USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 378 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 170:sc= 0 USER MOD Set 1.2: A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 65:sc= 0.23 USER MOD Single : A 445 TYR OH : rot -150:sc= -0.11 USER MOD Single : A 446 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 137:sc= 0.723 USER MOD Single : A 452 SER OG : rot 150:sc=-0.00787 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 459 CYS SG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 159:sc= 0.825 (180deg=0.559) USER MOD Single : A 463 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0221) USER MOD Single : A 465 MET CE :methyl 177:sc= 0 (180deg=-0.0185) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 MET CE :methyl 177:sc=-0.00992 (180deg=-0.0375) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 477 SER OG : rot -34:sc= 0.296 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 484 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 487 GLN : amide:sc= -0.0279 K(o=-0.028,f=-0.84) USER MOD Single : A 490 MET CE :methyl -169:sc= -0.107 (180deg=-0.326) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 12.851 -5.217 -6.231 1.00 0.00 N ATOM 20 CA GLU A 441 14.030 -6.048 -6.381 1.00 0.00 C ATOM 21 C GLU A 441 15.263 -5.532 -5.624 1.00 0.00 C ATOM 22 O GLU A 441 16.035 -6.345 -5.111 1.00 0.00 O ATOM 23 CB GLU A 441 14.305 -6.212 -7.887 1.00 0.00 C ATOM 24 CG GLU A 441 14.905 -4.990 -8.610 1.00 0.00 C ATOM 25 CD GLU A 441 14.026 -3.732 -8.676 1.00 0.00 C ATOM 26 OE1 GLU A 441 12.777 -3.836 -8.632 1.00 0.00 O ATOM 27 OE2 GLU A 441 14.585 -2.610 -8.693 1.00 0.00 O ATOM 0 HA GLU A 441 13.827 -7.015 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 441 14.983 -7.055 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.368 -6.474 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.840 -4.727 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 441 15.155 -5.285 -9.629 1.00 0.00 H new ATOM 34 N THR A 442 15.458 -4.212 -5.550 1.00 0.00 N ATOM 35 CA THR A 442 16.609 -3.593 -4.877 1.00 0.00 C ATOM 36 C THR A 442 16.305 -3.238 -3.425 1.00 0.00 C ATOM 37 O THR A 442 17.182 -2.809 -2.676 1.00 0.00 O ATOM 38 CB THR A 442 16.996 -2.279 -5.588 1.00 0.00 C ATOM 39 OG1 THR A 442 15.852 -1.474 -5.806 1.00 0.00 O ATOM 40 CG2 THR A 442 17.697 -2.509 -6.923 1.00 0.00 C ATOM 0 H THR A 442 14.815 -3.534 -5.959 1.00 0.00 H new ATOM 0 HA THR A 442 17.416 -4.325 -4.914 1.00 0.00 H new ATOM 0 HB THR A 442 17.696 -1.772 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 442 15.484 -1.188 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 442 17.944 -1.548 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 442 18.612 -3.079 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 442 17.037 -3.064 -7.590 1.00 0.00 H new ATOM 48 N CYS A 443 15.063 -3.438 -3.017 1.00 0.00 N ATOM 49 CA CYS A 443 14.568 -3.101 -1.697 1.00 0.00 C ATOM 50 C CYS A 443 13.931 -4.293 -1.015 1.00 0.00 C ATOM 51 O CYS A 443 13.099 -4.980 -1.606 1.00 0.00 O ATOM 52 CB CYS A 443 13.567 -1.966 -1.900 1.00 0.00 C ATOM 53 SG CYS A 443 14.286 -0.551 -2.776 1.00 0.00 S ATOM 0 H CYS A 443 14.350 -3.853 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 443 15.382 -2.795 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 443 12.710 -2.338 -2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.195 -1.637 -0.930 1.00 0.00 H new ATOM 58 N ILE A 444 14.300 -4.517 0.244 1.00 0.00 N ATOM 59 CA ILE A 444 13.814 -5.602 1.076 1.00 0.00 C ATOM 60 C ILE A 444 13.165 -4.916 2.263 1.00 0.00 C ATOM 61 O ILE A 444 13.845 -4.441 3.169 1.00 0.00 O ATOM 62 CB ILE A 444 14.968 -6.571 1.423 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.499 -7.311 0.172 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.567 -7.581 2.509 1.00 0.00 C ATOM 65 CD1 ILE A 444 14.468 -8.197 -0.543 1.00 0.00 C ATOM 0 H ILE A 444 14.973 -3.921 0.727 1.00 0.00 H new ATOM 0 HA ILE A 444 13.081 -6.245 0.589 1.00 0.00 H new ATOM 0 HB ILE A 444 15.774 -5.953 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 444 15.875 -6.573 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.346 -7.930 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.408 -8.241 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.288 -7.047 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.720 -8.173 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 444 14.934 -8.673 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.108 -8.963 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 444 13.630 -7.584 -0.875 1.00 0.00 H new ATOM 77 N TYR A 445 11.845 -4.800 2.231 1.00 0.00 N ATOM 78 CA TYR A 445 11.076 -4.165 3.285 1.00 0.00 C ATOM 79 C TYR A 445 10.396 -5.196 4.178 1.00 0.00 C ATOM 80 O TYR A 445 10.345 -6.390 3.874 1.00 0.00 O ATOM 81 CB TYR A 445 9.965 -3.334 2.648 1.00 0.00 C ATOM 82 CG TYR A 445 10.359 -2.144 1.807 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.539 -2.277 0.419 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.374 -0.866 2.392 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.663 -1.131 -0.380 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.530 0.278 1.606 1.00 0.00 C ATOM 87 CZ TYR A 445 10.641 0.145 0.213 1.00 0.00 C ATOM 88 OH TYR A 445 10.719 1.243 -0.563 1.00 0.00 O ATOM 0 H TYR A 445 11.274 -5.149 1.462 1.00 0.00 H new ATOM 0 HA TYR A 445 11.761 -3.559 3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.367 -3.999 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.316 -2.977 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.582 -3.258 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.264 -0.767 3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.775 -1.228 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.565 1.255 2.065 1.00 0.00 H new ATOM 0 HH TYR A 445 11.157 1.965 -0.065 1.00 0.00 H new ATOM 98 N SER A 446 9.855 -4.710 5.290 1.00 0.00 N ATOM 99 CA SER A 446 9.102 -5.503 6.244 1.00 0.00 C ATOM 100 C SER A 446 7.721 -5.766 5.626 1.00 0.00 C ATOM 101 O SER A 446 7.370 -5.203 4.578 1.00 0.00 O ATOM 102 CB SER A 446 8.912 -4.698 7.536 1.00 0.00 C ATOM 103 OG SER A 446 10.157 -4.313 8.066 1.00 0.00 O ATOM 0 H SER A 446 9.932 -3.728 5.556 1.00 0.00 H new ATOM 0 HA SER A 446 9.623 -6.433 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.307 -3.814 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.368 -5.296 8.267 1.00 0.00 H new ATOM 0 HG SER A 446 10.017 -3.799 8.889 1.00 0.00 H new ATOM 109 N ASN A 447 6.921 -6.628 6.258 1.00 0.00 N ATOM 110 CA ASN A 447 5.572 -6.906 5.773 1.00 0.00 C ATOM 111 C ASN A 447 4.797 -5.588 5.796 1.00 0.00 C ATOM 112 O ASN A 447 4.958 -4.818 6.750 1.00 0.00 O ATOM 113 CB ASN A 447 4.894 -7.944 6.664 1.00 0.00 C ATOM 114 CG ASN A 447 3.404 -8.080 6.376 1.00 0.00 C ATOM 115 OD1 ASN A 447 2.577 -7.920 7.263 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.031 -8.423 5.157 1.00 0.00 N ATOM 0 H ASN A 447 7.183 -7.141 7.100 1.00 0.00 H new ATOM 0 HA ASN A 447 5.601 -7.311 4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.377 -8.911 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.035 -7.668 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.042 -8.558 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.731 -8.553 4.427 1.00 0.00 H new ATOM 123 N TRP A 448 3.986 -5.329 4.768 1.00 0.00 N ATOM 124 CA TRP A 448 3.214 -4.098 4.663 1.00 0.00 C ATOM 125 C TRP A 448 2.435 -3.763 5.929 1.00 0.00 C ATOM 126 O TRP A 448 1.907 -4.643 6.610 1.00 0.00 O ATOM 127 CB TRP A 448 2.265 -4.138 3.461 1.00 0.00 C ATOM 128 CG TRP A 448 2.890 -3.753 2.158 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.213 -4.582 1.140 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.291 -2.419 1.733 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.753 -3.845 0.100 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.832 -2.508 0.419 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.277 -1.142 2.335 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.345 -1.391 -0.250 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.824 -0.025 1.688 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.391 -0.155 0.413 1.00 0.00 C ATOM 0 H TRP A 448 3.849 -5.970 3.987 1.00 0.00 H new ATOM 0 HA TRP A 448 3.947 -3.304 4.519 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.858 -5.145 3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.425 -3.472 3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.072 -5.653 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.054 -4.242 -0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.836 -1.023 3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.702 -1.479 -1.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.808 0.939 2.174 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.863 0.695 -0.059 1.00 0.00 H new ATOM 147 N SER A 449 2.389 -2.471 6.251 1.00 0.00 N ATOM 148 CA SER A 449 1.662 -1.978 7.404 1.00 0.00 C ATOM 149 C SER A 449 0.163 -2.148 7.114 1.00 0.00 C ATOM 150 O SER A 449 -0.219 -2.313 5.943 1.00 0.00 O ATOM 151 CB SER A 449 2.023 -0.495 7.603 1.00 0.00 C ATOM 152 OG SER A 449 1.452 0.322 6.592 1.00 0.00 O ATOM 0 H SER A 449 2.858 -1.741 5.714 1.00 0.00 H new ATOM 0 HA SER A 449 1.917 -2.523 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.673 -0.163 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 449 3.107 -0.380 7.596 1.00 0.00 H new ATOM 0 HG SER A 449 1.082 1.134 6.998 1.00 0.00 H new ATOM 158 N PRO A 450 -0.703 -2.080 8.134 1.00 0.00 N ATOM 159 CA PRO A 450 -2.124 -2.178 7.894 1.00 0.00 C ATOM 160 C PRO A 450 -2.535 -0.906 7.143 1.00 0.00 C ATOM 161 O PRO A 450 -1.852 0.133 7.183 1.00 0.00 O ATOM 162 CB PRO A 450 -2.780 -2.292 9.271 1.00 0.00 C ATOM 163 CG PRO A 450 -1.782 -1.600 10.195 1.00 0.00 C ATOM 164 CD PRO A 450 -0.431 -1.899 9.547 1.00 0.00 C ATOM 0 HA PRO A 450 -2.423 -3.036 7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.754 -1.804 9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.938 -3.332 9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -1.969 -0.528 10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -1.836 -1.992 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.270 -1.080 9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 450 0.019 -2.794 9.976 1.00 0.00 H new ATOM 172 N TRP A 451 -3.625 -1.011 6.399 1.00 0.00 N ATOM 173 CA TRP A 451 -4.155 0.101 5.645 1.00 0.00 C ATOM 174 C TRP A 451 -4.791 1.086 6.615 1.00 0.00 C ATOM 175 O TRP A 451 -5.252 0.703 7.693 1.00 0.00 O ATOM 176 CB TRP A 451 -5.231 -0.412 4.690 1.00 0.00 C ATOM 177 CG TRP A 451 -4.723 -1.182 3.517 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.882 -2.503 3.299 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.002 -0.674 2.363 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.327 -2.838 2.080 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.765 -1.744 1.459 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.548 0.602 1.987 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.094 -1.549 0.245 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.888 0.818 0.768 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.644 -0.260 -0.096 1.00 0.00 C ATOM 0 H TRP A 451 -4.163 -1.872 6.305 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.358 0.585 5.081 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -5.919 -1.045 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.806 0.439 4.325 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.368 -3.192 3.973 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.332 -3.779 1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.711 1.437 2.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.924 -2.380 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.568 1.813 0.495 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.111 -0.101 -1.022 1.00 0.00 H new ATOM 196 N SER A 452 -4.807 2.355 6.233 1.00 0.00 N ATOM 197 CA SER A 452 -5.414 3.402 7.011 1.00 0.00 C ATOM 198 C SER A 452 -6.917 3.337 6.714 1.00 0.00 C ATOM 199 O SER A 452 -7.416 2.392 6.076 1.00 0.00 O ATOM 200 CB SER A 452 -4.784 4.727 6.561 1.00 0.00 C ATOM 201 OG SER A 452 -4.959 4.921 5.169 1.00 0.00 O ATOM 0 H SER A 452 -4.391 2.681 5.361 1.00 0.00 H new ATOM 0 HA SER A 452 -5.260 3.304 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.237 5.554 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.721 4.730 6.802 1.00 0.00 H new ATOM 0 HG SER A 452 -5.011 5.880 4.976 1.00 0.00 H new ATOM 207 N ALA A 453 -7.660 4.314 7.219 1.00 0.00 N ATOM 208 CA ALA A 453 -9.079 4.386 6.967 1.00 0.00 C ATOM 209 C ALA A 453 -9.250 4.635 5.470 1.00 0.00 C ATOM 210 O ALA A 453 -8.492 5.402 4.865 1.00 0.00 O ATOM 211 CB ALA A 453 -9.667 5.534 7.767 1.00 0.00 C ATOM 0 H ALA A 453 -7.295 5.065 7.805 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.590 3.469 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.739 5.595 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.491 5.365 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.193 6.468 7.465 1.00 0.00 H new ATOM 217 N CYS A 454 -10.199 3.943 4.853 1.00 0.00 N ATOM 218 CA CYS A 454 -10.464 4.098 3.440 1.00 0.00 C ATOM 219 C CYS A 454 -10.964 5.511 3.190 1.00 0.00 C ATOM 220 O CYS A 454 -11.857 6.005 3.883 1.00 0.00 O ATOM 221 CB CYS A 454 -11.458 3.043 2.958 1.00 0.00 C ATOM 222 SG CYS A 454 -10.758 1.383 3.063 1.00 0.00 S ATOM 0 H CYS A 454 -10.800 3.264 5.320 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.548 3.946 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.366 3.095 3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.744 3.254 1.928 1.00 0.00 H new ATOM 227 N SER A 455 -10.399 6.135 2.159 1.00 0.00 N ATOM 228 CA SER A 455 -10.728 7.484 1.721 1.00 0.00 C ATOM 229 C SER A 455 -12.248 7.579 1.524 1.00 0.00 C ATOM 230 O SER A 455 -12.833 8.618 1.830 1.00 0.00 O ATOM 231 CB SER A 455 -9.898 7.807 0.473 1.00 0.00 C ATOM 232 OG SER A 455 -10.189 9.081 -0.060 1.00 0.00 O ATOM 0 H SER A 455 -9.675 5.698 1.588 1.00 0.00 H new ATOM 0 HA SER A 455 -10.471 8.240 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.838 7.756 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.083 7.049 -0.288 1.00 0.00 H new ATOM 0 HG SER A 455 -9.634 9.239 -0.852 1.00 0.00 H new ATOM 238 N SER A 456 -12.893 6.512 1.033 1.00 0.00 N ATOM 239 CA SER A 456 -14.340 6.494 0.872 1.00 0.00 C ATOM 240 C SER A 456 -14.849 5.554 1.962 1.00 0.00 C ATOM 241 O SER A 456 -14.596 4.347 1.905 1.00 0.00 O ATOM 242 CB SER A 456 -14.802 6.052 -0.521 1.00 0.00 C ATOM 243 OG SER A 456 -15.929 6.782 -0.946 1.00 0.00 O ATOM 0 H SER A 456 -12.428 5.652 0.742 1.00 0.00 H new ATOM 0 HA SER A 456 -14.745 7.501 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 456 -13.989 6.187 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.040 4.988 -0.506 1.00 0.00 H new ATOM 0 HG SER A 456 -16.102 6.595 -1.892 1.00 0.00 H new ATOM 249 N SER A 457 -15.479 6.119 2.989 1.00 0.00 N ATOM 250 CA SER A 457 -16.065 5.397 4.114 1.00 0.00 C ATOM 251 C SER A 457 -17.450 4.846 3.712 1.00 0.00 C ATOM 252 O SER A 457 -18.182 4.336 4.561 1.00 0.00 O ATOM 253 CB SER A 457 -16.169 6.359 5.309 1.00 0.00 C ATOM 254 OG SER A 457 -15.891 5.724 6.543 1.00 0.00 O ATOM 0 H SER A 457 -15.600 7.129 3.063 1.00 0.00 H new ATOM 0 HA SER A 457 -15.440 4.550 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.475 7.187 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.172 6.786 5.342 1.00 0.00 H new ATOM 0 HG SER A 457 -15.968 6.376 7.271 1.00 0.00 H new ATOM 260 N THR A 458 -17.818 4.966 2.432 1.00 0.00 N ATOM 261 CA THR A 458 -19.064 4.531 1.831 1.00 0.00 C ATOM 262 C THR A 458 -18.766 3.509 0.738 1.00 0.00 C ATOM 263 O THR A 458 -17.607 3.321 0.359 1.00 0.00 O ATOM 264 CB THR A 458 -19.816 5.760 1.284 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.042 6.510 0.365 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.217 6.697 2.419 1.00 0.00 C ATOM 0 H THR A 458 -17.201 5.403 1.747 1.00 0.00 H new ATOM 0 HA THR A 458 -19.703 4.049 2.571 1.00 0.00 H new ATOM 0 HB THR A 458 -20.694 5.366 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.564 7.276 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.746 7.558 2.010 1.00 0.00 H new ATOM 0 HG22 THR A 458 -20.868 6.168 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.324 7.036 2.944 1.00 0.00 H new ATOM 274 N CYS A 459 -19.797 2.857 0.200 1.00 0.00 N ATOM 275 CA CYS A 459 -19.655 1.855 -0.853 1.00 0.00 C ATOM 276 C CYS A 459 -19.061 2.450 -2.144 1.00 0.00 C ATOM 277 O CYS A 459 -18.716 1.716 -3.070 1.00 0.00 O ATOM 278 CB CYS A 459 -21.019 1.177 -1.064 1.00 0.00 C ATOM 279 SG CYS A 459 -21.120 -0.318 -2.089 1.00 0.00 S ATOM 0 H CYS A 459 -20.763 3.012 0.487 1.00 0.00 H new ATOM 0 HA CYS A 459 -18.935 1.096 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.416 0.927 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.689 1.918 -1.499 1.00 0.00 H new ATOM 0 HG CYS A 459 -22.352 -0.729 -2.136 1.00 0.00 H new ATOM 284 N GLU A 460 -18.968 3.775 -2.263 1.00 0.00 N ATOM 285 CA GLU A 460 -18.390 4.416 -3.431 1.00 0.00 C ATOM 286 C GLU A 460 -16.909 4.039 -3.478 1.00 0.00 C ATOM 287 O GLU A 460 -16.240 4.000 -2.440 1.00 0.00 O ATOM 288 CB GLU A 460 -18.556 5.933 -3.337 1.00 0.00 C ATOM 289 CG GLU A 460 -20.022 6.319 -3.550 1.00 0.00 C ATOM 290 CD GLU A 460 -20.186 7.817 -3.777 1.00 0.00 C ATOM 291 OE1 GLU A 460 -19.522 8.356 -4.694 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.001 8.446 -3.058 1.00 0.00 O ATOM 0 H GLU A 460 -19.293 4.428 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.893 4.085 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.218 6.283 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.931 6.421 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.420 5.776 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.607 6.017 -2.682 1.00 0.00 H new ATOM 299 N LYS A 461 -16.384 3.761 -4.674 1.00 0.00 N ATOM 300 CA LYS A 461 -14.978 3.388 -4.805 1.00 0.00 C ATOM 301 C LYS A 461 -14.114 4.518 -4.259 1.00 0.00 C ATOM 302 O LYS A 461 -14.384 5.702 -4.488 1.00 0.00 O ATOM 303 CB LYS A 461 -14.608 3.051 -6.257 1.00 0.00 C ATOM 304 CG LYS A 461 -15.218 1.727 -6.735 1.00 0.00 C ATOM 305 CD LYS A 461 -14.502 0.474 -6.204 1.00 0.00 C ATOM 306 CE LYS A 461 -15.097 -0.829 -6.770 1.00 0.00 C ATOM 307 NZ LYS A 461 -16.532 -1.025 -6.459 1.00 0.00 N ATOM 0 H LYS A 461 -16.904 3.787 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.798 2.482 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.945 3.857 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.523 2.999 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.264 1.691 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.203 1.706 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.444 0.528 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.566 0.456 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -14.967 -0.835 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -14.532 -1.674 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -16.945 -1.697 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -16.630 -1.402 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -17.030 -0.114 -6.527 1.00 0.00 H new ATOM 321 N GLY A 462 -13.069 4.134 -3.544 1.00 0.00 N ATOM 322 CA GLY A 462 -12.100 5.014 -2.916 1.00 0.00 C ATOM 323 C GLY A 462 -10.739 4.356 -2.910 1.00 0.00 C ATOM 324 O GLY A 462 -10.507 3.427 -3.685 1.00 0.00 O ATOM 0 H GLY A 462 -12.864 3.149 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.054 5.961 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.409 5.241 -1.896 1.00 0.00 H new ATOM 328 N LYS A 463 -9.830 4.830 -2.060 1.00 0.00 N ATOM 329 CA LYS A 463 -8.469 4.315 -1.922 1.00 0.00 C ATOM 330 C LYS A 463 -8.049 4.289 -0.461 1.00 0.00 C ATOM 331 O LYS A 463 -8.633 5.002 0.344 1.00 0.00 O ATOM 332 CB LYS A 463 -7.472 5.275 -2.613 1.00 0.00 C ATOM 333 CG LYS A 463 -7.584 5.471 -4.130 1.00 0.00 C ATOM 334 CD LYS A 463 -6.609 4.601 -4.938 1.00 0.00 C ATOM 335 CE LYS A 463 -6.295 5.242 -6.299 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.484 5.564 -7.118 1.00 0.00 N ATOM 0 H LYS A 463 -10.026 5.607 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.458 3.317 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.572 6.253 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.464 4.920 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.603 5.245 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.403 6.520 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.686 4.465 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -7.039 3.611 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.727 6.157 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -5.653 4.566 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.181 5.880 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.080 4.717 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -8.028 6.321 -6.657 1.00 0.00 H new ATOM 350 N ARG A 464 -7.006 3.528 -0.143 1.00 0.00 N ATOM 351 CA ARG A 464 -6.393 3.415 1.181 1.00 0.00 C ATOM 352 C ARG A 464 -4.942 3.871 1.090 1.00 0.00 C ATOM 353 O ARG A 464 -4.431 4.030 -0.020 1.00 0.00 O ATOM 354 CB ARG A 464 -6.381 1.966 1.627 1.00 0.00 C ATOM 355 CG ARG A 464 -7.777 1.484 1.904 1.00 0.00 C ATOM 356 CD ARG A 464 -7.835 -0.036 1.912 1.00 0.00 C ATOM 357 NE ARG A 464 -7.677 -0.695 0.601 1.00 0.00 N ATOM 358 CZ ARG A 464 -7.518 -2.017 0.442 1.00 0.00 C ATOM 359 NH1 ARG A 464 -7.426 -2.830 1.485 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.469 -2.528 -0.776 1.00 0.00 N ATOM 0 H ARG A 464 -6.540 2.942 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 464 -6.961 4.023 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.923 1.347 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -5.770 1.861 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.115 1.870 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.458 1.874 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.056 -0.406 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.791 -0.341 2.337 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.689 -0.110 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -7.476 -2.453 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -7.305 -3.833 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.552 -1.918 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.348 -3.533 -0.903 1.00 0.00 H new ATOM 374 N MET A 465 -4.249 3.994 2.225 1.00 0.00 N ATOM 375 CA MET A 465 -2.849 4.390 2.299 1.00 0.00 C ATOM 376 C MET A 465 -2.119 3.491 3.306 1.00 0.00 C ATOM 377 O MET A 465 -2.676 3.107 4.340 1.00 0.00 O ATOM 378 CB MET A 465 -2.772 5.867 2.712 1.00 0.00 C ATOM 379 CG MET A 465 -1.325 6.354 2.780 1.00 0.00 C ATOM 380 SD MET A 465 -1.125 8.115 3.142 1.00 0.00 S ATOM 381 CE MET A 465 -1.646 8.166 4.879 1.00 0.00 C ATOM 0 H MET A 465 -4.662 3.815 3.140 1.00 0.00 H new ATOM 0 HA MET A 465 -2.366 4.274 1.329 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.329 6.475 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.248 6.000 3.684 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.800 5.780 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 465 -0.840 6.137 1.828 1.00 0.00 H new ATOM 0 HE1 MET A 465 -1.528 9.179 5.265 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.692 7.869 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 465 -1.031 7.481 5.463 1.00 0.00 H new ATOM 391 N ARG A 466 -0.870 3.125 3.012 1.00 0.00 N ATOM 392 CA ARG A 466 -0.025 2.301 3.882 1.00 0.00 C ATOM 393 C ARG A 466 1.406 2.835 3.820 1.00 0.00 C ATOM 394 O ARG A 466 1.696 3.693 2.975 1.00 0.00 O ATOM 395 CB ARG A 466 -0.189 0.799 3.574 1.00 0.00 C ATOM 396 CG ARG A 466 0.202 0.371 2.158 1.00 0.00 C ATOM 397 CD ARG A 466 -0.055 -1.135 2.031 1.00 0.00 C ATOM 398 NE ARG A 466 0.351 -1.671 0.724 1.00 0.00 N ATOM 399 CZ ARG A 466 0.131 -2.914 0.291 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.448 -3.812 1.082 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.486 -3.246 -0.943 1.00 0.00 N ATOM 0 H ARG A 466 -0.407 3.398 2.145 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.341 2.379 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 466 0.412 0.232 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.229 0.522 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.381 0.921 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.251 0.596 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.486 -1.660 2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.115 -1.333 2.187 1.00 0.00 H new ATOM 0 HE ARG A 466 0.843 -1.038 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.728 -3.553 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.612 -4.760 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.923 -2.554 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.322 -4.193 -1.283 1.00 0.00 H new ATOM 415 N GLN A 467 2.282 2.388 4.719 1.00 0.00 N ATOM 416 CA GLN A 467 3.674 2.811 4.796 1.00 0.00 C ATOM 417 C GLN A 467 4.490 1.765 5.569 1.00 0.00 C ATOM 418 O GLN A 467 4.342 1.662 6.784 1.00 0.00 O ATOM 419 CB GLN A 467 3.808 4.200 5.461 1.00 0.00 C ATOM 420 CG GLN A 467 2.881 4.427 6.671 1.00 0.00 C ATOM 421 CD GLN A 467 3.415 5.478 7.641 1.00 0.00 C ATOM 422 OE1 GLN A 467 4.269 5.193 8.479 1.00 0.00 O ATOM 423 NE2 GLN A 467 2.936 6.706 7.557 1.00 0.00 N ATOM 0 H GLN A 467 2.033 1.703 5.432 1.00 0.00 H new ATOM 0 HA GLN A 467 4.063 2.895 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.841 4.336 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.602 4.967 4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 467 1.897 4.734 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 467 2.748 3.484 7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 467 2.228 6.931 6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 467 3.274 7.430 8.191 1.00 0.00 H new ATOM 432 N ARG A 468 5.258 0.910 4.898 1.00 0.00 N ATOM 433 CA ARG A 468 6.092 -0.110 5.542 1.00 0.00 C ATOM 434 C ARG A 468 7.459 0.489 5.861 1.00 0.00 C ATOM 435 O ARG A 468 7.767 1.606 5.435 1.00 0.00 O ATOM 436 CB ARG A 468 6.238 -1.352 4.646 1.00 0.00 C ATOM 437 CG ARG A 468 6.972 -1.039 3.340 1.00 0.00 C ATOM 438 CD ARG A 468 6.798 -2.131 2.292 1.00 0.00 C ATOM 439 NE ARG A 468 7.191 -1.609 0.981 1.00 0.00 N ATOM 440 CZ ARG A 468 7.366 -2.297 -0.144 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.327 -3.627 -0.169 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.573 -1.612 -1.258 1.00 0.00 N ATOM 0 H ARG A 468 5.322 0.903 3.880 1.00 0.00 H new ATOM 0 HA ARG A 468 5.612 -0.429 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.779 -2.128 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.250 -1.752 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.605 -0.094 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 468 8.034 -0.906 3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.407 -2.998 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.761 -2.466 2.267 1.00 0.00 H new ATOM 0 HE ARG A 468 7.349 -0.603 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.159 -4.149 0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.465 -4.125 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.594 -0.593 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.712 -2.104 -2.141 1.00 0.00 H new ATOM 456 N MET A 469 8.287 -0.274 6.568 1.00 0.00 N ATOM 457 CA MET A 469 9.635 0.121 6.941 1.00 0.00 C ATOM 458 C MET A 469 10.608 -0.699 6.095 1.00 0.00 C ATOM 459 O MET A 469 10.375 -1.884 5.830 1.00 0.00 O ATOM 460 CB MET A 469 9.828 -0.100 8.447 1.00 0.00 C ATOM 461 CG MET A 469 11.078 0.595 9.001 1.00 0.00 C ATOM 462 SD MET A 469 11.241 2.383 8.699 1.00 0.00 S ATOM 463 CE MET A 469 9.639 3.003 9.279 1.00 0.00 C ATOM 0 H MET A 469 8.031 -1.203 6.903 1.00 0.00 H new ATOM 0 HA MET A 469 9.818 1.179 6.751 1.00 0.00 H new ATOM 0 HB2 MET A 469 8.950 0.268 8.978 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.896 -1.170 8.646 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.106 0.431 10.078 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.954 0.100 8.580 1.00 0.00 H new ATOM 0 HE1 MET A 469 9.620 4.090 9.203 1.00 0.00 H new ATOM 0 HE2 MET A 469 8.842 2.582 8.665 1.00 0.00 H new ATOM 0 HE3 MET A 469 9.490 2.710 10.318 1.00 0.00 H new ATOM 473 N LEU A 470 11.664 -0.058 5.605 1.00 0.00 N ATOM 474 CA LEU A 470 12.705 -0.661 4.785 1.00 0.00 C ATOM 475 C LEU A 470 13.663 -1.390 5.715 1.00 0.00 C ATOM 476 O LEU A 470 14.222 -0.782 6.627 1.00 0.00 O ATOM 477 CB LEU A 470 13.393 0.446 3.963 1.00 0.00 C ATOM 478 CG LEU A 470 14.426 0.027 2.901 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.775 -0.357 3.499 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.945 -1.076 1.956 1.00 0.00 C ATOM 0 H LEU A 470 11.823 0.935 5.776 1.00 0.00 H new ATOM 0 HA LEU A 470 12.305 -1.385 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.615 1.021 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 470 13.888 1.121 4.661 1.00 0.00 H new ATOM 0 HG LEU A 470 14.556 0.929 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.459 -0.642 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.187 0.493 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.645 -1.196 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.733 -1.311 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.701 -1.968 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.058 -0.736 1.421 1.00 0.00 H new ATOM 492 N LYS A 471 13.790 -2.706 5.541 1.00 0.00 N ATOM 493 CA LYS A 471 14.689 -3.515 6.350 1.00 0.00 C ATOM 494 C LYS A 471 16.089 -3.321 5.787 1.00 0.00 C ATOM 495 O LYS A 471 16.963 -2.830 6.498 1.00 0.00 O ATOM 496 CB LYS A 471 14.272 -4.992 6.348 1.00 0.00 C ATOM 497 CG LYS A 471 12.988 -5.256 7.130 1.00 0.00 C ATOM 498 CD LYS A 471 12.715 -6.754 7.326 1.00 0.00 C ATOM 499 CE LYS A 471 12.615 -7.532 6.002 1.00 0.00 C ATOM 500 NZ LYS A 471 13.263 -8.859 6.083 1.00 0.00 N ATOM 0 H LYS A 471 13.274 -3.235 4.838 1.00 0.00 H new ATOM 0 HA LYS A 471 14.655 -3.201 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.137 -5.323 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.078 -5.591 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.054 -4.772 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.147 -4.803 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.511 -7.185 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.786 -6.877 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 471 11.566 -7.658 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.079 -6.951 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.171 -9.347 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 14.270 -8.740 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.804 -9.425 6.825 1.00 0.00 H new ATOM 514 N ALA A 472 16.308 -3.696 4.524 1.00 0.00 N ATOM 515 CA ALA A 472 17.589 -3.585 3.847 1.00 0.00 C ATOM 516 C ALA A 472 17.406 -3.155 2.394 1.00 0.00 C ATOM 517 O ALA A 472 16.329 -3.310 1.820 1.00 0.00 O ATOM 518 CB ALA A 472 18.276 -4.952 3.912 1.00 0.00 C ATOM 0 H ALA A 472 15.577 -4.094 3.935 1.00 0.00 H new ATOM 0 HA ALA A 472 18.199 -2.826 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.242 -4.898 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.424 -5.236 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.652 -5.697 3.418 1.00 0.00 H new ATOM 524 N GLN A 473 18.468 -2.626 1.791 1.00 0.00 N ATOM 525 CA GLN A 473 18.504 -2.173 0.407 1.00 0.00 C ATOM 526 C GLN A 473 19.752 -2.774 -0.225 1.00 0.00 C ATOM 527 O GLN A 473 20.823 -2.801 0.392 1.00 0.00 O ATOM 528 CB GLN A 473 18.433 -0.635 0.316 1.00 0.00 C ATOM 529 CG GLN A 473 19.610 0.119 0.952 1.00 0.00 C ATOM 530 CD GLN A 473 19.236 1.578 1.214 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.702 1.913 2.270 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.374 2.469 0.250 1.00 0.00 N ATOM 0 H GLN A 473 19.358 -2.497 2.272 1.00 0.00 H new ATOM 0 HA GLN A 473 17.630 -2.513 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.369 -0.353 -0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.511 -0.302 0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 473 19.895 -0.363 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.477 0.073 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.815 2.204 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.039 3.423 0.386 1.00 0.00 H new ATOM 541 N LEU A 474 19.607 -3.307 -1.434 1.00 0.00 N ATOM 542 CA LEU A 474 20.704 -3.919 -2.176 1.00 0.00 C ATOM 543 C LEU A 474 21.673 -2.861 -2.714 1.00 0.00 C ATOM 544 O LEU A 474 22.798 -3.199 -3.091 1.00 0.00 O ATOM 545 CB LEU A 474 20.139 -4.760 -3.324 1.00 0.00 C ATOM 546 CG LEU A 474 19.718 -6.175 -2.895 1.00 0.00 C ATOM 547 CD1 LEU A 474 18.447 -6.224 -2.036 1.00 0.00 C ATOM 548 CD2 LEU A 474 19.495 -7.003 -4.156 1.00 0.00 C ATOM 0 H LEU A 474 18.716 -3.326 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 474 21.264 -4.562 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.278 -4.246 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 474 20.888 -4.835 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 474 20.519 -6.570 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.222 -7.259 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 474 18.602 -5.648 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 474 17.613 -5.800 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.195 -8.014 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 474 18.711 -6.544 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.419 -7.044 -4.732 1.00 0.00 H new ATOM 560 N ASP A 475 21.253 -1.597 -2.717 1.00 0.00 N ATOM 561 CA ASP A 475 22.016 -0.443 -3.167 1.00 0.00 C ATOM 562 C ASP A 475 21.911 0.639 -2.103 1.00 0.00 C ATOM 563 O ASP A 475 20.853 1.241 -1.917 1.00 0.00 O ATOM 564 CB ASP A 475 21.510 0.050 -4.527 1.00 0.00 C ATOM 565 CG ASP A 475 22.297 1.242 -5.069 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.244 1.715 -4.394 1.00 0.00 O ATOM 567 OD2 ASP A 475 21.931 1.664 -6.190 1.00 0.00 O ATOM 0 H ASP A 475 20.322 -1.341 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 475 23.063 -0.715 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.563 -0.768 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.460 0.327 -4.437 1.00 0.00 H new ATOM 572 N LEU A 476 22.984 0.828 -1.334 1.00 0.00 N ATOM 573 CA LEU A 476 23.043 1.825 -0.267 1.00 0.00 C ATOM 574 C LEU A 476 23.074 3.252 -0.824 1.00 0.00 C ATOM 575 O LEU A 476 22.841 4.184 -0.057 1.00 0.00 O ATOM 576 CB LEU A 476 24.280 1.585 0.626 1.00 0.00 C ATOM 577 CG LEU A 476 24.158 0.510 1.728 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.145 0.899 2.811 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.809 -0.884 1.191 1.00 0.00 C ATOM 0 H LEU A 476 23.843 0.288 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 476 22.138 1.716 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.115 1.313 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.540 2.530 1.103 1.00 0.00 H new ATOM 0 HG LEU A 476 25.154 0.459 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.095 0.111 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.456 1.831 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.162 1.032 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.740 -1.587 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.853 -0.844 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.586 -1.213 0.501 1.00 0.00 H new ATOM 591 N SER A 477 23.373 3.449 -2.111 1.00 0.00 N ATOM 592 CA SER A 477 23.436 4.760 -2.746 1.00 0.00 C ATOM 593 C SER A 477 22.096 5.175 -3.352 1.00 0.00 C ATOM 594 O SER A 477 21.965 6.291 -3.866 1.00 0.00 O ATOM 595 CB SER A 477 24.535 4.723 -3.812 1.00 0.00 C ATOM 596 OG SER A 477 24.819 6.010 -4.321 1.00 0.00 O ATOM 0 H SER A 477 23.582 2.682 -2.751 1.00 0.00 H new ATOM 0 HA SER A 477 23.669 5.510 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.441 4.294 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.227 4.070 -4.628 1.00 0.00 H new ATOM 0 HG SER A 477 23.995 6.540 -4.349 1.00 0.00 H new ATOM 602 N VAL A 478 21.085 4.314 -3.302 1.00 0.00 N ATOM 603 CA VAL A 478 19.788 4.616 -3.865 1.00 0.00 C ATOM 604 C VAL A 478 18.732 4.188 -2.854 1.00 0.00 C ATOM 605 O VAL A 478 18.589 2.989 -2.600 1.00 0.00 O ATOM 606 CB VAL A 478 19.664 3.924 -5.225 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.270 4.123 -5.825 1.00 0.00 C ATOM 608 CG2 VAL A 478 20.683 4.496 -6.224 1.00 0.00 C ATOM 0 H VAL A 478 21.148 3.392 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 478 19.649 5.681 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 478 19.850 2.864 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.214 3.620 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.521 3.703 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.080 5.188 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.576 3.989 -7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.504 5.563 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 478 21.692 4.342 -5.843 1.00 0.00 H new ATOM 618 N PRO A 479 18.018 5.140 -2.232 1.00 0.00 N ATOM 619 CA PRO A 479 16.992 4.810 -1.271 1.00 0.00 C ATOM 620 C PRO A 479 15.853 4.086 -1.965 1.00 0.00 C ATOM 621 O PRO A 479 15.734 4.069 -3.193 1.00 0.00 O ATOM 622 CB PRO A 479 16.490 6.141 -0.711 1.00 0.00 C ATOM 623 CG PRO A 479 16.779 7.132 -1.832 1.00 0.00 C ATOM 624 CD PRO A 479 18.071 6.580 -2.428 1.00 0.00 C ATOM 0 HA PRO A 479 17.376 4.162 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.427 6.101 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.011 6.412 0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 479 15.973 7.163 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 479 16.906 8.147 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.149 6.827 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 479 18.943 7.009 -1.935 1.00 0.00 H new ATOM 632 N CYS A 480 14.966 3.566 -1.135 1.00 0.00 N ATOM 633 CA CYS A 480 13.791 2.837 -1.538 1.00 0.00 C ATOM 634 C CYS A 480 12.551 3.696 -1.259 1.00 0.00 C ATOM 635 O CYS A 480 11.978 3.576 -0.174 1.00 0.00 O ATOM 636 CB CYS A 480 13.822 1.500 -0.793 1.00 0.00 C ATOM 637 SG CYS A 480 15.200 0.443 -1.271 1.00 0.00 S ATOM 0 H CYS A 480 15.054 3.647 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 480 13.760 2.620 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.876 1.691 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.887 0.970 -0.975 1.00 0.00 H new ATOM 642 N PRO A 481 12.113 4.549 -2.206 1.00 0.00 N ATOM 643 CA PRO A 481 10.946 5.422 -2.055 1.00 0.00 C ATOM 644 C PRO A 481 9.603 4.677 -1.987 1.00 0.00 C ATOM 645 O PRO A 481 8.568 5.293 -1.720 1.00 0.00 O ATOM 646 CB PRO A 481 10.996 6.363 -3.262 1.00 0.00 C ATOM 647 CG PRO A 481 11.687 5.519 -4.330 1.00 0.00 C ATOM 648 CD PRO A 481 12.723 4.773 -3.511 1.00 0.00 C ATOM 0 HA PRO A 481 10.996 5.947 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 481 9.998 6.671 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.556 7.272 -3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.994 4.841 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.144 6.134 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.990 3.828 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.641 5.354 -3.419 1.00 0.00 H new ATOM 656 N ASP A 482 9.569 3.366 -2.227 1.00 0.00 N ATOM 657 CA ASP A 482 8.359 2.538 -2.177 1.00 0.00 C ATOM 658 C ASP A 482 7.944 2.220 -0.730 1.00 0.00 C ATOM 659 O ASP A 482 7.449 1.128 -0.424 1.00 0.00 O ATOM 660 CB ASP A 482 8.557 1.249 -2.992 1.00 0.00 C ATOM 661 CG ASP A 482 8.501 1.437 -4.494 1.00 0.00 C ATOM 662 OD1 ASP A 482 7.859 2.393 -4.982 1.00 0.00 O ATOM 663 OD2 ASP A 482 9.045 0.547 -5.191 1.00 0.00 O ATOM 0 H ASP A 482 10.405 2.834 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 482 7.546 3.109 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.521 0.813 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.792 0.529 -2.700 1.00 0.00 H new ATOM 668 N THR A 483 8.225 3.123 0.212 1.00 0.00 N ATOM 669 CA THR A 483 7.854 2.937 1.605 1.00 0.00 C ATOM 670 C THR A 483 6.339 2.939 1.709 1.00 0.00 C ATOM 671 O THR A 483 5.811 2.225 2.550 1.00 0.00 O ATOM 672 CB THR A 483 8.461 4.037 2.488 1.00 0.00 C ATOM 673 OG1 THR A 483 8.319 5.313 1.897 1.00 0.00 O ATOM 674 CG2 THR A 483 9.940 3.785 2.739 1.00 0.00 C ATOM 0 H THR A 483 8.714 3.998 0.026 1.00 0.00 H new ATOM 0 HA THR A 483 8.245 1.984 1.960 1.00 0.00 H new ATOM 0 HB THR A 483 7.918 4.013 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 483 8.714 5.991 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.343 4.580 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 483 10.065 2.826 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.473 3.768 1.788 1.00 0.00 H new ATOM 682 N GLN A 484 5.641 3.694 0.859 1.00 0.00 N ATOM 683 CA GLN A 484 4.195 3.801 0.840 1.00 0.00 C ATOM 684 C GLN A 484 3.604 3.164 -0.410 1.00 0.00 C ATOM 685 O GLN A 484 4.308 2.872 -1.378 1.00 0.00 O ATOM 686 CB GLN A 484 3.780 5.271 0.968 1.00 0.00 C ATOM 687 CG GLN A 484 4.448 6.208 -0.051 1.00 0.00 C ATOM 688 CD GLN A 484 3.842 7.611 -0.078 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.981 8.321 -1.067 1.00 0.00 O ATOM 690 NE2 GLN A 484 3.206 8.067 0.994 1.00 0.00 N ATOM 0 H GLN A 484 6.090 4.265 0.143 1.00 0.00 H new ATOM 0 HA GLN A 484 3.797 3.251 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.698 5.342 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.019 5.618 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.511 6.284 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.368 5.767 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 484 3.094 7.470 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 484 2.829 9.015 0.999 1.00 0.00 H new ATOM 699 N ASP A 485 2.296 2.933 -0.359 1.00 0.00 N ATOM 700 CA ASP A 485 1.505 2.351 -1.435 1.00 0.00 C ATOM 701 C ASP A 485 0.050 2.772 -1.224 1.00 0.00 C ATOM 702 O ASP A 485 -0.330 3.172 -0.113 1.00 0.00 O ATOM 703 CB ASP A 485 1.623 0.825 -1.409 1.00 0.00 C ATOM 704 CG ASP A 485 1.112 0.120 -2.666 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.708 0.775 -3.654 1.00 0.00 O ATOM 706 OD2 ASP A 485 1.087 -1.132 -2.632 1.00 0.00 O ATOM 0 H ASP A 485 1.738 3.155 0.465 1.00 0.00 H new ATOM 0 HA ASP A 485 1.864 2.700 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.669 0.558 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.072 0.447 -0.548 1.00 0.00 H new ATOM 711 N PHE A 486 -0.757 2.671 -2.276 1.00 0.00 N ATOM 712 CA PHE A 486 -2.162 3.027 -2.317 1.00 0.00 C ATOM 713 C PHE A 486 -2.916 2.084 -3.245 1.00 0.00 C ATOM 714 O PHE A 486 -2.544 1.936 -4.406 1.00 0.00 O ATOM 715 CB PHE A 486 -2.317 4.444 -2.886 1.00 0.00 C ATOM 716 CG PHE A 486 -1.826 5.568 -2.000 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.460 5.906 -1.947 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.761 6.313 -1.263 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.026 6.952 -1.115 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.333 7.374 -0.447 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.964 7.680 -0.364 1.00 0.00 C ATOM 0 H PHE A 486 -0.423 2.317 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.559 2.965 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.782 4.495 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.371 4.614 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.254 5.361 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.812 6.070 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.024 7.195 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.053 7.952 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.631 8.480 0.281 1.00 0.00 H new ATOM 731 N GLN A 487 -3.965 1.431 -2.755 1.00 0.00 N ATOM 732 CA GLN A 487 -4.805 0.536 -3.546 1.00 0.00 C ATOM 733 C GLN A 487 -6.248 0.989 -3.327 1.00 0.00 C ATOM 734 O GLN A 487 -6.540 1.647 -2.317 1.00 0.00 O ATOM 735 CB GLN A 487 -4.628 -0.948 -3.171 1.00 0.00 C ATOM 736 CG GLN A 487 -3.654 -1.700 -4.084 1.00 0.00 C ATOM 737 CD GLN A 487 -2.210 -1.477 -3.682 1.00 0.00 C ATOM 738 OE1 GLN A 487 -1.796 -1.932 -2.623 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.419 -0.840 -4.515 1.00 0.00 N ATOM 0 H GLN A 487 -4.261 1.510 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.518 0.597 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.273 -1.014 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.599 -1.441 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -3.878 -2.766 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.798 -1.374 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.791 -0.471 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -0.433 -0.714 -4.287 1.00 0.00 H new ATOM 748 N PRO A 488 -7.166 0.646 -4.244 1.00 0.00 N ATOM 749 CA PRO A 488 -8.559 1.026 -4.111 1.00 0.00 C ATOM 750 C PRO A 488 -9.201 0.351 -2.894 1.00 0.00 C ATOM 751 O PRO A 488 -8.641 -0.584 -2.315 1.00 0.00 O ATOM 752 CB PRO A 488 -9.229 0.615 -5.426 1.00 0.00 C ATOM 753 CG PRO A 488 -8.359 -0.532 -5.923 1.00 0.00 C ATOM 754 CD PRO A 488 -6.964 -0.116 -5.470 1.00 0.00 C ATOM 0 HA PRO A 488 -8.674 2.096 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.260 0.298 -5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.253 1.439 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.658 -1.485 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.416 -0.644 -7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.333 -0.987 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.468 0.487 -6.230 1.00 0.00 H new ATOM 762 N CYS A 489 -10.349 0.870 -2.473 1.00 0.00 N ATOM 763 CA CYS A 489 -11.155 0.379 -1.366 1.00 0.00 C ATOM 764 C CYS A 489 -12.626 0.715 -1.611 1.00 0.00 C ATOM 765 O CYS A 489 -12.981 1.468 -2.525 1.00 0.00 O ATOM 766 CB CYS A 489 -10.676 0.998 -0.050 1.00 0.00 C ATOM 767 SG CYS A 489 -11.468 0.352 1.459 1.00 0.00 S ATOM 0 H CYS A 489 -10.763 1.688 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.048 -0.703 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.600 0.845 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.843 2.074 -0.094 1.00 0.00 H new ATOM 772 N MET A 490 -13.476 0.153 -0.760 1.00 0.00 N ATOM 773 CA MET A 490 -14.914 0.276 -0.689 1.00 0.00 C ATOM 774 C MET A 490 -15.225 0.296 0.806 1.00 0.00 C ATOM 775 O MET A 490 -14.594 -0.432 1.580 1.00 0.00 O ATOM 776 CB MET A 490 -15.583 -0.939 -1.337 1.00 0.00 C ATOM 777 CG MET A 490 -15.175 -1.119 -2.800 1.00 0.00 C ATOM 778 SD MET A 490 -15.924 -2.506 -3.686 1.00 0.00 S ATOM 779 CE MET A 490 -15.611 -3.886 -2.553 1.00 0.00 C ATOM 0 H MET A 490 -13.129 -0.465 -0.027 1.00 0.00 H new ATOM 0 HA MET A 490 -15.277 1.163 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.321 -1.836 -0.777 1.00 0.00 H new ATOM 0 HB3 MET A 490 -16.666 -0.830 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.417 -0.202 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.092 -1.235 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 490 -15.841 -4.827 -3.053 1.00 0.00 H new ATOM 0 HE2 MET A 490 -14.563 -3.881 -2.254 1.00 0.00 H new ATOM 0 HE3 MET A 490 -16.241 -3.781 -1.670 1.00 0.00 H new ATOM 789 N GLY A 491 -16.154 1.141 1.234 1.00 0.00 N ATOM 790 CA GLY A 491 -16.544 1.238 2.633 1.00 0.00 C ATOM 791 C GLY A 491 -17.330 -0.004 3.070 1.00 0.00 C ATOM 792 O GLY A 491 -17.574 -0.901 2.255 1.00 0.00 O ATOM 0 H GLY A 491 -16.659 1.779 0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.656 1.349 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.152 2.130 2.784 1.00 0.00 H new