USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 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 467 GLN : amide:sc= 0.186 K(o=0.45,f=-1.4!) USER MOD Set 1.2: A 484 GLN : amide:sc= 0.263 K(o=0.45,f=-0.06) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 445 TYR OH : rot 30:sc= 0 USER MOD Single : A 446 SER OG : rot 170:sc= 0.719 USER MOD Single : A 447 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot -81:sc= 1.21 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 CYS SG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 469 MET CE :methyl 173:sc= 0 (180deg=-0.0648) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.511 K(o=0.51,f=-0.047) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 487 GLN : amide:sc= 0.473 K(o=0.47,f=-0.043) USER MOD Single : A 490 MET CE :methyl -166:sc= -0.0297 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 13.109 -5.603 -6.612 1.00 0.00 N ATOM 20 CA GLU A 441 14.129 -6.594 -6.265 1.00 0.00 C ATOM 21 C GLU A 441 15.363 -6.085 -5.513 1.00 0.00 C ATOM 22 O GLU A 441 16.044 -6.866 -4.848 1.00 0.00 O ATOM 23 CB GLU A 441 14.583 -7.266 -7.562 1.00 0.00 C ATOM 24 CG GLU A 441 15.345 -6.329 -8.517 1.00 0.00 C ATOM 25 CD GLU A 441 14.687 -6.233 -9.882 1.00 0.00 C ATOM 26 OE1 GLU A 441 13.485 -5.898 -9.966 1.00 0.00 O ATOM 27 OE2 GLU A 441 15.387 -6.432 -10.900 1.00 0.00 O ATOM 0 HA GLU A 441 13.647 -7.271 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.221 -8.115 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.709 -7.663 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.405 -5.335 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.368 -6.688 -8.634 1.00 0.00 H new ATOM 34 N THR A 442 15.681 -4.801 -5.628 1.00 0.00 N ATOM 35 CA THR A 442 16.827 -4.169 -4.994 1.00 0.00 C ATOM 36 C THR A 442 16.464 -3.546 -3.641 1.00 0.00 C ATOM 37 O THR A 442 17.320 -2.922 -3.010 1.00 0.00 O ATOM 38 CB THR A 442 17.432 -3.160 -5.994 1.00 0.00 C ATOM 39 OG1 THR A 442 16.413 -2.470 -6.708 1.00 0.00 O ATOM 40 CG2 THR A 442 18.297 -3.917 -7.010 1.00 0.00 C ATOM 0 H THR A 442 15.127 -4.150 -6.185 1.00 0.00 H new ATOM 0 HA THR A 442 17.583 -4.916 -4.754 1.00 0.00 H new ATOM 0 HB THR A 442 18.025 -2.439 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 442 16.823 -1.836 -7.333 1.00 0.00 H new ATOM 0 HG21 THR A 442 18.727 -3.210 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.098 -4.440 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 442 17.681 -4.639 -7.546 1.00 0.00 H new ATOM 48 N CYS A 443 15.239 -3.757 -3.156 1.00 0.00 N ATOM 49 CA CYS A 443 14.736 -3.201 -1.912 1.00 0.00 C ATOM 50 C CYS A 443 14.152 -4.287 -1.019 1.00 0.00 C ATOM 51 O CYS A 443 13.296 -5.067 -1.441 1.00 0.00 O ATOM 52 CB CYS A 443 13.674 -2.172 -2.285 1.00 0.00 C ATOM 53 SG CYS A 443 14.268 -0.834 -3.353 1.00 0.00 S ATOM 0 H CYS A 443 14.553 -4.338 -3.638 1.00 0.00 H new ATOM 0 HA CYS A 443 15.544 -2.737 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 443 12.852 -2.682 -2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.270 -1.738 -1.371 1.00 0.00 H new ATOM 58 N ILE A 444 14.619 -4.348 0.229 1.00 0.00 N ATOM 59 CA ILE A 444 14.172 -5.326 1.201 1.00 0.00 C ATOM 60 C ILE A 444 13.392 -4.541 2.244 1.00 0.00 C ATOM 61 O ILE A 444 13.942 -4.047 3.226 1.00 0.00 O ATOM 62 CB ILE A 444 15.345 -6.161 1.748 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.219 -6.811 0.646 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.807 -7.224 2.721 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.473 -7.712 -0.350 1.00 0.00 C ATOM 0 H ILE A 444 15.327 -3.708 0.590 1.00 0.00 H new ATOM 0 HA ILE A 444 13.520 -6.085 0.768 1.00 0.00 H new ATOM 0 HB ILE A 444 16.007 -5.473 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.717 -6.018 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.999 -7.401 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.636 -7.815 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.293 -6.734 3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.109 -7.877 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.179 -8.114 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.998 -8.533 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.712 -7.129 -0.868 1.00 0.00 H new ATOM 77 N TYR A 445 12.103 -4.342 1.998 1.00 0.00 N ATOM 78 CA TYR A 445 11.245 -3.612 2.917 1.00 0.00 C ATOM 79 C TYR A 445 10.556 -4.597 3.866 1.00 0.00 C ATOM 80 O TYR A 445 10.649 -5.819 3.700 1.00 0.00 O ATOM 81 CB TYR A 445 10.168 -2.808 2.173 1.00 0.00 C ATOM 82 CG TYR A 445 10.396 -2.419 0.723 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.180 -3.381 -0.278 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.668 -1.085 0.358 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.226 -3.023 -1.631 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.718 -0.718 -0.999 1.00 0.00 C ATOM 87 CZ TYR A 445 10.487 -1.687 -2.005 1.00 0.00 C ATOM 88 OH TYR A 445 10.530 -1.370 -3.329 1.00 0.00 O ATOM 0 H TYR A 445 11.627 -4.680 1.161 1.00 0.00 H new ATOM 0 HA TYR A 445 11.873 -2.916 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.243 -3.383 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.999 -1.890 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 445 9.977 -4.405 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.839 -0.342 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.061 -3.772 -2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.933 0.304 -1.274 1.00 0.00 H new ATOM 0 HH TYR A 445 9.933 -1.966 -3.828 1.00 0.00 H new ATOM 98 N SER A 446 9.862 -4.064 4.867 1.00 0.00 N ATOM 99 CA SER A 446 9.101 -4.851 5.825 1.00 0.00 C ATOM 100 C SER A 446 7.749 -5.223 5.201 1.00 0.00 C ATOM 101 O SER A 446 7.368 -4.735 4.124 1.00 0.00 O ATOM 102 CB SER A 446 8.881 -4.033 7.102 1.00 0.00 C ATOM 103 OG SER A 446 8.289 -2.786 6.809 1.00 0.00 O ATOM 0 H SER A 446 9.813 -3.059 5.036 1.00 0.00 H new ATOM 0 HA SER A 446 9.648 -5.759 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.244 -4.590 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 446 9.834 -3.877 7.607 1.00 0.00 H new ATOM 0 HG SER A 446 8.012 -2.352 7.643 1.00 0.00 H new ATOM 109 N ASN A 447 7.014 -6.110 5.872 1.00 0.00 N ATOM 110 CA ASN A 447 5.704 -6.525 5.407 1.00 0.00 C ATOM 111 C ASN A 447 4.771 -5.328 5.547 1.00 0.00 C ATOM 112 O ASN A 447 4.749 -4.705 6.608 1.00 0.00 O ATOM 113 CB ASN A 447 5.179 -7.716 6.211 1.00 0.00 C ATOM 114 CG ASN A 447 3.732 -8.047 5.853 1.00 0.00 C ATOM 115 OD1 ASN A 447 2.910 -8.281 6.735 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.379 -8.085 4.577 1.00 0.00 N ATOM 0 H ASN A 447 7.311 -6.552 6.742 1.00 0.00 H new ATOM 0 HA ASN A 447 5.762 -6.850 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.808 -8.586 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.249 -7.495 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.418 -8.310 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 447 4.068 -7.889 3.851 1.00 0.00 H new ATOM 123 N TRP A 448 4.020 -5.015 4.492 1.00 0.00 N ATOM 124 CA TRP A 448 3.087 -3.902 4.458 1.00 0.00 C ATOM 125 C TRP A 448 2.219 -3.835 5.704 1.00 0.00 C ATOM 126 O TRP A 448 1.514 -4.800 6.022 1.00 0.00 O ATOM 127 CB TRP A 448 2.179 -4.002 3.232 1.00 0.00 C ATOM 128 CG TRP A 448 2.823 -3.610 1.950 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.073 -4.407 0.889 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.239 -2.276 1.561 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.618 -3.652 -0.128 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.794 -2.342 0.253 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.152 -1.011 2.176 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.347 -1.222 -0.374 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.683 0.119 1.540 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.339 0.004 0.310 1.00 0.00 C ATOM 0 H TRP A 448 4.048 -5.543 3.620 1.00 0.00 H new ATOM 0 HA TRP A 448 3.689 -2.995 4.410 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.821 -5.028 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.304 -3.371 3.392 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.877 -5.468 0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.860 -4.019 -1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.675 -0.912 3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.772 -1.298 -1.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.585 1.089 2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.841 0.861 -0.115 1.00 0.00 H new ATOM 147 N SER A 449 2.288 -2.688 6.378 1.00 0.00 N ATOM 148 CA SER A 449 1.515 -2.401 7.569 1.00 0.00 C ATOM 149 C SER A 449 0.022 -2.358 7.167 1.00 0.00 C ATOM 150 O SER A 449 -0.310 -2.379 5.972 1.00 0.00 O ATOM 151 CB SER A 449 2.060 -1.094 8.160 1.00 0.00 C ATOM 152 OG SER A 449 3.453 -1.204 8.430 1.00 0.00 O ATOM 0 H SER A 449 2.899 -1.920 6.099 1.00 0.00 H new ATOM 0 HA SER A 449 1.600 -3.161 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.883 -0.274 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.525 -0.854 9.079 1.00 0.00 H new ATOM 0 HG SER A 449 3.781 -0.360 8.804 1.00 0.00 H new ATOM 158 N PRO A 450 -0.918 -2.364 8.122 1.00 0.00 N ATOM 159 CA PRO A 450 -2.338 -2.347 7.811 1.00 0.00 C ATOM 160 C PRO A 450 -2.726 -1.004 7.215 1.00 0.00 C ATOM 161 O PRO A 450 -2.052 0.014 7.402 1.00 0.00 O ATOM 162 CB PRO A 450 -3.065 -2.658 9.119 1.00 0.00 C ATOM 163 CG PRO A 450 -2.083 -2.186 10.182 1.00 0.00 C ATOM 164 CD PRO A 450 -0.707 -2.345 9.554 1.00 0.00 C ATOM 0 HA PRO A 450 -2.611 -3.088 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.016 -2.130 9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.283 -3.722 9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.272 -1.149 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.172 -2.780 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.051 -1.523 9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.230 -3.266 9.890 1.00 0.00 H new ATOM 172 N TRP A 451 -3.808 -1.018 6.446 1.00 0.00 N ATOM 173 CA TRP A 451 -4.313 0.181 5.817 1.00 0.00 C ATOM 174 C TRP A 451 -4.808 1.136 6.897 1.00 0.00 C ATOM 175 O TRP A 451 -5.138 0.717 8.009 1.00 0.00 O ATOM 176 CB TRP A 451 -5.458 -0.210 4.882 1.00 0.00 C ATOM 177 CG TRP A 451 -5.047 -1.014 3.687 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.267 -2.331 3.487 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.358 -0.548 2.496 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.763 -2.708 2.256 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.188 -1.639 1.599 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.870 0.704 2.089 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.535 -1.483 0.369 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.213 0.877 0.863 1.00 0.00 C ATOM 185 CH2 TRP A 451 -3.021 -0.221 0.018 1.00 0.00 C ATOM 0 H TRP A 451 -4.352 -1.858 6.246 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.531 0.677 5.242 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.194 -0.780 5.450 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.954 0.698 4.538 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.762 -2.991 4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.810 -3.655 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.004 1.557 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.427 -2.322 -0.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.856 1.854 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.477 -0.100 -0.907 1.00 0.00 H new ATOM 196 N SER A 452 -4.848 2.423 6.571 1.00 0.00 N ATOM 197 CA SER A 452 -5.322 3.444 7.493 1.00 0.00 C ATOM 198 C SER A 452 -6.838 3.264 7.571 1.00 0.00 C ATOM 199 O SER A 452 -7.380 2.693 8.524 1.00 0.00 O ATOM 200 CB SER A 452 -4.887 4.839 7.009 1.00 0.00 C ATOM 201 OG SER A 452 -4.965 4.939 5.595 1.00 0.00 O ATOM 0 H SER A 452 -4.554 2.785 5.664 1.00 0.00 H new ATOM 0 HA SER A 452 -4.895 3.347 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.521 5.599 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.866 5.038 7.335 1.00 0.00 H new ATOM 0 HG SER A 452 -4.166 4.537 5.194 1.00 0.00 H new ATOM 207 N ALA A 453 -7.513 3.710 6.518 1.00 0.00 N ATOM 208 CA ALA A 453 -8.938 3.652 6.303 1.00 0.00 C ATOM 209 C ALA A 453 -9.173 3.829 4.806 1.00 0.00 C ATOM 210 O ALA A 453 -8.273 4.244 4.063 1.00 0.00 O ATOM 211 CB ALA A 453 -9.626 4.777 7.082 1.00 0.00 C ATOM 0 H ALA A 453 -7.032 4.155 5.736 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.348 2.703 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.702 4.729 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.417 4.663 8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.249 5.740 6.739 1.00 0.00 H new ATOM 217 N CYS A 454 -10.364 3.458 4.347 1.00 0.00 N ATOM 218 CA CYS A 454 -10.739 3.609 2.953 1.00 0.00 C ATOM 219 C CYS A 454 -11.236 5.045 2.882 1.00 0.00 C ATOM 220 O CYS A 454 -12.200 5.376 3.567 1.00 0.00 O ATOM 221 CB CYS A 454 -11.763 2.535 2.551 1.00 0.00 C ATOM 222 SG CYS A 454 -11.060 0.873 2.810 1.00 0.00 S ATOM 0 H CYS A 454 -11.091 3.046 4.932 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.932 3.454 2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.673 2.650 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.043 2.661 1.505 1.00 0.00 H new ATOM 227 N SER A 455 -10.558 5.898 2.110 1.00 0.00 N ATOM 228 CA SER A 455 -10.885 7.313 1.938 1.00 0.00 C ATOM 229 C SER A 455 -12.387 7.497 1.686 1.00 0.00 C ATOM 230 O SER A 455 -12.962 8.488 2.148 1.00 0.00 O ATOM 231 CB SER A 455 -9.890 7.984 0.979 1.00 0.00 C ATOM 232 OG SER A 455 -10.366 9.182 0.388 1.00 0.00 O ATOM 0 H SER A 455 -9.741 5.612 1.571 1.00 0.00 H new ATOM 0 HA SER A 455 -10.737 7.877 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.970 8.201 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 455 -9.634 7.279 0.188 1.00 0.00 H new ATOM 0 HG SER A 455 -9.679 9.549 -0.206 1.00 0.00 H new ATOM 238 N SER A 456 -13.016 6.578 0.946 1.00 0.00 N ATOM 239 CA SER A 456 -14.448 6.610 0.735 1.00 0.00 C ATOM 240 C SER A 456 -14.986 5.905 1.972 1.00 0.00 C ATOM 241 O SER A 456 -14.802 4.694 2.091 1.00 0.00 O ATOM 242 CB SER A 456 -14.884 5.856 -0.522 1.00 0.00 C ATOM 243 OG SER A 456 -14.751 6.710 -1.632 1.00 0.00 O ATOM 0 H SER A 456 -12.542 5.801 0.484 1.00 0.00 H new ATOM 0 HA SER A 456 -14.812 7.627 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.273 4.963 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.917 5.524 -0.423 1.00 0.00 H new ATOM 0 HG SER A 456 -15.026 6.236 -2.444 1.00 0.00 H new ATOM 249 N SER A 457 -15.554 6.653 2.914 1.00 0.00 N ATOM 250 CA SER A 457 -16.135 6.124 4.142 1.00 0.00 C ATOM 251 C SER A 457 -17.457 5.386 3.861 1.00 0.00 C ATOM 252 O SER A 457 -18.033 4.780 4.772 1.00 0.00 O ATOM 253 CB SER A 457 -16.339 7.281 5.128 1.00 0.00 C ATOM 254 OG SER A 457 -16.911 8.424 4.510 1.00 0.00 O ATOM 0 H SER A 457 -15.624 7.668 2.842 1.00 0.00 H new ATOM 0 HA SER A 457 -15.455 5.393 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 457 -16.983 6.951 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 457 -15.380 7.552 5.570 1.00 0.00 H new ATOM 0 HG SER A 457 -17.024 9.134 5.176 1.00 0.00 H new ATOM 260 N THR A 458 -17.924 5.398 2.610 1.00 0.00 N ATOM 261 CA THR A 458 -19.151 4.770 2.145 1.00 0.00 C ATOM 262 C THR A 458 -18.835 3.717 1.087 1.00 0.00 C ATOM 263 O THR A 458 -17.707 3.669 0.599 1.00 0.00 O ATOM 264 CB THR A 458 -20.069 5.874 1.610 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.404 6.675 0.645 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.515 6.751 2.775 1.00 0.00 C ATOM 0 H THR A 458 -17.425 5.873 1.858 1.00 0.00 H new ATOM 0 HA THR A 458 -19.659 4.250 2.958 1.00 0.00 H new ATOM 0 HB THR A 458 -20.929 5.409 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.014 7.370 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.169 7.541 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.054 6.144 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.641 7.196 3.251 1.00 0.00 H new ATOM 274 N CYS A 459 -19.822 2.907 0.685 1.00 0.00 N ATOM 275 CA CYS A 459 -19.693 1.831 -0.307 1.00 0.00 C ATOM 276 C CYS A 459 -19.197 2.273 -1.704 1.00 0.00 C ATOM 277 O CYS A 459 -19.173 1.477 -2.643 1.00 0.00 O ATOM 278 CB CYS A 459 -21.025 1.061 -0.337 1.00 0.00 C ATOM 279 SG CYS A 459 -21.100 -0.607 -1.064 1.00 0.00 S ATOM 0 H CYS A 459 -20.769 2.986 1.056 1.00 0.00 H new ATOM 0 HA CYS A 459 -18.886 1.170 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.376 0.982 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.745 1.680 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 459 -22.314 -1.063 -0.979 1.00 0.00 H new ATOM 284 N GLU A 460 -18.873 3.550 -1.891 1.00 0.00 N ATOM 285 CA GLU A 460 -18.356 4.114 -3.123 1.00 0.00 C ATOM 286 C GLU A 460 -16.903 3.670 -3.305 1.00 0.00 C ATOM 287 O GLU A 460 -16.222 3.288 -2.351 1.00 0.00 O ATOM 288 CB GLU A 460 -18.410 5.645 -3.019 1.00 0.00 C ATOM 289 CG GLU A 460 -19.690 6.172 -3.664 1.00 0.00 C ATOM 290 CD GLU A 460 -19.631 6.037 -5.180 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.764 6.688 -5.807 1.00 0.00 O ATOM 292 OE2 GLU A 460 -20.394 5.220 -5.740 1.00 0.00 O ATOM 0 H GLU A 460 -18.970 4.246 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.950 3.776 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.370 5.947 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.540 6.081 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.549 5.622 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -19.834 7.218 -3.393 1.00 0.00 H new ATOM 299 N LYS A 461 -16.410 3.724 -4.542 1.00 0.00 N ATOM 300 CA LYS A 461 -15.030 3.328 -4.824 1.00 0.00 C ATOM 301 C LYS A 461 -14.083 4.467 -4.475 1.00 0.00 C ATOM 302 O LYS A 461 -14.141 5.546 -5.083 1.00 0.00 O ATOM 303 CB LYS A 461 -14.844 2.877 -6.283 1.00 0.00 C ATOM 304 CG LYS A 461 -15.210 1.398 -6.485 1.00 0.00 C ATOM 305 CD LYS A 461 -14.093 0.430 -6.056 1.00 0.00 C ATOM 306 CE LYS A 461 -14.525 -1.045 -5.985 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.122 -1.568 -7.230 1.00 0.00 N ATOM 0 H LYS A 461 -16.939 4.035 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.793 2.467 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.463 3.495 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.808 3.037 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.113 1.174 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.444 1.229 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.262 0.520 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.720 0.735 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -13.657 -1.653 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.245 -1.161 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -15.384 -2.566 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -15.971 -1.015 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.432 -1.492 -8.004 1.00 0.00 H new ATOM 321 N GLY A 462 -13.198 4.202 -3.524 1.00 0.00 N ATOM 322 CA GLY A 462 -12.182 5.100 -3.015 1.00 0.00 C ATOM 323 C GLY A 462 -10.840 4.391 -2.960 1.00 0.00 C ATOM 324 O GLY A 462 -10.651 3.343 -3.580 1.00 0.00 O ATOM 0 H GLY A 462 -13.173 3.294 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.111 5.981 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.459 5.449 -2.020 1.00 0.00 H new ATOM 328 N LYS A 463 -9.893 4.936 -2.197 1.00 0.00 N ATOM 329 CA LYS A 463 -8.546 4.389 -2.043 1.00 0.00 C ATOM 330 C LYS A 463 -8.138 4.335 -0.586 1.00 0.00 C ATOM 331 O LYS A 463 -8.755 4.985 0.251 1.00 0.00 O ATOM 332 CB LYS A 463 -7.546 5.305 -2.778 1.00 0.00 C ATOM 333 CG LYS A 463 -7.678 5.337 -4.308 1.00 0.00 C ATOM 334 CD LYS A 463 -6.545 4.566 -4.994 1.00 0.00 C ATOM 335 CE LYS A 463 -6.615 4.762 -6.517 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.760 4.069 -7.155 1.00 0.00 N ATOM 0 H LYS A 463 -10.044 5.788 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.542 3.380 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.665 6.320 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.535 4.986 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.637 4.909 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.674 6.371 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.581 4.912 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.619 3.506 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -6.680 5.828 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -5.689 4.401 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.745 4.244 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -7.690 3.047 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -8.650 4.429 -6.756 1.00 0.00 H new ATOM 350 N ARG A 464 -7.131 3.528 -0.265 1.00 0.00 N ATOM 351 CA ARG A 464 -6.578 3.416 1.070 1.00 0.00 C ATOM 352 C ARG A 464 -5.124 3.838 0.961 1.00 0.00 C ATOM 353 O ARG A 464 -4.518 3.688 -0.100 1.00 0.00 O ATOM 354 CB ARG A 464 -6.605 1.984 1.554 1.00 0.00 C ATOM 355 CG ARG A 464 -7.991 1.396 1.617 1.00 0.00 C ATOM 356 CD ARG A 464 -7.872 -0.113 1.724 1.00 0.00 C ATOM 357 NE ARG A 464 -7.519 -0.778 0.456 1.00 0.00 N ATOM 358 CZ ARG A 464 -7.602 -2.099 0.252 1.00 0.00 C ATOM 359 NH1 ARG A 464 -7.938 -2.936 1.227 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.393 -2.591 -0.958 1.00 0.00 N ATOM 0 H ARG A 464 -6.671 2.923 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.155 4.027 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.990 1.374 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.153 1.935 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.532 1.795 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.558 1.669 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.117 -0.356 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.818 -0.517 2.083 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.191 -0.195 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.141 -2.577 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -7.993 -3.938 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.170 -1.965 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.455 -3.597 -1.117 1.00 0.00 H new ATOM 374 N MET A 465 -4.539 4.190 2.097 1.00 0.00 N ATOM 375 CA MET A 465 -3.166 4.634 2.245 1.00 0.00 C ATOM 376 C MET A 465 -2.476 3.706 3.253 1.00 0.00 C ATOM 377 O MET A 465 -3.020 3.523 4.350 1.00 0.00 O ATOM 378 CB MET A 465 -3.281 6.094 2.716 1.00 0.00 C ATOM 379 CG MET A 465 -1.965 6.786 3.042 1.00 0.00 C ATOM 380 SD MET A 465 -2.138 8.389 3.863 1.00 0.00 S ATOM 381 CE MET A 465 -2.923 9.409 2.581 1.00 0.00 C ATOM 0 H MET A 465 -5.039 4.171 2.986 1.00 0.00 H new ATOM 0 HA MET A 465 -2.564 4.594 1.337 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.790 6.668 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.915 6.122 3.602 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.372 6.129 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.404 6.925 2.118 1.00 0.00 H new ATOM 0 HE1 MET A 465 -3.081 10.417 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.277 9.452 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 465 -3.882 8.971 2.304 1.00 0.00 H new ATOM 391 N ARG A 466 -1.356 3.059 2.890 1.00 0.00 N ATOM 392 CA ARG A 466 -0.582 2.162 3.769 1.00 0.00 C ATOM 393 C ARG A 466 0.894 2.475 3.632 1.00 0.00 C ATOM 394 O ARG A 466 1.307 3.057 2.624 1.00 0.00 O ATOM 395 CB ARG A 466 -0.779 0.661 3.461 1.00 0.00 C ATOM 396 CG ARG A 466 -0.200 0.216 2.106 1.00 0.00 C ATOM 397 CD ARG A 466 -0.447 -1.273 1.872 1.00 0.00 C ATOM 398 NE ARG A 466 -0.007 -1.671 0.528 1.00 0.00 N ATOM 399 CZ ARG A 466 0.134 -2.906 0.040 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.171 -3.992 0.741 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.535 -3.066 -1.211 1.00 0.00 N ATOM 0 H ARG A 466 -0.953 3.146 1.957 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.949 2.341 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.313 0.074 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.845 0.434 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.656 0.795 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.870 0.420 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.087 -1.857 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.508 -1.493 1.992 1.00 0.00 H new ATOM 0 HE ARG A 466 0.219 -0.909 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.529 -3.901 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.048 -4.917 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.733 -2.251 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.646 -4.004 -1.595 1.00 0.00 H new ATOM 415 N GLN A 467 1.695 2.031 4.589 1.00 0.00 N ATOM 416 CA GLN A 467 3.127 2.224 4.575 1.00 0.00 C ATOM 417 C GLN A 467 3.834 0.982 5.110 1.00 0.00 C ATOM 418 O GLN A 467 3.216 -0.009 5.498 1.00 0.00 O ATOM 419 CB GLN A 467 3.528 3.538 5.261 1.00 0.00 C ATOM 420 CG GLN A 467 3.444 3.590 6.790 1.00 0.00 C ATOM 421 CD GLN A 467 4.092 4.876 7.313 1.00 0.00 C ATOM 422 OE1 GLN A 467 4.966 5.464 6.674 1.00 0.00 O ATOM 423 NE2 GLN A 467 3.692 5.339 8.482 1.00 0.00 N ATOM 0 H GLN A 467 1.359 1.520 5.405 1.00 0.00 H new ATOM 0 HA GLN A 467 3.467 2.341 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.553 3.769 4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 467 2.897 4.332 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.402 3.545 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.945 2.722 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 467 2.968 4.846 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 467 4.107 6.189 8.863 1.00 0.00 H new ATOM 432 N ARG A 468 5.154 1.043 5.093 1.00 0.00 N ATOM 433 CA ARG A 468 6.102 0.033 5.546 1.00 0.00 C ATOM 434 C ARG A 468 7.380 0.778 5.955 1.00 0.00 C ATOM 435 O ARG A 468 7.412 2.014 5.977 1.00 0.00 O ATOM 436 CB ARG A 468 6.332 -1.000 4.419 1.00 0.00 C ATOM 437 CG ARG A 468 6.965 -0.308 3.204 1.00 0.00 C ATOM 438 CD ARG A 468 7.185 -1.046 1.888 1.00 0.00 C ATOM 439 NE ARG A 468 6.809 -2.437 2.013 1.00 0.00 N ATOM 440 CZ ARG A 468 6.838 -3.353 1.050 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.060 -3.002 -0.204 1.00 0.00 N ATOM 442 NH2 ARG A 468 6.686 -4.630 1.355 1.00 0.00 N ATOM 0 H ARG A 468 5.633 1.868 4.732 1.00 0.00 H new ATOM 0 HA ARG A 468 5.735 -0.532 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.982 -1.800 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.385 -1.460 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.348 0.562 2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.938 0.065 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 468 6.599 -0.575 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 468 8.232 -0.972 1.594 1.00 0.00 H new ATOM 0 HE ARG A 468 6.490 -2.746 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.211 -2.021 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.080 -3.712 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 468 6.547 -4.909 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 468 6.708 -5.336 0.619 1.00 0.00 H new ATOM 456 N MET A 469 8.439 0.031 6.237 1.00 0.00 N ATOM 457 CA MET A 469 9.754 0.504 6.630 1.00 0.00 C ATOM 458 C MET A 469 10.780 -0.195 5.733 1.00 0.00 C ATOM 459 O MET A 469 10.555 -1.325 5.291 1.00 0.00 O ATOM 460 CB MET A 469 9.949 0.149 8.115 1.00 0.00 C ATOM 461 CG MET A 469 11.362 0.414 8.637 1.00 0.00 C ATOM 462 SD MET A 469 11.956 2.118 8.532 1.00 0.00 S ATOM 463 CE MET A 469 10.907 2.860 9.804 1.00 0.00 C ATOM 0 H MET A 469 8.397 -0.987 6.194 1.00 0.00 H new ATOM 0 HA MET A 469 9.870 1.582 6.515 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.239 0.722 8.711 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.710 -0.905 8.261 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.404 0.102 9.681 1.00 0.00 H new ATOM 0 HG3 MET A 469 12.054 -0.223 8.086 1.00 0.00 H new ATOM 0 HE1 MET A 469 11.215 3.892 9.974 1.00 0.00 H new ATOM 0 HE2 MET A 469 9.868 2.841 9.475 1.00 0.00 H new ATOM 0 HE3 MET A 469 11.005 2.295 10.731 1.00 0.00 H new ATOM 473 N LEU A 470 11.887 0.475 5.407 1.00 0.00 N ATOM 474 CA LEU A 470 12.942 -0.110 4.585 1.00 0.00 C ATOM 475 C LEU A 470 13.845 -0.859 5.569 1.00 0.00 C ATOM 476 O LEU A 470 14.415 -0.234 6.467 1.00 0.00 O ATOM 477 CB LEU A 470 13.659 0.983 3.765 1.00 0.00 C ATOM 478 CG LEU A 470 14.663 0.480 2.704 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.967 -0.012 3.323 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.084 -0.613 1.795 1.00 0.00 C ATOM 0 H LEU A 470 12.075 1.432 5.704 1.00 0.00 H new ATOM 0 HA LEU A 470 12.571 -0.804 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.904 1.589 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.188 1.640 4.455 1.00 0.00 H new ATOM 0 HG LEU A 470 14.875 1.354 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.637 -0.354 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.439 0.802 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.758 -0.836 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.839 -0.923 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.787 -1.470 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.214 -0.223 1.266 1.00 0.00 H new ATOM 492 N LYS A 471 13.893 -2.193 5.490 1.00 0.00 N ATOM 493 CA LYS A 471 14.710 -3.030 6.373 1.00 0.00 C ATOM 494 C LYS A 471 16.156 -3.076 5.889 1.00 0.00 C ATOM 495 O LYS A 471 17.075 -2.999 6.704 1.00 0.00 O ATOM 496 CB LYS A 471 14.127 -4.447 6.460 1.00 0.00 C ATOM 497 CG LYS A 471 12.889 -4.556 7.357 1.00 0.00 C ATOM 498 CD LYS A 471 12.239 -5.940 7.188 1.00 0.00 C ATOM 499 CE LYS A 471 13.178 -7.073 7.618 1.00 0.00 C ATOM 500 NZ LYS A 471 12.651 -8.408 7.271 1.00 0.00 N ATOM 0 H LYS A 471 13.360 -2.727 4.804 1.00 0.00 H new ATOM 0 HA LYS A 471 14.698 -2.589 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.867 -4.785 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.896 -5.123 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.170 -4.401 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.173 -3.775 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.323 -5.985 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.954 -6.082 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.149 -6.935 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.339 -7.018 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.323 -9.138 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 11.736 -8.554 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.522 -8.473 6.241 1.00 0.00 H new ATOM 514 N ALA A 472 16.368 -3.277 4.592 1.00 0.00 N ATOM 515 CA ALA A 472 17.661 -3.325 3.929 1.00 0.00 C ATOM 516 C ALA A 472 17.444 -3.003 2.447 1.00 0.00 C ATOM 517 O ALA A 472 16.311 -2.918 1.976 1.00 0.00 O ATOM 518 CB ALA A 472 18.287 -4.711 4.108 1.00 0.00 C ATOM 0 H ALA A 472 15.596 -3.419 3.941 1.00 0.00 H new ATOM 0 HA ALA A 472 18.346 -2.596 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.256 -4.740 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.420 -4.916 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.632 -5.465 3.672 1.00 0.00 H new ATOM 524 N GLN A 473 18.522 -2.813 1.700 1.00 0.00 N ATOM 525 CA GLN A 473 18.500 -2.508 0.276 1.00 0.00 C ATOM 526 C GLN A 473 19.760 -3.117 -0.323 1.00 0.00 C ATOM 527 O GLN A 473 20.781 -3.230 0.365 1.00 0.00 O ATOM 528 CB GLN A 473 18.395 -0.988 0.067 1.00 0.00 C ATOM 529 CG GLN A 473 19.576 -0.212 0.672 1.00 0.00 C ATOM 530 CD GLN A 473 19.237 1.256 0.904 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.654 1.605 1.927 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.607 2.163 0.026 1.00 0.00 N ATOM 0 H GLN A 473 19.467 -2.869 2.080 1.00 0.00 H new ATOM 0 HA GLN A 473 17.631 -2.933 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.339 -0.777 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.467 -0.630 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 473 19.865 -0.671 1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.436 -0.284 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 473 20.092 1.880 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.409 3.149 0.197 1.00 0.00 H new ATOM 541 N LEU A 474 19.685 -3.554 -1.578 1.00 0.00 N ATOM 542 CA LEU A 474 20.829 -4.163 -2.247 1.00 0.00 C ATOM 543 C LEU A 474 21.823 -3.100 -2.702 1.00 0.00 C ATOM 544 O LEU A 474 22.990 -3.422 -2.895 1.00 0.00 O ATOM 545 CB LEU A 474 20.400 -5.048 -3.425 1.00 0.00 C ATOM 546 CG LEU A 474 19.393 -6.167 -3.085 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.327 -7.152 -4.257 1.00 0.00 C ATOM 548 CD2 LEU A 474 19.701 -6.948 -1.801 1.00 0.00 C ATOM 0 H LEU A 474 18.843 -3.497 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 474 21.323 -4.807 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.963 -4.411 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.291 -5.504 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 474 18.441 -5.665 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.618 -7.946 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.003 -6.627 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 474 20.313 -7.584 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 474 18.938 -7.711 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 474 20.678 -7.424 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 474 19.706 -6.265 -0.952 1.00 0.00 H new ATOM 560 N ASP A 475 21.386 -1.850 -2.848 1.00 0.00 N ATOM 561 CA ASP A 475 22.209 -0.724 -3.266 1.00 0.00 C ATOM 562 C ASP A 475 22.098 0.327 -2.169 1.00 0.00 C ATOM 563 O ASP A 475 21.062 0.978 -2.049 1.00 0.00 O ATOM 564 CB ASP A 475 21.720 -0.201 -4.622 1.00 0.00 C ATOM 565 CG ASP A 475 22.588 0.935 -5.170 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.201 1.697 -4.393 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.707 1.006 -6.415 1.00 0.00 O ATOM 0 H ASP A 475 20.416 -1.588 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 475 23.254 -1.005 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.709 -1.021 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.693 0.149 -4.522 1.00 0.00 H new ATOM 572 N LEU A 476 23.110 0.459 -1.306 1.00 0.00 N ATOM 573 CA LEU A 476 23.063 1.445 -0.223 1.00 0.00 C ATOM 574 C LEU A 476 23.028 2.888 -0.726 1.00 0.00 C ATOM 575 O LEU A 476 22.481 3.752 -0.032 1.00 0.00 O ATOM 576 CB LEU A 476 24.232 1.253 0.761 1.00 0.00 C ATOM 577 CG LEU A 476 23.890 0.432 2.016 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.868 1.140 2.918 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.403 -0.978 1.676 1.00 0.00 C ATOM 0 H LEU A 476 23.964 -0.099 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 476 22.124 1.266 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.053 0.764 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.591 2.234 1.072 1.00 0.00 H new ATOM 0 HG LEU A 476 24.825 0.342 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.661 0.519 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.272 2.099 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.945 1.305 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.175 -1.516 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.505 -0.914 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.181 -1.510 1.128 1.00 0.00 H new ATOM 591 N SER A 477 23.607 3.155 -1.895 1.00 0.00 N ATOM 592 CA SER A 477 23.647 4.482 -2.480 1.00 0.00 C ATOM 593 C SER A 477 22.313 4.915 -3.058 1.00 0.00 C ATOM 594 O SER A 477 22.040 6.116 -3.110 1.00 0.00 O ATOM 595 CB SER A 477 24.745 4.543 -3.544 1.00 0.00 C ATOM 596 OG SER A 477 26.003 4.223 -2.964 1.00 0.00 O ATOM 0 H SER A 477 24.065 2.444 -2.465 1.00 0.00 H new ATOM 0 HA SER A 477 23.873 5.184 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.520 3.846 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.781 5.540 -3.984 1.00 0.00 H new ATOM 0 HG SER A 477 26.700 4.263 -3.652 1.00 0.00 H new ATOM 602 N VAL A 478 21.450 3.979 -3.416 1.00 0.00 N ATOM 603 CA VAL A 478 20.157 4.263 -4.002 1.00 0.00 C ATOM 604 C VAL A 478 19.087 3.855 -2.991 1.00 0.00 C ATOM 605 O VAL A 478 18.875 2.663 -2.778 1.00 0.00 O ATOM 606 CB VAL A 478 20.101 3.506 -5.325 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.722 3.609 -5.989 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.148 4.042 -6.306 1.00 0.00 C ATOM 0 H VAL A 478 21.635 2.982 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 478 19.986 5.317 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 478 20.305 2.462 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.728 3.055 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.966 3.189 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.490 4.656 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.088 3.486 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.959 5.098 -6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.143 3.924 -5.877 1.00 0.00 H new ATOM 618 N PRO A 479 18.432 4.811 -2.315 1.00 0.00 N ATOM 619 CA PRO A 479 17.414 4.493 -1.334 1.00 0.00 C ATOM 620 C PRO A 479 16.189 3.865 -1.983 1.00 0.00 C ATOM 621 O PRO A 479 16.008 3.885 -3.202 1.00 0.00 O ATOM 622 CB PRO A 479 17.081 5.817 -0.656 1.00 0.00 C ATOM 623 CG PRO A 479 17.368 6.851 -1.740 1.00 0.00 C ATOM 624 CD PRO A 479 18.569 6.252 -2.460 1.00 0.00 C ATOM 0 HA PRO A 479 17.765 3.754 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 479 16.041 5.852 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.696 5.981 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.518 6.983 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.595 7.829 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.580 6.541 -3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.504 6.603 -2.023 1.00 0.00 H new ATOM 632 N CYS A 480 15.302 3.353 -1.132 1.00 0.00 N ATOM 633 CA CYS A 480 14.067 2.719 -1.545 1.00 0.00 C ATOM 634 C CYS A 480 12.883 3.411 -0.874 1.00 0.00 C ATOM 635 O CYS A 480 12.246 2.817 -0.003 1.00 0.00 O ATOM 636 CB CYS A 480 14.146 1.229 -1.209 1.00 0.00 C ATOM 637 SG CYS A 480 15.403 0.276 -2.092 1.00 0.00 S ATOM 0 H CYS A 480 15.430 3.371 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 480 13.920 2.814 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.329 1.129 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.173 0.781 -1.409 1.00 0.00 H new ATOM 642 N PRO A 481 12.543 4.643 -1.294 1.00 0.00 N ATOM 643 CA PRO A 481 11.432 5.421 -0.748 1.00 0.00 C ATOM 644 C PRO A 481 10.047 4.821 -1.015 1.00 0.00 C ATOM 645 O PRO A 481 9.057 5.428 -0.613 1.00 0.00 O ATOM 646 CB PRO A 481 11.542 6.802 -1.397 1.00 0.00 C ATOM 647 CG PRO A 481 12.248 6.507 -2.716 1.00 0.00 C ATOM 648 CD PRO A 481 13.235 5.428 -2.310 1.00 0.00 C ATOM 0 HA PRO A 481 11.512 5.444 0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.562 7.252 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 481 12.114 7.494 -0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.554 6.159 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.749 7.388 -3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.516 4.810 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 481 14.153 5.862 -1.915 1.00 0.00 H new ATOM 656 N ASP A 482 9.921 3.668 -1.682 1.00 0.00 N ATOM 657 CA ASP A 482 8.644 3.002 -1.979 1.00 0.00 C ATOM 658 C ASP A 482 8.083 2.325 -0.717 1.00 0.00 C ATOM 659 O ASP A 482 7.671 1.160 -0.717 1.00 0.00 O ATOM 660 CB ASP A 482 8.804 1.980 -3.113 1.00 0.00 C ATOM 661 CG ASP A 482 8.984 2.573 -4.500 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.569 3.725 -4.745 1.00 0.00 O ATOM 663 OD2 ASP A 482 9.517 1.835 -5.360 1.00 0.00 O ATOM 0 H ASP A 482 10.727 3.156 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 482 7.936 3.762 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.664 1.348 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.927 1.333 -3.123 1.00 0.00 H new ATOM 668 N THR A 483 8.100 3.038 0.400 1.00 0.00 N ATOM 669 CA THR A 483 7.629 2.608 1.691 1.00 0.00 C ATOM 670 C THR A 483 6.178 3.025 1.903 1.00 0.00 C ATOM 671 O THR A 483 5.677 2.828 3.003 1.00 0.00 O ATOM 672 CB THR A 483 8.601 3.147 2.761 1.00 0.00 C ATOM 673 OG1 THR A 483 8.922 4.509 2.516 1.00 0.00 O ATOM 674 CG2 THR A 483 9.897 2.323 2.762 1.00 0.00 C ATOM 0 H THR A 483 8.467 3.989 0.421 1.00 0.00 H new ATOM 0 HA THR A 483 7.623 1.521 1.766 1.00 0.00 H new ATOM 0 HB THR A 483 8.109 3.065 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.538 4.829 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.575 2.713 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.665 1.281 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.371 2.390 1.783 1.00 0.00 H new ATOM 682 N GLN A 484 5.485 3.557 0.893 1.00 0.00 N ATOM 683 CA GLN A 484 4.093 3.982 0.970 1.00 0.00 C ATOM 684 C GLN A 484 3.392 3.468 -0.289 1.00 0.00 C ATOM 685 O GLN A 484 3.974 3.493 -1.376 1.00 0.00 O ATOM 686 CB GLN A 484 3.996 5.508 1.186 1.00 0.00 C ATOM 687 CG GLN A 484 4.868 5.928 2.382 1.00 0.00 C ATOM 688 CD GLN A 484 4.583 7.297 2.992 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.487 8.301 2.290 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.533 7.384 4.316 1.00 0.00 N ATOM 0 H GLN A 484 5.895 3.707 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 484 3.583 3.558 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.321 6.032 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.959 5.793 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 484 4.756 5.177 3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.911 5.907 2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.614 6.542 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.413 8.293 4.763 1.00 0.00 H new ATOM 699 N ASP A 485 2.171 2.951 -0.145 1.00 0.00 N ATOM 700 CA ASP A 485 1.368 2.408 -1.249 1.00 0.00 C ATOM 701 C ASP A 485 -0.104 2.788 -1.113 1.00 0.00 C ATOM 702 O ASP A 485 -0.559 3.140 -0.019 1.00 0.00 O ATOM 703 CB ASP A 485 1.519 0.890 -1.321 1.00 0.00 C ATOM 704 CG ASP A 485 0.747 0.288 -2.498 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.933 0.732 -3.651 1.00 0.00 O ATOM 706 OD2 ASP A 485 -0.099 -0.599 -2.258 1.00 0.00 O ATOM 0 H ASP A 485 1.701 2.895 0.758 1.00 0.00 H new ATOM 0 HA ASP A 485 1.740 2.846 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.575 0.635 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.164 0.447 -0.391 1.00 0.00 H new ATOM 711 N PHE A 486 -0.844 2.691 -2.224 1.00 0.00 N ATOM 712 CA PHE A 486 -2.252 3.029 -2.327 1.00 0.00 C ATOM 713 C PHE A 486 -3.005 2.056 -3.239 1.00 0.00 C ATOM 714 O PHE A 486 -2.672 1.962 -4.420 1.00 0.00 O ATOM 715 CB PHE A 486 -2.359 4.448 -2.917 1.00 0.00 C ATOM 716 CG PHE A 486 -1.779 5.547 -2.051 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.385 5.760 -1.958 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.658 6.341 -1.303 1.00 0.00 C ATOM 719 CE1 PHE A 486 0.137 6.704 -1.057 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.135 7.325 -0.448 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.745 7.507 -0.317 1.00 0.00 C ATOM 0 H PHE A 486 -0.454 2.361 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.699 2.971 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.854 4.463 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.410 4.669 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.286 5.192 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.726 6.198 -1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.205 6.810 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.809 7.951 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.358 8.262 0.351 1.00 0.00 H new ATOM 731 N GLN A 487 -4.006 1.335 -2.723 1.00 0.00 N ATOM 732 CA GLN A 487 -4.841 0.395 -3.485 1.00 0.00 C ATOM 733 C GLN A 487 -6.309 0.829 -3.298 1.00 0.00 C ATOM 734 O GLN A 487 -6.655 1.341 -2.222 1.00 0.00 O ATOM 735 CB GLN A 487 -4.715 -1.071 -3.008 1.00 0.00 C ATOM 736 CG GLN A 487 -3.379 -1.804 -3.135 1.00 0.00 C ATOM 737 CD GLN A 487 -2.809 -1.689 -4.526 1.00 0.00 C ATOM 738 OE1 GLN A 487 -3.346 -2.243 -5.485 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.720 -0.965 -4.657 1.00 0.00 N ATOM 0 H GLN A 487 -4.266 1.389 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.510 0.425 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.999 -1.095 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.458 -1.654 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -2.669 -1.394 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.516 -2.856 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.302 -0.520 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.293 -0.848 -5.576 1.00 0.00 H new ATOM 748 N PRO A 488 -7.201 0.606 -4.283 1.00 0.00 N ATOM 749 CA PRO A 488 -8.606 0.983 -4.172 1.00 0.00 C ATOM 750 C PRO A 488 -9.325 0.156 -3.103 1.00 0.00 C ATOM 751 O PRO A 488 -8.865 -0.926 -2.719 1.00 0.00 O ATOM 752 CB PRO A 488 -9.223 0.790 -5.559 1.00 0.00 C ATOM 753 CG PRO A 488 -8.347 -0.301 -6.156 1.00 0.00 C ATOM 754 CD PRO A 488 -6.959 0.013 -5.590 1.00 0.00 C ATOM 0 HA PRO A 488 -8.707 2.020 -3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.268 0.485 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.191 1.706 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.686 -1.295 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.353 -0.271 -7.246 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.355 -0.891 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.416 0.700 -6.239 1.00 0.00 H new ATOM 762 N CYS A 489 -10.455 0.670 -2.623 1.00 0.00 N ATOM 763 CA CYS A 489 -11.324 0.084 -1.611 1.00 0.00 C ATOM 764 C CYS A 489 -12.702 0.743 -1.703 1.00 0.00 C ATOM 765 O CYS A 489 -12.965 1.555 -2.589 1.00 0.00 O ATOM 766 CB CYS A 489 -10.714 0.388 -0.232 1.00 0.00 C ATOM 767 SG CYS A 489 -11.514 -0.337 1.230 1.00 0.00 S ATOM 0 H CYS A 489 -10.810 1.567 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.421 -0.992 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.676 0.055 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.700 1.470 -0.104 1.00 0.00 H new ATOM 772 N MET A 490 -13.585 0.377 -0.783 1.00 0.00 N ATOM 773 CA MET A 490 -14.932 0.859 -0.583 1.00 0.00 C ATOM 774 C MET A 490 -15.081 0.942 0.933 1.00 0.00 C ATOM 775 O MET A 490 -14.513 0.116 1.655 1.00 0.00 O ATOM 776 CB MET A 490 -15.972 -0.083 -1.196 1.00 0.00 C ATOM 777 CG MET A 490 -15.827 -0.218 -2.717 1.00 0.00 C ATOM 778 SD MET A 490 -16.982 -1.366 -3.521 1.00 0.00 S ATOM 779 CE MET A 490 -16.460 -2.929 -2.766 1.00 0.00 C ATOM 0 H MET A 490 -13.345 -0.336 -0.094 1.00 0.00 H new ATOM 0 HA MET A 490 -15.099 1.819 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.879 -1.068 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 490 -16.971 0.284 -0.962 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.954 0.768 -3.164 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.810 -0.541 -2.939 1.00 0.00 H new ATOM 0 HE1 MET A 490 -16.888 -3.763 -3.322 1.00 0.00 H new ATOM 0 HE2 MET A 490 -15.372 -2.998 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 490 -16.805 -2.967 -1.733 1.00 0.00 H new ATOM 789 N GLY A 491 -15.799 1.937 1.427 1.00 0.00 N ATOM 790 CA GLY A 491 -16.018 2.139 2.854 1.00 0.00 C ATOM 791 C GLY A 491 -16.688 0.952 3.543 1.00 0.00 C ATOM 792 O GLY A 491 -17.173 0.041 2.868 1.00 0.00 O ATOM 0 H GLY A 491 -16.253 2.638 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.060 2.335 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -16.634 3.027 2.997 1.00 0.00 H new