USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 456 SER OG : rot -65:sc= 0.534 USER MOD Set 1.2: A 458 THR OG1 : rot 180:sc= 0.509 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 TYR OH : rot 180:sc= -0.754 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 449 SER OG : rot 105:sc= 1.22 USER MOD Single : A 452 SER OG : rot -77:sc= 0.592 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 163:sc= 0.634 (180deg=0.515) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 477 SER OG : rot -35:sc= 0.25 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 484 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.577 K(o=0.58,f=-0.3) USER MOD Single : A 490 MET CE :methyl 178:sc= -1.93 (180deg=-2.08) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 10.814 -3.131 -10.246 1.00 0.00 N ATOM 2 CA GLY A 439 10.995 -4.173 -9.231 1.00 0.00 C ATOM 3 C GLY A 439 11.560 -3.572 -7.958 1.00 0.00 C ATOM 4 O GLY A 439 11.639 -2.349 -7.817 1.00 0.00 O ATOM 0 HA2 GLY A 439 10.041 -4.656 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 439 11.667 -4.944 -9.607 1.00 0.00 H new ATOM 8 N SER A 440 11.960 -4.424 -7.017 1.00 0.00 N ATOM 9 CA SER A 440 12.538 -4.011 -5.742 1.00 0.00 C ATOM 10 C SER A 440 13.696 -4.932 -5.357 1.00 0.00 C ATOM 11 O SER A 440 14.028 -5.066 -4.184 1.00 0.00 O ATOM 12 CB SER A 440 11.444 -3.960 -4.676 1.00 0.00 C ATOM 13 OG SER A 440 10.814 -5.210 -4.487 1.00 0.00 O ATOM 0 H SER A 440 11.890 -5.436 -7.121 1.00 0.00 H new ATOM 0 HA SER A 440 12.955 -3.008 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 440 11.876 -3.628 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.697 -3.220 -4.962 1.00 0.00 H new ATOM 0 HG SER A 440 10.124 -5.128 -3.796 1.00 0.00 H new ATOM 19 N GLU A 441 14.298 -5.595 -6.341 1.00 0.00 N ATOM 20 CA GLU A 441 15.400 -6.531 -6.188 1.00 0.00 C ATOM 21 C GLU A 441 16.549 -5.997 -5.328 1.00 0.00 C ATOM 22 O GLU A 441 17.089 -6.752 -4.511 1.00 0.00 O ATOM 23 CB GLU A 441 15.858 -6.957 -7.587 1.00 0.00 C ATOM 24 CG GLU A 441 16.490 -5.817 -8.413 1.00 0.00 C ATOM 25 CD GLU A 441 16.026 -5.798 -9.866 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.793 -5.715 -10.088 1.00 0.00 O ATOM 27 OE2 GLU A 441 16.888 -5.812 -10.778 1.00 0.00 O ATOM 0 H GLU A 441 14.013 -5.486 -7.314 1.00 0.00 H new ATOM 0 HA GLU A 441 15.046 -7.400 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.581 -7.767 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 441 15.003 -7.357 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.246 -4.862 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.575 -5.916 -8.386 1.00 0.00 H new ATOM 34 N THR A 442 16.885 -4.709 -5.457 1.00 0.00 N ATOM 35 CA THR A 442 17.957 -4.058 -4.720 1.00 0.00 C ATOM 36 C THR A 442 17.475 -3.391 -3.418 1.00 0.00 C ATOM 37 O THR A 442 18.152 -2.522 -2.865 1.00 0.00 O ATOM 38 CB THR A 442 18.800 -3.148 -5.647 1.00 0.00 C ATOM 39 OG1 THR A 442 18.016 -2.369 -6.532 1.00 0.00 O ATOM 40 CG2 THR A 442 19.738 -4.002 -6.509 1.00 0.00 C ATOM 0 H THR A 442 16.401 -4.079 -6.097 1.00 0.00 H new ATOM 0 HA THR A 442 18.640 -4.832 -4.369 1.00 0.00 H new ATOM 0 HB THR A 442 19.348 -2.479 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 442 18.603 -1.816 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.327 -3.354 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.406 -4.573 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.149 -4.687 -7.119 1.00 0.00 H new ATOM 48 N CYS A 443 16.330 -3.822 -2.882 1.00 0.00 N ATOM 49 CA CYS A 443 15.714 -3.302 -1.663 1.00 0.00 C ATOM 50 C CYS A 443 15.065 -4.443 -0.879 1.00 0.00 C ATOM 51 O CYS A 443 14.525 -5.378 -1.465 1.00 0.00 O ATOM 52 CB CYS A 443 14.647 -2.271 -2.056 1.00 0.00 C ATOM 53 SG CYS A 443 15.284 -0.770 -2.850 1.00 0.00 S ATOM 0 H CYS A 443 15.786 -4.574 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 443 16.473 -2.834 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.936 -2.747 -2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.094 -1.984 -1.161 1.00 0.00 H new ATOM 58 N ILE A 444 15.073 -4.376 0.454 1.00 0.00 N ATOM 59 CA ILE A 444 14.475 -5.388 1.317 1.00 0.00 C ATOM 60 C ILE A 444 13.709 -4.612 2.375 1.00 0.00 C ATOM 61 O ILE A 444 14.276 -4.021 3.292 1.00 0.00 O ATOM 62 CB ILE A 444 15.534 -6.400 1.830 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.784 -7.518 0.790 1.00 0.00 C ATOM 64 CG2 ILE A 444 15.190 -7.035 3.188 1.00 0.00 C ATOM 65 CD1 ILE A 444 14.585 -8.440 0.506 1.00 0.00 C ATOM 0 H ILE A 444 15.501 -3.606 0.968 1.00 0.00 H new ATOM 0 HA ILE A 444 13.776 -6.045 0.800 1.00 0.00 H new ATOM 0 HB ILE A 444 16.440 -5.812 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.094 -7.056 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.617 -8.131 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.980 -7.729 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 444 15.101 -6.254 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.245 -7.572 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 444 14.868 -9.187 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.284 -8.939 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 444 13.753 -7.848 0.126 1.00 0.00 H new ATOM 77 N TYR A 445 12.394 -4.551 2.203 1.00 0.00 N ATOM 78 CA TYR A 445 11.507 -3.842 3.102 1.00 0.00 C ATOM 79 C TYR A 445 10.841 -4.791 4.087 1.00 0.00 C ATOM 80 O TYR A 445 10.847 -6.011 3.910 1.00 0.00 O ATOM 81 CB TYR A 445 10.383 -3.209 2.285 1.00 0.00 C ATOM 82 CG TYR A 445 10.820 -2.385 1.103 1.00 0.00 C ATOM 83 CD1 TYR A 445 11.260 -1.073 1.323 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.656 -2.862 -0.215 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.549 -0.250 0.231 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.958 -2.038 -1.310 1.00 0.00 C ATOM 87 CZ TYR A 445 11.426 -0.729 -1.087 1.00 0.00 C ATOM 88 OH TYR A 445 11.756 0.091 -2.111 1.00 0.00 O ATOM 0 H TYR A 445 11.913 -5.000 1.424 1.00 0.00 H new ATOM 0 HA TYR A 445 12.101 -3.103 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.726 -4.003 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.790 -2.577 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 445 11.375 -0.700 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.296 -3.867 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.871 0.767 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.832 -2.406 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 445 11.621 -0.377 -2.961 1.00 0.00 H new ATOM 98 N SER A 446 10.245 -4.217 5.123 1.00 0.00 N ATOM 99 CA SER A 446 9.505 -4.954 6.127 1.00 0.00 C ATOM 100 C SER A 446 8.128 -5.273 5.529 1.00 0.00 C ATOM 101 O SER A 446 7.847 -4.956 4.370 1.00 0.00 O ATOM 102 CB SER A 446 9.382 -4.116 7.400 1.00 0.00 C ATOM 103 OG SER A 446 9.170 -4.979 8.502 1.00 0.00 O ATOM 0 H SER A 446 10.265 -3.211 5.288 1.00 0.00 H new ATOM 0 HA SER A 446 10.014 -5.879 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.287 -3.527 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.555 -3.412 7.309 1.00 0.00 H new ATOM 0 HG SER A 446 9.092 -4.449 9.322 1.00 0.00 H new ATOM 109 N ASN A 447 7.281 -5.945 6.302 1.00 0.00 N ATOM 110 CA ASN A 447 5.939 -6.323 5.908 1.00 0.00 C ATOM 111 C ASN A 447 5.091 -5.061 5.748 1.00 0.00 C ATOM 112 O ASN A 447 5.447 -3.998 6.261 1.00 0.00 O ATOM 113 CB ASN A 447 5.352 -7.214 7.008 1.00 0.00 C ATOM 114 CG ASN A 447 6.295 -8.330 7.431 1.00 0.00 C ATOM 115 OD1 ASN A 447 6.782 -8.343 8.561 1.00 0.00 O ATOM 116 ND2 ASN A 447 6.639 -9.238 6.542 1.00 0.00 N ATOM 0 H ASN A 447 7.521 -6.248 7.246 1.00 0.00 H new ATOM 0 HA ASN A 447 5.951 -6.863 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.111 -6.600 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.417 -7.649 6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 447 7.315 -9.961 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 447 6.229 -9.218 5.608 1.00 0.00 H new ATOM 123 N TRP A 448 3.975 -5.160 5.034 1.00 0.00 N ATOM 124 CA TRP A 448 3.102 -4.017 4.842 1.00 0.00 C ATOM 125 C TRP A 448 2.244 -3.798 6.075 1.00 0.00 C ATOM 126 O TRP A 448 1.701 -4.755 6.630 1.00 0.00 O ATOM 127 CB TRP A 448 2.165 -4.244 3.657 1.00 0.00 C ATOM 128 CG TRP A 448 2.752 -3.971 2.313 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.981 -4.873 1.333 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.145 -2.678 1.776 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.452 -4.222 0.211 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.553 -2.865 0.425 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.164 -1.364 2.290 1.00 0.00 C ATOM 134 CZ2 TRP A 448 3.974 -1.795 -0.373 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.646 -0.299 1.513 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.095 -0.522 0.205 1.00 0.00 C ATOM 0 H TRP A 448 3.658 -6.018 4.582 1.00 0.00 H new ATOM 0 HA TRP A 448 3.734 -3.149 4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.821 -5.278 3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.286 -3.613 3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.820 -5.938 1.415 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.694 -4.686 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.804 -1.176 3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.202 -1.947 -1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.671 0.699 1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.535 0.287 -0.359 1.00 0.00 H new ATOM 147 N SER A 449 2.108 -2.548 6.513 1.00 0.00 N ATOM 148 CA SER A 449 1.250 -2.258 7.647 1.00 0.00 C ATOM 149 C SER A 449 -0.195 -2.481 7.156 1.00 0.00 C ATOM 150 O SER A 449 -0.450 -2.437 5.941 1.00 0.00 O ATOM 151 CB SER A 449 1.449 -0.809 8.082 1.00 0.00 C ATOM 152 OG SER A 449 2.813 -0.518 8.309 1.00 0.00 O ATOM 0 H SER A 449 2.574 -1.737 6.105 1.00 0.00 H new ATOM 0 HA SER A 449 1.476 -2.894 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.056 -0.141 7.315 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.879 -0.620 8.992 1.00 0.00 H new ATOM 0 HG SER A 449 3.163 0.012 7.562 1.00 0.00 H new ATOM 158 N PRO A 450 -1.168 -2.710 8.048 1.00 0.00 N ATOM 159 CA PRO A 450 -2.540 -2.916 7.621 1.00 0.00 C ATOM 160 C PRO A 450 -3.095 -1.637 6.981 1.00 0.00 C ATOM 161 O PRO A 450 -2.674 -0.522 7.311 1.00 0.00 O ATOM 162 CB PRO A 450 -3.307 -3.329 8.876 1.00 0.00 C ATOM 163 CG PRO A 450 -2.486 -2.725 10.014 1.00 0.00 C ATOM 164 CD PRO A 450 -1.052 -2.801 9.492 1.00 0.00 C ATOM 0 HA PRO A 450 -2.629 -3.688 6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.326 -2.943 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.378 -4.413 8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.784 -1.698 10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.607 -3.287 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.444 -1.989 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.573 -3.733 9.791 1.00 0.00 H new ATOM 172 N TRP A 451 -4.025 -1.802 6.040 1.00 0.00 N ATOM 173 CA TRP A 451 -4.657 -0.686 5.356 1.00 0.00 C ATOM 174 C TRP A 451 -5.405 0.162 6.380 1.00 0.00 C ATOM 175 O TRP A 451 -6.120 -0.383 7.221 1.00 0.00 O ATOM 176 CB TRP A 451 -5.634 -1.213 4.303 1.00 0.00 C ATOM 177 CG TRP A 451 -4.998 -1.756 3.064 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.102 -3.018 2.601 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.212 -1.041 2.075 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.378 -3.150 1.434 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.830 -1.950 1.052 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.804 0.295 1.931 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.057 -1.551 -0.042 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.079 0.719 0.807 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.692 -0.205 -0.179 1.00 0.00 C ATOM 0 H TRP A 451 -4.358 -2.716 5.734 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.899 -0.079 4.861 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.242 -1.997 4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.311 -0.406 4.022 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.668 -3.808 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.265 -4.025 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.053 1.010 2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.743 -2.276 -0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.817 1.761 0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.118 0.120 -1.035 1.00 0.00 H new ATOM 196 N SER A 452 -5.227 1.482 6.319 1.00 0.00 N ATOM 197 CA SER A 452 -5.894 2.390 7.232 1.00 0.00 C ATOM 198 C SER A 452 -7.346 2.598 6.795 1.00 0.00 C ATOM 199 O SER A 452 -7.847 1.952 5.864 1.00 0.00 O ATOM 200 CB SER A 452 -5.107 3.710 7.294 1.00 0.00 C ATOM 201 OG SER A 452 -4.881 4.269 6.011 1.00 0.00 O ATOM 0 H SER A 452 -4.621 1.942 5.639 1.00 0.00 H new ATOM 0 HA SER A 452 -5.920 1.967 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.653 4.426 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.149 3.535 7.784 1.00 0.00 H new ATOM 0 HG SER A 452 -4.156 3.783 5.565 1.00 0.00 H new ATOM 207 N ALA A 453 -8.007 3.510 7.501 1.00 0.00 N ATOM 208 CA ALA A 453 -9.375 3.936 7.295 1.00 0.00 C ATOM 209 C ALA A 453 -9.529 4.319 5.825 1.00 0.00 C ATOM 210 O ALA A 453 -8.759 5.140 5.317 1.00 0.00 O ATOM 211 CB ALA A 453 -9.625 5.144 8.197 1.00 0.00 C ATOM 0 H ALA A 453 -7.567 3.999 8.281 1.00 0.00 H new ATOM 0 HA ALA A 453 -10.091 3.150 7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.650 5.490 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.469 4.860 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.935 5.945 7.932 1.00 0.00 H new ATOM 217 N CYS A 454 -10.486 3.704 5.132 1.00 0.00 N ATOM 218 CA CYS A 454 -10.703 3.992 3.727 1.00 0.00 C ATOM 219 C CYS A 454 -11.090 5.449 3.512 1.00 0.00 C ATOM 220 O CYS A 454 -11.862 6.052 4.261 1.00 0.00 O ATOM 221 CB CYS A 454 -11.686 3.009 3.101 1.00 0.00 C ATOM 222 SG CYS A 454 -10.997 1.334 3.008 1.00 0.00 S ATOM 0 H CYS A 454 -11.118 3.006 5.524 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.759 3.849 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.605 2.992 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.952 3.349 2.100 1.00 0.00 H new ATOM 227 N SER A 455 -10.540 5.978 2.427 1.00 0.00 N ATOM 228 CA SER A 455 -10.706 7.335 1.939 1.00 0.00 C ATOM 229 C SER A 455 -12.185 7.621 1.642 1.00 0.00 C ATOM 230 O SER A 455 -12.606 8.766 1.801 1.00 0.00 O ATOM 231 CB SER A 455 -9.760 7.516 0.742 1.00 0.00 C ATOM 232 OG SER A 455 -9.799 8.804 0.173 1.00 0.00 O ATOM 0 H SER A 455 -9.925 5.430 1.826 1.00 0.00 H new ATOM 0 HA SER A 455 -10.431 8.078 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.740 7.302 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.015 6.783 -0.024 1.00 0.00 H new ATOM 0 HG SER A 455 -9.173 8.848 -0.580 1.00 0.00 H new ATOM 238 N SER A 456 -12.974 6.623 1.215 1.00 0.00 N ATOM 239 CA SER A 456 -14.407 6.842 0.963 1.00 0.00 C ATOM 240 C SER A 456 -15.131 6.066 2.044 1.00 0.00 C ATOM 241 O SER A 456 -15.167 4.834 2.008 1.00 0.00 O ATOM 242 CB SER A 456 -14.899 6.448 -0.441 1.00 0.00 C ATOM 243 OG SER A 456 -15.939 7.288 -0.930 1.00 0.00 O ATOM 0 H SER A 456 -12.651 5.671 1.039 1.00 0.00 H new ATOM 0 HA SER A 456 -14.613 7.912 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.059 6.480 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.254 5.418 -0.418 1.00 0.00 H new ATOM 0 HG SER A 456 -16.738 7.178 -0.373 1.00 0.00 H new ATOM 249 N SER A 457 -15.678 6.785 3.012 1.00 0.00 N ATOM 250 CA SER A 457 -16.434 6.205 4.116 1.00 0.00 C ATOM 251 C SER A 457 -17.848 5.807 3.658 1.00 0.00 C ATOM 252 O SER A 457 -18.672 5.401 4.477 1.00 0.00 O ATOM 253 CB SER A 457 -16.532 7.250 5.227 1.00 0.00 C ATOM 254 OG SER A 457 -15.275 7.857 5.488 1.00 0.00 O ATOM 0 H SER A 457 -15.609 7.802 3.055 1.00 0.00 H new ATOM 0 HA SER A 457 -15.928 5.308 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.254 8.016 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 457 -16.905 6.780 6.137 1.00 0.00 H new ATOM 0 HG SER A 457 -15.374 8.521 6.202 1.00 0.00 H new ATOM 260 N THR A 458 -18.119 5.915 2.357 1.00 0.00 N ATOM 261 CA THR A 458 -19.357 5.646 1.656 1.00 0.00 C ATOM 262 C THR A 458 -19.182 4.549 0.608 1.00 0.00 C ATOM 263 O THR A 458 -18.057 4.268 0.188 1.00 0.00 O ATOM 264 CB THR A 458 -19.740 6.964 0.968 1.00 0.00 C ATOM 265 OG1 THR A 458 -18.614 7.475 0.258 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.223 7.989 1.994 1.00 0.00 C ATOM 0 H THR A 458 -17.396 6.226 1.709 1.00 0.00 H new ATOM 0 HA THR A 458 -20.124 5.299 2.348 1.00 0.00 H new ATOM 0 HB THR A 458 -20.554 6.772 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 458 -18.859 8.315 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.489 8.915 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.096 7.598 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.428 8.186 2.714 1.00 0.00 H new ATOM 274 N CYS A 459 -20.278 3.960 0.117 1.00 0.00 N ATOM 275 CA CYS A 459 -20.260 2.898 -0.891 1.00 0.00 C ATOM 276 C CYS A 459 -19.767 3.323 -2.286 1.00 0.00 C ATOM 277 O CYS A 459 -20.060 2.645 -3.276 1.00 0.00 O ATOM 278 CB CYS A 459 -21.610 2.178 -0.958 1.00 0.00 C ATOM 279 SG CYS A 459 -22.149 1.331 0.553 1.00 0.00 S ATOM 0 H CYS A 459 -21.220 4.214 0.416 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.502 2.196 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.373 2.907 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.567 1.445 -1.763 1.00 0.00 H new ATOM 284 N GLU A 460 -19.149 4.491 -2.433 1.00 0.00 N ATOM 285 CA GLU A 460 -18.580 4.934 -3.699 1.00 0.00 C ATOM 286 C GLU A 460 -17.217 4.234 -3.791 1.00 0.00 C ATOM 287 O GLU A 460 -16.807 3.492 -2.887 1.00 0.00 O ATOM 288 CB GLU A 460 -18.371 6.453 -3.701 1.00 0.00 C ATOM 289 CG GLU A 460 -19.642 7.229 -4.039 1.00 0.00 C ATOM 290 CD GLU A 460 -19.438 8.731 -3.830 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.479 9.315 -4.389 1.00 0.00 O ATOM 292 OE2 GLU A 460 -20.254 9.321 -3.086 1.00 0.00 O ATOM 0 H GLU A 460 -19.029 5.160 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.236 4.695 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.010 6.766 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.594 6.707 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -19.925 7.037 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.463 6.879 -3.414 1.00 0.00 H new ATOM 299 N LYS A 461 -16.518 4.365 -4.915 1.00 0.00 N ATOM 300 CA LYS A 461 -15.204 3.764 -5.044 1.00 0.00 C ATOM 301 C LYS A 461 -14.243 4.746 -4.420 1.00 0.00 C ATOM 302 O LYS A 461 -14.170 5.908 -4.815 1.00 0.00 O ATOM 303 CB LYS A 461 -14.866 3.522 -6.511 1.00 0.00 C ATOM 304 CG LYS A 461 -15.648 2.305 -7.005 1.00 0.00 C ATOM 305 CD LYS A 461 -15.060 0.956 -6.573 1.00 0.00 C ATOM 306 CE LYS A 461 -15.889 -0.201 -7.146 1.00 0.00 C ATOM 307 NZ LYS A 461 -17.252 -0.319 -6.583 1.00 0.00 N ATOM 0 H LYS A 461 -16.838 4.876 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.153 2.793 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.119 4.400 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.795 3.355 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.673 2.374 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.694 2.335 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.028 0.876 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.040 0.893 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.966 -0.076 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.355 -1.135 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -17.834 -0.917 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -17.201 -0.749 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -17.681 0.626 -6.511 1.00 0.00 H new ATOM 321 N GLY A 462 -13.534 4.266 -3.418 1.00 0.00 N ATOM 322 CA GLY A 462 -12.559 5.012 -2.662 1.00 0.00 C ATOM 323 C GLY A 462 -11.202 4.356 -2.753 1.00 0.00 C ATOM 324 O GLY A 462 -10.967 3.498 -3.605 1.00 0.00 O ATOM 0 H GLY A 462 -13.629 3.302 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.502 6.033 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.870 5.075 -1.619 1.00 0.00 H new ATOM 328 N LYS A 463 -10.295 4.770 -1.879 1.00 0.00 N ATOM 329 CA LYS A 463 -8.925 4.272 -1.781 1.00 0.00 C ATOM 330 C LYS A 463 -8.564 4.004 -0.325 1.00 0.00 C ATOM 331 O LYS A 463 -9.314 4.365 0.576 1.00 0.00 O ATOM 332 CB LYS A 463 -7.935 5.323 -2.346 1.00 0.00 C ATOM 333 CG LYS A 463 -7.855 5.433 -3.870 1.00 0.00 C ATOM 334 CD LYS A 463 -6.952 4.352 -4.488 1.00 0.00 C ATOM 335 CE LYS A 463 -6.392 4.769 -5.854 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.418 5.048 -6.881 1.00 0.00 N ATOM 0 H LYS A 463 -10.500 5.492 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.857 3.348 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -8.209 6.300 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.939 5.092 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.857 5.350 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.476 6.418 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.126 4.141 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -7.519 3.428 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.776 5.659 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -5.736 3.979 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -6.954 5.322 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -7.992 4.195 -7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -8.031 5.823 -6.558 1.00 0.00 H new ATOM 350 N ARG A 464 -7.398 3.409 -0.109 1.00 0.00 N ATOM 351 CA ARG A 464 -6.784 3.084 1.176 1.00 0.00 C ATOM 352 C ARG A 464 -5.362 3.633 1.193 1.00 0.00 C ATOM 353 O ARG A 464 -4.850 3.952 0.119 1.00 0.00 O ATOM 354 CB ARG A 464 -6.682 1.581 1.355 1.00 0.00 C ATOM 355 CG ARG A 464 -7.960 0.867 0.978 1.00 0.00 C ATOM 356 CD ARG A 464 -7.959 -0.477 1.660 1.00 0.00 C ATOM 357 NE ARG A 464 -8.880 -1.442 1.047 1.00 0.00 N ATOM 358 CZ ARG A 464 -9.758 -2.223 1.692 1.00 0.00 C ATOM 359 NH1 ARG A 464 -9.938 -2.119 3.005 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.463 -3.115 1.011 1.00 0.00 N ATOM 0 H ARG A 464 -6.809 3.117 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.396 3.515 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.863 1.200 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.437 1.357 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.828 1.450 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.025 0.746 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -6.949 -0.886 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.228 -0.345 2.708 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.849 -1.526 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.403 -1.435 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -10.611 -2.723 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.336 -3.204 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -11.133 -3.713 1.495 1.00 0.00 H new ATOM 374 N MET A 465 -4.686 3.645 2.348 1.00 0.00 N ATOM 375 CA MET A 465 -3.311 4.125 2.481 1.00 0.00 C ATOM 376 C MET A 465 -2.517 3.182 3.397 1.00 0.00 C ATOM 377 O MET A 465 -3.051 2.677 4.394 1.00 0.00 O ATOM 378 CB MET A 465 -3.363 5.556 3.046 1.00 0.00 C ATOM 379 CG MET A 465 -1.987 6.191 3.257 1.00 0.00 C ATOM 380 SD MET A 465 -2.060 7.872 3.930 1.00 0.00 S ATOM 381 CE MET A 465 -0.305 8.308 3.828 1.00 0.00 C ATOM 0 H MET A 465 -5.087 3.317 3.227 1.00 0.00 H new ATOM 0 HA MET A 465 -2.805 4.139 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.941 6.183 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.895 5.541 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.406 5.563 3.932 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.456 6.212 2.305 1.00 0.00 H new ATOM 0 HE1 MET A 465 -0.159 9.321 4.204 1.00 0.00 H new ATOM 0 HE2 MET A 465 0.279 7.610 4.429 1.00 0.00 H new ATOM 0 HE3 MET A 465 0.023 8.256 2.790 1.00 0.00 H new ATOM 391 N ARG A 466 -1.261 2.872 3.057 1.00 0.00 N ATOM 392 CA ARG A 466 -0.395 2.023 3.876 1.00 0.00 C ATOM 393 C ARG A 466 1.052 2.364 3.585 1.00 0.00 C ATOM 394 O ARG A 466 1.388 2.845 2.499 1.00 0.00 O ATOM 395 CB ARG A 466 -0.645 0.515 3.672 1.00 0.00 C ATOM 396 CG ARG A 466 -0.154 -0.009 2.318 1.00 0.00 C ATOM 397 CD ARG A 466 -0.447 -1.502 2.211 1.00 0.00 C ATOM 398 NE ARG A 466 -0.059 -2.043 0.902 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.055 -3.332 0.556 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.354 -4.276 1.440 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.238 -3.660 -0.692 1.00 0.00 N ATOM 0 H ARG A 466 -0.817 3.206 2.202 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.633 2.227 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.148 -0.039 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.713 0.316 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.648 0.528 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.916 0.170 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.088 -2.034 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.510 -1.676 2.375 1.00 0.00 H new ATOM 0 HE ARG A 466 0.234 -1.372 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.591 -4.020 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.347 -5.257 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.456 -2.932 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.246 -4.640 -0.973 1.00 0.00 H new ATOM 415 N GLN A 467 1.914 2.055 4.538 1.00 0.00 N ATOM 416 CA GLN A 467 3.340 2.268 4.444 1.00 0.00 C ATOM 417 C GLN A 467 4.028 1.110 5.162 1.00 0.00 C ATOM 418 O GLN A 467 3.413 0.337 5.903 1.00 0.00 O ATOM 419 CB GLN A 467 3.753 3.665 4.980 1.00 0.00 C ATOM 420 CG GLN A 467 3.172 3.994 6.366 1.00 0.00 C ATOM 421 CD GLN A 467 3.620 5.327 6.966 1.00 0.00 C ATOM 422 OE1 GLN A 467 4.230 6.186 6.326 1.00 0.00 O ATOM 423 NE2 GLN A 467 3.298 5.563 8.231 1.00 0.00 N ATOM 0 H GLN A 467 1.628 1.637 5.423 1.00 0.00 H new ATOM 0 HA GLN A 467 3.660 2.275 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.841 3.718 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.429 4.426 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.084 3.995 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.446 3.195 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 467 2.793 4.858 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 467 3.555 6.449 8.666 1.00 0.00 H new ATOM 432 N ARG A 468 5.310 0.955 4.894 1.00 0.00 N ATOM 433 CA ARG A 468 6.215 -0.037 5.479 1.00 0.00 C ATOM 434 C ARG A 468 7.538 0.673 5.729 1.00 0.00 C ATOM 435 O ARG A 468 7.591 1.899 5.608 1.00 0.00 O ATOM 436 CB ARG A 468 6.322 -1.327 4.649 1.00 0.00 C ATOM 437 CG ARG A 468 6.848 -1.161 3.223 1.00 0.00 C ATOM 438 CD ARG A 468 6.807 -2.516 2.495 1.00 0.00 C ATOM 439 NE ARG A 468 6.642 -2.398 1.040 1.00 0.00 N ATOM 440 CZ ARG A 468 7.318 -1.686 0.140 1.00 0.00 C ATOM 441 NH1 ARG A 468 8.358 -0.957 0.499 1.00 0.00 N ATOM 442 NH2 ARG A 468 6.947 -1.685 -1.131 1.00 0.00 N ATOM 0 H ARG A 468 5.786 1.554 4.219 1.00 0.00 H new ATOM 0 HA ARG A 468 5.823 -0.409 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.973 -2.023 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.335 -1.788 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.245 -0.430 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.869 -0.779 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.728 -3.060 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.987 -3.111 2.898 1.00 0.00 H new ATOM 0 HE ARG A 468 5.881 -2.956 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 468 8.652 -0.934 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 468 8.867 -0.416 -0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 468 6.138 -2.232 -1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.470 -1.137 -1.814 1.00 0.00 H new ATOM 456 N MET A 469 8.594 -0.046 6.083 1.00 0.00 N ATOM 457 CA MET A 469 9.888 0.560 6.350 1.00 0.00 C ATOM 458 C MET A 469 10.971 -0.281 5.688 1.00 0.00 C ATOM 459 O MET A 469 10.804 -1.489 5.498 1.00 0.00 O ATOM 460 CB MET A 469 10.032 0.702 7.870 1.00 0.00 C ATOM 461 CG MET A 469 11.020 1.786 8.293 1.00 0.00 C ATOM 462 SD MET A 469 10.875 2.203 10.050 1.00 0.00 S ATOM 463 CE MET A 469 12.270 3.346 10.175 1.00 0.00 C ATOM 0 H MET A 469 8.577 -1.060 6.192 1.00 0.00 H new ATOM 0 HA MET A 469 9.985 1.559 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.055 0.925 8.300 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.353 -0.253 8.287 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.036 1.450 8.085 1.00 0.00 H new ATOM 0 HG3 MET A 469 10.851 2.681 7.695 1.00 0.00 H new ATOM 0 HE1 MET A 469 12.347 3.716 11.197 1.00 0.00 H new ATOM 0 HE2 MET A 469 13.190 2.827 9.907 1.00 0.00 H new ATOM 0 HE3 MET A 469 12.115 4.185 9.496 1.00 0.00 H new ATOM 473 N LEU A 470 12.056 0.363 5.271 1.00 0.00 N ATOM 474 CA LEU A 470 13.195 -0.256 4.615 1.00 0.00 C ATOM 475 C LEU A 470 14.075 -0.926 5.669 1.00 0.00 C ATOM 476 O LEU A 470 14.600 -0.266 6.568 1.00 0.00 O ATOM 477 CB LEU A 470 13.929 0.827 3.807 1.00 0.00 C ATOM 478 CG LEU A 470 15.099 0.376 2.913 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.350 -0.018 3.689 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.724 -0.761 1.963 1.00 0.00 C ATOM 0 H LEU A 470 12.167 1.370 5.387 1.00 0.00 H new ATOM 0 HA LEU A 470 12.891 -1.038 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.197 1.329 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.308 1.571 4.508 1.00 0.00 H new ATOM 0 HG LEU A 470 15.330 1.265 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 470 17.130 -0.324 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.699 0.834 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 470 16.117 -0.846 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.591 -1.033 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.398 -1.626 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.915 -0.436 1.309 1.00 0.00 H new ATOM 492 N LYS A 471 14.184 -2.256 5.611 1.00 0.00 N ATOM 493 CA LYS A 471 15.007 -3.032 6.533 1.00 0.00 C ATOM 494 C LYS A 471 16.452 -2.945 6.048 1.00 0.00 C ATOM 495 O LYS A 471 17.314 -2.510 6.812 1.00 0.00 O ATOM 496 CB LYS A 471 14.552 -4.494 6.578 1.00 0.00 C ATOM 497 CG LYS A 471 13.249 -4.752 7.342 1.00 0.00 C ATOM 498 CD LYS A 471 12.925 -6.254 7.436 1.00 0.00 C ATOM 499 CE LYS A 471 13.144 -6.969 6.093 1.00 0.00 C ATOM 500 NZ LYS A 471 12.878 -8.410 6.152 1.00 0.00 N ATOM 0 H LYS A 471 13.699 -2.825 4.917 1.00 0.00 H new ATOM 0 HA LYS A 471 14.913 -2.631 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.431 -4.851 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.344 -5.090 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.328 -4.334 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.429 -4.234 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.552 -6.714 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.890 -6.384 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 471 12.498 -6.518 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 471 14.172 -6.809 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.044 -8.832 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.512 -8.852 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.890 -8.569 6.433 1.00 0.00 H new ATOM 514 N ALA A 472 16.728 -3.362 4.809 1.00 0.00 N ATOM 515 CA ALA A 472 18.052 -3.330 4.204 1.00 0.00 C ATOM 516 C ALA A 472 17.938 -2.958 2.728 1.00 0.00 C ATOM 517 O ALA A 472 16.857 -3.044 2.150 1.00 0.00 O ATOM 518 CB ALA A 472 18.701 -4.709 4.353 1.00 0.00 C ATOM 0 H ALA A 472 16.014 -3.740 4.187 1.00 0.00 H new ATOM 0 HA ALA A 472 18.669 -2.583 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.693 -4.695 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.786 -4.959 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.086 -5.457 3.852 1.00 0.00 H new ATOM 524 N GLN A 473 19.034 -2.532 2.109 1.00 0.00 N ATOM 525 CA GLN A 473 19.089 -2.159 0.699 1.00 0.00 C ATOM 526 C GLN A 473 20.369 -2.761 0.139 1.00 0.00 C ATOM 527 O GLN A 473 21.390 -2.825 0.830 1.00 0.00 O ATOM 528 CB GLN A 473 18.948 -0.638 0.507 1.00 0.00 C ATOM 529 CG GLN A 473 20.082 0.199 1.104 1.00 0.00 C ATOM 530 CD GLN A 473 19.635 1.651 1.226 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.102 2.049 2.261 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.749 2.456 0.187 1.00 0.00 N ATOM 0 H GLN A 473 19.931 -2.434 2.585 1.00 0.00 H new ATOM 0 HA GLN A 473 18.244 -2.558 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.884 -0.426 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 473 18.007 -0.317 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.358 -0.191 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.968 0.132 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 473 20.191 2.123 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.395 3.411 0.241 1.00 0.00 H new ATOM 541 N LEU A 474 20.289 -3.286 -1.076 1.00 0.00 N ATOM 542 CA LEU A 474 21.409 -3.920 -1.762 1.00 0.00 C ATOM 543 C LEU A 474 22.297 -2.860 -2.416 1.00 0.00 C ATOM 544 O LEU A 474 23.378 -3.187 -2.907 1.00 0.00 O ATOM 545 CB LEU A 474 20.876 -4.856 -2.853 1.00 0.00 C ATOM 546 CG LEU A 474 20.047 -6.099 -2.451 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.931 -7.175 -1.853 1.00 0.00 C ATOM 548 CD2 LEU A 474 18.886 -5.922 -1.459 1.00 0.00 C ATOM 0 H LEU A 474 19.428 -3.284 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 474 21.992 -4.483 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.262 -4.257 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.732 -5.207 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 474 19.599 -6.356 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 474 20.322 -8.036 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 474 21.681 -7.478 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 474 21.428 -6.786 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 474 18.408 -6.886 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.269 -5.529 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 474 18.157 -5.226 -1.873 1.00 0.00 H new ATOM 560 N ASP A 475 21.835 -1.613 -2.458 1.00 0.00 N ATOM 561 CA ASP A 475 22.515 -0.462 -3.019 1.00 0.00 C ATOM 562 C ASP A 475 22.287 0.674 -2.044 1.00 0.00 C ATOM 563 O ASP A 475 21.155 1.112 -1.864 1.00 0.00 O ATOM 564 CB ASP A 475 21.974 -0.121 -4.418 1.00 0.00 C ATOM 565 CG ASP A 475 22.864 -0.702 -5.505 1.00 0.00 C ATOM 566 OD1 ASP A 475 24.083 -0.411 -5.508 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.361 -1.499 -6.336 1.00 0.00 O ATOM 0 H ASP A 475 20.920 -1.371 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 475 23.579 -0.657 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 475 20.962 -0.511 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.912 0.961 -4.534 1.00 0.00 H new ATOM 572 N LEU A 476 23.331 1.084 -1.326 1.00 0.00 N ATOM 573 CA LEU A 476 23.246 2.173 -0.358 1.00 0.00 C ATOM 574 C LEU A 476 23.148 3.518 -1.084 1.00 0.00 C ATOM 575 O LEU A 476 22.506 4.438 -0.576 1.00 0.00 O ATOM 576 CB LEU A 476 24.470 2.164 0.576 1.00 0.00 C ATOM 577 CG LEU A 476 24.465 1.129 1.723 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.423 1.475 2.789 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.271 -0.327 1.281 1.00 0.00 C ATOM 0 H LEU A 476 24.260 0.669 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 476 22.349 2.030 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.359 1.994 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.569 3.157 1.015 1.00 0.00 H new ATOM 0 HG LEU A 476 25.470 1.195 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.448 0.725 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.646 2.455 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.431 1.492 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 476 24.282 -0.977 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.315 -0.427 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 476 25.078 -0.613 0.606 1.00 0.00 H new ATOM 591 N SER A 477 23.739 3.623 -2.278 1.00 0.00 N ATOM 592 CA SER A 477 23.750 4.827 -3.095 1.00 0.00 C ATOM 593 C SER A 477 22.409 5.128 -3.759 1.00 0.00 C ATOM 594 O SER A 477 22.263 6.178 -4.389 1.00 0.00 O ATOM 595 CB SER A 477 24.858 4.677 -4.142 1.00 0.00 C ATOM 596 OG SER A 477 25.096 5.885 -4.837 1.00 0.00 O ATOM 0 H SER A 477 24.237 2.845 -2.711 1.00 0.00 H new ATOM 0 HA SER A 477 23.941 5.679 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.777 4.352 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.582 3.898 -4.853 1.00 0.00 H new ATOM 0 HG SER A 477 24.251 6.368 -4.953 1.00 0.00 H new ATOM 602 N VAL A 478 21.428 4.241 -3.666 1.00 0.00 N ATOM 603 CA VAL A 478 20.131 4.454 -4.275 1.00 0.00 C ATOM 604 C VAL A 478 19.107 4.037 -3.228 1.00 0.00 C ATOM 605 O VAL A 478 19.092 2.867 -2.841 1.00 0.00 O ATOM 606 CB VAL A 478 20.061 3.682 -5.597 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.659 3.782 -6.213 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.077 4.251 -6.602 1.00 0.00 C ATOM 0 H VAL A 478 21.513 3.356 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 478 19.932 5.490 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 478 20.292 2.638 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.633 3.227 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.927 3.363 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.419 4.828 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.016 3.693 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.853 5.301 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.083 4.163 -6.192 1.00 0.00 H new ATOM 618 N PRO A 479 18.298 4.974 -2.712 1.00 0.00 N ATOM 619 CA PRO A 479 17.318 4.652 -1.702 1.00 0.00 C ATOM 620 C PRO A 479 16.203 3.777 -2.253 1.00 0.00 C ATOM 621 O PRO A 479 16.055 3.543 -3.457 1.00 0.00 O ATOM 622 CB PRO A 479 16.775 6.001 -1.216 1.00 0.00 C ATOM 623 CG PRO A 479 16.914 6.892 -2.447 1.00 0.00 C ATOM 624 CD PRO A 479 18.207 6.381 -3.075 1.00 0.00 C ATOM 0 HA PRO A 479 17.763 4.077 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.738 5.924 -0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.348 6.386 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.065 6.787 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 479 16.981 7.947 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.191 6.505 -4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.068 6.937 -2.703 1.00 0.00 H new ATOM 632 N CYS A 480 15.367 3.365 -1.312 1.00 0.00 N ATOM 633 CA CYS A 480 14.221 2.522 -1.535 1.00 0.00 C ATOM 634 C CYS A 480 12.951 3.281 -1.112 1.00 0.00 C ATOM 635 O CYS A 480 12.383 3.012 -0.051 1.00 0.00 O ATOM 636 CB CYS A 480 14.511 1.241 -0.761 1.00 0.00 C ATOM 637 SG CYS A 480 15.986 0.330 -1.290 1.00 0.00 S ATOM 0 H CYS A 480 15.481 3.625 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 480 14.042 2.257 -2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.618 1.491 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.647 0.582 -0.846 1.00 0.00 H new ATOM 642 N PRO A 481 12.489 4.250 -1.919 1.00 0.00 N ATOM 643 CA PRO A 481 11.303 5.072 -1.664 1.00 0.00 C ATOM 644 C PRO A 481 9.949 4.355 -1.802 1.00 0.00 C ATOM 645 O PRO A 481 8.919 4.966 -1.517 1.00 0.00 O ATOM 646 CB PRO A 481 11.387 6.181 -2.723 1.00 0.00 C ATOM 647 CG PRO A 481 12.035 5.452 -3.897 1.00 0.00 C ATOM 648 CD PRO A 481 13.097 4.652 -3.178 1.00 0.00 C ATOM 0 HA PRO A 481 11.321 5.404 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.404 6.575 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.989 7.024 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.328 4.816 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.459 6.140 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.399 3.784 -3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.993 5.250 -3.009 1.00 0.00 H new ATOM 656 N ASP A 482 9.873 3.093 -2.233 1.00 0.00 N ATOM 657 CA ASP A 482 8.590 2.385 -2.404 1.00 0.00 C ATOM 658 C ASP A 482 7.919 1.966 -1.092 1.00 0.00 C ATOM 659 O ASP A 482 7.088 1.068 -1.083 1.00 0.00 O ATOM 660 CB ASP A 482 8.754 1.182 -3.358 1.00 0.00 C ATOM 661 CG ASP A 482 8.727 1.569 -4.833 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.064 2.574 -5.187 1.00 0.00 O ATOM 663 OD2 ASP A 482 9.278 0.817 -5.672 1.00 0.00 O ATOM 0 H ASP A 482 10.690 2.532 -2.473 1.00 0.00 H new ATOM 0 HA ASP A 482 7.910 3.109 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.697 0.680 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.958 0.463 -3.164 1.00 0.00 H new ATOM 668 N THR A 483 8.277 2.537 0.049 1.00 0.00 N ATOM 669 CA THR A 483 7.741 2.243 1.377 1.00 0.00 C ATOM 670 C THR A 483 6.294 2.683 1.586 1.00 0.00 C ATOM 671 O THR A 483 5.827 2.649 2.721 1.00 0.00 O ATOM 672 CB THR A 483 8.699 2.876 2.407 1.00 0.00 C ATOM 673 OG1 THR A 483 9.173 4.122 1.938 1.00 0.00 O ATOM 674 CG2 THR A 483 9.912 1.965 2.582 1.00 0.00 C ATOM 0 H THR A 483 8.993 3.263 0.078 1.00 0.00 H new ATOM 0 HA THR A 483 7.693 1.161 1.502 1.00 0.00 H new ATOM 0 HB THR A 483 8.160 3.009 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.778 4.513 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.595 2.404 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.585 0.988 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.423 1.852 1.626 1.00 0.00 H new ATOM 682 N GLN A 484 5.566 3.049 0.535 1.00 0.00 N ATOM 683 CA GLN A 484 4.186 3.494 0.581 1.00 0.00 C ATOM 684 C GLN A 484 3.390 2.863 -0.553 1.00 0.00 C ATOM 685 O GLN A 484 3.955 2.519 -1.594 1.00 0.00 O ATOM 686 CB GLN A 484 4.136 5.025 0.516 1.00 0.00 C ATOM 687 CG GLN A 484 5.103 5.648 -0.511 1.00 0.00 C ATOM 688 CD GLN A 484 5.007 7.164 -0.558 1.00 0.00 C ATOM 689 OE1 GLN A 484 5.019 7.776 -1.626 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.958 7.813 0.594 1.00 0.00 N ATOM 0 H GLN A 484 5.944 3.041 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 484 3.732 3.176 1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 484 3.119 5.334 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.365 5.427 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 484 6.125 5.360 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.888 5.243 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.949 7.294 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.930 8.833 0.604 1.00 0.00 H new ATOM 699 N ASP A 485 2.086 2.714 -0.330 1.00 0.00 N ATOM 700 CA ASP A 485 1.161 2.136 -1.304 1.00 0.00 C ATOM 701 C ASP A 485 -0.284 2.570 -1.048 1.00 0.00 C ATOM 702 O ASP A 485 -0.638 2.939 0.075 1.00 0.00 O ATOM 703 CB ASP A 485 1.270 0.618 -1.206 1.00 0.00 C ATOM 704 CG ASP A 485 0.533 -0.130 -2.300 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.379 0.385 -3.423 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.126 -1.282 -2.043 1.00 0.00 O ATOM 0 H ASP A 485 1.636 2.994 0.542 1.00 0.00 H new ATOM 0 HA ASP A 485 1.428 2.487 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.323 0.338 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.882 0.299 -0.239 1.00 0.00 H new ATOM 711 N PHE A 486 -1.129 2.516 -2.085 1.00 0.00 N ATOM 712 CA PHE A 486 -2.543 2.875 -2.071 1.00 0.00 C ATOM 713 C PHE A 486 -3.294 1.927 -3.006 1.00 0.00 C ATOM 714 O PHE A 486 -2.804 1.607 -4.085 1.00 0.00 O ATOM 715 CB PHE A 486 -2.757 4.314 -2.566 1.00 0.00 C ATOM 716 CG PHE A 486 -2.211 5.416 -1.676 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.830 5.689 -1.613 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.102 6.207 -0.932 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.342 6.695 -0.763 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.623 7.232 -0.098 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.240 7.463 -0.001 1.00 0.00 C ATOM 0 H PHE A 486 -0.822 2.202 -3.006 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.910 2.799 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.299 4.410 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.827 4.476 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.142 5.121 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.164 6.026 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.720 6.878 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.315 7.840 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.867 8.231 0.660 1.00 0.00 H new ATOM 731 N GLN A 487 -4.479 1.462 -2.612 1.00 0.00 N ATOM 732 CA GLN A 487 -5.310 0.564 -3.416 1.00 0.00 C ATOM 733 C GLN A 487 -6.778 0.970 -3.293 1.00 0.00 C ATOM 734 O GLN A 487 -7.121 1.714 -2.371 1.00 0.00 O ATOM 735 CB GLN A 487 -5.137 -0.905 -2.976 1.00 0.00 C ATOM 736 CG GLN A 487 -4.373 -1.753 -4.004 1.00 0.00 C ATOM 737 CD GLN A 487 -2.924 -1.987 -3.623 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.609 -3.009 -3.015 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.034 -1.077 -3.969 1.00 0.00 N ATOM 0 H GLN A 487 -4.896 1.702 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.991 0.647 -4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.607 -0.933 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.119 -1.346 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.873 -2.715 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.412 -1.259 -4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.329 -0.241 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.051 -1.210 -3.733 1.00 0.00 H new ATOM 748 N PRO A 488 -7.659 0.481 -4.183 1.00 0.00 N ATOM 749 CA PRO A 488 -9.075 0.799 -4.153 1.00 0.00 C ATOM 750 C PRO A 488 -9.786 0.161 -2.961 1.00 0.00 C ATOM 751 O PRO A 488 -9.412 -0.916 -2.490 1.00 0.00 O ATOM 752 CB PRO A 488 -9.647 0.254 -5.467 1.00 0.00 C ATOM 753 CG PRO A 488 -8.713 -0.890 -5.822 1.00 0.00 C ATOM 754 CD PRO A 488 -7.369 -0.390 -5.314 1.00 0.00 C ATOM 0 HA PRO A 488 -9.223 1.874 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.674 -0.091 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.659 1.017 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.009 -1.820 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.695 -1.081 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.734 -1.222 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.835 0.151 -6.095 1.00 0.00 H new ATOM 762 N CYS A 489 -10.829 0.837 -2.488 1.00 0.00 N ATOM 763 CA CYS A 489 -11.690 0.427 -1.388 1.00 0.00 C ATOM 764 C CYS A 489 -13.109 0.902 -1.672 1.00 0.00 C ATOM 765 O CYS A 489 -13.384 1.550 -2.686 1.00 0.00 O ATOM 766 CB CYS A 489 -11.174 1.009 -0.069 1.00 0.00 C ATOM 767 SG CYS A 489 -11.960 0.418 1.466 1.00 0.00 S ATOM 0 H CYS A 489 -11.110 1.734 -2.885 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.686 -0.659 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -10.106 0.802 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.286 2.092 -0.111 1.00 0.00 H new ATOM 772 N MET A 490 -14.023 0.540 -0.784 1.00 0.00 N ATOM 773 CA MET A 490 -15.433 0.868 -0.784 1.00 0.00 C ATOM 774 C MET A 490 -15.782 1.101 0.691 1.00 0.00 C ATOM 775 O MET A 490 -15.069 0.610 1.571 1.00 0.00 O ATOM 776 CB MET A 490 -16.236 -0.291 -1.402 1.00 0.00 C ATOM 777 CG MET A 490 -15.803 -0.572 -2.852 1.00 0.00 C ATOM 778 SD MET A 490 -16.589 -1.949 -3.733 1.00 0.00 S ATOM 779 CE MET A 490 -18.318 -1.775 -3.247 1.00 0.00 C ATOM 0 H MET A 490 -13.773 -0.038 0.019 1.00 0.00 H new ATOM 0 HA MET A 490 -15.672 1.749 -1.380 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.100 -1.190 -0.801 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.299 -0.050 -1.379 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.975 0.335 -3.432 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.728 -0.750 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.915 -2.537 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.406 -1.895 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.679 -0.787 -3.533 1.00 0.00 H new ATOM 789 N GLY A 491 -16.861 1.826 0.965 1.00 0.00 N ATOM 790 CA GLY A 491 -17.326 2.129 2.325 1.00 0.00 C ATOM 791 C GLY A 491 -17.538 0.898 3.227 1.00 0.00 C ATOM 792 O GLY A 491 -17.445 -0.239 2.763 1.00 0.00 O ATOM 0 H GLY A 491 -17.452 2.230 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.603 2.790 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -18.265 2.679 2.258 1.00 0.00 H new ATOM 796 N PRO A 492 -17.843 1.096 4.522 1.00 0.00 N ATOM 797 CA PRO A 492 -18.047 0.008 5.468 1.00 0.00 C ATOM 798 C PRO A 492 -19.224 -0.851 5.031 1.00 0.00 C ATOM 799 O PRO A 492 -20.313 -0.341 4.756 1.00 0.00 O ATOM 800 CB PRO A 492 -18.269 0.648 6.841 1.00 0.00 C ATOM 801 CG PRO A 492 -18.717 2.066 6.507 1.00 0.00 C ATOM 802 CD PRO A 492 -18.008 2.373 5.188 1.00 0.00 C ATOM 0 HA PRO A 492 -17.185 -0.657 5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -19.026 0.113 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -17.356 0.646 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.800 2.129 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -18.431 2.770 7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -18.596 3.059 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -17.044 2.850 5.364 1.00 0.00 H new ATOM 810 N GLY A 493 -18.994 -2.159 4.977 1.00 0.00 N ATOM 811 CA GLY A 493 -19.970 -3.160 4.577 1.00 0.00 C ATOM 812 C GLY A 493 -20.183 -3.202 3.063 1.00 0.00 C ATOM 813 O GLY A 493 -20.709 -4.188 2.548 1.00 0.00 O ATOM 0 H GLY A 493 -18.089 -2.563 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -19.641 -4.141 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -20.921 -2.952 5.068 1.00 0.00 H new ATOM 817 N CYS A 494 -19.790 -2.169 2.323 1.00 0.00 N ATOM 818 CA CYS A 494 -19.947 -2.136 0.883 1.00 0.00 C ATOM 819 C CYS A 494 -18.849 -3.017 0.274 1.00 0.00 C ATOM 820 O CYS A 494 -17.714 -2.985 0.760 1.00 0.00 O ATOM 821 CB CYS A 494 -19.787 -0.691 0.388 1.00 0.00 C ATOM 822 SG CYS A 494 -20.451 0.638 1.442 1.00 0.00 S ATOM 0 H CYS A 494 -19.354 -1.333 2.711 1.00 0.00 H new ATOM 0 HA CYS A 494 -20.932 -2.501 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.724 -0.502 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -20.264 -0.615 -0.589 1.00 0.00 H new ATOM 827 N SER A 495 -19.145 -3.815 -0.753 1.00 0.00 N ATOM 828 CA SER A 495 -18.139 -4.651 -1.407 1.00 0.00 C ATOM 829 C SER A 495 -18.568 -4.914 -2.845 1.00 0.00 C ATOM 830 O SER A 495 -19.752 -4.815 -3.173 1.00 0.00 O ATOM 831 CB SER A 495 -17.900 -5.927 -0.609 1.00 0.00 C ATOM 832 OG SER A 495 -16.702 -6.588 -0.983 1.00 0.00 O ATOM 0 H SER A 495 -20.080 -3.900 -1.151 1.00 0.00 H new ATOM 0 HA SER A 495 -17.180 -4.134 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 495 -17.861 -5.685 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 495 -18.743 -6.603 -0.751 1.00 0.00 H new ATOM 0 HG SER A 495 -16.593 -7.398 -0.442 1.00 0.00 H new ATOM 838 N ASP A 496 -17.601 -5.244 -3.696 1.00 0.00 N ATOM 839 CA ASP A 496 -17.739 -5.509 -5.126 1.00 0.00 C ATOM 840 C ASP A 496 -18.440 -6.812 -5.520 1.00 0.00 C ATOM 841 O ASP A 496 -18.118 -7.413 -6.545 1.00 0.00 O ATOM 842 CB ASP A 496 -16.399 -5.305 -5.844 1.00 0.00 C ATOM 843 CG ASP A 496 -15.380 -6.436 -5.696 1.00 0.00 C ATOM 844 OD1 ASP A 496 -15.451 -7.283 -4.769 1.00 0.00 O ATOM 845 OD2 ASP A 496 -14.400 -6.400 -6.467 1.00 0.00 O ATOM 0 H ASP A 496 -16.635 -5.340 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 496 -18.450 -4.762 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -16.597 -5.158 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -15.947 -4.385 -5.473 1.00 0.00 H new ATOM 850 N GLU A 497 -19.405 -7.239 -4.711 1.00 0.00 N ATOM 851 CA GLU A 497 -20.210 -8.427 -4.945 1.00 0.00 C ATOM 852 C GLU A 497 -20.924 -8.242 -6.285 1.00 0.00 C ATOM 853 O GLU A 497 -20.928 -9.132 -7.132 1.00 0.00 O ATOM 854 CB GLU A 497 -21.245 -8.526 -3.812 1.00 0.00 C ATOM 855 CG GLU A 497 -22.232 -9.698 -3.970 1.00 0.00 C ATOM 856 CD GLU A 497 -21.630 -11.037 -3.552 1.00 0.00 C ATOM 857 OE1 GLU A 497 -20.927 -11.091 -2.510 1.00 0.00 O ATOM 858 OE2 GLU A 497 -21.914 -12.063 -4.209 1.00 0.00 O ATOM 0 H GLU A 497 -19.653 -6.752 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 497 -19.603 -9.332 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -20.721 -8.631 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -21.808 -7.594 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -23.121 -9.502 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -22.555 -9.758 -5.009 1.00 0.00 H new ATOM 865 N ASP A 498 -21.504 -7.051 -6.466 1.00 0.00 N ATOM 866 CA ASP A 498 -22.273 -6.525 -7.591 1.00 0.00 C ATOM 867 C ASP A 498 -23.591 -7.262 -7.842 1.00 0.00 C ATOM 868 O ASP A 498 -24.531 -6.653 -8.357 1.00 0.00 O ATOM 869 CB ASP A 498 -21.413 -6.428 -8.848 1.00 0.00 C ATOM 870 CG ASP A 498 -22.170 -5.747 -9.979 1.00 0.00 C ATOM 871 OD1 ASP A 498 -22.778 -4.676 -9.766 1.00 0.00 O ATOM 872 OD2 ASP A 498 -22.076 -6.231 -11.129 1.00 0.00 O ATOM 0 H ASP A 498 -21.434 -6.347 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 498 -22.570 -5.515 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -20.503 -5.870 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -21.107 -7.426 -9.161 1.00 0.00 H new ATOM 877 N GLY A 499 -23.682 -8.531 -7.451 1.00 0.00 N ATOM 878 CA GLY A 499 -24.854 -9.359 -7.583 1.00 0.00 C ATOM 879 C GLY A 499 -25.930 -8.806 -6.681 1.00 0.00 C ATOM 880 O GLY A 499 -27.103 -8.857 -7.098 1.00 0.00 O ATOM 0 H GLY A 499 -22.901 -9.021 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -25.196 -9.371 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -24.623 -10.389 -7.311 1.00 0.00 H new TER 884 GLY A 499