Browse entries in the PDBbind-CN Database
HEADER 4WH7_COMPLEX COMPND 4WH7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 178 ASP HIS ARG GLU LEU ILE GLY ASP TYR SER LYS ALA PHE SEQRES 2 A 178 LEU LEU GLN THR VAL ASP GLY LYS HIS GLN ASP LEU LYS SEQRES 3 A 178 TYR ILE SER PRO GLU THR MET VAL ALA LEU LEU THR GLY SEQRES 4 A 178 LYS PHE SER ASN ILE VAL ASP LYS PHE VAL ILE VAL ASP SEQRES 5 A 178 CYS ARG TYR PRO TYR GLU TYR GLU GLY GLY HIS ILE LYS SEQRES 6 A 178 THR ALA VAL ASN LEU PRO LEU GLU ARG ASP ALA GLU SER SEQRES 7 A 178 PHE LEU LEU LYS SER PRO ILE ALA PRO CYS SER LEU ASP SEQRES 8 A 178 LYS ARG VAL ILE LEU ILE PHE HIS SER GLU PHE SER SER SEQRES 9 A 178 GLU ARG GLY PRO ARG MET CYS ARG PHE ILE ARG GLU ARG SEQRES 10 A 178 ASP ARG ALA VAL ASN ASP TYR PRO SER LEU TYR TYR PRO SEQRES 11 A 178 GLU MET TYR ILE LEU LYS GLY GLY TYR LYS GLU PHE PHE SEQRES 12 A 178 PRO GLN HIS PRO ASN PHE CYS GLU PRO GLN ASP TYR ARG SEQRES 13 A 178 PRO MET ASN HIS GLU ALA PHE LYS ASP GLU LEU LYS THR SEQRES 14 A 178 PHE ARG LEU LYS THR ARG SER TRP ALA HET UNN A 466 14 ATOM 1 N ASP A 374 18.395 -23.930 6.372 1.00 25.22 N ATOM 2 CA ASP A 374 18.267 -23.532 4.938 1.00 20.71 C ATOM 3 C ASP A 374 19.638 -23.156 4.395 1.00 21.81 C ATOM 4 O ASP A 374 20.487 -22.646 5.140 1.00 24.98 O ATOM 5 CB ASP A 374 17.328 -22.334 4.815 1.00 21.11 C ATOM 6 CG ASP A 374 16.855 -22.096 3.386 1.00 19.10 C ATOM 7 OD1 ASP A 374 15.768 -22.597 3.047 1.00 25.59 O ATOM 8 OD2 ASP A 374 17.550 -21.410 2.608 1.00 16.81 O ATOM 9 HN3 ASP A 374 18.780 -23.133 6.919 1.00 0.00 H ATOM 10 HN2 ASP A 374 19.036 -24.746 6.448 1.00 0.00 H ATOM 11 HN1 ASP A 374 17.458 -24.187 6.744 1.00 0.00 H ATOM 12 N HIS A 375 19.864 -23.411 3.104 1.00 24.26 N ATOM 13 CA HIS A 375 21.191 -23.204 2.524 1.00 24.62 C ATOM 14 C HIS A 375 21.325 -21.920 1.714 1.00 20.57 C ATOM 15 O HIS A 375 22.286 -21.730 0.979 1.00 20.93 O ATOM 16 CB HIS A 375 21.637 -24.436 1.730 1.00 26.76 C ATOM 17 CG HIS A 375 21.485 -25.715 2.492 1.00 30.99 C ATOM 18 ND1 HIS A 375 21.600 -25.774 3.867 1.00 37.00 N ATOM 19 CD2 HIS A 375 21.207 -26.976 2.083 1.00 35.31 C ATOM 20 CE1 HIS A 375 21.405 -27.017 4.270 1.00 38.78 C ATOM 21 NE2 HIS A 375 21.165 -27.765 3.207 1.00 39.73 N ATOM 22 H HIS A 375 19.089 -23.760 2.505 1.00 0.00 H ATOM 23 N ARG A 376 20.374 -21.018 1.884 1.00 22.60 N ATOM 24 CA ARG A 376 20.421 -19.752 1.173 1.00 20.34 C ATOM 25 C ARG A 376 20.489 -18.604 2.160 1.00 18.25 C ATOM 26 O ARG A 376 20.422 -18.807 3.392 1.00 21.05 O ATOM 27 CB ARG A 376 19.177 -19.618 0.308 1.00 20.93 C ATOM 28 CG ARG A 376 19.114 -20.657 -0.790 1.00 25.88 C ATOM 29 CD ARG A 376 17.719 -20.793 -1.323 1.00 28.71 C ATOM 30 NE ARG A 376 16.764 -21.159 -0.273 1.00 26.46 N ATOM 31 CZ ARG A 376 15.465 -21.374 -0.492 1.00 24.66 C ATOM 32 NH1 ARG A 376 14.969 -21.277 -1.721 1.00 22.48 N ATOM 33 NH2 ARG A 376 14.671 -21.707 0.513 1.00 23.08 N ATOM 34 HE ARG A 376 17.119 -21.257 0.700 1.00 0.00 H ATOM 35 HH12 ARG A 376 13.956 -21.445 -1.888 1.00 0.00 H ATOM 36 HH11 ARG A 376 15.593 -21.033 -2.516 1.00 0.00 H ATOM 37 HH22 ARG A 376 13.659 -21.875 0.343 1.00 0.00 H ATOM 38 HH21 ARG A 376 15.059 -21.801 1.473 1.00 0.00 H ATOM 39 H ARG A 376 19.585 -21.216 2.532 1.00 0.00 H ATOM 40 N GLU A 377 20.636 -17.399 1.620 1.00 19.11 N ATOM 41 CA GLU A 377 20.581 -16.191 2.427 1.00 18.33 C ATOM 42 C GLU A 377 19.150 -15.935 2.900 1.00 16.54 C ATOM 43 O GLU A 377 18.187 -16.559 2.399 1.00 17.52 O ATOM 44 CB GLU A 377 21.106 -14.995 1.640 1.00 19.21 C ATOM 45 CG GLU A 377 20.196 -14.537 0.508 1.00 17.85 C ATOM 46 CD GLU A 377 20.470 -15.202 -0.831 1.00 19.81 C ATOM 47 OE1 GLU A 377 21.034 -16.331 -0.888 1.00 24.05 O ATOM 48 OE2 GLU A 377 20.108 -14.568 -1.845 1.00 21.74 O ATOM 49 H GLU A 377 20.794 -17.318 0.595 1.00 0.00 H ATOM 50 N LEU A 378 19.015 -15.023 3.859 1.00 15.99 N ATOM 51 CA LEU A 378 17.695 -14.657 4.386 1.00 15.17 C ATOM 52 C LEU A 378 16.898 -13.803 3.404 1.00 15.29 C ATOM 53 O LEU A 378 17.461 -13.246 2.467 1.00 16.46 O ATOM 54 CB LEU A 378 17.848 -13.922 5.721 1.00 16.34 C ATOM 55 CG LEU A 378 18.547 -14.734 6.819 1.00 17.19 C ATOM 56 CD1 LEU A 378 19.019 -13.789 7.896 1.00 18.12 C ATOM 57 CD2 LEU A 378 17.632 -15.811 7.398 1.00 19.54 C ATOM 58 H LEU A 378 19.863 -14.559 4.243 1.00 0.00 H ATOM 59 N ILE A 379 15.585 -13.706 3.632 1.00 14.59 N ATOM 60 CA ILE A 379 14.726 -12.789 2.878 1.00 14.98 C ATOM 61 C ILE A 379 15.137 -11.339 3.132 1.00 15.40 C ATOM 62 O ILE A 379 15.985 -11.085 3.982 1.00 16.52 O ATOM 63 CB ILE A 379 13.211 -13.059 3.125 1.00 14.62 C ATOM 64 CG1 ILE A 379 12.772 -12.704 4.567 1.00 15.01 C ATOM 65 CG2 ILE A 379 12.876 -14.518 2.783 1.00 17.59 C ATOM 66 CD1 ILE A 379 11.258 -12.810 4.774 1.00 17.22 C ATOM 67 H ILE A 379 15.158 -14.302 4.370 1.00 0.00 H ATOM 68 N GLY A 380 14.549 -10.393 2.403 1.00 15.99 N ATOM 69 CA GLY A 380 15.105 -9.028 2.314 1.00 16.84 C ATOM 70 C GLY A 380 15.150 -8.191 3.595 1.00 15.16 C ATOM 71 O GLY A 380 15.912 -7.228 3.674 1.00 16.28 O ATOM 72 H GLY A 380 13.677 -10.621 1.884 1.00 0.00 H ATOM 73 N ASP A 381 14.309 -8.519 4.584 1.00 15.23 N ATOM 74 CA ASP A 381 14.389 -7.853 5.897 1.00 16.80 C ATOM 75 C ASP A 381 15.148 -8.719 6.916 1.00 17.53 C ATOM 76 O ASP A 381 15.175 -8.407 8.112 1.00 19.28 O ATOM 77 CB ASP A 381 12.995 -7.486 6.417 1.00 17.14 C ATOM 78 CG ASP A 381 12.162 -8.700 6.761 1.00 14.70 C ATOM 79 OD1 ASP A 381 12.613 -9.819 6.484 1.00 16.76 O ATOM 80 OD2 ASP A 381 11.040 -8.540 7.302 1.00 19.50 O ATOM 81 H ASP A 381 13.590 -9.253 4.424 1.00 0.00 H ATOM 82 N TYR A 382 15.757 -9.802 6.424 1.00 17.58 N ATOM 83 CA TYR A 382 16.688 -10.661 7.201 1.00 15.34 C ATOM 84 C TYR A 382 15.996 -11.279 8.418 1.00 16.09 C ATOM 85 O TYR A 382 16.611 -11.553 9.444 1.00 17.90 O ATOM 86 CB TYR A 382 18.010 -9.909 7.539 1.00 17.31 C ATOM 87 CG TYR A 382 18.478 -9.150 6.326 1.00 17.17 C ATOM 88 CD1 TYR A 382 18.576 -9.807 5.097 1.00 17.75 C ATOM 89 CD2 TYR A 382 18.720 -7.776 6.371 1.00 15.88 C ATOM 90 CE1 TYR A 382 18.918 -9.130 3.944 1.00 17.11 C ATOM 91 CE2 TYR A 382 19.087 -7.077 5.212 1.00 17.81 C ATOM 92 CZ TYR A 382 19.179 -7.774 3.995 1.00 18.72 C ATOM 93 OH TYR A 382 19.511 -7.143 2.810 1.00 20.64 O ATOM 94 HH TYR A 382 20.407 -6.731 2.897 1.00 0.00 H ATOM 95 H TYR A 382 15.567 -10.060 5.435 1.00 0.00 H ATOM 96 N SER A 383 14.695 -11.506 8.270 1.00 17.31 N ATOM 97 CA SER A 383 13.876 -11.999 9.361 1.00 18.49 C ATOM 98 C SER A 383 13.866 -13.528 9.419 1.00 20.13 C ATOM 99 O SER A 383 13.789 -14.113 10.499 1.00 23.23 O ATOM 100 CB SER A 383 12.452 -11.445 9.230 1.00 17.19 C ATOM 101 OG SER A 383 11.847 -11.862 8.011 1.00 19.43 O ATOM 102 HG SER A 383 12.385 -11.534 7.248 1.00 0.00 H ATOM 103 H SER A 383 14.252 -11.325 7.347 1.00 0.00 H ATOM 104 N LYS A 384 13.936 -14.170 8.253 1.00 19.23 N ATOM 105 CA LYS A 384 13.771 -15.617 8.154 1.00 19.50 C ATOM 106 C LYS A 384 14.259 -16.097 6.795 1.00 19.08 C ATOM 107 O LYS A 384 14.535 -15.280 5.914 1.00 17.55 O ATOM 108 CB LYS A 384 12.295 -15.996 8.348 1.00 23.37 C ATOM 109 CG LYS A 384 11.347 -15.336 7.364 1.00 24.29 C ATOM 110 CD LYS A 384 9.874 -15.448 7.794 1.00 27.30 C ATOM 111 CE LYS A 384 9.565 -14.647 9.047 1.00 37.40 C ATOM 112 NZ LYS A 384 9.588 -13.183 8.745 1.00 34.54 N ATOM 113 HZ1 LYS A 384 10.531 -12.917 8.395 1.00 0.00 H ATOM 114 HZ2 LYS A 384 8.874 -12.969 8.019 1.00 0.00 H ATOM 115 HZ3 LYS A 384 9.375 -12.648 9.611 1.00 0.00 H ATOM 116 H LYS A 384 14.114 -13.623 7.387 1.00 0.00 H ATOM 117 N ALA A 385 14.337 -17.414 6.626 1.00 19.17 N ATOM 118 CA ALA A 385 14.706 -18.004 5.342 1.00 18.51 C ATOM 119 C ALA A 385 13.568 -17.876 4.321 1.00 17.83 C ATOM 120 O ALA A 385 12.388 -17.746 4.687 1.00 19.19 O ATOM 121 CB ALA A 385 15.062 -19.459 5.525 1.00 20.61 C ATOM 122 H ALA A 385 14.130 -18.040 7.430 1.00 0.00 H ATOM 123 N PHE A 386 13.924 -17.930 3.040 1.00 16.73 N ATOM 124 CA PHE A 386 12.924 -18.100 1.976 1.00 17.08 C ATOM 125 C PHE A 386 12.137 -19.386 2.226 1.00 16.46 C ATOM 126 O PHE A 386 12.721 -20.416 2.557 1.00 16.88 O ATOM 127 CB PHE A 386 13.628 -18.155 0.614 1.00 19.28 C ATOM 128 CG PHE A 386 14.072 -16.802 0.112 1.00 15.51 C ATOM 129 CD1 PHE A 386 13.199 -15.999 -0.654 1.00 15.68 C ATOM 130 CD2 PHE A 386 15.343 -16.304 0.423 1.00 18.18 C ATOM 131 CE1 PHE A 386 13.578 -14.729 -1.093 1.00 14.41 C ATOM 132 CE2 PHE A 386 15.750 -15.027 -0.030 1.00 16.00 C ATOM 133 CZ PHE A 386 14.865 -14.229 -0.779 1.00 15.02 C ATOM 134 H PHE A 386 14.929 -17.850 2.787 1.00 0.00 H ATOM 135 N LEU A 387 10.811 -19.316 2.088 1.00 16.22 N ATOM 136 CA LEU A 387 9.951 -20.485 2.322 1.00 15.78 C ATOM 137 C LEU A 387 10.006 -21.513 1.185 1.00 16.78 C ATOM 138 O LEU A 387 10.001 -22.733 1.421 1.00 16.73 O ATOM 139 CB LEU A 387 8.508 -20.040 2.529 1.00 16.47 C ATOM 140 CG LEU A 387 7.539 -21.161 2.918 1.00 17.14 C ATOM 141 CD1 LEU A 387 7.880 -21.719 4.286 1.00 20.05 C ATOM 142 CD2 LEU A 387 6.113 -20.661 2.852 1.00 20.01 C ATOM 143 H LEU A 387 10.376 -18.413 1.808 1.00 0.00 H ATOM 144 N LEU A 388 10.037 -21.010 -0.046 1.00 18.42 N ATOM 145 CA LEU A 388 9.866 -21.850 -1.222 1.00 16.69 C ATOM 146 C LEU A 388 11.171 -22.371 -1.758 1.00 17.92 C ATOM 147 O LEU A 388 12.211 -21.692 -1.675 1.00 19.92 O ATOM 148 CB LEU A 388 9.140 -21.068 -2.321 1.00 17.46 C ATOM 149 CG LEU A 388 7.848 -20.376 -1.873 1.00 16.33 C ATOM 150 CD1 LEU A 388 7.168 -19.668 -3.063 1.00 17.09 C ATOM 151 CD2 LEU A 388 6.877 -21.358 -1.162 1.00 18.86 C ATOM 152 H LEU A 388 10.188 -19.989 -0.171 1.00 0.00 H ATOM 153 N GLN A 389 11.114 -23.582 -2.308 1.00 16.94 N ATOM 154 CA GLN A 389 12.238 -24.134 -3.066 1.00 19.88 C ATOM 155 C GLN A 389 12.414 -23.312 -4.326 1.00 19.74 C ATOM 156 O GLN A 389 11.437 -22.890 -4.949 1.00 19.62 O ATOM 157 CB GLN A 389 11.981 -25.592 -3.427 1.00 23.95 C ATOM 158 CG GLN A 389 12.004 -26.535 -2.232 1.00 30.59 C ATOM 159 CD GLN A 389 11.733 -27.971 -2.624 1.00 41.68 C ATOM 160 OE1 GLN A 389 10.662 -28.513 -2.336 1.00 55.61 O ATOM 161 NE2 GLN A 389 12.697 -28.596 -3.296 1.00 46.03 N ATOM 162 HE22 GLN A 389 13.584 -28.099 -3.516 1.00 0.00 H ATOM 163 HE21 GLN A 389 12.564 -29.581 -3.601 1.00 0.00 H ATOM 164 H GLN A 389 10.250 -24.150 -2.196 1.00 0.00 H ATOM 165 N THR A 390 13.665 -23.070 -4.691 1.00 18.64 N ATOM 166 CA THR A 390 13.947 -22.251 -5.859 1.00 20.67 C ATOM 167 C THR A 390 14.724 -23.008 -6.927 1.00 22.06 C ATOM 168 O THR A 390 15.357 -24.039 -6.656 1.00 24.56 O ATOM 169 CB THR A 390 14.700 -20.967 -5.481 1.00 21.03 C ATOM 170 OG1 THR A 390 15.854 -21.321 -4.714 1.00 24.61 O ATOM 171 CG2 THR A 390 13.801 -20.049 -4.657 1.00 20.93 C ATOM 172 HG1 THR A 390 16.440 -21.909 -5.254 1.00 0.00 H ATOM 173 H THR A 390 14.450 -23.469 -4.138 1.00 0.00 H ATOM 174 N VAL A 391 14.642 -22.481 -8.146 1.00 19.40 N ATOM 175 CA VAL A 391 15.347 -23.015 -9.312 1.00 20.14 C ATOM 176 C VAL A 391 16.255 -21.935 -9.925 1.00 19.98 C ATOM 177 O VAL A 391 16.064 -20.741 -9.681 1.00 22.52 O ATOM 178 CB VAL A 391 14.339 -23.544 -10.369 1.00 18.04 C ATOM 179 CG1 VAL A 391 13.533 -24.712 -9.825 1.00 23.22 C ATOM 180 CG2 VAL A 391 13.433 -22.430 -10.844 1.00 21.41 C ATOM 181 H VAL A 391 14.043 -21.641 -8.278 1.00 0.00 H ATOM 182 N ASP A 392 17.237 -22.353 -10.715 1.00 20.70 N ATOM 183 CA ASP A 392 18.170 -21.404 -11.340 1.00 22.95 C ATOM 184 C ASP A 392 17.415 -20.529 -12.323 1.00 21.30 C ATOM 185 O ASP A 392 16.560 -21.021 -13.052 1.00 26.39 O ATOM 186 CB ASP A 392 19.284 -22.145 -12.093 1.00 25.93 C ATOM 187 CG ASP A 392 20.439 -21.222 -12.524 1.00 27.30 C ATOM 188 OD1 ASP A 392 20.670 -20.168 -11.892 1.00 33.82 O ATOM 189 OD2 ASP A 392 21.135 -21.566 -13.502 1.00 34.35 O ATOM 190 H ASP A 392 17.348 -23.371 -10.895 1.00 0.00 H ATOM 191 N GLY A 393 17.739 -19.241 -12.335 1.00 19.75 N ATOM 192 CA GLY A 393 17.208 -18.298 -13.322 1.00 20.66 C ATOM 193 C GLY A 393 18.295 -17.315 -13.725 1.00 21.18 C ATOM 194 O GLY A 393 19.282 -17.157 -13.003 1.00 24.70 O ATOM 195 H GLY A 393 18.398 -18.887 -11.613 1.00 0.00 H ATOM 196 N LYS A 394 18.112 -16.637 -14.858 1.00 20.37 N ATOM 197 CA LYS A 394 19.203 -15.865 -15.459 1.00 21.94 C ATOM 198 C LYS A 394 19.643 -14.680 -14.592 1.00 22.10 C ATOM 199 O LYS A 394 20.832 -14.353 -14.554 1.00 24.76 O ATOM 200 CB LYS A 394 18.868 -15.470 -16.905 1.00 27.28 C ATOM 201 CG LYS A 394 18.486 -14.047 -17.134 1.00 27.73 C ATOM 202 CD LYS A 394 18.211 -13.767 -18.592 1.00 31.04 C ATOM 203 CE LYS A 394 17.425 -12.465 -18.720 1.00 36.86 C ATOM 204 NZ LYS A 394 17.002 -12.184 -20.106 1.00 37.81 N ATOM 205 HZ1 LYS A 394 17.842 -12.109 -20.715 1.00 0.00 H ATOM 206 HZ2 LYS A 394 16.394 -12.957 -20.445 1.00 0.00 H ATOM 207 HZ3 LYS A 394 16.473 -11.289 -20.131 1.00 0.00 H ATOM 208 H LYS A 394 17.182 -16.656 -15.322 1.00 0.00 H ATOM 209 N HIS A 395 18.702 -14.072 -13.863 1.00 19.02 N ATOM 210 CA HIS A 395 19.044 -13.007 -12.926 1.00 21.22 C ATOM 211 C HIS A 395 19.472 -13.702 -11.649 1.00 22.88 C ATOM 212 O HIS A 395 18.629 -14.123 -10.850 1.00 22.26 O ATOM 213 CB HIS A 395 17.867 -12.049 -12.697 1.00 23.61 C ATOM 214 CG HIS A 395 17.497 -11.256 -13.913 1.00 24.96 C ATOM 215 ND1 HIS A 395 17.994 -9.995 -14.160 1.00 32.71 N ATOM 216 CD2 HIS A 395 16.685 -11.552 -14.957 1.00 24.08 C ATOM 217 CE1 HIS A 395 17.503 -9.547 -15.303 1.00 34.27 C ATOM 218 NE2 HIS A 395 16.707 -10.474 -15.806 1.00 28.26 N ATOM 219 H HIS A 395 17.709 -14.363 -13.965 1.00 0.00 H ATOM 220 N GLN A 396 20.786 -13.834 -11.482 1.00 23.83 N ATOM 221 CA GLN A 396 21.373 -14.739 -10.479 1.00 25.92 C ATOM 222 C GLN A 396 21.121 -14.332 -9.024 1.00 25.76 C ATOM 223 O GLN A 396 21.207 -15.163 -8.110 1.00 29.63 O ATOM 224 CB GLN A 396 22.884 -14.897 -10.706 1.00 26.08 C ATOM 225 CG GLN A 396 23.283 -15.414 -12.093 1.00 34.89 C ATOM 226 CD GLN A 396 23.065 -16.909 -12.274 1.00 37.48 C ATOM 227 OE1 GLN A 396 21.929 -17.394 -12.300 1.00 41.42 O ATOM 228 NE2 GLN A 396 24.154 -17.642 -12.429 1.00 38.02 N ATOM 229 HE22 GLN A 396 25.092 -17.193 -12.400 1.00 0.00 H ATOM 230 HE21 GLN A 396 24.073 -18.668 -12.580 1.00 0.00 H ATOM 231 H GLN A 396 21.424 -13.275 -12.084 1.00 0.00 H ATOM 232 N ASP A 397 20.804 -13.059 -8.820 1.00 25.05 N ATOM 233 CA ASP A 397 20.509 -12.528 -7.498 1.00 23.61 C ATOM 234 C ASP A 397 19.012 -12.487 -7.167 1.00 23.42 C ATOM 235 O ASP A 397 18.642 -12.037 -6.082 1.00 24.73 O ATOM 236 CB ASP A 397 21.076 -11.118 -7.382 1.00 25.78 C ATOM 237 CG ASP A 397 20.485 -10.170 -8.408 1.00 28.87 C ATOM 238 OD1 ASP A 397 20.061 -10.635 -9.494 1.00 33.16 O ATOM 239 OD2 ASP A 397 20.452 -8.959 -8.128 1.00 36.90 O ATOM 240 H ASP A 397 20.765 -12.416 -9.637 1.00 0.00 H ATOM 241 N LEU A 398 18.158 -12.923 -8.105 1.00 21.84 N ATOM 242 CA LEU A 398 16.725 -13.063 -7.825 1.00 17.61 C ATOM 243 C LEU A 398 16.377 -14.520 -7.594 1.00 17.16 C ATOM 244 O LEU A 398 17.064 -15.414 -8.096 1.00 19.84 O ATOM 245 CB LEU A 398 15.858 -12.481 -8.951 1.00 19.30 C ATOM 246 CG LEU A 398 16.100 -11.009 -9.301 1.00 19.32 C ATOM 247 CD1 LEU A 398 15.202 -10.545 -10.449 1.00 20.28 C ATOM 248 CD2 LEU A 398 15.932 -10.121 -8.077 1.00 20.93 C ATOM 249 H LEU A 398 18.519 -13.167 -9.049 1.00 0.00 H ATOM 250 N LYS A 399 15.290 -14.761 -6.864 1.00 16.57 N ATOM 251 CA LYS A 399 14.838 -16.120 -6.581 1.00 16.11 C ATOM 252 C LYS A 399 13.724 -16.524 -7.541 1.00 15.73 C ATOM 253 O LYS A 399 12.703 -15.815 -7.670 1.00 18.50 O ATOM 254 CB LYS A 399 14.340 -16.239 -5.126 1.00 14.44 C ATOM 255 CG LYS A 399 15.420 -15.943 -4.069 1.00 17.48 C ATOM 256 CD LYS A 399 16.555 -16.981 -4.106 1.00 21.07 C ATOM 257 CE LYS A 399 17.674 -16.583 -3.174 1.00 20.47 C ATOM 258 NZ LYS A 399 18.487 -15.465 -3.737 1.00 22.82 N ATOM 259 HZ1 LYS A 399 18.903 -15.763 -4.642 1.00 0.00 H ATOM 260 HZ2 LYS A 399 17.877 -14.637 -3.890 1.00 0.00 H ATOM 261 HZ3 LYS A 399 19.246 -15.219 -3.069 1.00 0.00 H ATOM 262 H LYS A 399 14.748 -13.959 -6.485 1.00 0.00 H ATOM 263 N TYR A 400 13.921 -17.655 -8.206 1.00 15.82 N ATOM 264 CA TYR A 400 12.936 -18.184 -9.170 1.00 15.24 C ATOM 265 C TYR A 400 12.244 -19.424 -8.642 1.00 15.87 C ATOM 266 O TYR A 400 12.866 -20.247 -7.970 1.00 17.96 O ATOM 267 CB TYR A 400 13.600 -18.560 -10.494 1.00 16.96 C ATOM 268 CG TYR A 400 14.143 -17.420 -11.318 1.00 15.80 C ATOM 269 CD1 TYR A 400 15.247 -16.660 -10.884 1.00 17.13 C ATOM 270 CD2 TYR A 400 13.577 -17.120 -12.557 1.00 17.13 C ATOM 271 CE1 TYR A 400 15.759 -15.610 -11.680 1.00 17.14 C ATOM 272 CE2 TYR A 400 14.064 -16.097 -13.341 1.00 16.03 C ATOM 273 CZ TYR A 400 15.160 -15.344 -12.907 1.00 17.66 C ATOM 274 OH TYR A 400 15.631 -14.340 -13.712 1.00 17.41 O ATOM 275 HH TYR A 400 15.916 -14.721 -14.580 1.00 0.00 H ATOM 276 H TYR A 400 14.799 -18.187 -8.043 1.00 0.00 H ATOM 277 N ILE A 401 10.954 -19.562 -8.952 1.00 16.22 N ATOM 278 CA ILE A 401 10.205 -20.771 -8.608 1.00 15.24 C ATOM 279 C ILE A 401 9.654 -21.428 -9.862 1.00 15.68 C ATOM 280 O ILE A 401 9.437 -20.763 -10.906 1.00 15.35 O ATOM 281 CB ILE A 401 9.030 -20.490 -7.605 1.00 13.31 C ATOM 282 CG1 ILE A 401 7.989 -19.500 -8.179 1.00 14.82 C ATOM 283 CG2 ILE A 401 9.609 -19.972 -6.301 1.00 15.65 C ATOM 284 CD1 ILE A 401 6.613 -19.538 -7.446 1.00 18.05 C ATOM 285 H ILE A 401 10.468 -18.790 -9.451 1.00 0.00 H ATOM 286 N SER A 402 9.407 -22.728 -9.744 1.00 15.49 N ATOM 287 CA SER A 402 8.867 -23.518 -10.842 1.00 16.35 C ATOM 288 C SER A 402 7.353 -23.382 -10.924 1.00 16.92 C ATOM 289 O SER A 402 6.708 -22.923 -9.955 1.00 17.39 O ATOM 290 CB SER A 402 9.206 -24.993 -10.635 1.00 18.36 C ATOM 291 OG SER A 402 8.472 -25.506 -9.537 1.00 17.57 O ATOM 292 HG SER A 402 8.697 -26.462 -9.409 1.00 0.00 H ATOM 293 H SER A 402 9.606 -23.197 -8.837 1.00 0.00 H ATOM 294 N PRO A 403 6.772 -23.802 -12.068 1.00 16.72 N ATOM 295 CA PRO A 403 5.315 -23.894 -12.129 1.00 16.07 C ATOM 296 C PRO A 403 4.712 -24.759 -11.012 1.00 17.20 C ATOM 297 O PRO A 403 3.644 -24.410 -10.485 1.00 17.43 O ATOM 298 CB PRO A 403 5.077 -24.553 -13.495 1.00 18.16 C ATOM 299 CG PRO A 403 6.208 -23.963 -14.344 1.00 17.59 C ATOM 300 CD PRO A 403 7.386 -23.972 -13.405 1.00 17.05 C ATOM 301 N GLU A 404 5.373 -25.867 -10.663 1.00 15.88 N ATOM 302 CA GLU A 404 4.872 -26.763 -9.601 1.00 16.37 C ATOM 303 C GLU A 404 4.757 -26.029 -8.263 1.00 15.38 C ATOM 304 O GLU A 404 3.765 -26.187 -7.528 1.00 17.41 O ATOM 305 CB GLU A 404 5.747 -28.013 -9.450 1.00 21.02 C ATOM 306 CG GLU A 404 5.197 -28.998 -8.398 1.00 24.27 C ATOM 307 CD GLU A 404 5.860 -30.358 -8.448 1.00 30.34 C ATOM 308 OE1 GLU A 404 6.110 -30.860 -9.566 1.00 39.92 O ATOM 309 OE2 GLU A 404 6.117 -30.935 -7.373 1.00 38.60 O ATOM 310 H GLU A 404 6.261 -26.104 -11.150 1.00 0.00 H ATOM 311 N THR A 405 5.771 -25.226 -7.948 1.00 16.25 N ATOM 312 CA THR A 405 5.764 -24.439 -6.718 1.00 16.14 C ATOM 313 C THR A 405 4.670 -23.372 -6.735 1.00 16.47 C ATOM 314 O THR A 405 4.011 -23.143 -5.709 1.00 16.95 O ATOM 315 CB THR A 405 7.148 -23.824 -6.474 1.00 16.38 C ATOM 316 OG1 THR A 405 8.078 -24.899 -6.308 1.00 19.07 O ATOM 317 CG2 THR A 405 7.157 -22.960 -5.211 1.00 19.23 C ATOM 318 HG1 THR A 405 8.983 -24.530 -6.148 1.00 0.00 H ATOM 319 H THR A 405 6.585 -25.158 -8.591 1.00 0.00 H ATOM 320 N MET A 406 4.473 -22.730 -7.896 1.00 15.20 N ATOM 321 CA MET A 406 3.353 -21.783 -8.100 1.00 15.51 C ATOM 322 C MET A 406 2.022 -22.485 -7.776 1.00 16.44 C ATOM 323 O MET A 406 1.158 -21.935 -7.066 1.00 16.62 O ATOM 324 CB MET A 406 3.355 -21.242 -9.544 1.00 16.56 C ATOM 325 CG MET A 406 2.321 -20.145 -9.845 1.00 17.31 C ATOM 326 SD MET A 406 2.647 -18.534 -9.062 1.00 20.93 S ATOM 327 CE MET A 406 1.671 -18.701 -7.555 1.00 19.97 C ATOM 328 H MET A 406 5.131 -22.904 -8.682 1.00 0.00 H ATOM 329 N VAL A 407 1.855 -23.695 -8.294 1.00 15.40 N ATOM 330 CA VAL A 407 0.642 -24.479 -8.005 1.00 15.64 C ATOM 331 C VAL A 407 0.523 -24.824 -6.510 1.00 16.47 C ATOM 332 O VAL A 407 -0.574 -24.733 -5.919 1.00 17.17 O ATOM 333 CB VAL A 407 0.544 -25.716 -8.930 1.00 15.85 C ATOM 334 CG1 VAL A 407 -0.545 -26.681 -8.477 1.00 18.39 C ATOM 335 CG2 VAL A 407 0.287 -25.246 -10.365 1.00 20.05 C ATOM 336 H VAL A 407 2.590 -24.095 -8.912 1.00 0.00 H ATOM 337 N ALA A 408 1.644 -25.176 -5.882 1.00 17.70 N ATOM 338 CA ALA A 408 1.630 -25.429 -4.440 1.00 15.67 C ATOM 339 C ALA A 408 1.063 -24.219 -3.663 1.00 18.41 C ATOM 340 O ALA A 408 0.264 -24.396 -2.729 1.00 19.95 O ATOM 341 CB ALA A 408 3.035 -25.786 -3.932 1.00 17.02 C ATOM 342 H ALA A 408 2.531 -25.271 -6.417 1.00 0.00 H ATOM 343 N LEU A 409 1.467 -22.998 -4.032 1.00 16.56 N ATOM 344 CA LEU A 409 0.861 -21.791 -3.428 1.00 16.97 C ATOM 345 C LEU A 409 -0.634 -21.723 -3.716 1.00 16.42 C ATOM 346 O LEU A 409 -1.441 -21.550 -2.801 1.00 18.60 O ATOM 347 CB LEU A 409 1.528 -20.503 -3.946 1.00 17.75 C ATOM 348 CG LEU A 409 2.882 -20.167 -3.342 1.00 20.48 C ATOM 349 CD1 LEU A 409 3.524 -19.074 -4.172 1.00 21.68 C ATOM 350 CD2 LEU A 409 2.743 -19.717 -1.880 1.00 23.61 C ATOM 351 H LEU A 409 2.213 -22.897 -4.749 1.00 0.00 H ATOM 352 N LEU A 410 -1.003 -21.864 -4.988 1.00 16.16 N ATOM 353 CA LEU A 410 -2.415 -21.773 -5.383 1.00 14.11 C ATOM 354 C LEU A 410 -3.337 -22.825 -4.741 1.00 16.92 C ATOM 355 O LEU A 410 -4.560 -22.593 -4.580 1.00 18.11 O ATOM 356 CB LEU A 410 -2.536 -21.809 -6.915 1.00 14.66 C ATOM 357 CG LEU A 410 -2.104 -20.513 -7.611 1.00 16.23 C ATOM 358 CD1 LEU A 410 -1.723 -20.784 -9.058 1.00 18.92 C ATOM 359 CD2 LEU A 410 -3.192 -19.414 -7.523 1.00 17.65 C ATOM 360 H LEU A 410 -0.279 -22.041 -5.714 1.00 0.00 H ATOM 361 N THR A 411 -2.769 -23.974 -4.382 1.00 16.62 N ATOM 362 CA THR A 411 -3.573 -25.044 -3.777 1.00 17.97 C ATOM 363 C THR A 411 -3.523 -25.029 -2.252 1.00 17.94 C ATOM 364 O THR A 411 -4.076 -25.917 -1.604 1.00 19.35 O ATOM 365 CB THR A 411 -3.151 -26.436 -4.269 1.00 16.48 C ATOM 366 OG1 THR A 411 -1.786 -26.676 -3.892 1.00 19.37 O ATOM 367 CG2 THR A 411 -3.329 -26.539 -5.794 1.00 19.34 C ATOM 368 HG1 THR A 411 -1.510 -27.573 -4.208 1.00 0.00 H ATOM 369 H THR A 411 -1.749 -24.115 -4.531 1.00 0.00 H ATOM 370 N GLY A 412 -2.852 -24.029 -1.689 1.00 16.39 N ATOM 371 CA GLY A 412 -2.802 -23.860 -0.242 1.00 16.31 C ATOM 372 C GLY A 412 -1.879 -24.817 0.483 1.00 16.29 C ATOM 373 O GLY A 412 -2.066 -25.089 1.662 1.00 16.96 O ATOM 374 H GLY A 412 -2.350 -23.350 -2.296 1.00 0.00 H ATOM 375 N LYS A 413 -0.858 -25.313 -0.205 1.00 18.69 N ATOM 376 CA LYS A 413 0.082 -26.234 0.422 1.00 18.23 C ATOM 377 C LYS A 413 0.780 -25.533 1.602 1.00 17.08 C ATOM 378 O LYS A 413 1.131 -26.167 2.615 1.00 22.73 O ATOM 379 CB LYS A 413 1.099 -26.756 -0.597 1.00 20.38 C ATOM 380 CG LYS A 413 2.095 -27.775 -0.009 1.00 26.12 C ATOM 381 CD LYS A 413 2.865 -28.459 -1.133 1.00 35.82 C ATOM 382 CE LYS A 413 3.207 -29.895 -0.786 1.00 44.19 C ATOM 383 NZ LYS A 413 3.509 -30.681 -2.010 1.00 55.65 N ATOM 384 HZ1 LYS A 413 2.679 -30.677 -2.637 1.00 0.00 H ATOM 385 HZ2 LYS A 413 4.319 -30.254 -2.503 1.00 0.00 H ATOM 386 HZ3 LYS A 413 3.740 -31.660 -1.744 1.00 0.00 H ATOM 387 H LYS A 413 -0.727 -25.042 -1.201 1.00 0.00 H ATOM 388 N PHE A 414 0.917 -24.212 1.491 1.00 17.05 N ATOM 389 CA PHE A 414 1.625 -23.433 2.504 1.00 19.64 C ATOM 390 C PHE A 414 0.692 -22.551 3.317 1.00 19.22 C ATOM 391 O PHE A 414 1.134 -21.582 3.918 1.00 20.41 O ATOM 392 CB PHE A 414 2.663 -22.532 1.829 1.00 22.09 C ATOM 393 CG PHE A 414 3.685 -23.277 1.026 1.00 24.94 C ATOM 394 CD1 PHE A 414 4.741 -23.949 1.658 1.00 27.53 C ATOM 395 CD2 PHE A 414 3.614 -23.293 -0.368 1.00 25.79 C ATOM 396 CE1 PHE A 414 5.701 -24.636 0.903 1.00 32.68 C ATOM 397 CE2 PHE A 414 4.582 -23.975 -1.127 1.00 28.09 C ATOM 398 CZ PHE A 414 5.610 -24.653 -0.488 1.00 32.04 C ATOM 399 H PHE A 414 0.511 -23.726 0.666 1.00 0.00 H ATOM 400 N SER A 415 -0.596 -22.885 3.329 1.00 20.17 N ATOM 401 CA SER A 415 -1.611 -22.013 3.928 1.00 18.92 C ATOM 402 C SER A 415 -1.430 -21.772 5.432 1.00 20.32 C ATOM 403 O SER A 415 -1.889 -20.742 5.954 1.00 24.04 O ATOM 404 CB SER A 415 -3.015 -22.534 3.618 1.00 20.96 C ATOM 405 OG SER A 415 -3.257 -23.763 4.270 1.00 25.10 O ATOM 406 HG SER A 415 -4.171 -24.076 4.052 1.00 0.00 H ATOM 407 H SER A 415 -0.890 -23.787 2.903 1.00 0.00 H ATOM 408 N ASN A 416 -0.786 -22.690 6.154 1.00 18.39 N ATOM 409 CA ASN A 416 -0.535 -22.433 7.575 1.00 19.23 C ATOM 410 C ASN A 416 0.442 -21.284 7.790 1.00 21.07 C ATOM 411 O ASN A 416 0.407 -20.619 8.832 1.00 20.98 O ATOM 412 CB ASN A 416 -0.040 -23.689 8.306 1.00 22.21 C ATOM 413 CG ASN A 416 -1.157 -24.462 8.932 1.00 27.74 C ATOM 414 OD1 ASN A 416 -1.816 -23.979 9.853 1.00 33.29 O ATOM 415 ND2 ASN A 416 -1.385 -25.674 8.444 1.00 35.30 N ATOM 416 HD22 ASN A 416 -0.801 -26.039 7.665 1.00 0.00 H ATOM 417 HD21 ASN A 416 -2.148 -26.259 8.841 1.00 0.00 H ATOM 418 H ASN A 416 -0.466 -23.577 5.714 1.00 0.00 H ATOM 419 N ILE A 417 1.293 -21.044 6.796 1.00 18.78 N ATOM 420 CA ILE A 417 2.374 -20.054 6.930 1.00 18.38 C ATOM 421 C ILE A 417 2.136 -18.823 6.053 1.00 20.29 C ATOM 422 O ILE A 417 2.362 -17.693 6.493 1.00 20.49 O ATOM 423 CB ILE A 417 3.730 -20.709 6.568 1.00 23.56 C ATOM 424 CG1 ILE A 417 4.084 -21.800 7.582 1.00 26.93 C ATOM 425 CG2 ILE A 417 4.866 -19.666 6.471 1.00 21.43 C ATOM 426 CD1 ILE A 417 5.128 -22.793 7.066 1.00 32.27 C ATOM 427 H ILE A 417 1.192 -21.568 5.903 1.00 0.00 H ATOM 428 N VAL A 418 1.676 -19.044 4.819 1.00 18.43 N ATOM 429 CA VAL A 418 1.495 -17.947 3.863 1.00 16.57 C ATOM 430 C VAL A 418 0.065 -17.437 3.970 1.00 16.48 C ATOM 431 O VAL A 418 -0.881 -18.130 3.584 1.00 18.81 O ATOM 432 CB VAL A 418 1.806 -18.395 2.420 1.00 17.62 C ATOM 433 CG1 VAL A 418 1.552 -17.269 1.425 1.00 21.28 C ATOM 434 CG2 VAL A 418 3.242 -18.866 2.316 1.00 20.19 C ATOM 435 H VAL A 418 1.441 -20.015 4.530 1.00 0.00 H ATOM 436 N ASP A 419 -0.090 -16.247 4.530 1.00 16.81 N ATOM 437 CA ASP A 419 -1.413 -15.639 4.678 1.00 18.58 C ATOM 438 C ASP A 419 -1.900 -15.090 3.348 1.00 18.91 C ATOM 439 O ASP A 419 -3.080 -15.264 2.990 1.00 19.45 O ATOM 440 CB ASP A 419 -1.383 -14.531 5.731 1.00 21.06 C ATOM 441 CG ASP A 419 -2.761 -14.048 6.096 1.00 23.61 C ATOM 442 OD1 ASP A 419 -3.583 -14.879 6.537 1.00 29.91 O ATOM 443 OD2 ASP A 419 -3.033 -12.835 5.944 1.00 28.77 O ATOM 444 H ASP A 419 0.747 -15.733 4.872 1.00 0.00 H ATOM 445 N LYS A 420 -0.987 -14.456 2.610 1.00 16.12 N ATOM 446 CA LYS A 420 -1.322 -13.823 1.333 1.00 15.42 C ATOM 447 C LYS A 420 -0.192 -13.980 0.348 1.00 16.71 C ATOM 448 O LYS A 420 0.976 -13.894 0.716 1.00 17.87 O ATOM 449 CB LYS A 420 -1.584 -12.335 1.520 1.00 17.81 C ATOM 450 CG LYS A 420 -2.812 -12.020 2.363 1.00 20.09 C ATOM 451 CD LYS A 420 -2.996 -10.537 2.559 1.00 18.02 C ATOM 452 CE LYS A 420 -4.166 -10.278 3.494 1.00 24.41 C ATOM 453 NZ LYS A 420 -4.333 -8.828 3.741 1.00 26.57 N ATOM 454 HZ1 LYS A 420 -3.467 -8.450 4.175 1.00 0.00 H ATOM 455 HZ2 LYS A 420 -4.511 -8.342 2.839 1.00 0.00 H ATOM 456 HZ3 LYS A 420 -5.138 -8.677 4.382 1.00 0.00 H ATOM 457 H LYS A 420 -0.006 -14.410 2.953 1.00 0.00 H ATOM 458 N PHE A 421 -0.533 -14.199 -0.917 1.00 15.68 N ATOM 459 CA PHE A 421 0.465 -14.076 -1.981 1.00 15.32 C ATOM 460 C PHE A 421 -0.191 -13.389 -3.167 1.00 17.26 C ATOM 461 O PHE A 421 -1.376 -13.641 -3.497 1.00 20.34 O ATOM 462 CB PHE A 421 1.093 -15.431 -2.359 1.00 14.62 C ATOM 463 CG PHE A 421 0.109 -16.419 -2.939 1.00 15.73 C ATOM 464 CD1 PHE A 421 -0.650 -17.237 -2.100 1.00 17.26 C ATOM 465 CD2 PHE A 421 -0.057 -16.529 -4.323 1.00 17.58 C ATOM 466 CE1 PHE A 421 -1.567 -18.133 -2.625 1.00 18.56 C ATOM 467 CE2 PHE A 421 -0.993 -17.421 -4.861 1.00 19.90 C ATOM 468 CZ PHE A 421 -1.743 -18.227 -4.011 1.00 20.04 C ATOM 469 H PHE A 421 -1.512 -14.459 -1.152 1.00 0.00 H ATOM 470 N VAL A 422 0.570 -12.501 -3.784 1.00 15.82 N ATOM 471 CA VAL A 422 0.086 -11.755 -4.936 1.00 14.85 C ATOM 472 C VAL A 422 0.853 -12.221 -6.163 1.00 16.65 C ATOM 473 O VAL A 422 2.073 -12.214 -6.147 1.00 17.03 O ATOM 474 CB VAL A 422 0.284 -10.230 -4.774 1.00 16.61 C ATOM 475 CG1 VAL A 422 -0.362 -9.484 -5.942 1.00 19.87 C ATOM 476 CG2 VAL A 422 -0.298 -9.739 -3.452 1.00 18.91 C ATOM 477 H VAL A 422 1.536 -12.332 -3.438 1.00 0.00 H ATOM 478 N ILE A 423 0.131 -12.643 -7.203 1.00 14.69 N ATOM 479 CA ILE A 423 0.756 -12.972 -8.488 1.00 14.39 C ATOM 480 C ILE A 423 0.667 -11.721 -9.362 1.00 14.92 C ATOM 481 O ILE A 423 -0.430 -11.278 -9.712 1.00 16.53 O ATOM 482 CB ILE A 423 0.069 -14.159 -9.202 1.00 15.77 C ATOM 483 CG1 ILE A 423 -0.011 -15.396 -8.293 1.00 17.40 C ATOM 484 CG2 ILE A 423 0.785 -14.491 -10.517 1.00 16.73 C ATOM 485 CD1 ILE A 423 -0.883 -16.542 -8.839 1.00 19.78 C ATOM 486 H ILE A 423 -0.899 -12.741 -7.100 1.00 0.00 H ATOM 487 N VAL A 424 1.818 -11.137 -9.655 1.00 16.43 N ATOM 488 CA VAL A 424 1.890 -9.888 -10.405 1.00 15.05 C ATOM 489 C VAL A 424 2.218 -10.212 -11.832 1.00 15.66 C ATOM 490 O VAL A 424 3.384 -10.505 -12.154 1.00 15.52 O ATOM 491 CB VAL A 424 2.956 -8.911 -9.811 1.00 14.27 C ATOM 492 CG1 VAL A 424 2.955 -7.581 -10.576 1.00 16.68 C ATOM 493 CG2 VAL A 424 2.684 -8.654 -8.329 1.00 16.63 C ATOM 494 H VAL A 424 2.702 -11.584 -9.339 1.00 0.00 H ATOM 495 N ASP A 425 1.178 -10.192 -12.675 1.00 15.23 N ATOM 496 CA ASP A 425 1.331 -10.405 -14.113 1.00 13.17 C ATOM 497 C ASP A 425 1.798 -9.069 -14.726 1.00 13.44 C ATOM 498 O ASP A 425 1.044 -8.094 -14.757 1.00 15.32 O ATOM 499 CB ASP A 425 0.006 -10.897 -14.722 1.00 14.91 C ATOM 500 CG ASP A 425 0.149 -11.334 -16.172 1.00 16.59 C ATOM 501 OD1 ASP A 425 1.102 -10.883 -16.861 1.00 15.59 O ATOM 502 OD2 ASP A 425 -0.687 -12.141 -16.625 1.00 16.50 O ATOM 503 H ASP A 425 0.226 -10.019 -12.293 1.00 0.00 H ATOM 504 N CYS A 426 3.058 -9.036 -15.166 1.00 14.32 N ATOM 505 CA CYS A 426 3.712 -7.812 -15.680 1.00 15.19 C ATOM 506 C CYS A 426 3.549 -7.629 -17.197 1.00 15.20 C ATOM 507 O CYS A 426 4.174 -6.743 -17.813 1.00 16.43 O ATOM 508 CB CYS A 426 5.206 -7.813 -15.313 1.00 16.01 C ATOM 509 SG CYS A 426 5.467 -7.871 -13.537 1.00 17.28 S ATOM 510 H CYS A 426 3.609 -9.918 -15.147 1.00 0.00 H ATOM 511 N ARG A 427 2.718 -8.473 -17.802 1.00 14.83 N ATOM 512 CA ARG A 427 2.480 -8.414 -19.240 1.00 16.24 C ATOM 513 C ARG A 427 1.476 -7.322 -19.568 1.00 16.05 C ATOM 514 O ARG A 427 0.857 -6.746 -18.676 1.00 16.56 O ATOM 515 CB ARG A 427 1.998 -9.767 -19.758 1.00 14.81 C ATOM 516 CG ARG A 427 2.992 -10.897 -19.500 1.00 14.80 C ATOM 517 CD ARG A 427 2.446 -12.219 -20.008 1.00 14.11 C ATOM 518 NE ARG A 427 1.192 -12.561 -19.305 1.00 14.07 N ATOM 519 CZ ARG A 427 0.268 -13.403 -19.770 1.00 15.48 C ATOM 520 NH1 ARG A 427 0.410 -14.010 -20.961 1.00 14.93 N ATOM 521 NH2 ARG A 427 -0.820 -13.624 -19.045 1.00 17.43 N ATOM 522 HE ARG A 427 1.018 -12.114 -18.383 1.00 0.00 H ATOM 523 HH12 ARG A 427 -0.324 -14.663 -21.303 1.00 0.00 H ATOM 524 HH11 ARG A 427 1.254 -13.827 -21.541 1.00 0.00 H ATOM 525 HH22 ARG A 427 -1.552 -14.277 -19.391 1.00 0.00 H ATOM 526 HH21 ARG A 427 -0.942 -13.144 -18.130 1.00 0.00 H ATOM 527 H ARG A 427 2.226 -9.193 -17.236 1.00 0.00 H ATOM 528 N TYR A 428 1.335 -7.005 -20.850 1.00 16.71 N ATOM 529 CA TYR A 428 0.418 -5.940 -21.238 1.00 16.63 C ATOM 530 C TYR A 428 -1.046 -6.434 -21.167 1.00 17.24 C ATOM 531 O TYR A 428 -1.299 -7.646 -21.166 1.00 17.46 O ATOM 532 CB TYR A 428 0.774 -5.408 -22.626 1.00 17.88 C ATOM 533 CG TYR A 428 2.245 -5.049 -22.801 1.00 19.72 C ATOM 534 CD1 TYR A 428 3.011 -4.586 -21.722 1.00 17.83 C ATOM 535 CD2 TYR A 428 2.857 -5.142 -24.048 1.00 20.60 C ATOM 536 CE1 TYR A 428 4.363 -4.246 -21.881 1.00 23.08 C ATOM 537 CE2 TYR A 428 4.193 -4.792 -24.227 1.00 21.10 C ATOM 538 CZ TYR A 428 4.941 -4.345 -23.140 1.00 21.10 C ATOM 539 OH TYR A 428 6.265 -4.015 -23.309 1.00 25.55 O ATOM 540 HH TYR A 428 6.643 -3.719 -22.443 1.00 0.00 H ATOM 541 H TYR A 428 1.878 -7.515 -21.576 1.00 0.00 H ATOM 542 N PRO A 429 -2.009 -5.498 -21.074 1.00 17.56 N ATOM 543 CA PRO A 429 -3.377 -5.927 -20.802 1.00 17.00 C ATOM 544 C PRO A 429 -3.932 -6.924 -21.804 1.00 18.51 C ATOM 545 O PRO A 429 -4.614 -7.869 -21.396 1.00 18.22 O ATOM 546 CB PRO A 429 -4.154 -4.610 -20.785 1.00 20.24 C ATOM 547 CG PRO A 429 -3.162 -3.621 -20.286 1.00 20.72 C ATOM 548 CD PRO A 429 -1.882 -4.031 -20.985 1.00 19.52 C ATOM 549 N TYR A 430 -3.615 -6.755 -23.090 1.00 18.17 N ATOM 550 CA TYR A 430 -4.110 -7.699 -24.100 1.00 20.05 C ATOM 551 C TYR A 430 -3.565 -9.117 -23.880 1.00 18.44 C ATOM 552 O TYR A 430 -4.275 -10.089 -24.107 1.00 20.31 O ATOM 553 CB TYR A 430 -3.864 -7.206 -25.536 1.00 21.64 C ATOM 554 CG TYR A 430 -2.412 -7.144 -25.967 1.00 17.44 C ATOM 555 CD1 TYR A 430 -1.644 -5.990 -25.724 1.00 18.54 C ATOM 556 CD2 TYR A 430 -1.790 -8.235 -26.600 1.00 17.80 C ATOM 557 CE1 TYR A 430 -0.317 -5.910 -26.109 1.00 17.80 C ATOM 558 CE2 TYR A 430 -0.444 -8.161 -26.981 1.00 19.77 C ATOM 559 CZ TYR A 430 0.281 -6.998 -26.738 1.00 20.85 C ATOM 560 OH TYR A 430 1.605 -6.917 -27.132 1.00 21.01 O ATOM 561 HH TYR A 430 1.664 -7.038 -28.113 1.00 0.00 H ATOM 562 H TYR A 430 -3.017 -5.954 -23.377 1.00 0.00 H ATOM 563 N GLU A 431 -2.307 -9.232 -23.436 1.00 18.37 N ATOM 564 CA GLU A 431 -1.755 -10.537 -23.075 1.00 19.09 C ATOM 565 C GLU A 431 -2.505 -11.161 -21.895 1.00 18.29 C ATOM 566 O GLU A 431 -2.948 -12.309 -21.978 1.00 18.92 O ATOM 567 CB GLU A 431 -0.275 -10.431 -22.733 1.00 16.65 C ATOM 568 CG GLU A 431 0.626 -10.041 -23.909 1.00 15.25 C ATOM 569 CD GLU A 431 2.013 -9.691 -23.409 1.00 16.60 C ATOM 570 OE1 GLU A 431 2.812 -10.622 -23.170 1.00 18.73 O ATOM 571 OE2 GLU A 431 2.292 -8.483 -23.233 1.00 16.96 O ATOM 572 H GLU A 431 -1.715 -8.382 -23.347 1.00 0.00 H ATOM 573 N TYR A 432 -2.634 -10.402 -20.802 1.00 17.31 N ATOM 574 CA TYR A 432 -3.385 -10.833 -19.621 1.00 18.11 C ATOM 575 C TYR A 432 -4.813 -11.285 -19.971 1.00 19.32 C ATOM 576 O TYR A 432 -5.279 -12.336 -19.507 1.00 18.24 O ATOM 577 CB TYR A 432 -3.394 -9.684 -18.601 1.00 18.45 C ATOM 578 CG TYR A 432 -4.154 -9.921 -17.311 1.00 18.10 C ATOM 579 CD1 TYR A 432 -3.546 -10.557 -16.226 1.00 18.32 C ATOM 580 CD2 TYR A 432 -5.469 -9.453 -17.157 1.00 20.21 C ATOM 581 CE1 TYR A 432 -4.230 -10.734 -15.016 1.00 20.56 C ATOM 582 CE2 TYR A 432 -6.168 -9.641 -15.961 1.00 21.97 C ATOM 583 CZ TYR A 432 -5.541 -10.271 -14.896 1.00 22.46 C ATOM 584 OH TYR A 432 -6.233 -10.438 -13.726 1.00 26.46 O ATOM 585 HH TYR A 432 -5.657 -10.900 -13.066 1.00 0.00 H ATOM 586 H TYR A 432 -2.182 -9.466 -20.790 1.00 0.00 H ATOM 587 N GLU A 433 -5.480 -10.510 -20.825 1.00 18.75 N ATOM 588 CA GLU A 433 -6.862 -10.799 -21.239 1.00 20.45 C ATOM 589 C GLU A 433 -6.983 -12.091 -22.057 1.00 18.12 C ATOM 590 O GLU A 433 -8.038 -12.750 -22.048 1.00 21.61 O ATOM 591 CB GLU A 433 -7.461 -9.606 -21.999 1.00 22.93 C ATOM 592 CG GLU A 433 -7.700 -8.380 -21.124 1.00 25.22 C ATOM 593 CD GLU A 433 -7.813 -7.085 -21.917 1.00 34.44 C ATOM 594 OE1 GLU A 433 -7.881 -7.136 -23.168 1.00 40.12 O ATOM 595 OE2 GLU A 433 -7.830 -6.002 -21.285 1.00 36.59 O ATOM 596 H GLU A 433 -5.006 -9.670 -21.213 1.00 0.00 H ATOM 597 N GLY A 434 -5.894 -12.458 -22.737 1.00 18.60 N ATOM 598 CA GLY A 434 -5.841 -13.668 -23.552 1.00 20.29 C ATOM 599 C GLY A 434 -5.627 -14.952 -22.773 1.00 19.59 C ATOM 600 O GLY A 434 -5.662 -16.028 -23.354 1.00 23.33 O ATOM 601 H GLY A 434 -5.047 -11.856 -22.684 1.00 0.00 H ATOM 602 N GLY A 435 -5.396 -14.837 -21.462 1.00 18.35 N ATOM 603 CA GLY A 435 -5.149 -15.987 -20.581 1.00 19.50 C ATOM 604 C GLY A 435 -4.112 -15.615 -19.540 1.00 16.73 C ATOM 605 O GLY A 435 -2.996 -15.224 -19.874 1.00 17.96 O ATOM 606 H GLY A 435 -5.391 -13.885 -21.044 1.00 0.00 H ATOM 607 N HIS A 436 -4.491 -15.720 -18.268 1.00 17.09 N ATOM 608 CA HIS A 436 -3.605 -15.392 -17.160 1.00 15.88 C ATOM 609 C HIS A 436 -3.809 -16.426 -16.051 1.00 14.66 C ATOM 610 O HIS A 436 -4.738 -17.242 -16.099 1.00 17.32 O ATOM 611 CB HIS A 436 -3.878 -13.976 -16.639 1.00 16.99 C ATOM 612 CG HIS A 436 -5.303 -13.747 -16.239 1.00 18.62 C ATOM 613 ND1 HIS A 436 -6.208 -13.107 -17.058 1.00 18.19 N ATOM 614 CD2 HIS A 436 -5.981 -14.072 -15.110 1.00 19.79 C ATOM 615 CE1 HIS A 436 -7.389 -13.060 -16.457 1.00 21.21 C ATOM 616 NE2 HIS A 436 -7.279 -13.636 -15.272 1.00 19.61 N ATOM 617 H HIS A 436 -5.455 -16.048 -18.058 1.00 0.00 H ATOM 618 N ILE A 437 -2.935 -16.394 -15.055 1.00 14.41 N ATOM 619 CA ILE A 437 -3.032 -17.324 -13.938 1.00 15.85 C ATOM 620 C ILE A 437 -4.195 -16.865 -13.048 1.00 14.56 C ATOM 621 O ILE A 437 -4.313 -15.674 -12.756 1.00 15.11 O ATOM 622 CB ILE A 437 -1.700 -17.364 -13.148 1.00 15.59 C ATOM 623 CG1 ILE A 437 -0.547 -17.749 -14.098 1.00 16.46 C ATOM 624 CG2 ILE A 437 -1.802 -18.365 -11.982 1.00 17.48 C ATOM 625 CD1 ILE A 437 0.830 -17.860 -13.441 1.00 19.80 C ATOM 626 H ILE A 437 -2.167 -15.693 -15.071 1.00 0.00 H ATOM 627 N LYS A 438 -5.056 -17.798 -12.631 1.00 18.17 N ATOM 628 CA LYS A 438 -6.148 -17.472 -11.704 1.00 17.36 C ATOM 629 C LYS A 438 -5.621 -16.730 -10.476 1.00 17.30 C ATOM 630 O LYS A 438 -4.618 -17.139 -9.881 1.00 18.97 O ATOM 631 CB LYS A 438 -6.872 -18.731 -11.250 1.00 18.97 C ATOM 632 CG LYS A 438 -7.619 -19.432 -12.361 1.00 22.57 C ATOM 633 CD LYS A 438 -8.396 -20.614 -11.816 1.00 25.11 C ATOM 634 CE LYS A 438 -9.369 -21.134 -12.856 1.00 29.37 C ATOM 635 NZ LYS A 438 -9.854 -22.493 -12.536 1.00 35.83 N ATOM 636 HZ1 LYS A 438 -9.046 -23.147 -12.493 1.00 0.00 H ATOM 637 HZ2 LYS A 438 -10.340 -22.479 -11.617 1.00 0.00 H ATOM 638 HZ3 LYS A 438 -10.516 -22.806 -13.274 1.00 0.00 H ATOM 639 H LYS A 438 -4.951 -18.776 -12.970 1.00 0.00 H ATOM 640 N THR A 439 -6.325 -15.658 -10.111 1.00 17.06 N ATOM 641 CA THR A 439 -6.021 -14.753 -8.969 1.00 18.82 C ATOM 642 C THR A 439 -4.987 -13.674 -9.281 1.00 16.76 C ATOM 643 O THR A 439 -4.829 -12.742 -8.481 1.00 16.44 O ATOM 644 CB THR A 439 -5.614 -15.452 -7.595 1.00 17.55 C ATOM 645 OG1 THR A 439 -4.231 -15.862 -7.632 1.00 21.16 O ATOM 646 CG2 THR A 439 -6.525 -16.610 -7.220 1.00 22.93 C ATOM 647 HG1 THR A 439 -4.098 -16.504 -8.374 1.00 0.00 H ATOM 648 H THR A 439 -7.167 -15.433 -10.678 1.00 0.00 H ATOM 649 N ALA A 440 -4.302 -13.780 -10.423 1.00 16.45 N ATOM 650 CA ALA A 440 -3.243 -12.816 -10.757 1.00 14.77 C ATOM 651 C ALA A 440 -3.824 -11.420 -10.985 1.00 15.94 C ATOM 652 O ALA A 440 -4.971 -11.258 -11.453 1.00 16.43 O ATOM 653 CB ALA A 440 -2.420 -13.273 -11.977 1.00 16.14 C ATOM 654 H ALA A 440 -4.520 -14.553 -11.083 1.00 0.00 H ATOM 655 N VAL A 441 -3.031 -10.426 -10.603 1.00 16.54 N ATOM 656 CA VAL A 441 -3.328 -9.025 -10.856 1.00 16.77 C ATOM 657 C VAL A 441 -2.424 -8.515 -11.983 1.00 16.61 C ATOM 658 O VAL A 441 -1.247 -8.868 -12.052 1.00 17.68 O ATOM 659 CB VAL A 441 -3.183 -8.168 -9.570 1.00 18.58 C ATOM 660 CG1 VAL A 441 -1.765 -8.209 -9.000 1.00 18.80 C ATOM 661 CG2 VAL A 441 -3.633 -6.744 -9.821 1.00 21.28 C ATOM 662 H VAL A 441 -2.153 -10.661 -10.097 1.00 0.00 H ATOM 663 N ASN A 442 -2.994 -7.723 -12.888 1.00 17.99 N ATOM 664 CA ASN A 442 -2.244 -7.210 -14.041 1.00 16.75 C ATOM 665 C ASN A 442 -1.695 -5.812 -13.728 1.00 17.86 C ATOM 666 O ASN A 442 -2.463 -4.848 -13.643 1.00 18.43 O ATOM 667 CB ASN A 442 -3.150 -7.197 -15.274 1.00 16.39 C ATOM 668 CG ASN A 442 -2.398 -6.929 -16.576 1.00 17.50 C ATOM 669 OD1 ASN A 442 -2.965 -6.335 -17.504 1.00 18.28 O ATOM 670 ND2 ASN A 442 -1.130 -7.353 -16.656 1.00 16.51 N ATOM 671 HD22 ASN A 442 -0.695 -7.848 -15.851 1.00 0.00 H ATOM 672 HD21 ASN A 442 -0.580 -7.188 -17.523 1.00 0.00 H ATOM 673 H ASN A 442 -3.994 -7.461 -12.776 1.00 0.00 H ATOM 674 N LEU A 443 -0.376 -5.709 -13.531 1.00 17.24 N ATOM 675 CA LEU A 443 0.276 -4.436 -13.185 1.00 15.92 C ATOM 676 C LEU A 443 1.507 -4.169 -14.062 1.00 17.38 C ATOM 677 O LEU A 443 2.638 -4.180 -13.555 1.00 17.95 O ATOM 678 CB LEU A 443 0.682 -4.424 -11.696 1.00 15.92 C ATOM 679 CG LEU A 443 -0.447 -4.609 -10.667 1.00 16.86 C ATOM 680 CD1 LEU A 443 0.121 -4.894 -9.264 1.00 19.11 C ATOM 681 CD2 LEU A 443 -1.427 -3.416 -10.648 1.00 21.52 C ATOM 682 H LEU A 443 0.212 -6.562 -13.626 1.00 0.00 H ATOM 683 N PRO A 444 1.302 -3.932 -15.377 1.00 16.99 N ATOM 684 CA PRO A 444 2.463 -3.774 -16.277 1.00 16.71 C ATOM 685 C PRO A 444 3.200 -2.441 -16.157 1.00 17.56 C ATOM 686 O PRO A 444 4.387 -2.382 -16.475 1.00 20.81 O ATOM 687 CB PRO A 444 1.863 -3.928 -17.673 1.00 17.22 C ATOM 688 CG PRO A 444 0.416 -3.551 -17.507 1.00 16.12 C ATOM 689 CD PRO A 444 0.040 -4.046 -16.133 1.00 14.68 C ATOM 690 N LEU A 445 2.518 -1.395 -15.684 1.00 17.65 N ATOM 691 CA LEU A 445 3.153 -0.090 -15.531 1.00 17.08 C ATOM 692 C LEU A 445 3.703 0.040 -14.117 1.00 16.54 C ATOM 693 O LEU A 445 2.998 -0.236 -13.149 1.00 19.01 O ATOM 694 CB LEU A 445 2.174 1.056 -15.840 1.00 19.76 C ATOM 695 CG LEU A 445 1.646 1.134 -17.283 1.00 18.38 C ATOM 696 CD1 LEU A 445 0.539 2.174 -17.435 1.00 22.57 C ATOM 697 CD2 LEU A 445 2.761 1.388 -18.296 1.00 18.77 C ATOM 698 H LEU A 445 1.519 -1.512 -15.421 1.00 0.00 H ATOM 699 N GLU A 446 4.970 0.433 -13.998 1.00 18.64 N ATOM 700 CA GLU A 446 5.610 0.605 -12.683 1.00 18.64 C ATOM 701 C GLU A 446 4.793 1.508 -11.762 1.00 19.34 C ATOM 702 O GLU A 446 4.604 1.179 -10.588 1.00 20.31 O ATOM 703 CB GLU A 446 7.047 1.138 -12.820 1.00 22.09 C ATOM 704 CG GLU A 446 8.004 0.100 -13.402 1.00 24.22 C ATOM 705 CD GLU A 446 9.465 0.522 -13.409 1.00 24.27 C ATOM 706 OE1 GLU A 446 9.766 1.738 -13.337 1.00 25.67 O ATOM 707 OE2 GLU A 446 10.316 -0.392 -13.499 1.00 28.93 O ATOM 708 H GLU A 446 5.523 0.624 -14.858 1.00 0.00 H ATOM 709 N ARG A 447 4.275 2.619 -12.280 1.00 20.82 N ATOM 710 CA ARG A 447 3.476 3.537 -11.429 1.00 21.02 C ATOM 711 C ARG A 447 2.207 2.894 -10.854 1.00 20.82 C ATOM 712 O ARG A 447 1.771 3.234 -9.749 1.00 21.53 O ATOM 713 CB ARG A 447 3.143 4.851 -12.156 1.00 23.90 C ATOM 714 CG ARG A 447 2.187 4.742 -13.366 1.00 20.58 C ATOM 715 CD ARG A 447 2.369 6.001 -14.210 1.00 23.96 C ATOM 716 NE ARG A 447 1.524 6.092 -15.398 1.00 24.60 N ATOM 717 CZ ARG A 447 1.894 5.687 -16.609 1.00 21.43 C ATOM 718 NH1 ARG A 447 3.076 5.113 -16.770 1.00 18.50 N ATOM 719 NH2 ARG A 447 1.072 5.831 -17.653 1.00 23.57 N ATOM 720 HE ARG A 447 0.573 6.499 -15.290 1.00 0.00 H ATOM 721 HH12 ARG A 447 3.374 4.793 -17.713 1.00 0.00 H ATOM 722 HH11 ARG A 447 3.706 4.982 -15.953 1.00 0.00 H ATOM 723 HH22 ARG A 447 1.369 5.511 -18.597 1.00 0.00 H ATOM 724 HH21 ARG A 447 0.135 6.263 -17.521 1.00 0.00 H ATOM 725 H ARG A 447 4.430 2.845 -13.283 1.00 0.00 H ATOM 726 N ASP A 448 1.619 1.973 -11.610 1.00 19.47 N ATOM 727 CA ASP A 448 0.460 1.233 -11.138 1.00 20.45 C ATOM 728 C ASP A 448 0.831 0.114 -10.162 1.00 16.88 C ATOM 729 O ASP A 448 0.127 -0.102 -9.163 1.00 19.25 O ATOM 730 CB ASP A 448 -0.349 0.692 -12.312 1.00 22.39 C ATOM 731 CG ASP A 448 -0.961 1.795 -13.159 1.00 24.91 C ATOM 732 OD1 ASP A 448 -1.146 2.939 -12.666 1.00 23.73 O ATOM 733 OD2 ASP A 448 -1.273 1.519 -14.331 1.00 25.82 O ATOM 734 H ASP A 448 1.996 1.777 -12.559 1.00 0.00 H ATOM 735 N ALA A 449 1.940 -0.582 -10.424 1.00 17.75 N ATOM 736 CA ALA A 449 2.428 -1.597 -9.484 1.00 17.13 C ATOM 737 C ALA A 449 2.772 -0.943 -8.143 1.00 17.94 C ATOM 738 O ALA A 449 2.423 -1.472 -7.083 1.00 19.09 O ATOM 739 CB ALA A 449 3.628 -2.329 -10.048 1.00 18.47 C ATOM 740 H ALA A 449 2.464 -0.402 -11.304 1.00 0.00 H ATOM 741 N GLU A 450 3.439 0.213 -8.197 1.00 18.02 N ATOM 742 CA GLU A 450 3.790 0.944 -6.985 1.00 18.35 C ATOM 743 C GLU A 450 2.540 1.376 -6.190 1.00 19.26 C ATOM 744 O GLU A 450 2.467 1.195 -4.973 1.00 19.96 O ATOM 745 CB GLU A 450 4.681 2.140 -7.311 1.00 20.04 C ATOM 746 CG GLU A 450 5.081 2.939 -6.082 1.00 21.66 C ATOM 747 CD GLU A 450 5.993 4.094 -6.379 1.00 25.69 C ATOM 748 OE1 GLU A 450 6.194 4.426 -7.559 1.00 32.02 O ATOM 749 OE2 GLU A 450 6.520 4.673 -5.409 1.00 33.58 O ATOM 750 H GLU A 450 3.714 0.600 -9.123 1.00 0.00 H ATOM 751 N SER A 451 1.553 1.932 -6.878 1.00 20.16 N ATOM 752 CA SER A 451 0.317 2.318 -6.217 1.00 20.42 C ATOM 753 C SER A 451 -0.381 1.107 -5.593 1.00 19.06 C ATOM 754 O SER A 451 -0.755 1.131 -4.412 1.00 22.24 O ATOM 755 CB SER A 451 -0.624 3.009 -7.200 1.00 24.25 C ATOM 756 OG SER A 451 -1.673 3.626 -6.489 1.00 34.78 O ATOM 757 HG SER A 451 -2.172 2.940 -5.979 1.00 0.00 H ATOM 758 H SER A 451 1.664 2.094 -7.899 1.00 0.00 H ATOM 759 N PHE A 452 -0.557 0.049 -6.383 1.00 16.90 N ATOM 760 CA PHE A 452 -1.283 -1.131 -5.920 1.00 17.79 C ATOM 761 C PHE A 452 -0.610 -1.793 -4.717 1.00 17.53 C ATOM 762 O PHE A 452 -1.294 -2.219 -3.773 1.00 19.51 O ATOM 763 CB PHE A 452 -1.456 -2.150 -7.062 1.00 18.35 C ATOM 764 CG PHE A 452 -2.306 -3.350 -6.698 1.00 18.26 C ATOM 765 CD1 PHE A 452 -1.729 -4.501 -6.151 1.00 19.08 C ATOM 766 CD2 PHE A 452 -3.684 -3.340 -6.935 1.00 21.56 C ATOM 767 CE1 PHE A 452 -2.512 -5.618 -5.834 1.00 21.42 C ATOM 768 CE2 PHE A 452 -4.473 -4.440 -6.608 1.00 24.81 C ATOM 769 CZ PHE A 452 -3.889 -5.587 -6.061 1.00 22.93 C ATOM 770 H PHE A 452 -0.170 0.063 -7.348 1.00 0.00 H ATOM 771 N LEU A 453 0.717 -1.879 -4.754 1.00 17.63 N ATOM 772 CA LEU A 453 1.459 -2.610 -3.728 1.00 15.80 C ATOM 773 C LEU A 453 1.873 -1.752 -2.550 1.00 16.84 C ATOM 774 O LEU A 453 1.944 -2.240 -1.422 1.00 20.55 O ATOM 775 CB LEU A 453 2.705 -3.291 -4.331 1.00 15.71 C ATOM 776 CG LEU A 453 2.405 -4.386 -5.359 1.00 15.31 C ATOM 777 CD1 LEU A 453 3.671 -4.801 -6.136 1.00 18.60 C ATOM 778 CD2 LEU A 453 1.703 -5.599 -4.708 1.00 17.03 C ATOM 779 H LEU A 453 1.237 -1.417 -5.528 1.00 0.00 H ATOM 780 N LEU A 454 2.148 -0.478 -2.792 1.00 17.13 N ATOM 781 CA LEU A 454 2.777 0.325 -1.737 1.00 19.90 C ATOM 782 C LEU A 454 1.991 1.506 -1.172 1.00 21.48 C ATOM 783 O LEU A 454 2.386 2.053 -0.137 1.00 23.88 O ATOM 784 CB LEU A 454 4.200 0.755 -2.152 1.00 20.06 C ATOM 785 CG LEU A 454 5.277 -0.340 -2.210 1.00 21.65 C ATOM 786 CD1 LEU A 454 6.529 0.147 -2.949 1.00 23.38 C ATOM 787 CD2 LEU A 454 5.651 -0.856 -0.809 1.00 20.31 C ATOM 788 H LEU A 454 1.922 -0.054 -3.715 1.00 0.00 H ATOM 789 N LYS A 455 0.906 1.922 -1.825 1.00 21.77 N ATOM 790 CA LYS A 455 0.112 3.028 -1.283 1.00 25.89 C ATOM 791 C LYS A 455 -0.487 2.581 0.046 1.00 23.44 C ATOM 792 O LYS A 455 -0.447 3.308 1.050 1.00 26.26 O ATOM 793 CB LYS A 455 -0.988 3.466 -2.250 1.00 27.58 C ATOM 794 CG LYS A 455 -1.855 4.619 -1.716 1.00 27.70 C ATOM 795 CD LYS A 455 -2.827 5.149 -2.749 1.00 37.93 C ATOM 796 CE LYS A 455 -3.683 6.269 -2.161 1.00 38.87 C ATOM 797 NZ LYS A 455 -4.927 6.541 -2.972 1.00 43.35 N ATOM 798 HZ1 LYS A 455 -4.656 6.820 -3.937 1.00 0.00 H ATOM 799 HZ2 LYS A 455 -5.510 5.681 -3.009 1.00 0.00 H ATOM 800 HZ3 LYS A 455 -5.469 7.309 -2.527 1.00 0.00 H ATOM 801 H LYS A 455 0.624 1.464 -2.715 1.00 0.00 H ATOM 802 N SER A 456 -1.044 1.376 0.036 1.00 24.64 N ATOM 803 CA SER A 456 -1.567 0.744 1.234 1.00 27.12 C ATOM 804 C SER A 456 -1.109 -0.718 1.228 1.00 24.40 C ATOM 805 O SER A 456 -1.773 -1.585 0.650 1.00 25.30 O ATOM 806 CB SER A 456 -3.087 0.868 1.291 1.00 29.83 C ATOM 807 OG SER A 456 -3.571 0.335 2.500 1.00 34.58 O ATOM 808 HG SER A 456 -4.557 0.421 2.526 1.00 0.00 H ATOM 809 H SER A 456 -1.108 0.864 -0.867 1.00 0.00 H ATOM 810 N PRO A 457 0.061 -0.990 1.843 1.00 22.38 N ATOM 811 CA PRO A 457 0.681 -2.306 1.668 1.00 20.74 C ATOM 812 C PRO A 457 -0.212 -3.466 2.093 1.00 21.23 C ATOM 813 O PRO A 457 -1.034 -3.345 3.030 1.00 21.90 O ATOM 814 CB PRO A 457 1.940 -2.227 2.538 1.00 21.33 C ATOM 815 CG PRO A 457 2.288 -0.756 2.525 1.00 21.64 C ATOM 816 CD PRO A 457 0.952 -0.047 2.546 1.00 21.30 C ATOM 817 N ILE A 458 -0.056 -4.565 1.374 1.00 20.59 N ATOM 818 CA ILE A 458 -0.780 -5.805 1.619 1.00 21.27 C ATOM 819 C ILE A 458 -0.054 -6.544 2.730 1.00 22.09 C ATOM 820 O ILE A 458 1.081 -7.011 2.555 1.00 21.10 O ATOM 821 CB ILE A 458 -0.844 -6.651 0.322 1.00 20.65 C ATOM 822 CG1 ILE A 458 -1.529 -5.849 -0.796 1.00 19.89 C ATOM 823 CG2 ILE A 458 -1.580 -7.968 0.565 1.00 21.91 C ATOM 824 CD1 ILE A 458 -1.291 -6.393 -2.184 1.00 22.11 C ATOM 825 H ILE A 458 0.624 -4.543 0.587 1.00 0.00 H ATOM 826 N ALA A 459 -0.718 -6.629 3.879 1.00 24.05 N ATOM 827 CA ALA A 459 -0.104 -7.124 5.109 1.00 24.45 C ATOM 828 C ALA A 459 -0.755 -8.429 5.534 1.00 27.08 C ATOM 829 O ALA A 459 -1.948 -8.619 5.289 1.00 28.99 O ATOM 830 CB ALA A 459 -0.242 -6.084 6.201 1.00 28.42 C ATOM 831 H ALA A 459 -1.714 -6.331 3.903 1.00 0.00 H ATOM 832 N PRO A 460 0.011 -9.332 6.182 1.00 26.20 N ATOM 833 CA PRO A 460 -0.628 -10.569 6.631 1.00 27.98 C ATOM 834 C PRO A 460 -1.552 -10.269 7.801 1.00 34.52 C ATOM 835 O PRO A 460 -1.356 -9.263 8.501 1.00 32.38 O ATOM 836 CB PRO A 460 0.549 -11.429 7.091 1.00 29.34 C ATOM 837 CG PRO A 460 1.557 -10.437 7.562 1.00 31.60 C ATOM 838 CD PRO A 460 1.409 -9.235 6.657 1.00 29.53 C ATOM 839 N CYS A 461 -2.554 -11.118 8.006 1.00 40.17 N ATOM 840 CA CYS A 461 -3.525 -10.902 9.077 1.00 56.87 C ATOM 841 C CYS A 461 -3.017 -11.429 10.409 1.00 60.93 C ATOM 842 O CYS A 461 -3.647 -11.217 11.440 1.00 95.73 O ATOM 843 CB CYS A 461 -4.874 -11.538 8.733 1.00 60.73 C ATOM 844 SG CYS A 461 -5.677 -10.827 7.263 1.00 89.18 S ATOM 845 H CYS A 461 -2.649 -11.952 7.392 1.00 0.00 H ATOM 846 N SER A 462 -1.874 -12.107 10.376 1.00 58.62 N ATOM 847 CA SER A 462 -1.233 -12.627 11.573 1.00 60.16 C ATOM 848 C SER A 462 0.257 -12.302 11.508 1.00 53.88 C ATOM 849 O SER A 462 0.894 -12.516 10.475 1.00 47.50 O ATOM 850 CB SER A 462 -1.446 -14.140 11.654 1.00 60.74 C ATOM 851 OG SER A 462 -1.131 -14.648 12.934 1.00 62.37 O ATOM 852 HG SER A 462 -1.281 -15.626 12.946 1.00 0.00 H ATOM 853 H SER A 462 -1.419 -12.272 9.455 1.00 0.00 H ATOM 854 N LEU A 463 0.805 -11.789 12.608 1.00 53.84 N ATOM 855 CA LEU A 463 2.230 -11.434 12.688 1.00 51.42 C ATOM 856 C LEU A 463 3.136 -12.642 12.406 1.00 45.86 C ATOM 857 O LEU A 463 4.241 -12.495 11.869 1.00 47.43 O ATOM 858 CB LEU A 463 2.548 -10.819 14.064 1.00 62.30 C ATOM 859 CG LEU A 463 3.578 -9.685 14.219 1.00 67.38 C ATOM 860 CD1 LEU A 463 5.028 -10.185 14.170 1.00 69.10 C ATOM 861 CD2 LEU A 463 3.353 -8.568 13.193 1.00 61.52 C ATOM 862 H LEU A 463 0.203 -11.634 13.442 1.00 0.00 H ATOM 863 N ASP A 464 2.646 -13.831 12.749 1.00 45.30 N ATOM 864 CA ASP A 464 3.364 -15.086 12.524 1.00 42.42 C ATOM 865 C ASP A 464 3.381 -15.502 11.051 1.00 41.23 C ATOM 866 O ASP A 464 4.207 -16.321 10.645 1.00 45.11 O ATOM 867 CB ASP A 464 2.748 -16.211 13.372 1.00 51.09 C ATOM 868 CG ASP A 464 2.581 -15.828 14.832 1.00 60.71 C ATOM 869 OD1 ASP A 464 3.255 -14.877 15.291 1.00 71.05 O ATOM 870 OD2 ASP A 464 1.773 -16.482 15.529 1.00 67.73 O ATOM 871 H ASP A 464 1.709 -13.870 13.198 1.00 0.00 H ATOM 872 N LYS A 465 2.483 -14.930 10.248 1.00 29.05 N ATOM 873 CA LYS A 465 2.311 -15.371 8.868 1.00 22.68 C ATOM 874 C LYS A 465 3.011 -14.469 7.839 1.00 22.56 C ATOM 875 O LYS A 465 3.411 -13.341 8.150 1.00 26.09 O ATOM 876 CB LYS A 465 0.825 -15.561 8.544 1.00 23.80 C ATOM 877 CG LYS A 465 0.163 -16.700 9.330 1.00 26.60 C ATOM 878 CD LYS A 465 -1.341 -16.768 9.066 1.00 26.81 C ATOM 879 CE LYS A 465 -1.668 -17.637 7.857 1.00 24.14 C ATOM 880 NZ LYS A 465 -3.122 -17.562 7.513 1.00 29.23 N ATOM 881 HZ1 LYS A 465 -3.686 -17.893 8.322 1.00 0.00 H ATOM 882 HZ2 LYS A 465 -3.374 -16.578 7.292 1.00 0.00 H ATOM 883 HZ3 LYS A 465 -3.313 -18.164 6.687 1.00 0.00 H ATOM 884 H LYS A 465 1.894 -14.154 10.613 1.00 0.00 H ATOM 885 N ARG A 466 3.167 -14.987 6.623 1.00 18.29 N ATOM 886 CA ARG A 466 3.939 -14.327 5.561 1.00 18.42 C ATOM 887 C ARG A 466 3.065 -13.785 4.446 1.00 17.66 C ATOM 888 O ARG A 466 1.992 -14.337 4.143 1.00 17.89 O ATOM 889 CB ARG A 466 4.906 -15.326 4.911 1.00 17.47 C ATOM 890 CG ARG A 466 5.999 -15.884 5.789 1.00 18.50 C ATOM 891 CD ARG A 466 6.845 -16.854 4.978 1.00 18.62 C ATOM 892 NE ARG A 466 7.806 -17.607 5.793 1.00 19.62 N ATOM 893 CZ ARG A 466 9.118 -17.698 5.543 1.00 20.23 C ATOM 894 NH1 ARG A 466 9.670 -17.064 4.514 1.00 16.81 N ATOM 895 NH2 ARG A 466 9.886 -18.422 6.339 1.00 19.75 N ATOM 896 HE ARG A 466 7.440 -18.108 6.628 1.00 0.00 H ATOM 897 HH12 ARG A 466 10.692 -17.149 4.338 1.00 0.00 H ATOM 898 HH11 ARG A 466 9.081 -16.483 3.884 1.00 0.00 H ATOM 899 HH22 ARG A 466 10.906 -18.497 6.150 1.00 0.00 H ATOM 900 HH21 ARG A 466 9.470 -18.917 7.154 1.00 0.00 H ATOM 901 H ARG A 466 2.721 -15.903 6.414 1.00 0.00 H ATOM 902 N VAL A 467 3.545 -12.699 3.849 1.00 15.58 N ATOM 903 CA VAL A 467 3.080 -12.227 2.545 1.00 16.32 C ATOM 904 C VAL A 467 4.206 -12.464 1.534 1.00 15.26 C ATOM 905 O VAL A 467 5.377 -12.142 1.812 1.00 16.51 O ATOM 906 CB VAL A 467 2.742 -10.725 2.591 1.00 15.97 C ATOM 907 CG1 VAL A 467 2.442 -10.170 1.195 1.00 17.07 C ATOM 908 CG2 VAL A 467 1.574 -10.490 3.512 1.00 17.24 C ATOM 909 H VAL A 467 4.289 -12.157 4.334 1.00 0.00 H ATOM 910 N ILE A 468 3.862 -13.026 0.376 1.00 15.70 N ATOM 911 CA ILE A 468 4.843 -13.287 -0.684 1.00 15.55 C ATOM 912 C ILE A 468 4.374 -12.633 -1.969 1.00 14.45 C ATOM 913 O ILE A 468 3.176 -12.646 -2.257 1.00 16.06 O ATOM 914 CB ILE A 468 5.029 -14.813 -0.891 1.00 15.10 C ATOM 915 CG1 ILE A 468 5.661 -15.427 0.374 1.00 17.23 C ATOM 916 CG2 ILE A 468 5.845 -15.116 -2.168 1.00 16.37 C ATOM 917 CD1 ILE A 468 5.696 -16.941 0.416 1.00 18.37 C ATOM 918 H ILE A 468 2.868 -13.288 0.218 1.00 0.00 H ATOM 919 N LEU A 469 5.302 -12.053 -2.732 1.00 13.77 N ATOM 920 CA LEU A 469 4.985 -11.605 -4.103 1.00 13.58 C ATOM 921 C LEU A 469 5.612 -12.529 -5.126 1.00 14.59 C ATOM 922 O LEU A 469 6.745 -12.974 -4.957 1.00 15.60 O ATOM 923 CB LEU A 469 5.481 -10.178 -4.384 1.00 13.63 C ATOM 924 CG LEU A 469 5.025 -9.052 -3.451 1.00 14.49 C ATOM 925 CD1 LEU A 469 5.472 -7.705 -4.007 1.00 17.55 C ATOM 926 CD2 LEU A 469 3.492 -9.064 -3.235 1.00 15.37 C ATOM 927 H LEU A 469 6.262 -11.914 -2.356 1.00 0.00 H ATOM 928 N ILE A 470 4.864 -12.822 -6.181 1.00 12.60 N ATOM 929 CA ILE A 470 5.404 -13.571 -7.307 1.00 12.86 C ATOM 930 C ILE A 470 5.235 -12.717 -8.551 1.00 15.24 C ATOM 931 O ILE A 470 4.108 -12.391 -8.916 1.00 17.14 O ATOM 932 CB ILE A 470 4.676 -14.943 -7.566 1.00 14.63 C ATOM 933 CG1 ILE A 470 4.507 -15.775 -6.284 1.00 19.98 C ATOM 934 CG2 ILE A 470 5.407 -15.724 -8.692 1.00 15.72 C ATOM 935 CD1 ILE A 470 5.745 -16.175 -5.619 1.00 21.12 C ATOM 936 H ILE A 470 3.872 -12.511 -6.205 1.00 0.00 H ATOM 937 N PHE A 471 6.344 -12.373 -9.210 1.00 15.18 N ATOM 938 CA PHE A 471 6.287 -11.608 -10.460 1.00 13.72 C ATOM 939 C PHE A 471 6.470 -12.544 -11.639 1.00 13.96 C ATOM 940 O PHE A 471 7.275 -13.479 -11.587 1.00 14.27 O ATOM 941 CB PHE A 471 7.385 -10.523 -10.508 1.00 12.36 C ATOM 942 CG PHE A 471 7.238 -9.476 -9.446 1.00 13.82 C ATOM 943 CD1 PHE A 471 7.780 -9.682 -8.158 1.00 14.07 C ATOM 944 CD2 PHE A 471 6.567 -8.286 -9.713 1.00 14.43 C ATOM 945 CE1 PHE A 471 7.613 -8.706 -7.138 1.00 15.15 C ATOM 946 CE2 PHE A 471 6.403 -7.296 -8.708 1.00 14.22 C ATOM 947 CZ PHE A 471 6.925 -7.500 -7.423 1.00 14.78 C ATOM 948 H PHE A 471 7.270 -12.654 -8.828 1.00 0.00 H ATOM 949 N HIS A 472 5.741 -12.291 -12.719 1.00 13.91 N ATOM 950 CA HIS A 472 6.023 -13.022 -13.945 1.00 14.41 C ATOM 951 C HIS A 472 5.685 -12.172 -15.147 1.00 15.50 C ATOM 952 O HIS A 472 4.969 -11.163 -15.036 1.00 15.16 O ATOM 953 CB HIS A 472 5.261 -14.367 -13.982 1.00 16.26 C ATOM 954 CG HIS A 472 3.821 -14.251 -14.396 1.00 17.63 C ATOM 955 ND1 HIS A 472 3.427 -14.210 -15.718 1.00 16.60 N ATOM 956 CD2 HIS A 472 2.681 -14.212 -13.662 1.00 17.05 C ATOM 957 CE1 HIS A 472 2.105 -14.131 -15.779 1.00 18.14 C ATOM 958 NE2 HIS A 472 1.628 -14.127 -14.544 1.00 18.34 N ATOM 959 H HIS A 472 4.981 -11.582 -12.689 1.00 0.00 H ATOM 960 N SER A 473 6.215 -12.578 -16.298 1.00 14.50 N ATOM 961 CA SER A 473 5.814 -11.980 -17.559 1.00 16.64 C ATOM 962 C SER A 473 5.575 -13.115 -18.575 1.00 14.73 C ATOM 963 O SER A 473 5.132 -14.208 -18.179 1.00 16.26 O ATOM 964 CB SER A 473 6.806 -10.891 -17.986 1.00 17.77 C ATOM 965 OG SER A 473 8.160 -11.345 -17.884 1.00 18.23 O ATOM 966 HG SER A 473 8.772 -10.620 -18.166 1.00 0.00 H ATOM 967 H SER A 473 6.928 -13.335 -16.294 1.00 0.00 H ATOM 968 N GLU A 474 5.823 -12.882 -19.856 1.00 14.84 N ATOM 969 CA GLU A 474 5.589 -13.949 -20.826 1.00 14.77 C ATOM 970 C GLU A 474 6.615 -15.070 -20.679 1.00 16.57 C ATOM 971 O GLU A 474 6.250 -16.247 -20.561 1.00 16.58 O ATOM 972 CB GLU A 474 5.576 -13.409 -22.257 1.00 14.05 C ATOM 973 CG GLU A 474 5.232 -14.484 -23.299 1.00 16.64 C ATOM 974 CD GLU A 474 5.128 -13.951 -24.715 1.00 18.39 C ATOM 975 OE1 GLU A 474 5.339 -12.735 -24.936 1.00 20.06 O ATOM 976 OE2 GLU A 474 4.831 -14.768 -25.618 1.00 21.83 O ATOM 977 H GLU A 474 6.178 -11.955 -20.165 1.00 0.00 H ATOM 978 N PHE A 475 7.895 -14.694 -20.711 1.00 15.83 N ATOM 979 CA PHE A 475 8.982 -15.648 -20.546 1.00 16.64 C ATOM 980 C PHE A 475 9.650 -15.484 -19.195 1.00 17.02 C ATOM 981 O PHE A 475 10.543 -16.268 -18.849 1.00 18.05 O ATOM 982 CB PHE A 475 10.016 -15.448 -21.658 1.00 18.93 C ATOM 983 CG PHE A 475 9.431 -15.586 -23.032 1.00 20.52 C ATOM 984 CD1 PHE A 475 9.142 -16.842 -23.548 1.00 25.16 C ATOM 985 CD2 PHE A 475 9.127 -14.454 -23.789 1.00 23.05 C ATOM 986 CE1 PHE A 475 8.586 -16.977 -24.809 1.00 27.32 C ATOM 987 CE2 PHE A 475 8.549 -14.572 -25.046 1.00 22.50 C ATOM 988 CZ PHE A 475 8.294 -15.836 -25.564 1.00 28.90 C ATOM 989 H PHE A 475 8.123 -13.690 -20.858 1.00 0.00 H ATOM 990 N SER A 476 9.210 -14.463 -18.453 1.00 14.55 N ATOM 991 CA SER A 476 9.875 -13.975 -17.242 1.00 15.77 C ATOM 992 C SER A 476 11.351 -13.690 -17.485 1.00 17.71 C ATOM 993 O SER A 476 12.207 -13.963 -16.621 1.00 19.96 O ATOM 994 CB SER A 476 9.679 -14.928 -16.060 1.00 16.85 C ATOM 995 OG SER A 476 8.359 -14.830 -15.535 1.00 15.04 O ATOM 996 HG SER A 476 8.261 -15.455 -14.774 1.00 0.00 H ATOM 997 H SER A 476 8.338 -13.983 -18.755 1.00 0.00 H ATOM 998 N SER A 477 11.639 -13.136 -18.664 1.00 16.86 N ATOM 999 CA SER A 477 13.002 -12.815 -19.062 1.00 18.76 C ATOM 1000 C SER A 477 13.361 -11.348 -18.772 1.00 17.78 C ATOM 1001 O SER A 477 14.478 -11.039 -18.337 1.00 23.91 O ATOM 1002 CB SER A 477 13.179 -13.138 -20.549 1.00 22.49 C ATOM 1003 OG SER A 477 14.409 -12.661 -21.026 1.00 25.73 O ATOM 1004 HG SER A 477 14.497 -12.883 -21.987 1.00 0.00 H ATOM 1005 H SER A 477 10.862 -12.926 -19.322 1.00 0.00 H ATOM 1006 N GLU A 478 12.406 -10.453 -19.024 1.00 17.31 N ATOM 1007 CA GLU A 478 12.639 -9.018 -18.921 1.00 21.14 C ATOM 1008 C GLU A 478 11.637 -8.307 -18.013 1.00 18.99 C ATOM 1009 O GLU A 478 12.007 -7.741 -16.984 1.00 20.69 O ATOM 1010 CB GLU A 478 12.618 -8.371 -20.317 1.00 23.80 C ATOM 1011 CG GLU A 478 13.562 -9.014 -21.344 1.00 29.02 C ATOM 1012 CD GLU A 478 15.033 -8.819 -21.011 1.00 39.69 C ATOM 1013 OE1 GLU A 478 15.353 -7.874 -20.259 1.00 44.42 O ATOM 1014 OE2 GLU A 478 15.879 -9.603 -21.514 1.00 47.63 O ATOM 1015 H GLU A 478 11.463 -10.790 -19.304 1.00 0.00 H ATOM 1016 N ARG A 479 10.366 -8.328 -18.389 1.00 17.46 N ATOM 1017 CA ARG A 479 9.387 -7.492 -17.696 1.00 14.78 C ATOM 1018 C ARG A 479 9.169 -7.882 -16.245 1.00 16.03 C ATOM 1019 O ARG A 479 9.067 -7.001 -15.389 1.00 16.81 O ATOM 1020 CB ARG A 479 8.067 -7.455 -18.470 1.00 17.47 C ATOM 1021 CG ARG A 479 8.185 -6.643 -19.756 1.00 17.76 C ATOM 1022 CD ARG A 479 6.935 -6.756 -20.627 1.00 16.93 C ATOM 1023 NE ARG A 479 6.686 -8.119 -21.091 1.00 15.61 N ATOM 1024 CZ ARG A 479 5.580 -8.491 -21.742 1.00 16.07 C ATOM 1025 NH1 ARG A 479 4.643 -7.591 -22.022 1.00 18.91 N ATOM 1026 NH2 ARG A 479 5.412 -9.751 -22.121 1.00 14.07 N ATOM 1027 HE ARG A 479 7.411 -8.841 -20.904 1.00 0.00 H ATOM 1028 HH12 ARG A 479 3.781 -7.878 -22.529 1.00 0.00 H ATOM 1029 HH11 ARG A 479 4.772 -6.600 -21.735 1.00 0.00 H ATOM 1030 HH22 ARG A 479 4.548 -10.031 -22.627 1.00 0.00 H ATOM 1031 HH21 ARG A 479 6.145 -10.459 -21.912 1.00 0.00 H ATOM 1032 H ARG A 479 10.066 -8.938 -19.176 1.00 0.00 H ATOM 1033 N GLY A 480 9.095 -9.191 -15.980 1.00 14.93 N ATOM 1034 CA GLY A 480 8.913 -9.705 -14.621 1.00 16.63 C ATOM 1035 C GLY A 480 10.072 -9.312 -13.706 1.00 17.03 C ATOM 1036 O GLY A 480 9.853 -8.662 -12.661 1.00 17.34 O ATOM 1037 H GLY A 480 9.169 -9.867 -16.767 1.00 0.00 H ATOM 1038 N PRO A 481 11.314 -9.690 -14.085 1.00 17.05 N ATOM 1039 CA PRO A 481 12.489 -9.302 -13.280 1.00 16.98 C ATOM 1040 C PRO A 481 12.623 -7.788 -13.064 1.00 16.19 C ATOM 1041 O PRO A 481 12.955 -7.359 -11.962 1.00 17.72 O ATOM 1042 CB PRO A 481 13.673 -9.849 -14.099 1.00 18.30 C ATOM 1043 CG PRO A 481 13.089 -11.071 -14.798 1.00 18.57 C ATOM 1044 CD PRO A 481 11.648 -10.721 -15.091 1.00 16.61 C ATOM 1045 N ARG A 482 12.355 -6.993 -14.107 1.00 17.27 N ATOM 1046 CA ARG A 482 12.395 -5.535 -14.006 1.00 15.54 C ATOM 1047 C ARG A 482 11.451 -5.005 -12.931 1.00 14.41 C ATOM 1048 O ARG A 482 11.840 -4.172 -12.109 1.00 15.32 O ATOM 1049 CB ARG A 482 12.050 -4.892 -15.356 1.00 15.61 C ATOM 1050 CG ARG A 482 11.866 -3.389 -15.297 1.00 22.30 C ATOM 1051 CD ARG A 482 11.519 -2.846 -16.680 1.00 27.84 C ATOM 1052 NE ARG A 482 11.320 -1.400 -16.696 1.00 31.78 N ATOM 1053 CZ ARG A 482 10.134 -0.793 -16.666 1.00 35.05 C ATOM 1054 NH1 ARG A 482 10.082 0.534 -16.698 1.00 39.05 N ATOM 1055 NH2 ARG A 482 9.002 -1.499 -16.609 1.00 30.48 N ATOM 1056 HE ARG A 482 12.167 -0.798 -16.734 1.00 0.00 H ATOM 1057 HH12 ARG A 482 9.162 1.019 -16.675 1.00 0.00 H ATOM 1058 HH11 ARG A 482 10.961 1.088 -16.746 1.00 0.00 H ATOM 1059 HH22 ARG A 482 8.085 -1.010 -16.586 1.00 0.00 H ATOM 1060 HH21 ARG A 482 9.038 -2.538 -16.587 1.00 0.00 H ATOM 1061 H ARG A 482 12.110 -7.427 -15.020 1.00 0.00 H ATOM 1062 N MET A 483 10.221 -5.517 -12.921 1.00 14.26 N ATOM 1063 CA MET A 483 9.225 -5.047 -11.964 1.00 15.07 C ATOM 1064 C MET A 483 9.619 -5.445 -10.550 1.00 15.40 C ATOM 1065 O MET A 483 9.464 -4.665 -9.606 1.00 17.12 O ATOM 1066 CB MET A 483 7.842 -5.598 -12.306 1.00 15.79 C ATOM 1067 CG MET A 483 6.704 -4.894 -11.547 1.00 18.09 C ATOM 1068 SD MET A 483 6.585 -3.121 -11.940 1.00 19.88 S ATOM 1069 CE MET A 483 5.920 -3.142 -13.613 1.00 20.89 C ATOM 1070 H MET A 483 9.968 -6.260 -13.603 1.00 0.00 H ATOM 1071 N CYS A 484 10.122 -6.665 -10.410 1.00 15.27 N ATOM 1072 CA CYS A 484 10.585 -7.173 -9.117 1.00 15.69 C ATOM 1073 C CYS A 484 11.670 -6.246 -8.529 1.00 18.04 C ATOM 1074 O CYS A 484 11.582 -5.815 -7.369 1.00 17.56 O ATOM 1075 CB CYS A 484 11.107 -8.605 -9.287 1.00 17.01 C ATOM 1076 SG CYS A 484 11.587 -9.439 -7.765 1.00 18.28 S ATOM 1077 H CYS A 484 10.190 -7.280 -11.246 1.00 0.00 H ATOM 1078 N ARG A 485 12.662 -5.896 -9.341 1.00 17.59 N ATOM 1079 CA ARG A 485 13.725 -5.007 -8.864 1.00 16.49 C ATOM 1080 C ARG A 485 13.176 -3.629 -8.512 1.00 16.16 C ATOM 1081 O ARG A 485 13.570 -3.028 -7.504 1.00 18.46 O ATOM 1082 CB ARG A 485 14.840 -4.873 -9.899 1.00 16.57 C ATOM 1083 CG ARG A 485 15.621 -6.151 -10.143 1.00 18.53 C ATOM 1084 CD ARG A 485 16.792 -5.895 -11.093 1.00 24.68 C ATOM 1085 NE ARG A 485 17.442 -7.134 -11.528 1.00 28.87 N ATOM 1086 CZ ARG A 485 18.266 -7.870 -10.784 1.00 29.10 C ATOM 1087 NH1 ARG A 485 18.576 -7.496 -9.547 1.00 30.67 N ATOM 1088 NH2 ARG A 485 18.804 -8.983 -11.288 1.00 31.49 N ATOM 1089 HE ARG A 485 17.244 -7.465 -12.494 1.00 0.00 H ATOM 1090 HH12 ARG A 485 19.220 -8.077 -8.974 1.00 0.00 H ATOM 1091 HH11 ARG A 485 18.174 -6.622 -9.152 1.00 0.00 H ATOM 1092 HH22 ARG A 485 19.447 -9.558 -10.708 1.00 0.00 H ATOM 1093 HH21 ARG A 485 18.580 -9.275 -12.261 1.00 0.00 H ATOM 1094 H ARG A 485 12.684 -6.254 -10.317 1.00 0.00 H ATOM 1095 N PHE A 486 12.256 -3.135 -9.340 1.00 16.39 N ATOM 1096 CA PHE A 486 11.658 -1.826 -9.105 1.00 17.35 C ATOM 1097 C PHE A 486 10.918 -1.796 -7.772 1.00 17.04 C ATOM 1098 O PHE A 486 11.098 -0.871 -6.969 1.00 16.58 O ATOM 1099 CB PHE A 486 10.744 -1.412 -10.258 1.00 17.64 C ATOM 1100 CG PHE A 486 9.846 -0.250 -9.928 1.00 16.58 C ATOM 1101 CD1 PHE A 486 10.323 1.057 -9.967 1.00 19.91 C ATOM 1102 CD2 PHE A 486 8.517 -0.464 -9.574 1.00 19.31 C ATOM 1103 CE1 PHE A 486 9.483 2.143 -9.676 1.00 20.10 C ATOM 1104 CE2 PHE A 486 7.666 0.620 -9.269 1.00 19.61 C ATOM 1105 CZ PHE A 486 8.146 1.917 -9.322 1.00 19.85 C ATOM 1106 H PHE A 486 11.960 -3.692 -10.167 1.00 0.00 H ATOM 1107 N ILE A 487 10.100 -2.812 -7.520 1.00 15.67 N ATOM 1108 CA ILE A 487 9.367 -2.842 -6.253 1.00 15.07 C ATOM 1109 C ILE A 487 10.333 -2.886 -5.056 1.00 15.73 C ATOM 1110 O ILE A 487 10.114 -2.195 -4.045 1.00 16.28 O ATOM 1111 CB ILE A 487 8.324 -3.978 -6.213 1.00 15.23 C ATOM 1112 CG1 ILE A 487 7.169 -3.658 -7.184 1.00 15.96 C ATOM 1113 CG2 ILE A 487 7.824 -4.199 -4.777 1.00 15.41 C ATOM 1114 CD1 ILE A 487 6.465 -2.302 -6.938 1.00 16.39 C ATOM 1115 H ILE A 487 9.982 -3.577 -8.215 1.00 0.00 H ATOM 1116 N ARG A 488 11.394 -3.683 -5.162 1.00 15.93 N ATOM 1117 CA ARG A 488 12.384 -3.717 -4.071 1.00 14.29 C ATOM 1118 C ARG A 488 12.987 -2.324 -3.816 1.00 15.72 C ATOM 1119 O ARG A 488 13.142 -1.885 -2.665 1.00 17.04 O ATOM 1120 CB ARG A 488 13.481 -4.769 -4.337 1.00 14.05 C ATOM 1121 CG ARG A 488 14.605 -4.831 -3.276 1.00 15.22 C ATOM 1122 CD ARG A 488 14.118 -4.946 -1.814 1.00 15.28 C ATOM 1123 NE ARG A 488 13.167 -6.043 -1.592 1.00 16.13 N ATOM 1124 CZ ARG A 488 13.502 -7.309 -1.374 1.00 14.96 C ATOM 1125 NH1 ARG A 488 14.791 -7.676 -1.372 1.00 16.02 N ATOM 1126 NH2 ARG A 488 12.541 -8.213 -1.155 1.00 17.17 N ATOM 1127 HE ARG A 488 12.153 -5.810 -1.607 1.00 0.00 H ATOM 1128 HH12 ARG A 488 15.049 -8.669 -1.201 1.00 0.00 H ATOM 1129 HH11 ARG A 488 15.534 -6.968 -1.542 1.00 0.00 H ATOM 1130 HH22 ARG A 488 12.792 -9.208 -0.983 1.00 0.00 H ATOM 1131 HH21 ARG A 488 11.543 -7.921 -1.157 1.00 0.00 H ATOM 1132 H ARG A 488 11.523 -4.276 -6.007 1.00 0.00 H ATOM 1133 N GLU A 489 13.335 -1.641 -4.903 1.00 15.50 N ATOM 1134 CA GLU A 489 13.901 -0.302 -4.830 1.00 17.39 C ATOM 1135 C GLU A 489 12.941 0.653 -4.106 1.00 17.83 C ATOM 1136 O GLU A 489 13.354 1.418 -3.234 1.00 17.11 O ATOM 1137 CB GLU A 489 14.215 0.166 -6.251 1.00 21.43 C ATOM 1138 CG GLU A 489 14.547 1.621 -6.433 1.00 29.40 C ATOM 1139 CD GLU A 489 14.358 2.038 -7.887 1.00 35.83 C ATOM 1140 OE1 GLU A 489 14.692 1.231 -8.795 1.00 41.88 O ATOM 1141 OE2 GLU A 489 13.852 3.153 -8.124 1.00 44.30 O ATOM 1142 H GLU A 489 13.198 -2.078 -5.837 1.00 0.00 H ATOM 1143 N ARG A 490 11.653 0.586 -4.462 1.00 17.54 N ATOM 1144 CA ARG A 490 10.656 1.457 -3.852 1.00 17.48 C ATOM 1145 C ARG A 490 10.398 1.080 -2.388 1.00 16.39 C ATOM 1146 O ARG A 490 10.253 1.961 -1.533 1.00 19.08 O ATOM 1147 CB ARG A 490 9.346 1.431 -4.659 1.00 17.68 C ATOM 1148 CG ARG A 490 9.470 1.985 -6.090 1.00 16.84 C ATOM 1149 CD ARG A 490 10.151 3.364 -6.134 1.00 22.72 C ATOM 1150 NE ARG A 490 9.505 4.313 -5.233 1.00 27.11 N ATOM 1151 CZ ARG A 490 10.141 5.261 -4.553 1.00 33.50 C ATOM 1152 NH1 ARG A 490 11.456 5.405 -4.661 1.00 32.23 N ATOM 1153 NH2 ARG A 490 9.456 6.066 -3.752 1.00 38.67 N ATOM 1154 HE ARG A 490 8.474 4.242 -5.115 1.00 0.00 H ATOM 1155 HH12 ARG A 490 11.943 6.151 -4.124 1.00 0.00 H ATOM 1156 HH11 ARG A 490 11.999 4.772 -5.283 1.00 0.00 H ATOM 1157 HH22 ARG A 490 9.948 6.810 -3.217 1.00 0.00 H ATOM 1158 HH21 ARG A 490 8.426 5.954 -3.659 1.00 0.00 H ATOM 1159 H ARG A 490 11.358 -0.099 -5.186 1.00 0.00 H ATOM 1160 N ASP A 491 10.349 -0.226 -2.116 1.00 16.05 N ATOM 1161 CA ASP A 491 10.169 -0.774 -0.749 1.00 16.01 C ATOM 1162 C ASP A 491 11.293 -0.300 0.177 1.00 17.12 C ATOM 1163 O ASP A 491 11.041 0.196 1.274 1.00 19.78 O ATOM 1164 CB ASP A 491 10.128 -2.301 -0.821 1.00 17.70 C ATOM 1165 CG ASP A 491 9.351 -2.957 0.328 1.00 16.93 C ATOM 1166 OD1 ASP A 491 8.914 -2.253 1.277 1.00 18.26 O ATOM 1167 OD2 ASP A 491 9.198 -4.210 0.282 1.00 16.35 O ATOM 1168 H ASP A 491 10.442 -0.896 -2.906 1.00 0.00 H ATOM 1169 N ARG A 492 12.531 -0.428 -0.284 1.00 17.73 N ATOM 1170 CA ARG A 492 13.661 0.126 0.453 1.00 17.33 C ATOM 1171 C ARG A 492 13.499 1.626 0.719 1.00 18.73 C ATOM 1172 O ARG A 492 13.799 2.109 1.817 1.00 21.53 O ATOM 1173 CB ARG A 492 14.981 -0.120 -0.298 1.00 17.24 C ATOM 1174 CG ARG A 492 15.441 -1.568 -0.321 1.00 16.98 C ATOM 1175 CD ARG A 492 16.018 -2.042 1.037 1.00 15.53 C ATOM 1176 NE ARG A 492 16.528 -3.407 0.908 1.00 17.38 N ATOM 1177 CZ ARG A 492 16.498 -4.345 1.855 1.00 15.93 C ATOM 1178 NH1 ARG A 492 15.979 -4.104 3.060 1.00 16.11 N ATOM 1179 NH2 ARG A 492 16.977 -5.555 1.576 1.00 17.87 N ATOM 1180 HE ARG A 492 16.952 -3.669 -0.005 1.00 0.00 H ATOM 1181 HH12 ARG A 492 15.968 -4.854 3.781 1.00 0.00 H ATOM 1182 HH11 ARG A 492 15.585 -3.167 3.279 1.00 0.00 H ATOM 1183 HH22 ARG A 492 16.962 -6.300 2.301 1.00 0.00 H ATOM 1184 HH21 ARG A 492 17.366 -5.755 0.633 1.00 0.00 H ATOM 1185 H ARG A 492 12.697 -0.929 -1.180 1.00 0.00 H ATOM 1186 N ALA A 493 13.026 2.363 -0.287 1.00 18.56 N ATOM 1187 CA ALA A 493 12.996 3.823 -0.207 1.00 21.90 C ATOM 1188 C ALA A 493 11.999 4.321 0.835 1.00 22.35 C ATOM 1189 O ALA A 493 12.219 5.362 1.463 1.00 25.09 O ATOM 1190 CB ALA A 493 12.705 4.425 -1.568 1.00 23.31 C ATOM 1191 H ALA A 493 12.672 1.891 -1.144 1.00 0.00 H ATOM 1192 N VAL A 494 10.915 3.568 1.026 1.00 20.88 N ATOM 1193 CA VAL A 494 9.853 3.971 1.959 1.00 22.88 C ATOM 1194 C VAL A 494 9.977 3.341 3.353 1.00 23.16 C ATOM 1195 O VAL A 494 9.104 3.533 4.203 1.00 28.12 O ATOM 1196 CB VAL A 494 8.444 3.724 1.354 1.00 23.25 C ATOM 1197 CG1 VAL A 494 8.321 4.447 0.007 1.00 23.38 C ATOM 1198 CG2 VAL A 494 8.155 2.231 1.188 1.00 22.33 C ATOM 1199 H VAL A 494 10.819 2.675 0.502 1.00 0.00 H ATOM 1200 N ASN A 495 11.051 2.586 3.582 1.00 20.47 N ATOM 1201 CA ASN A 495 11.312 1.974 4.897 1.00 19.47 C ATOM 1202 C ASN A 495 12.601 2.421 5.587 1.00 21.16 C ATOM 1203 O ASN A 495 13.549 2.898 4.941 1.00 18.38 O ATOM 1204 CB ASN A 495 11.346 0.455 4.772 1.00 19.50 C ATOM 1205 CG ASN A 495 9.971 -0.160 4.769 1.00 18.44 C ATOM 1206 OD1 ASN A 495 9.361 -0.323 5.820 1.00 23.18 O ATOM 1207 ND2 ASN A 495 9.485 -0.528 3.589 1.00 17.71 N ATOM 1208 HD22 ASN A 495 10.041 -0.368 2.725 1.00 0.00 H ATOM 1209 HD21 ASN A 495 8.548 -0.976 3.529 1.00 0.00 H ATOM 1210 H ASN A 495 11.726 2.424 2.808 1.00 0.00 H ATOM 1211 N ASP A 496 12.637 2.256 6.905 1.00 23.08 N ATOM 1212 CA ASP A 496 13.900 2.299 7.637 1.00 21.88 C ATOM 1213 C ASP A 496 14.616 0.967 7.455 1.00 19.85 C ATOM 1214 O ASP A 496 14.089 -0.085 7.808 1.00 20.35 O ATOM 1215 CB ASP A 496 13.658 2.571 9.128 1.00 21.79 C ATOM 1216 CG ASP A 496 12.924 3.880 9.363 1.00 23.63 C ATOM 1217 OD1 ASP A 496 13.350 4.910 8.796 1.00 25.62 O ATOM 1218 OD2 ASP A 496 11.921 3.881 10.108 1.00 27.40 O ATOM 1219 H ASP A 496 11.751 2.093 7.424 1.00 0.00 H ATOM 1220 N TYR A 497 15.818 1.018 6.903 1.00 18.15 N ATOM 1221 CA TYR A 497 16.606 -0.196 6.662 1.00 18.18 C ATOM 1222 C TYR A 497 16.765 -1.009 7.960 1.00 15.64 C ATOM 1223 O TYR A 497 17.037 -0.425 9.018 1.00 19.44 O ATOM 1224 CB TYR A 497 17.976 0.185 6.103 1.00 18.23 C ATOM 1225 CG TYR A 497 18.868 -0.992 5.793 1.00 17.90 C ATOM 1226 CD1 TYR A 497 19.783 -1.469 6.737 1.00 18.10 C ATOM 1227 CD2 TYR A 497 18.819 -1.626 4.545 1.00 16.98 C ATOM 1228 CE1 TYR A 497 20.620 -2.556 6.456 1.00 18.45 C ATOM 1229 CE2 TYR A 497 19.675 -2.716 4.247 1.00 18.71 C ATOM 1230 CZ TYR A 497 20.561 -3.175 5.222 1.00 18.98 C ATOM 1231 OH TYR A 497 21.409 -4.232 4.960 1.00 22.13 O ATOM 1232 HH TYR A 497 21.998 -4.000 4.199 1.00 0.00 H ATOM 1233 H TYR A 497 16.214 1.941 6.633 1.00 0.00 H ATOM 1234 N PRO A 498 16.620 -2.356 7.889 1.00 16.03 N ATOM 1235 CA PRO A 498 16.371 -3.183 6.707 1.00 16.94 C ATOM 1236 C PRO A 498 14.894 -3.606 6.546 1.00 16.48 C ATOM 1237 O PRO A 498 14.615 -4.579 5.854 1.00 16.51 O ATOM 1238 CB PRO A 498 17.246 -4.410 6.993 1.00 14.09 C ATOM 1239 CG PRO A 498 17.040 -4.601 8.463 1.00 16.53 C ATOM 1240 CD PRO A 498 17.001 -3.202 9.041 1.00 18.87 C ATOM 1241 N SER A 499 13.962 -2.890 7.177 1.00 16.77 N ATOM 1242 CA SER A 499 12.554 -3.286 7.122 1.00 16.55 C ATOM 1243 C SER A 499 11.997 -3.203 5.708 1.00 16.92 C ATOM 1244 O SER A 499 12.430 -2.348 4.918 1.00 16.41 O ATOM 1245 CB SER A 499 11.703 -2.419 8.067 1.00 16.78 C ATOM 1246 OG SER A 499 12.157 -2.528 9.401 1.00 19.26 O ATOM 1247 HG SER A 499 11.594 -1.962 9.987 1.00 0.00 H ATOM 1248 H SER A 499 14.238 -2.043 7.713 1.00 0.00 H ATOM 1249 N LEU A 500 11.044 -4.092 5.396 1.00 15.43 N ATOM 1250 CA LEU A 500 10.406 -4.121 4.078 1.00 14.60 C ATOM 1251 C LEU A 500 8.961 -4.557 4.190 1.00 14.90 C ATOM 1252 O LEU A 500 8.611 -5.409 5.028 1.00 16.62 O ATOM 1253 CB LEU A 500 11.134 -5.077 3.117 1.00 16.99 C ATOM 1254 CG LEU A 500 12.542 -4.740 2.608 1.00 15.39 C ATOM 1255 CD1 LEU A 500 13.111 -5.954 1.895 1.00 17.07 C ATOM 1256 CD2 LEU A 500 12.525 -3.525 1.674 1.00 17.37 C ATOM 1257 H LEU A 500 10.748 -4.784 6.113 1.00 0.00 H ATOM 1258 N TYR A 501 8.109 -3.989 3.340 1.00 15.30 N ATOM 1259 CA TYR A 501 6.752 -4.513 3.219 1.00 14.66 C ATOM 1260 C TYR A 501 6.716 -5.883 2.534 1.00 15.27 C ATOM 1261 O TYR A 501 5.877 -6.734 2.878 1.00 16.82 O ATOM 1262 CB TYR A 501 5.811 -3.520 2.523 1.00 15.54 C ATOM 1263 CG TYR A 501 5.604 -2.259 3.333 1.00 16.80 C ATOM 1264 CD1 TYR A 501 4.897 -2.290 4.527 1.00 20.63 C ATOM 1265 CD2 TYR A 501 6.137 -1.045 2.913 1.00 18.04 C ATOM 1266 CE1 TYR A 501 4.715 -1.150 5.278 1.00 24.14 C ATOM 1267 CE2 TYR A 501 5.957 0.110 3.653 1.00 22.71 C ATOM 1268 CZ TYR A 501 5.247 0.047 4.838 1.00 23.65 C ATOM 1269 OH TYR A 501 5.066 1.174 5.597 1.00 29.21 O ATOM 1270 HH TYR A 501 5.948 1.533 5.868 1.00 0.00 H ATOM 1271 H TYR A 501 8.408 -3.176 2.765 1.00 0.00 H ATOM 1272 N TYR A 502 7.616 -6.077 1.562 1.00 15.12 N ATOM 1273 CA TYR A 502 7.653 -7.296 0.760 1.00 13.73 C ATOM 1274 C TYR A 502 9.064 -7.889 0.740 1.00 14.26 C ATOM 1275 O TYR A 502 9.784 -7.791 -0.271 1.00 15.96 O ATOM 1276 CB TYR A 502 7.143 -7.015 -0.648 1.00 14.72 C ATOM 1277 CG TYR A 502 5.748 -6.403 -0.650 1.00 16.08 C ATOM 1278 CD1 TYR A 502 4.629 -7.160 -0.264 1.00 18.11 C ATOM 1279 CD2 TYR A 502 5.554 -5.057 -1.000 1.00 16.71 C ATOM 1280 CE1 TYR A 502 3.353 -6.606 -0.267 1.00 16.76 C ATOM 1281 CE2 TYR A 502 4.275 -4.489 -1.011 1.00 15.80 C ATOM 1282 CZ TYR A 502 3.170 -5.277 -0.644 1.00 17.08 C ATOM 1283 OH TYR A 502 1.892 -4.729 -0.643 1.00 18.38 O ATOM 1284 HH TYR A 502 1.669 -4.414 -1.555 1.00 0.00 H ATOM 1285 H TYR A 502 8.315 -5.331 1.371 1.00 0.00 H ATOM 1286 N PRO A 503 9.480 -8.476 1.875 1.00 15.12 N ATOM 1287 CA PRO A 503 10.861 -8.980 1.967 1.00 14.08 C ATOM 1288 C PRO A 503 11.051 -10.242 1.124 1.00 15.91 C ATOM 1289 O PRO A 503 12.179 -10.628 0.857 1.00 14.96 O ATOM 1290 CB PRO A 503 11.005 -9.318 3.460 1.00 15.48 C ATOM 1291 CG PRO A 503 9.572 -9.607 3.909 1.00 15.35 C ATOM 1292 CD PRO A 503 8.746 -8.625 3.148 1.00 15.23 C ATOM 1293 N GLU A 504 9.945 -10.882 0.723 1.00 15.24 N ATOM 1294 CA GLU A 504 10.022 -12.178 0.048 1.00 14.43 C ATOM 1295 C GLU A 504 9.328 -12.118 -1.299 1.00 14.90 C ATOM 1296 O GLU A 504 8.083 -12.078 -1.381 1.00 13.98 O ATOM 1297 CB GLU A 504 9.418 -13.277 0.933 1.00 15.48 C ATOM 1298 CG GLU A 504 9.632 -14.682 0.419 1.00 14.39 C ATOM 1299 CD GLU A 504 9.236 -15.762 1.410 1.00 15.14 C ATOM 1300 OE1 GLU A 504 8.710 -15.437 2.503 1.00 17.71 O ATOM 1301 OE2 GLU A 504 9.461 -16.947 1.093 1.00 16.43 O ATOM 1302 H GLU A 504 9.015 -10.450 0.894 1.00 0.00 H ATOM 1303 N MET A 505 10.125 -12.076 -2.357 1.00 14.34 N ATOM 1304 CA MET A 505 9.593 -11.963 -3.727 1.00 13.48 C ATOM 1305 C MET A 505 10.301 -12.957 -4.622 1.00 14.28 C ATOM 1306 O MET A 505 11.526 -13.191 -4.456 1.00 16.52 O ATOM 1307 CB MET A 505 9.794 -10.532 -4.265 1.00 13.16 C ATOM 1308 CG MET A 505 9.301 -9.448 -3.273 1.00 15.35 C ATOM 1309 SD MET A 505 9.217 -7.778 -3.936 1.00 17.40 S ATOM 1310 CE MET A 505 10.912 -7.526 -4.503 1.00 18.66 C ATOM 1311 H MET A 505 11.154 -12.124 -2.217 1.00 0.00 H ATOM 1312 N TYR A 506 9.534 -13.532 -5.558 1.00 13.95 N ATOM 1313 CA TYR A 506 10.033 -14.536 -6.488 1.00 13.53 C ATOM 1314 C TYR A 506 9.654 -14.199 -7.916 1.00 14.53 C ATOM 1315 O TYR A 506 8.670 -13.481 -8.167 1.00 14.95 O ATOM 1316 CB TYR A 506 9.439 -15.906 -6.190 1.00 13.83 C ATOM 1317 CG TYR A 506 9.702 -16.447 -4.810 1.00 14.16 C ATOM 1318 CD1 TYR A 506 10.858 -17.209 -4.540 1.00 16.07 C ATOM 1319 CD2 TYR A 506 8.800 -16.206 -3.772 1.00 14.45 C ATOM 1320 CE1 TYR A 506 11.097 -17.735 -3.263 1.00 15.55 C ATOM 1321 CE2 TYR A 506 9.015 -16.733 -2.493 1.00 14.33 C ATOM 1322 CZ TYR A 506 10.172 -17.486 -2.242 1.00 16.08 C ATOM 1323 OH TYR A 506 10.392 -18.007 -0.985 1.00 17.80 O ATOM 1324 HH TYR A 506 10.437 -17.269 -0.326 1.00 0.00 H ATOM 1325 H TYR A 506 8.536 -13.248 -5.624 1.00 0.00 H ATOM 1326 N ILE A 507 10.415 -14.773 -8.846 1.00 13.73 N ATOM 1327 CA ILE A 507 10.083 -14.766 -10.267 1.00 14.73 C ATOM 1328 C ILE A 507 9.587 -16.158 -10.653 1.00 14.08 C ATOM 1329 O ILE A 507 10.198 -17.166 -10.287 1.00 15.06 O ATOM 1330 CB ILE A 507 11.337 -14.453 -11.120 1.00 15.64 C ATOM 1331 CG1 ILE A 507 12.024 -13.158 -10.657 1.00 15.79 C ATOM 1332 CG2 ILE A 507 10.990 -14.437 -12.630 1.00 15.82 C ATOM 1333 CD1 ILE A 507 11.134 -11.910 -10.651 1.00 17.26 C ATOM 1334 H ILE A 507 11.289 -15.250 -8.545 1.00 0.00 H ATOM 1335 N LEU A 508 8.492 -16.226 -11.406 1.00 13.65 N ATOM 1336 CA LEU A 508 8.013 -17.506 -11.893 1.00 14.03 C ATOM 1337 C LEU A 508 8.835 -17.875 -13.119 1.00 14.71 C ATOM 1338 O LEU A 508 8.728 -17.216 -14.165 1.00 15.76 O ATOM 1339 CB LEU A 508 6.513 -17.427 -12.245 1.00 14.66 C ATOM 1340 CG LEU A 508 5.898 -18.668 -12.914 1.00 13.86 C ATOM 1341 CD1 LEU A 508 5.996 -19.915 -12.015 1.00 17.43 C ATOM 1342 CD2 LEU A 508 4.453 -18.404 -13.312 1.00 15.48 C ATOM 1343 H LEU A 508 7.976 -15.356 -11.647 1.00 0.00 H ATOM 1344 N LYS A 509 9.647 -18.919 -12.980 1.00 15.83 N ATOM 1345 CA LYS A 509 10.595 -19.353 -14.025 1.00 15.99 C ATOM 1346 C LYS A 509 9.840 -19.738 -15.291 1.00 16.35 C ATOM 1347 O LYS A 509 8.935 -20.591 -15.244 1.00 18.42 O ATOM 1348 CB LYS A 509 11.390 -20.569 -13.534 1.00 17.76 C ATOM 1349 CG LYS A 509 12.295 -21.222 -14.575 1.00 23.24 C ATOM 1350 CD LYS A 509 13.585 -20.493 -14.764 1.00 26.48 C ATOM 1351 CE LYS A 509 14.521 -21.353 -15.620 1.00 30.42 C ATOM 1352 NZ LYS A 509 15.782 -20.655 -15.946 1.00 35.45 N ATOM 1353 HZ1 LYS A 509 15.569 -19.785 -16.475 1.00 0.00 H ATOM 1354 HZ2 LYS A 509 16.281 -20.413 -15.066 1.00 0.00 H ATOM 1355 HZ3 LYS A 509 16.381 -21.277 -16.526 1.00 0.00 H ATOM 1356 H LYS A 509 9.612 -19.457 -12.090 1.00 0.00 H ATOM 1357 N GLY A 510 10.219 -19.118 -16.413 1.00 17.33 N ATOM 1358 CA GLY A 510 9.625 -19.435 -17.718 1.00 19.95 C ATOM 1359 C GLY A 510 8.331 -18.690 -18.014 1.00 19.04 C ATOM 1360 O GLY A 510 7.758 -18.810 -19.110 1.00 17.68 O ATOM 1361 H GLY A 510 10.958 -18.388 -16.360 1.00 0.00 H ATOM 1362 N GLY A 511 7.877 -17.914 -17.037 1.00 15.22 N ATOM 1363 CA GLY A 511 6.665 -17.090 -17.162 1.00 15.30 C ATOM 1364 C GLY A 511 5.387 -17.813 -17.576 1.00 13.89 C ATOM 1365 O GLY A 511 5.239 -19.018 -17.388 1.00 15.90 O ATOM 1366 H GLY A 511 8.403 -17.887 -16.140 1.00 0.00 H ATOM 1367 N TYR A 512 4.467 -17.067 -18.166 1.00 15.30 N ATOM 1368 CA TYR A 512 3.175 -17.638 -18.542 1.00 14.57 C ATOM 1369 C TYR A 512 3.318 -18.683 -19.653 1.00 15.53 C ATOM 1370 O TYR A 512 2.590 -19.679 -19.677 1.00 16.12 O ATOM 1371 CB TYR A 512 2.209 -16.535 -18.981 1.00 15.49 C ATOM 1372 CG TYR A 512 0.824 -17.069 -19.153 1.00 14.49 C ATOM 1373 CD1 TYR A 512 0.022 -17.329 -18.033 1.00 16.32 C ATOM 1374 CD2 TYR A 512 0.327 -17.380 -20.424 1.00 14.88 C ATOM 1375 CE1 TYR A 512 -1.250 -17.856 -18.167 1.00 17.21 C ATOM 1376 CE2 TYR A 512 -0.959 -17.910 -20.581 1.00 16.37 C ATOM 1377 CZ TYR A 512 -1.744 -18.133 -19.435 1.00 17.11 C ATOM 1378 OH TYR A 512 -3.008 -18.651 -19.545 1.00 18.39 O ATOM 1379 HH TYR A 512 -3.565 -18.046 -20.096 1.00 0.00 H ATOM 1380 H TYR A 512 4.665 -16.065 -18.364 1.00 0.00 H ATOM 1381 N LYS A 513 4.283 -18.467 -20.545 1.00 15.94 N ATOM 1382 CA LYS A 513 4.544 -19.383 -21.647 1.00 16.60 C ATOM 1383 C LYS A 513 4.826 -20.802 -21.159 1.00 16.87 C ATOM 1384 O LYS A 513 4.408 -21.767 -21.796 1.00 19.32 O ATOM 1385 CB LYS A 513 5.721 -18.879 -22.496 1.00 18.99 C ATOM 1386 CG LYS A 513 5.936 -19.686 -23.778 1.00 23.11 C ATOM 1387 CD LYS A 513 7.107 -20.613 -23.646 1.00 29.87 C ATOM 1388 CE LYS A 513 7.309 -21.409 -24.920 1.00 37.05 C ATOM 1389 NZ LYS A 513 8.482 -22.325 -24.813 1.00 43.73 N ATOM 1390 HZ1 LYS A 513 9.341 -21.767 -24.633 1.00 0.00 H ATOM 1391 HZ2 LYS A 513 8.330 -22.991 -24.029 1.00 0.00 H ATOM 1392 HZ3 LYS A 513 8.590 -22.853 -25.702 1.00 0.00 H ATOM 1393 H LYS A 513 4.871 -17.614 -20.451 1.00 0.00 H ATOM 1394 N GLU A 514 5.564 -20.936 -20.055 1.00 16.55 N ATOM 1395 CA GLU A 514 5.878 -22.267 -19.543 1.00 17.31 C ATOM 1396 C GLU A 514 4.825 -22.768 -18.564 1.00 16.06 C ATOM 1397 O GLU A 514 4.677 -23.980 -18.369 1.00 18.26 O ATOM 1398 CB GLU A 514 7.284 -22.321 -18.907 1.00 20.17 C ATOM 1399 CG GLU A 514 8.440 -22.122 -19.900 1.00 23.63 C ATOM 1400 CD GLU A 514 8.489 -23.166 -21.014 1.00 31.07 C ATOM 1401 OE1 GLU A 514 7.910 -24.271 -20.870 1.00 34.52 O ATOM 1402 OE2 GLU A 514 9.134 -22.884 -22.044 1.00 37.91 O ATOM 1403 H GLU A 514 5.916 -20.092 -19.559 1.00 0.00 H ATOM 1404 N PHE A 515 4.114 -21.833 -17.937 1.00 14.20 N ATOM 1405 CA PHE A 515 3.129 -22.207 -16.921 1.00 16.49 C ATOM 1406 C PHE A 515 1.873 -22.783 -17.549 1.00 15.93 C ATOM 1407 O PHE A 515 1.386 -23.829 -17.113 1.00 16.45 O ATOM 1408 CB PHE A 515 2.757 -21.033 -16.023 1.00 16.52 C ATOM 1409 CG PHE A 515 1.823 -21.408 -14.922 1.00 15.86 C ATOM 1410 CD1 PHE A 515 2.318 -21.935 -13.731 1.00 16.78 C ATOM 1411 CD2 PHE A 515 0.426 -21.255 -15.073 1.00 14.70 C ATOM 1412 CE1 PHE A 515 1.452 -22.311 -12.689 1.00 18.58 C ATOM 1413 CE2 PHE A 515 -0.462 -21.617 -14.014 1.00 14.89 C ATOM 1414 CZ PHE A 515 0.063 -22.146 -12.822 1.00 18.40 C ATOM 1415 H PHE A 515 4.260 -20.830 -18.171 1.00 0.00 H ATOM 1416 N PHE A 516 1.350 -22.097 -18.562 1.00 15.93 N ATOM 1417 CA PHE A 516 0.109 -22.517 -19.215 1.00 17.50 C ATOM 1418 C PHE A 516 0.078 -23.980 -19.736 1.00 17.49 C ATOM 1419 O PHE A 516 -0.878 -24.703 -19.465 1.00 18.75 O ATOM 1420 CB PHE A 516 -0.275 -21.521 -20.313 1.00 18.01 C ATOM 1421 CG PHE A 516 -1.431 -21.966 -21.141 1.00 19.04 C ATOM 1422 CD1 PHE A 516 -2.702 -22.090 -20.580 1.00 18.54 C ATOM 1423 CD2 PHE A 516 -1.253 -22.271 -22.485 1.00 18.08 C ATOM 1424 CE1 PHE A 516 -3.794 -22.514 -21.350 1.00 19.86 C ATOM 1425 CE2 PHE A 516 -2.327 -22.688 -23.266 1.00 22.41 C ATOM 1426 CZ PHE A 516 -3.609 -22.814 -22.695 1.00 21.81 C ATOM 1427 H PHE A 516 1.835 -21.241 -18.898 1.00 0.00 H ATOM 1428 N PRO A 517 1.119 -24.428 -20.473 1.00 18.49 N ATOM 1429 CA PRO A 517 1.073 -25.828 -20.945 1.00 19.90 C ATOM 1430 C PRO A 517 1.186 -26.876 -19.833 1.00 18.99 C ATOM 1431 O PRO A 517 0.762 -28.017 -20.029 1.00 22.07 O ATOM 1432 CB PRO A 517 2.275 -25.934 -21.893 1.00 22.49 C ATOM 1433 CG PRO A 517 3.151 -24.776 -21.560 1.00 21.86 C ATOM 1434 CD PRO A 517 2.211 -23.677 -21.115 1.00 20.31 C ATOM 1435 N GLN A 518 1.750 -26.490 -18.687 1.00 18.19 N ATOM 1436 CA GLN A 518 1.851 -27.390 -17.531 1.00 16.43 C ATOM 1437 C GLN A 518 0.538 -27.448 -16.733 1.00 16.93 C ATOM 1438 O GLN A 518 0.127 -28.530 -16.276 1.00 18.37 O ATOM 1439 CB GLN A 518 3.002 -26.951 -16.617 1.00 19.38 C ATOM 1440 CG GLN A 518 4.361 -27.278 -17.150 1.00 24.64 C ATOM 1441 CD GLN A 518 4.678 -28.763 -17.026 1.00 30.89 C ATOM 1442 OE1 GLN A 518 4.731 -29.321 -15.918 1.00 34.00 O ATOM 1443 NE2 GLN A 518 4.878 -29.410 -18.161 1.00 34.81 N ATOM 1444 HE22 GLN A 518 4.824 -28.901 -19.066 1.00 0.00 H ATOM 1445 HE21 GLN A 518 5.090 -30.428 -18.149 1.00 0.00 H ATOM 1446 H GLN A 518 2.129 -25.524 -18.610 1.00 0.00 H ATOM 1447 N HIS A 519 -0.116 -26.292 -16.564 1.00 16.48 N ATOM 1448 CA HIS A 519 -1.244 -26.180 -15.638 1.00 16.28 C ATOM 1449 C HIS A 519 -2.401 -25.356 -16.202 1.00 15.52 C ATOM 1450 O HIS A 519 -2.768 -24.322 -15.627 1.00 16.55 O ATOM 1451 CB HIS A 519 -0.774 -25.586 -14.307 1.00 16.35 C ATOM 1452 CG HIS A 519 0.240 -26.435 -13.611 1.00 17.51 C ATOM 1453 ND1 HIS A 519 -0.088 -27.615 -12.978 1.00 20.55 N ATOM 1454 CD2 HIS A 519 1.581 -26.298 -13.483 1.00 19.23 C ATOM 1455 CE1 HIS A 519 1.006 -28.160 -12.474 1.00 21.16 C ATOM 1456 NE2 HIS A 519 2.033 -27.387 -12.778 1.00 20.84 N ATOM 1457 H HIS A 519 0.184 -25.455 -17.103 1.00 0.00 H ATOM 1458 N PRO A 520 -2.989 -25.820 -17.321 1.00 15.04 N ATOM 1459 CA PRO A 520 -3.980 -25.026 -18.032 1.00 16.28 C ATOM 1460 C PRO A 520 -5.223 -24.743 -17.189 1.00 15.71 C ATOM 1461 O PRO A 520 -5.808 -23.674 -17.336 1.00 16.32 O ATOM 1462 CB PRO A 520 -4.308 -25.881 -19.263 1.00 16.94 C ATOM 1463 CG PRO A 520 -3.879 -27.294 -18.896 1.00 15.50 C ATOM 1464 CD PRO A 520 -2.671 -27.072 -18.038 1.00 16.13 C ATOM 1465 N ASN A 521 -5.588 -25.648 -16.278 1.00 17.55 N ATOM 1466 CA ASN A 521 -6.778 -25.404 -15.454 1.00 17.15 C ATOM 1467 C ASN A 521 -6.566 -24.396 -14.320 1.00 18.04 C ATOM 1468 O ASN A 521 -7.529 -24.016 -13.631 1.00 21.25 O ATOM 1469 CB ASN A 521 -7.385 -26.700 -14.916 1.00 16.68 C ATOM 1470 CG ASN A 521 -8.885 -26.623 -14.806 1.00 17.92 C ATOM 1471 OD1 ASN A 521 -9.534 -25.753 -15.424 1.00 19.65 O ATOM 1472 ND2 ASN A 521 -9.461 -27.530 -14.033 1.00 20.48 N ATOM 1473 HD22 ASN A 521 -8.880 -28.236 -13.537 1.00 0.00 H ATOM 1474 HD21 ASN A 521 -10.495 -27.537 -13.921 1.00 0.00 H ATOM 1475 H ASN A 521 -5.034 -26.519 -16.153 1.00 0.00 H ATOM 1476 N PHE A 522 -5.318 -23.955 -14.146 1.00 16.45 N ATOM 1477 CA PHE A 522 -4.990 -22.864 -13.231 1.00 16.89 C ATOM 1478 C PHE A 522 -4.985 -21.515 -13.942 1.00 16.58 C ATOM 1479 O PHE A 522 -4.598 -20.501 -13.358 1.00 19.75 O ATOM 1480 CB PHE A 522 -3.663 -23.155 -12.498 1.00 17.66 C ATOM 1481 CG PHE A 522 -3.820 -24.199 -11.419 1.00 17.99 C ATOM 1482 CD1 PHE A 522 -3.817 -25.559 -11.739 1.00 16.88 C ATOM 1483 CD2 PHE A 522 -4.035 -23.815 -10.089 1.00 17.87 C ATOM 1484 CE1 PHE A 522 -4.004 -26.521 -10.751 1.00 13.16 C ATOM 1485 CE2 PHE A 522 -4.214 -24.773 -9.080 1.00 15.33 C ATOM 1486 CZ PHE A 522 -4.211 -26.130 -9.405 1.00 15.37 C ATOM 1487 H PHE A 522 -4.549 -24.405 -14.683 1.00 0.00 H ATOM 1488 N CYS A 523 -5.464 -21.509 -15.190 1.00 16.46 N ATOM 1489 CA CYS A 523 -5.461 -20.309 -16.000 1.00 18.01 C ATOM 1490 C CYS A 523 -6.854 -19.956 -16.471 1.00 19.51 C ATOM 1491 O CYS A 523 -7.714 -20.839 -16.627 1.00 20.41 O ATOM 1492 CB CYS A 523 -4.558 -20.481 -17.222 1.00 18.36 C ATOM 1493 SG CYS A 523 -2.828 -20.899 -16.859 1.00 18.88 S ATOM 1494 H CYS A 523 -5.849 -22.389 -15.589 1.00 0.00 H ATOM 1495 N GLU A 524 -7.064 -18.662 -16.710 1.00 17.47 N ATOM 1496 CA GLU A 524 -8.315 -18.172 -17.293 1.00 21.77 C ATOM 1497 C GLU A 524 -8.128 -16.893 -18.097 1.00 21.89 C ATOM 1498 O GLU A 524 -7.407 -15.986 -17.671 1.00 24.33 O ATOM 1499 CB GLU A 524 -9.413 -18.008 -16.243 1.00 27.76 C ATOM 1500 CG GLU A 524 -9.131 -17.014 -15.165 1.00 34.48 C ATOM 1501 CD GLU A 524 -10.292 -16.868 -14.200 1.00 43.54 C ATOM 1502 OE1 GLU A 524 -11.392 -17.411 -14.471 1.00 55.22 O ATOM 1503 OE2 GLU A 524 -10.103 -16.196 -13.165 1.00 48.23 O ATOM 1504 H GLU A 524 -6.316 -17.979 -16.475 1.00 0.00 H ATOM 1505 N PRO A 525 -8.704 -16.852 -19.315 1.00 25.08 N ATOM 1506 CA PRO A 525 -9.251 -18.020 -20.010 1.00 22.92 C ATOM 1507 C PRO A 525 -8.145 -19.062 -20.240 1.00 21.68 C ATOM 1508 O PRO A 525 -6.958 -18.747 -20.059 1.00 23.09 O ATOM 1509 CB PRO A 525 -9.730 -17.441 -21.347 1.00 25.27 C ATOM 1510 CG PRO A 525 -8.974 -16.165 -21.508 1.00 27.39 C ATOM 1511 CD PRO A 525 -8.810 -15.627 -20.124 1.00 24.17 C ATOM 1512 N GLN A 526 -8.511 -20.288 -20.611 1.00 24.17 N ATOM 1513 CA GLN A 526 -7.495 -21.319 -20.882 1.00 23.60 C ATOM 1514 C GLN A 526 -6.887 -21.108 -22.253 1.00 23.24 C ATOM 1515 O GLN A 526 -7.138 -21.883 -23.186 1.00 26.15 O ATOM 1516 CB GLN A 526 -8.067 -22.737 -20.816 1.00 28.88 C ATOM 1517 CG GLN A 526 -8.238 -23.283 -19.454 1.00 31.56 C ATOM 1518 CD GLN A 526 -8.455 -24.785 -19.426 1.00 26.84 C ATOM 1519 OE1 GLN A 526 -8.262 -25.499 -20.419 1.00 32.16 O ATOM 1520 NE2 GLN A 526 -8.851 -25.274 -18.276 1.00 26.08 N ATOM 1521 HE22 GLN A 526 -9.002 -24.640 -17.466 1.00 0.00 H ATOM 1522 HE21 GLN A 526 -9.014 -26.296 -18.174 1.00 0.00 H ATOM 1523 H GLN A 526 -9.520 -20.518 -20.710 1.00 0.00 H ATOM 1524 N ASP A 527 -6.087 -20.062 -22.377 1.00 20.86 N ATOM 1525 CA ASP A 527 -5.416 -19.771 -23.644 1.00 21.50 C ATOM 1526 C ASP A 527 -4.149 -18.989 -23.339 1.00 20.98 C ATOM 1527 O ASP A 527 -3.844 -18.716 -22.169 1.00 19.64 O ATOM 1528 CB ASP A 527 -6.332 -18.980 -24.583 1.00 23.19 C ATOM 1529 CG ASP A 527 -6.105 -19.324 -26.066 1.00 26.51 C ATOM 1530 OD1 ASP A 527 -4.994 -19.773 -26.435 1.00 28.50 O ATOM 1531 OD2 ASP A 527 -7.048 -19.143 -26.870 1.00 37.38 O ATOM 1532 H ASP A 527 -5.933 -19.436 -21.561 1.00 0.00 H ATOM 1533 N TYR A 528 -3.408 -18.649 -24.396 1.00 20.32 N ATOM 1534 CA TYR A 528 -2.139 -17.946 -24.275 1.00 19.26 C ATOM 1535 C TYR A 528 -1.978 -17.024 -25.472 1.00 19.11 C ATOM 1536 O TYR A 528 -1.980 -17.472 -26.631 1.00 23.82 O ATOM 1537 CB TYR A 528 -0.992 -18.970 -24.165 1.00 20.47 C ATOM 1538 CG TYR A 528 0.413 -18.463 -24.434 1.00 21.33 C ATOM 1539 CD1 TYR A 528 0.845 -17.204 -23.988 1.00 19.31 C ATOM 1540 CD2 TYR A 528 1.336 -19.283 -25.099 1.00 21.85 C ATOM 1541 CE1 TYR A 528 2.152 -16.763 -24.243 1.00 18.00 C ATOM 1542 CE2 TYR A 528 2.633 -18.858 -25.360 1.00 20.77 C ATOM 1543 CZ TYR A 528 3.033 -17.610 -24.931 1.00 20.34 C ATOM 1544 OH TYR A 528 4.312 -17.226 -25.194 1.00 20.57 O ATOM 1545 HH TYR A 528 4.460 -17.223 -26.173 1.00 0.00 H ATOM 1546 H TYR A 528 -3.752 -18.897 -25.346 1.00 0.00 H ATOM 1547 N ARG A 529 -1.876 -15.731 -25.178 1.00 22.10 N ATOM 1548 CA ARG A 529 -1.705 -14.690 -26.195 1.00 20.86 C ATOM 1549 C ARG A 529 -0.329 -14.046 -26.019 1.00 20.74 C ATOM 1550 O ARG A 529 -0.102 -13.293 -25.070 1.00 20.25 O ATOM 1551 CB ARG A 529 -2.796 -13.633 -26.077 1.00 19.99 C ATOM 1552 CG ARG A 529 -2.747 -12.551 -27.152 1.00 21.24 C ATOM 1553 CD ARG A 529 -3.900 -11.609 -26.957 1.00 20.77 C ATOM 1554 NE ARG A 529 -5.172 -12.233 -27.314 1.00 21.77 N ATOM 1555 CZ ARG A 529 -6.360 -11.822 -26.873 1.00 26.04 C ATOM 1556 NH1 ARG A 529 -6.444 -10.813 -26.012 1.00 24.02 N ATOM 1557 NH2 ARG A 529 -7.472 -12.422 -27.284 1.00 26.42 N ATOM 1558 HE ARG A 529 -5.148 -13.052 -27.955 1.00 0.00 H ATOM 1559 HH12 ARG A 529 -7.374 -10.496 -25.671 1.00 0.00 H ATOM 1560 HH11 ARG A 529 -5.580 -10.340 -25.679 1.00 0.00 H ATOM 1561 HH22 ARG A 529 -8.397 -12.097 -26.937 1.00 0.00 H ATOM 1562 HH21 ARG A 529 -7.417 -13.216 -27.953 1.00 0.00 H ATOM 1563 H ARG A 529 -1.920 -15.445 -24.179 1.00 0.00 H ATOM 1564 N PRO A 530 0.608 -14.386 -26.919 1.00 18.32 N ATOM 1565 CA PRO A 530 1.947 -13.820 -26.844 1.00 23.88 C ATOM 1566 C PRO A 530 1.953 -12.315 -27.069 1.00 31.26 C ATOM 1567 O PRO A 530 1.070 -11.776 -27.736 1.00 25.33 O ATOM 1568 CB PRO A 530 2.673 -14.514 -27.997 1.00 26.68 C ATOM 1569 CG PRO A 530 1.914 -15.810 -28.176 1.00 30.86 C ATOM 1570 CD PRO A 530 0.496 -15.354 -28.010 1.00 28.28 C ATOM 1571 N MET A 531 2.962 -11.647 -26.509 1.00 17.22 N ATOM 1572 CA MET A 531 3.142 -10.209 -26.684 1.00 17.49 C ATOM 1573 C MET A 531 3.194 -9.857 -28.162 1.00 18.89 C ATOM 1574 O MET A 531 2.592 -8.858 -28.603 1.00 22.05 O ATOM 1575 CB MET A 531 4.432 -9.734 -26.007 1.00 17.39 C ATOM 1576 CG MET A 531 4.605 -8.226 -26.031 1.00 19.81 C ATOM 1577 SD MET A 531 6.146 -7.641 -25.327 1.00 22.29 S ATOM 1578 CE MET A 531 7.290 -8.108 -26.607 1.00 23.18 C ATOM 1579 H MET A 531 3.646 -12.170 -25.926 1.00 0.00 H ATOM 1580 N ASN A 532 3.892 -10.692 -28.929 1.00 20.48 N ATOM 1581 CA ASN A 532 4.098 -10.409 -30.345 1.00 21.36 C ATOM 1582 C ASN A 532 3.053 -11.048 -31.271 1.00 20.62 C ATOM 1583 O ASN A 532 3.293 -11.197 -32.464 1.00 22.44 O ATOM 1584 CB ASN A 532 5.539 -10.747 -30.753 1.00 25.41 C ATOM 1585 CG ASN A 532 6.561 -9.710 -30.229 1.00 35.36 C ATOM 1586 OD1 ASN A 532 6.326 -8.489 -30.273 1.00 35.72 O ATOM 1587 ND2 ASN A 532 7.694 -10.200 -29.732 1.00 41.69 N ATOM 1588 HD22 ASN A 532 7.852 -11.228 -29.713 1.00 0.00 H ATOM 1589 HD21 ASN A 532 8.421 -9.555 -29.362 1.00 0.00 H ATOM 1590 H ASN A 532 4.295 -11.556 -28.514 1.00 0.00 H ATOM 1591 N HIS A 533 1.888 -11.400 -30.717 1.00 20.11 N ATOM 1592 CA HIS A 533 0.770 -11.923 -31.510 1.00 21.32 C ATOM 1593 C HIS A 533 0.493 -10.995 -32.698 1.00 21.88 C ATOM 1594 O HIS A 533 0.385 -9.771 -32.534 1.00 24.56 O ATOM 1595 CB HIS A 533 -0.483 -12.080 -30.635 1.00 22.90 C ATOM 1596 CG HIS A 533 -1.587 -12.864 -31.277 1.00 24.25 C ATOM 1597 ND1 HIS A 533 -2.312 -12.392 -32.351 1.00 25.75 N ATOM 1598 CD2 HIS A 533 -2.107 -14.078 -30.979 1.00 27.06 C ATOM 1599 CE1 HIS A 533 -3.224 -13.283 -32.693 1.00 26.26 C ATOM 1600 NE2 HIS A 533 -3.117 -14.320 -31.883 1.00 28.18 N ATOM 1601 H HIS A 533 1.770 -11.300 -29.689 1.00 0.00 H ATOM 1602 N GLU A 534 0.381 -11.583 -33.887 1.00 25.17 N ATOM 1603 CA GLU A 534 0.273 -10.801 -35.125 1.00 25.40 C ATOM 1604 C GLU A 534 -0.962 -9.885 -35.191 1.00 28.50 C ATOM 1605 O GLU A 534 -0.961 -8.888 -35.905 1.00 31.02 O ATOM 1606 CB GLU A 534 0.339 -11.720 -36.355 1.00 32.76 C ATOM 1607 CG GLU A 534 -0.800 -12.747 -36.460 1.00 42.48 C ATOM 1608 CD GLU A 534 -2.043 -12.246 -37.210 1.00 53.45 C ATOM 1609 OE1 GLU A 534 -2.032 -11.114 -37.751 1.00 56.53 O ATOM 1610 OE2 GLU A 534 -3.040 -13.001 -37.263 1.00 68.13 O ATOM 1611 H GLU A 534 0.370 -12.622 -33.940 1.00 0.00 H ATOM 1612 N ALA A 535 -2.012 -10.235 -34.454 1.00 23.17 N ATOM 1613 CA ALA A 535 -3.243 -9.457 -34.475 1.00 26.63 C ATOM 1614 C ALA A 535 -3.270 -8.330 -33.439 1.00 24.36 C ATOM 1615 O ALA A 535 -4.256 -7.582 -33.363 1.00 26.58 O ATOM 1616 CB ALA A 535 -4.457 -10.380 -34.312 1.00 28.35 C ATOM 1617 H ALA A 535 -1.953 -11.080 -33.851 1.00 0.00 H ATOM 1618 N PHE A 536 -2.184 -8.201 -32.662 1.00 22.32 N ATOM 1619 CA PHE A 536 -2.119 -7.232 -31.549 1.00 19.92 C ATOM 1620 C PHE A 536 -1.001 -6.191 -31.656 1.00 18.63 C ATOM 1621 O PHE A 536 -0.637 -5.539 -30.667 1.00 21.25 O ATOM 1622 CB PHE A 536 -2.121 -7.958 -30.194 1.00 21.68 C ATOM 1623 CG PHE A 536 -3.419 -8.629 -29.906 1.00 22.36 C ATOM 1624 CD1 PHE A 536 -3.708 -9.876 -30.463 1.00 23.94 C ATOM 1625 CD2 PHE A 536 -4.399 -7.987 -29.141 1.00 22.21 C ATOM 1626 CE1 PHE A 536 -4.950 -10.480 -30.245 1.00 23.00 C ATOM 1627 CE2 PHE A 536 -5.630 -8.590 -28.910 1.00 23.09 C ATOM 1628 CZ PHE A 536 -5.902 -9.834 -29.460 1.00 24.10 C ATOM 1629 H PHE A 536 -1.358 -8.805 -32.850 1.00 0.00 H ATOM 1630 N LYS A 537 -0.494 -5.992 -32.872 1.00 20.32 N ATOM 1631 CA LYS A 537 0.613 -5.054 -33.082 1.00 21.53 C ATOM 1632 C LYS A 537 0.242 -3.629 -32.670 1.00 21.51 C ATOM 1633 O LYS A 537 1.059 -2.939 -32.064 1.00 21.43 O ATOM 1634 CB LYS A 537 1.077 -5.066 -34.537 1.00 24.68 C ATOM 1635 CG LYS A 537 1.602 -6.409 -35.035 1.00 26.24 C ATOM 1636 CD LYS A 537 1.904 -6.328 -36.536 1.00 30.14 C ATOM 1637 CE LYS A 537 2.159 -7.703 -37.128 1.00 38.37 C ATOM 1638 NZ LYS A 537 2.721 -7.616 -38.505 1.00 47.90 N ATOM 1639 HZ1 LYS A 537 2.050 -7.114 -39.121 1.00 0.00 H ATOM 1640 HZ2 LYS A 537 3.623 -7.099 -38.478 1.00 0.00 H ATOM 1641 HZ3 LYS A 537 2.881 -8.575 -38.874 1.00 0.00 H ATOM 1642 H LYS A 537 -0.889 -6.509 -33.683 1.00 0.00 H ATOM 1643 N ASP A 538 -0.982 -3.198 -32.993 1.00 21.61 N ATOM 1644 CA ASP A 538 -1.464 -1.874 -32.590 1.00 23.93 C ATOM 1645 C ASP A 538 -1.572 -1.747 -31.074 1.00 22.30 C ATOM 1646 O ASP A 538 -1.197 -0.714 -30.513 1.00 21.84 O ATOM 1647 CB ASP A 538 -2.839 -1.557 -33.205 1.00 25.11 C ATOM 1648 CG ASP A 538 -2.803 -1.399 -34.715 1.00 35.96 C ATOM 1649 OD1 ASP A 538 -1.711 -1.229 -35.294 1.00 42.83 O ATOM 1650 OD2 ASP A 538 -3.893 -1.429 -35.325 1.00 48.32 O ATOM 1651 H ASP A 538 -1.608 -3.819 -33.545 1.00 0.00 H ATOM 1652 N GLU A 539 -2.100 -2.791 -30.422 1.00 19.27 N ATOM 1653 CA GLU A 539 -2.263 -2.806 -28.965 1.00 20.46 C ATOM 1654 C GLU A 539 -0.913 -2.710 -28.246 1.00 18.31 C ATOM 1655 O GLU A 539 -0.807 -2.050 -27.207 1.00 18.83 O ATOM 1656 CB GLU A 539 -3.036 -4.052 -28.528 1.00 20.75 C ATOM 1657 CG GLU A 539 -4.550 -3.993 -28.828 1.00 24.43 C ATOM 1658 CD GLU A 539 -4.934 -4.501 -30.220 1.00 25.03 C ATOM 1659 OE1 GLU A 539 -4.056 -4.669 -31.101 1.00 25.67 O ATOM 1660 OE2 GLU A 539 -6.142 -4.735 -30.443 1.00 31.71 O ATOM 1661 H GLU A 539 -2.405 -3.621 -30.969 1.00 0.00 H ATOM 1662 N LEU A 540 0.115 -3.342 -28.820 1.00 19.33 N ATOM 1663 CA LEU A 540 1.479 -3.285 -28.270 1.00 18.36 C ATOM 1664 C LEU A 540 1.968 -1.837 -28.284 1.00 16.35 C ATOM 1665 O LEU A 540 2.427 -1.316 -27.256 1.00 17.43 O ATOM 1666 CB LEU A 540 2.440 -4.209 -29.056 1.00 18.58 C ATOM 1667 CG LEU A 540 3.914 -4.263 -28.631 1.00 19.97 C ATOM 1668 CD1 LEU A 540 4.556 -5.578 -29.066 1.00 21.45 C ATOM 1669 CD2 LEU A 540 4.672 -3.109 -29.228 1.00 20.99 C ATOM 1670 H LEU A 540 -0.055 -3.893 -29.685 1.00 0.00 H ATOM 1671 N LYS A 541 1.850 -1.189 -29.445 1.00 18.20 N ATOM 1672 CA LYS A 541 2.279 0.208 -29.608 1.00 18.64 C ATOM 1673 C LYS A 541 1.515 1.161 -28.697 1.00 18.93 C ATOM 1674 O LYS A 541 2.112 2.010 -28.043 1.00 20.00 O ATOM 1675 CB LYS A 541 2.148 0.649 -31.072 1.00 20.07 C ATOM 1676 CG LYS A 541 3.056 -0.114 -32.015 1.00 22.10 C ATOM 1677 CD LYS A 541 2.854 0.325 -33.445 1.00 25.32 C ATOM 1678 CE LYS A 541 3.797 -0.404 -34.333 1.00 28.64 C ATOM 1679 NZ LYS A 541 3.389 -0.236 -35.755 1.00 41.18 N ATOM 1680 HZ1 LYS A 541 2.430 -0.617 -35.887 1.00 0.00 H ATOM 1681 HZ2 LYS A 541 3.399 0.775 -36.000 1.00 0.00 H ATOM 1682 HZ3 LYS A 541 4.054 -0.749 -36.368 1.00 0.00 H ATOM 1683 H LYS A 541 1.441 -1.688 -30.261 1.00 0.00 H ATOM 1684 N THR A 542 0.193 1.009 -28.654 1.00 18.88 N ATOM 1685 CA THR A 542 -0.659 1.809 -27.765 1.00 20.52 C ATOM 1686 C THR A 542 -0.185 1.723 -26.312 1.00 19.57 C ATOM 1687 O THR A 542 -0.076 2.743 -25.620 1.00 21.57 O ATOM 1688 CB THR A 542 -2.122 1.352 -27.882 1.00 21.07 C ATOM 1689 OG1 THR A 542 -2.561 1.598 -29.219 1.00 24.54 O ATOM 1690 CG2 THR A 542 -3.034 2.091 -26.897 1.00 23.61 C ATOM 1691 HG1 THR A 542 -3.503 1.309 -29.314 1.00 0.00 H ATOM 1692 H THR A 542 -0.251 0.300 -29.271 1.00 0.00 H ATOM 1693 N PHE A 543 0.094 0.505 -25.855 1.00 16.46 N ATOM 1694 CA PHE A 543 0.551 0.332 -24.494 1.00 17.83 C ATOM 1695 C PHE A 543 1.910 0.984 -24.269 1.00 17.14 C ATOM 1696 O PHE A 543 2.092 1.710 -23.294 1.00 19.34 O ATOM 1697 CB PHE A 543 0.611 -1.125 -24.060 1.00 18.27 C ATOM 1698 CG PHE A 543 1.081 -1.264 -22.647 1.00 23.77 C ATOM 1699 CD1 PHE A 543 0.176 -1.182 -21.595 1.00 26.78 C ATOM 1700 CD2 PHE A 543 2.440 -1.376 -22.362 1.00 24.65 C ATOM 1701 CE1 PHE A 543 0.611 -1.254 -20.274 1.00 27.40 C ATOM 1702 CE2 PHE A 543 2.885 -1.439 -21.045 1.00 26.19 C ATOM 1703 CZ PHE A 543 1.967 -1.392 -20.001 1.00 26.20 C ATOM 1704 H PHE A 543 -0.016 -0.322 -26.476 1.00 0.00 H ATOM 1705 N ARG A 544 2.862 0.716 -25.164 1.00 18.97 N ATOM 1706 CA ARG A 544 4.217 1.274 -25.045 1.00 18.49 C ATOM 1707 C ARG A 544 4.202 2.783 -24.865 1.00 19.01 C ATOM 1708 O ARG A 544 5.007 3.316 -24.099 1.00 20.93 O ATOM 1709 CB ARG A 544 5.094 0.889 -26.249 1.00 19.27 C ATOM 1710 CG ARG A 544 5.440 -0.583 -26.307 1.00 22.86 C ATOM 1711 CD ARG A 544 6.684 -0.934 -25.502 1.00 22.66 C ATOM 1712 NE ARG A 544 6.903 -2.380 -25.511 1.00 23.28 N ATOM 1713 CZ ARG A 544 7.558 -3.061 -26.452 1.00 20.47 C ATOM 1714 NH1 ARG A 544 8.108 -2.447 -27.514 1.00 19.63 N ATOM 1715 NH2 ARG A 544 7.656 -4.379 -26.332 1.00 23.28 N ATOM 1716 HE ARG A 544 6.514 -2.924 -24.715 1.00 0.00 H ATOM 1717 HH12 ARG A 544 8.613 -3.004 -28.233 1.00 0.00 H ATOM 1718 HH11 ARG A 544 8.028 -1.415 -27.617 1.00 0.00 H ATOM 1719 HH22 ARG A 544 8.162 -4.931 -27.054 1.00 0.00 H ATOM 1720 HH21 ARG A 544 7.227 -4.860 -25.516 1.00 0.00 H ATOM 1721 H ARG A 544 2.640 0.095 -25.968 1.00 0.00 H ATOM 1722 N LEU A 545 3.280 3.466 -25.550 1.00 18.10 N ATOM 1723 CA LEU A 545 3.186 4.926 -25.464 1.00 17.58 C ATOM 1724 C LEU A 545 2.674 5.461 -24.127 1.00 16.32 C ATOM 1725 O LEU A 545 2.651 6.671 -23.932 1.00 18.85 O ATOM 1726 CB LEU A 545 2.387 5.514 -26.645 1.00 17.36 C ATOM 1727 CG LEU A 545 3.012 5.200 -28.019 1.00 18.11 C ATOM 1728 CD1 LEU A 545 2.188 5.826 -29.138 1.00 19.97 C ATOM 1729 CD2 LEU A 545 4.493 5.656 -28.113 1.00 18.77 C ATOM 1730 H LEU A 545 2.613 2.949 -26.158 1.00 0.00 H ATOM 1731 N LYS A 546 2.287 4.551 -23.223 1.00 16.15 N ATOM 1732 CA LYS A 546 1.851 4.898 -21.866 1.00 17.38 C ATOM 1733 C LYS A 546 2.984 4.711 -20.849 1.00 18.27 C ATOM 1734 O LYS A 546 2.833 5.050 -19.675 1.00 18.53 O ATOM 1735 CB LYS A 546 0.620 4.067 -21.447 1.00 18.76 C ATOM 1736 CG LYS A 546 -0.658 4.288 -22.278 1.00 18.95 C ATOM 1737 CD LYS A 546 -1.832 3.521 -21.655 1.00 24.15 C ATOM 1738 CE LYS A 546 -3.050 3.633 -22.530 1.00 35.17 C ATOM 1739 NZ LYS A 546 -4.179 2.800 -22.024 1.00 47.53 N ATOM 1740 HZ1 LYS A 546 -3.887 1.802 -21.998 1.00 0.00 H ATOM 1741 HZ2 LYS A 546 -4.436 3.112 -21.066 1.00 0.00 H ATOM 1742 HZ3 LYS A 546 -4.998 2.907 -22.656 1.00 0.00 H ATOM 1743 H LYS A 546 2.296 3.548 -23.497 1.00 0.00 H ATOM 1744 N THR A 547 4.123 4.181 -21.299 1.00 18.55 N ATOM 1745 CA THR A 547 5.237 3.891 -20.387 1.00 20.61 C ATOM 1746 C THR A 547 6.040 5.162 -20.059 1.00 21.34 C ATOM 1747 O THR A 547 6.031 6.117 -20.849 1.00 21.68 O ATOM 1748 CB THR A 547 6.162 2.750 -20.915 1.00 18.32 C ATOM 1749 OG1 THR A 547 6.790 3.139 -22.139 1.00 20.47 O ATOM 1750 CG2 THR A 547 5.385 1.428 -21.113 1.00 20.17 C ATOM 1751 HG1 THR A 547 6.096 3.331 -22.818 1.00 0.00 H ATOM 1752 H THR A 547 4.223 3.970 -22.312 1.00 0.00 H ATOM 1753 N ARG A 548 6.723 5.181 -18.905 1.00 20.77 N ATOM 1754 CA ARG A 548 7.421 6.391 -18.442 1.00 20.00 C ATOM 1755 C ARG A 548 8.745 6.606 -19.157 1.00 20.59 C ATOM 1756 O ARG A 548 9.238 7.732 -19.225 1.00 21.70 O ATOM 1757 CB ARG A 548 7.678 6.374 -16.923 1.00 20.82 C ATOM 1758 CG ARG A 548 6.454 6.667 -16.054 1.00 20.53 C ATOM 1759 CD ARG A 548 6.816 6.783 -14.562 1.00 23.89 C ATOM 1760 NE ARG A 548 7.577 5.633 -14.064 1.00 22.80 N ATOM 1761 CZ ARG A 548 7.739 5.332 -12.776 1.00 24.66 C ATOM 1762 NH1 ARG A 548 7.196 6.089 -11.834 1.00 26.03 N ATOM 1763 NH2 ARG A 548 8.453 4.271 -12.424 1.00 24.65 N ATOM 1764 HE ARG A 548 8.022 5.008 -14.766 1.00 0.00 H ATOM 1765 HH12 ARG A 548 7.328 5.846 -10.831 1.00 0.00 H ATOM 1766 HH11 ARG A 548 6.638 6.926 -12.097 1.00 0.00 H ATOM 1767 HH22 ARG A 548 8.578 4.039 -11.418 1.00 0.00 H ATOM 1768 HH21 ARG A 548 8.888 3.672 -13.154 1.00 0.00 H ATOM 1769 H ARG A 548 6.760 4.320 -18.323 1.00 0.00 H ATOM 1770 N SER A 549 9.320 5.522 -19.673 1.00 22.11 N ATOM 1771 CA SER A 549 10.684 5.550 -20.219 1.00 19.92 C ATOM 1772 C SER A 549 10.857 4.493 -21.301 1.00 21.56 C ATOM 1773 O SER A 549 10.244 3.425 -21.238 1.00 23.84 O ATOM 1774 CB SER A 549 11.676 5.268 -19.080 1.00 25.53 C ATOM 1775 OG SER A 549 13.008 5.439 -19.511 1.00 39.50 O ATOM 1776 HG SER A 549 13.624 5.251 -18.759 1.00 0.00 H ATOM 1777 H SER A 549 8.788 4.629 -19.690 1.00 0.00 H ATOM 1778 N TRP A 550 11.670 4.805 -22.305 1.00 20.69 N ATOM 1779 CA TRP A 550 12.163 3.797 -23.253 1.00 22.09 C ATOM 1780 C TRP A 550 13.581 4.167 -23.713 1.00 23.35 C ATOM 1781 O TRP A 550 14.004 5.312 -23.553 1.00 24.41 O ATOM 1782 CB TRP A 550 11.217 3.611 -24.456 1.00 21.88 C ATOM 1783 CG TRP A 550 10.784 4.883 -25.127 1.00 20.47 C ATOM 1784 CD1 TRP A 550 11.503 5.637 -26.027 1.00 21.39 C ATOM 1785 CD2 TRP A 550 9.512 5.544 -24.974 1.00 20.77 C ATOM 1786 NE1 TRP A 550 10.754 6.728 -26.430 1.00 21.13 N ATOM 1787 CE2 TRP A 550 9.535 6.694 -25.798 1.00 18.85 C ATOM 1788 CE3 TRP A 550 8.358 5.274 -24.218 1.00 21.01 C ATOM 1789 CZ2 TRP A 550 8.450 7.578 -25.884 1.00 19.17 C ATOM 1790 CZ3 TRP A 550 7.273 6.156 -24.303 1.00 19.49 C ATOM 1791 CH2 TRP A 550 7.327 7.287 -25.138 1.00 19.86 C ATOM 1792 HE1 TRP A 550 11.064 7.457 -27.104 1.00 0.00 H ATOM 1793 H TRP A 550 11.967 5.795 -22.423 1.00 0.00 H ATOM 1794 N ALA A 551 14.299 3.204 -24.289 1.00 23.08 N ATOM 1795 CA ALA A 551 15.677 3.426 -24.752 1.00 22.43 C ATOM 1796 C ALA A 551 15.762 4.551 -25.786 1.00 24.23 C ATOM 1797 O ALA A 551 14.838 4.750 -26.583 1.00 15.18 O ATOM 1798 CB ALA A 551 16.253 2.142 -25.326 1.00 26.08 C ATOM 1799 H ALA A 551 13.871 2.265 -24.415 1.00 0.00 H TER 1800 ALA A 551 HETATM 1801 O HOH 1 -9.460 -24.422 -11.925 1.00 30.31 O HETATM 1802 O HOH 2 -5.501 -9.668 12.152 1.00 48.39 O HETATM 1803 O HOH 3 21.366 -5.238 2.621 1.00 25.47 O HETATM 1804 O HOH 4 -5.546 -24.834 3.901 1.00 32.98 O HETATM 1805 O HOH 5 14.976 -27.613 -3.958 1.00 46.58 O HETATM 1806 O HOH 6 19.000 -12.214 -1.648 1.00 26.04 O HETATM 1807 O HOH 7 -5.353 2.844 -24.358 1.00 44.58 O HETATM 1808 O HOH 8 -9.299 -22.904 -16.304 1.00 30.40 O HETATM 1809 O HOH 9 -3.717 -19.026 5.182 1.00 25.56 O HETATM 1810 O HOH 10 -5.691 -14.586 8.078 1.00 46.22 O HETATM 1811 O HOH 11 17.174 -12.872 -3.934 1.00 22.89 O HETATM 1812 O HOH 12 -0.606 -15.322 15.877 1.00 50.67 O HETATM 1813 O HOH 13 -7.165 -12.795 -11.535 1.00 51.54 O HETATM 1814 O HOH 14 -2.740 -12.377 -6.841 1.00 24.98 O HETATM 1815 O HOH 15 18.549 -8.490 0.685 1.00 24.06 O HETATM 1816 O HOH 16 12.788 -0.592 11.169 1.00 23.37 O HETATM 1817 O HOH 17 4.165 7.827 -21.794 1.00 19.51 O HETATM 1818 O HOH 18 22.229 -20.591 4.903 1.00 31.14 O HETATM 1819 O HOH 19 20.415 -30.338 2.843 1.00 37.41 O HETATM 1820 O HOH 20 17.546 -11.244 0.620 1.00 21.36 O HETATM 1821 O HOH 21 -1.447 5.050 -26.125 1.00 22.94 O HETATM 1822 O HOH 22 -4.513 -17.587 3.141 1.00 25.89 O HETATM 1823 O HOH 23 15.578 -0.231 11.325 1.00 26.60 O HETATM 1824 O HOH 24 -3.794 -3.106 -3.086 1.00 31.87 O HETATM 1825 O HOH 25 4.526 -28.509 -13.042 1.00 26.18 O HETATM 1826 O HOH 26 16.061 5.114 8.402 1.00 34.16 O HETATM 1827 O HOH 27 11.231 1.638 11.542 1.00 38.07 O HETATM 1828 O HOH 28 4.079 -30.662 -11.413 1.00 27.65 O HETATM 1829 O HOH 29 18.807 -25.614 8.511 1.00 47.55 O HETATM 1830 O HOH 30 6.530 -31.509 -18.848 1.00 57.65 O HETATM 1831 O HOH 31 7.032 -33.386 -8.939 1.00 46.80 O HETATM 1832 O HOH 32 15.314 5.832 -29.079 1.00 18.41 O HETATM 1833 O HOH 33 -1.598 -19.593 1.349 1.00 25.33 O HETATM 1834 O HOH 34 8.852 1.435 -22.852 1.00 30.35 O HETATM 1835 O HOH 35 -1.787 -28.887 -2.222 1.00 36.73 O HETATM 1836 O HOH 36 7.754 -7.504 6.643 1.00 32.27 O HETATM 1837 O HOH 37 -4.243 -27.664 0.562 1.00 31.72 O HETATM 1838 O HOH 38 -4.969 -17.184 9.576 1.00 30.01 O HETATM 1839 O HOH 39 19.161 -16.175 -6.402 1.00 26.91 O HETATM 1840 O HOH 40 -11.748 -26.442 -17.022 1.00 41.21 O HETATM 1841 O HOH 41 17.964 -24.756 1.519 1.00 40.55 O HETATM 1842 O HOH 42 13.822 -19.189 8.768 1.00 32.99 O HETATM 1843 O HOH 43 17.979 -22.057 -6.440 1.00 58.99 O HETATM 1844 O HOH 44 0.091 -28.630 -4.776 1.00 48.96 O HETATM 1845 O HOH 45 22.715 -12.178 -12.820 1.00 34.22 O HETATM 1846 O HOH 46 -1.770 -26.975 3.831 1.00 44.75 O HETATM 1847 O HOH 47 7.699 -2.127 7.357 1.00 38.79 O HETATM 1848 O HOH 48 -0.472 -21.816 -0.054 1.00 24.32 O HETATM 1849 O HOH 49 18.493 -17.146 -10.005 1.00 24.38 O HETATM 1850 O HOH 50 17.724 -25.231 -11.141 1.00 37.42 O HETATM 1851 O HOH 51 -4.850 -0.249 -29.471 1.00 41.71 O HETATM 1852 O HOH 52 -6.854 4.051 -21.847 1.00 56.25 O HETATM 1853 O HOH 53 8.684 -6.703 -30.015 1.00 50.19 O HETATM 1854 O HOH 54 10.009 -8.931 -28.358 1.00 53.44 O HETATM 1855 O HOH 55 -6.924 -8.789 5.210 1.00 40.43 O HETATM 1856 O HOH 56 13.846 -16.861 11.724 1.00 46.12 O HETATM 1857 O HOH 57 -0.445 -11.431 15.332 1.00 55.51 O HETATM 1858 O HOH 58 17.129 3.582 5.966 1.00 29.56 O HETATM 1859 O HOH 59 10.186 -3.873 -24.740 1.00 41.64 O HETATM 1860 O HOH 60 -12.475 -27.945 -14.430 1.00 32.84 O HETATM 1861 O HOH 61 -1.604 1.779 -32.315 1.00 46.14 O HETATM 1862 O HOH 62 -2.109 -26.303 -21.837 1.00 30.23 O HETATM 1863 O HOH 63 18.798 -28.228 5.226 1.00 54.61 O HETATM 1864 O HOH 64 6.397 0.596 -36.204 1.00 36.89 O HETATM 1865 O HOH 65 -5.782 -13.978 4.017 1.00 41.34 O HETATM 1866 O HOH 66 18.293 -19.515 -5.650 1.00 51.42 O HETATM 1867 O HOH 67 20.436 -3.312 0.557 1.00 36.85 O HETATM 1868 O HOH 68 14.233 7.909 -25.927 1.00 50.68 O HETATM 1869 O HOH 69 -0.233 3.511 -30.885 1.00 43.39 O HETATM 1870 O HOH 70 17.398 -26.005 -8.648 1.00 63.15 O HETATM 1871 O HOH 71 -12.000 -25.881 -12.248 1.00 38.02 O HETATM 1872 O HOH 72 -13.361 -14.912 -12.167 1.00 57.43 O HETATM 1873 O HOH 73 22.587 -17.904 -16.011 1.00 49.61 O HETATM 1874 O HOH 74 16.081 -21.703 8.421 1.00 39.31 O HETATM 1875 O HOH 75 -0.805 7.201 -12.560 1.00 36.47 O HETATM 1876 O HOH 76 9.399 -6.392 -23.485 1.00 39.44 O HETATM 1877 O HOH 77 -5.873 -11.491 0.796 1.00 39.85 O HETATM 1878 O HOH 78 -1.569 5.555 -28.927 1.00 33.60 O HETATM 1879 O HOH 79 -6.729 1.849 -18.918 1.00 62.46 O HETATM 1880 O HOH 80 6.536 -34.639 -11.178 1.00 47.90 O HETATM 1881 O HOH 81 6.394 -0.632 9.073 1.00 48.13 O HETATM 1882 O HOH 82 -12.010 -23.780 -21.272 1.00 53.84 O HETATM 1883 O HOH 83 18.016 1.188 2.077 1.00 26.80 O HETATM 1884 O HOH 84 18.173 -30.511 4.759 1.00 50.01 O HETATM 1885 O HOH 85 -0.678 -26.173 -24.085 1.00 30.62 O HETATM 1886 O HOH 86 4.396 9.123 -13.875 1.00 36.81 O HETATM 1887 O HOH 87 19.333 2.707 4.243 1.00 30.53 O HETATM 1888 O HOH 88 12.008 -1.265 -22.151 1.00 58.21 O HETATM 1889 O HOH 89 7.130 -27.440 -12.534 1.00 23.44 O HETATM 1890 O HOH 90 -5.207 -14.822 -28.714 1.00 50.26 O HETATM 1891 O HOH 91 11.753 5.867 6.554 1.00 43.19 O HETATM 1892 O HOH 92 3.287 -5.946 3.693 1.00 28.89 O HETATM 1893 O HOH 93 -8.314 -14.663 -12.318 1.00 41.06 O HETATM 1894 O HOH 94 16.590 -18.705 2.650 1.00 21.82 O HETATM 1895 O HOH 95 15.670 -24.391 -2.809 1.00 29.54 O HETATM 1896 O HOH 96 7.043 -10.412 0.583 1.00 17.19 O HETATM 1897 O HOH 97 -2.045 -14.869 -22.399 1.00 18.25 O HETATM 1898 O HOH 98 15.561 0.975 3.525 1.00 19.99 O HETATM 1899 O HOH 99 12.792 -11.365 -1.937 1.00 17.03 O HETATM 1900 O HOH 100 4.242 3.630 1.959 1.00 52.28 O HETATM 1901 O HOH 101 10.234 1.046 8.002 1.00 25.00 O HETATM 1902 O HOH 102 8.221 5.446 -9.241 1.00 45.19 O HETATM 1903 O HOH 103 10.464 -24.060 -7.249 1.00 19.53 O HETATM 1904 O HOH 104 5.827 -12.667 -27.670 1.00 22.68 O HETATM 1905 O HOH 105 -5.792 -7.219 -12.832 1.00 26.10 O HETATM 1906 O HOH 106 10.424 -5.422 -1.851 1.00 16.77 O HETATM 1907 O HOH 107 1.993 -13.217 -23.305 1.00 19.84 O HETATM 1908 O HOH 108 5.777 -4.569 -17.360 1.00 19.17 O HETATM 1909 O HOH 109 -1.062 -14.253 -14.858 1.00 17.38 O HETATM 1910 O HOH 110 7.767 -12.392 6.239 1.00 23.83 O HETATM 1911 O HOH 111 7.497 -13.261 3.738 1.00 20.13 O HETATM 1912 O HOH 112 0.799 -14.445 -34.060 1.00 30.44 O HETATM 1913 O HOH 113 14.807 -14.321 -16.244 1.00 20.73 O HETATM 1914 O HOH 114 13.965 -12.631 -5.555 1.00 21.28 O HETATM 1915 O HOH 115 16.701 -18.759 -8.044 1.00 24.80 O HETATM 1916 O HOH 116 8.333 -4.480 -16.342 1.00 21.87 O HETATM 1917 O HOH 117 5.382 -10.955 5.536 1.00 26.79 O HETATM 1918 O HOH 118 7.643 -11.178 -24.620 1.00 22.03 O HETATM 1919 O HOH 119 14.900 -1.691 4.170 1.00 19.35 O HETATM 1920 O HOH 120 -0.467 -0.960 -15.264 1.00 21.57 O HETATM 1921 O HOH 121 1.980 -7.848 -31.255 1.00 22.92 O HETATM 1922 O HOH 122 12.334 -17.177 -16.398 1.00 18.85 O HETATM 1923 O HOH 123 2.608 5.398 -8.253 1.00 33.00 O HETATM 1924 O HOH 124 15.350 -10.465 -0.709 1.00 17.89 O HETATM 1925 O HOH 125 -0.773 -19.678 -28.040 1.00 40.12 O HETATM 1926 O HOH 126 9.015 -10.273 7.599 1.00 26.46 O HETATM 1927 O HOH 127 6.222 -20.787 -15.567 1.00 18.69 O HETATM 1928 O HOH 128 -3.725 -3.810 -24.130 1.00 22.09 O HETATM 1929 O HOH 129 -2.856 0.564 -9.335 1.00 31.86 O HETATM 1930 O HOH 130 3.562 -22.531 -24.362 1.00 25.67 O HETATM 1931 O HOH 131 9.745 -23.241 -15.894 1.00 27.41 O HETATM 1932 O HOH 132 12.854 -0.017 -13.521 1.00 29.74 O HETATM 1933 O HOH 133 -2.920 -16.672 -29.040 1.00 39.51 O HETATM 1934 O HOH 134 -5.429 -5.419 -17.236 1.00 30.50 O HETATM 1935 O HOH 135 -5.962 -15.735 -26.120 1.00 34.20 O HETATM 1936 O HOH 136 -6.633 -7.242 -32.086 1.00 42.49 O HETATM 1937 O HOH 137 15.747 2.470 -2.801 1.00 30.12 O HETATM 1938 O HOH 138 12.135 -18.177 -20.276 1.00 36.75 O HETATM 1939 O HOH 139 -2.048 -0.116 -2.145 1.00 29.53 O HETATM 1940 O HOH 140 16.170 -6.685 -14.313 1.00 35.36 O HETATM 1941 O HOH 141 15.870 -3.596 -13.894 1.00 39.50 O HETATM 1942 O HOH 142 -4.259 0.401 -7.199 1.00 40.75 O HETATM 1943 O HOH 143 15.004 4.399 3.214 1.00 37.26 O HETATM 1944 O HOH 144 13.863 -2.286 -12.542 1.00 25.13 O HETATM 1945 O HOH 145 22.803 -15.314 -16.001 1.00 33.93 O HETATM 1946 O HOH 146 4.083 -6.884 -32.403 1.00 30.13 O HETATM 1947 O HOH 147 -2.769 -2.211 -14.117 1.00 30.49 O HETATM 1948 O HOH 148 -2.899 -1.612 -25.598 1.00 25.71 O HETATM 1949 O HOH 149 -6.296 -4.488 -24.537 1.00 39.37 O HETATM 1950 O HOH 150 13.728 -24.924 -13.964 1.00 31.50 O HETATM 1951 O HOH 151 1.016 -23.640 -24.842 1.00 30.12 O HETATM 1952 O HOH 152 11.053 -24.453 -13.519 1.00 25.24 O HETATM 1953 O HOH 153 4.923 -11.320 8.818 1.00 42.14 O HETATM 1954 O HOH 154 1.183 -15.496 -31.563 1.00 49.54 O HETATM 1955 O HOH 155 -3.373 -4.687 -33.997 1.00 32.78 O HETATM 1956 O HOH 156 17.039 -2.343 -4.148 1.00 35.29 O HETATM 1957 O HOH 157 6.262 -15.320 -28.595 1.00 36.68 O HETATM 1958 O HOH 158 -3.902 -2.877 -0.253 1.00 38.34 O HETATM 1959 O HOH 159 -6.712 -5.765 -14.926 1.00 31.21 O HETATM 1960 O HOH 160 16.709 3.279 -0.350 1.00 46.52 O HETATM 1961 O HOH 161 -0.532 -17.457 -30.884 1.00 37.62 O HETATM 1962 O HOH 162 16.091 -23.626 -13.725 1.00 29.92 O HETATM 1963 O HOH 163 -11.203 -20.658 -21.226 1.00 34.02 O HETATM 1964 O HOH 164 5.371 -17.707 -27.591 1.00 34.44 O HETATM 1965 O HOH 165 14.409 7.182 0.688 1.00 48.46 O HETATM 1966 O HOH 166 6.483 -25.745 -19.412 1.00 33.76 O HETATM 1967 O HOH 167 -2.114 -1.103 -17.729 1.00 35.51 O HETATM 1968 O HOH 168 -4.252 1.232 -2.791 1.00 39.33 O HETATM 1969 O HOH 169 8.198 -27.422 -15.134 1.00 37.46 O HETATM 1970 O HOH 170 9.548 -27.734 -8.711 1.00 29.83 O HETATM 1971 O HOH 171 15.191 3.219 -21.013 1.00 56.35 O HETATM 1972 O HOH 172 -2.987 0.168 -23.452 1.00 41.26 O HETATM 1973 O HOH 173 16.218 -2.927 -6.649 1.00 33.02 O HETATM 1974 O HOH 174 5.804 -8.292 5.357 1.00 35.39 O HETATM 1975 O HOH 175 -10.192 -12.175 -20.463 1.00 35.06 O HETATM 1976 O HOH 176 19.969 -19.577 -16.602 1.00 53.27 O HETATM 1977 O HOH 177 -9.659 -13.778 -24.386 1.00 40.62 O HETATM 1978 O HOH 178 3.711 -3.694 -32.808 1.00 29.89 O HETATM 1979 O HOH 179 -1.593 4.143 -10.198 1.00 39.10 O HETATM 1980 O HOH 180 -8.584 -15.470 -26.113 1.00 39.31 O HETATM 1981 O HOH 181 14.858 -7.217 -16.799 1.00 37.92 O HETATM 1982 O HOH 182 -1.965 -6.396 -35.620 1.00 34.86 O HETATM 1983 O HOH 183 4.527 -13.606 -30.652 1.00 41.04 O HETATM 1984 O HOH 184 6.364 -14.170 11.358 1.00 62.27 O HETATM 1985 O HOH 185 -9.718 -21.996 -24.487 1.00 42.58 O HETATM 1986 O HOH 186 14.857 -4.908 -18.290 1.00 45.32 O HETATM 1987 O HOH 187 -9.292 -11.112 -18.186 1.00 34.00 O HETATM 1988 O HOH 188 15.791 -15.232 -20.572 1.00 34.40 O HETATM 1989 O HOH 189 -5.834 -6.827 -35.598 1.00 48.17 O HETATM 1990 O HOH 190 16.463 -9.000 -18.224 1.00 41.14 O HETATM 1991 O HOH 191 -0.915 -22.101 -26.513 1.00 38.50 O HETATM 1992 O HOH 192 12.918 -20.305 -18.881 1.00 39.67 O HETATM 1993 O HOH 193 13.316 4.549 -6.095 1.00 40.26 O HETATM 1994 O HOH 194 16.587 -0.719 -8.650 1.00 43.92 O HETATM 1995 O HOH 195 10.325 6.225 9.859 1.00 63.11 O HETATM 1996 O HOH 196 9.557 -19.017 -21.191 1.00 37.97 O HETATM 1997 O HOH 197 -7.448 -5.985 -18.810 1.00 38.15 O HETATM 1998 O HOH 198 -1.687 6.358 -5.768 1.00 61.29 O HETATM 1999 O HOH 199 9.551 1.388 -19.470 1.00 47.33 O HETATM 2000 O HOH 200 -3.873 -0.676 -12.046 1.00 40.59 O HETATM 2001 O HOH 201 -7.241 -2.916 -26.344 1.00 41.06 O HETATM 2002 O HOH 202 13.509 -25.468 -16.696 1.00 49.07 O HETATM 2003 O HOH 203 -6.325 -0.981 0.250 1.00 46.22 O HETATM 2004 O HOH 204 9.021 -25.712 0.623 1.00 44.67 O HETATM 2005 O HOH 205 11.457 -4.989 -19.484 1.00 41.16 O HETATM 2006 O HOH 206 0.680 5.763 1.434 1.00 46.37 O HETATM 2007 O HOH 207 -11.483 -9.780 -21.879 1.00 46.14 O HETATM 2008 O HOH 208 11.178 4.503 -12.070 1.00 63.87 O HETATM 2009 O HOH 209 8.198 6.800 -7.094 1.00 61.25 O HETATM 2010 O HOH 210 -6.410 -2.260 -32.211 1.00 77.21 O HETATM 2011 O HOH 211 5.339 -27.897 -20.532 1.00 42.83 O HETATM 2012 O HOH 212 15.959 4.730 -4.350 1.00 41.53 O HETATM 2013 O HOH 213 17.727 -23.454 -15.939 1.00 52.14 O HETATM 2014 O HOH 214 4.258 -21.818 -26.785 1.00 41.88 O HETATM 2015 O HOH 215 0.829 -1.529 -35.754 1.00 45.18 O HETATM 2016 O HOH 216 -4.293 -2.382 -16.828 1.00 48.72 O HETATM 2017 O HOH 217 8.463 -25.587 -16.886 1.00 44.16 O HETATM 2018 O HOH 218 15.794 -20.516 -20.413 1.00 65.35 O HETATM 2019 O HOH 219 8.262 -29.333 -11.000 1.00 49.31 O HETATM 2020 O HOH 220 10.294 -20.721 -23.194 1.00 47.79 O HETATM 2021 O HOH 221 2.485 -14.525 -36.316 1.00 69.73 O HETATM 2022 O HOH 222 14.585 -27.925 -16.258 1.00 71.46 O HETATM 2023 O HOH 223 14.267 -27.078 -12.458 1.00 55.71 O HETATM 2024 O HOH 224 12.296 -28.207 -15.002 1.00 66.08 O HETATM 2025 O HOH 225 -9.324 -3.370 -33.091 1.00 62.00 O HETATM 2026 O HOH 226 -9.520 -17.780 -25.148 1.00 60.71 O HETATM 2027 O HOH 227 -5.580 -1.422 -4.221 1.00 39.37 O HETATM 2028 O HOH 228 5.824 -17.751 -37.951 1.00 78.51 O HETATM 2029 O HOH 229 17.509 0.293 -3.373 1.00 40.86 O HETATM 2030 O HOH 230 14.900 6.635 -13.904 1.00 76.92 O HETATM 2031 O HOH 231 -3.326 -20.516 -29.292 1.00 50.77 O HETATM 2032 O HOH 232 13.513 -16.663 -22.266 1.00 46.04 O HETATM 2033 O HOH 233 -0.810 -8.610 10.971 1.00 77.57 O HETATM 2034 O HOH 234 5.103 -24.891 -24.556 1.00 39.80 O HETATM 2035 O HOH 235 -13.783 -15.169 -14.998 1.00 58.42 O HETATM 2036 O HOH 236 -4.954 1.708 -13.459 1.00 52.11 O HETATM 2037 O HOH 237 17.664 7.040 -12.904 1.00 58.89 O HETATM 2038 O HOH 238 -9.656 -15.010 -28.739 1.00 61.54 O HETATM 2039 O HOH 239 2.296 5.421 -5.424 1.00 45.68 O HETATM 2040 O HOH 240 -11.587 -13.645 -16.353 1.00 59.22 O HETATM 2041 O HOH 241 3.167 4.980 -2.938 1.00 42.91 O HETATM 2042 O HOH 242 11.761 -26.440 -7.260 1.00 30.77 O HETATM 2043 O HOH 243 -9.875 -11.314 -25.632 1.00 52.35 O HETATM 2044 O HOH 244 11.722 -22.563 -17.869 1.00 30.95 O HETATM 2045 O HOH 245 -5.393 -1.093 -26.814 1.00 30.43 O HETATM 2046 O HOH 246 10.230 -27.069 -13.478 1.00 39.98 O HETATM 2047 O HOH 247 3.541 -27.426 -25.126 1.00 39.79 O HETATM 2048 O HOH 248 13.008 -14.739 -23.971 1.00 54.45 O HETATM 2049 O HOH 249 -12.149 -14.208 -18.897 1.00 58.66 O HETATM 2050 O HOH 250 4.816 -14.774 -34.400 1.00 58.07 O HETATM 2051 O HOH 251 12.028 -15.970 -26.036 1.00 58.14 O HETATM 2052 O HOH 252 7.753 -26.753 -4.080 1.00 40.34 O HETATM 2053 O HOH 253 -3.499 -5.877 4.070 1.00 29.01 O HETATM 2054 O HOH 254 12.849 -22.466 4.421 1.00 40.72 O HETATM 2055 O HOH 255 6.178 4.384 -2.890 1.00 46.42 O HETATM 2056 O HOH 256 2.233 -28.417 -6.285 1.00 32.36 O HETATM 2057 O HOH 257 -9.269 -10.403 -14.175 1.00 49.18 O HETATM 2058 O HOH 258 -3.771 2.023 -5.384 1.00 50.89 O HETATM 2059 O HOH 259 5.884 -1.179 -18.612 1.00 41.46 O HETATM 2060 O HOH 260 -9.784 -13.826 -14.051 1.00 43.13 O HETATM 2061 O HOH 261 -0.917 -1.967 5.393 1.00 41.71 O HETATM 2062 O HOH 262 14.283 -26.767 -6.566 1.00 43.75 O HETATM 2063 O HOH 263 6.605 3.326 5.157 1.00 37.42 O HETATM 2064 O HOH 264 6.614 -13.549 8.580 1.00 43.90 O HETATM 2065 O HOH 265 9.398 5.356 7.236 1.00 53.01 O HETATM 2066 O HOH 266 -8.412 -8.977 -25.240 1.00 45.62 O HETATM 2067 O HOH 267 -5.157 4.421 -5.454 1.00 56.01 O HETATM 2068 O HOH 268 7.363 -3.114 -20.739 1.00 39.16 O HETATM 2069 O HOH 269 -9.763 -8.899 -28.254 1.00 50.62 O HETATM 2070 O HOH 270 3.278 -5.117 6.141 1.00 35.67 O HETATM 2071 O HOH 271 1.740 -3.026 6.918 1.00 38.21 O HETATM 2072 O HOH 272 9.211 -11.393 -26.591 1.00 38.95 O HETATM 2073 O HOH 273 8.576 -25.160 -2.237 1.00 27.25 O HETATM 2074 O HOH 274 12.735 -25.250 0.917 1.00 51.36 O HETATM 2075 O HOH 275 10.824 5.828 -9.320 1.00 48.43 O HETATM 2076 O HOH 276 -5.543 -3.509 -10.488 1.00 49.31 O HETATM 2077 O HOH 277 -5.629 -1.424 -21.832 1.00 50.92 O HETATM 2078 O HOH 278 -1.613 -4.870 -37.751 1.00 45.14 O HETATM 2079 O HOH 279 8.621 -31.825 -3.797 1.00 57.81 O HETATM 2080 O HOH 280 13.300 6.566 4.523 1.00 53.81 O HETATM 2081 O HOH 281 9.226 -14.191 -29.005 1.00 53.20 O HETATM 2082 O HOH 282 11.900 -12.329 -24.209 1.00 50.24 O HETATM 2083 O HOH 283 14.423 -11.436 -23.683 1.00 51.55 O HETATM 2084 O HOH 284 8.909 -22.655 7.999 1.00 50.05 O HETATM 2085 O HOH 285 3.860 -15.732 -31.597 1.00 46.47 O HETATM 2086 O HOH 286 3.936 -9.625 -34.451 1.00 48.00 O HETATM 2087 O HOH 287 -7.356 -5.255 -9.166 1.00 54.72 O HETATM 2088 FAG UNN A 288 18.131 -7.896 -4.858 1.00 -0.17 F HETATM 2089 CAF UNN A 288 16.897 -8.429 -4.759 1.00 0.16 C HETATM 2090 CAI UNN A 288 16.679 -9.610 -4.058 1.00 0.01 C HETATM 2091 CAH UNN A 288 15.391 -10.134 -3.969 1.00 0.10 C HETATM 2092 OAJ UNN A 288 15.174 -11.288 -3.290 1.00 -0.33 O HETATM 2093 H UNN A 288 15.680 -11.987 -3.686 1.00 0.25 H HETATM 2094 CAE UNN A 288 14.325 -9.479 -4.581 1.00 -0.02 C HETATM 2095 CAA UNN A 288 14.548 -8.296 -5.273 1.00 -0.04 C HETATM 2096 CAB UNN A 288 15.838 -7.776 -5.362 1.00 0.12 C HETATM 2097 CAC UNN A 288 16.064 -6.687 -6.013 1.00 0.09 C HETATM 2098 NAD UNN A 288 16.287 -5.713 -6.596 1.00 -0.34 N HETATM 2099 H UNN A 288 13.720 -7.778 -5.743 1.00 0.07 H HETATM 2100 H UNN A 288 13.325 -9.891 -4.517 1.00 0.05 H HETATM 2101 H UNN A 288 17.508 -10.121 -3.582 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2088 2089 CONECT 2089 2088 2090 2096 CONECT 2090 2089 2091 2101 CONECT 2091 2090 2092 2094 CONECT 2092 2091 2093 CONECT 2093 2092 CONECT 2094 2091 2095 2100 CONECT 2095 2094 2096 2099 CONECT 2096 2089 2095 2097 CONECT 2097 2096 2098 CONECT 2098 2097 CONECT 2099 2095 CONECT 2100 2094 CONECT 2101 2090 MASTER 0 0 0 0 0 0 0 0 2100 1 18 14 END
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Structure:
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Related entries of code: 4wh7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4wh9
RCSB PDB
PDBbind
183aa, >4WH9_1|Chain... at 100%
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
4wh7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M-phase inducer phosphatase 2 CDC25B
Ligand Name
8H8
EC.Number
E.C.3.1.3.48
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
IC50>5mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acs Chem.Biol.Vol.10: pp.390-394
Ligand Properties
Formula
C
7
H
4
FNO
Molecular Weight
137.111
Exact Mass
137.028
No. of atoms
14
No. of bonds
14
Polar Surface Area
44.02
LOGP Value
1.39 (
Computed with XLOGP3
)
1.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
N#Cc1ccc(cc1F)O
InChI String
InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
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):
P30305
Entrez Gene ID
NCBI Entrez Gene ID:
994
ASD
Information of known allosteric effects of PDB entries
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