 1401 CONECT 1403 1401 CONECT 1404 1377 1405 1409 CONECT 1405 1404 1406 1407 1408 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1405 CONECT 1409 1374 1404 1410 CONECT 1410 1409 CONECT 1411 1376 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1375 CONECT 1416 1374 1417 1421 1422 CONECT 1417 1416 1418 1419 1420 CONECT 1418 1417 CONECT 1419 1417 CONECT 1420 1417 CONECT 1421 1416 CONECT 1422 1416 MASTER 0 0 0 0 0 0 0 0 1420 2 57 10 END
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Related entries of code: 6g2o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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%
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
6g2o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone-lysine N-methyltransferase NSD3
Ligand Name
EJE
EC.Number
E.C.2.1.1.43
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=170nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat.Chem.Biol. Vol. 15: pp. 822-829
Ligand Properties
Formula
C
2
2
H
2
2
FN
4
Molecular Weight
361.435
Exact Mass
361.183
No. of atoms
49
No. of bonds
52
Polar Surface Area
58.35
LOGP Value
3.29 (
Computed with XLOGP3
)
3.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
[NH3+]Cc1cc(C)c(c(c1)C)c1ncn(c1c1ccnc2c1ccc(c2)F)C
InChI String
InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3/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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