USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=16 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 465 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 1.2: A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 456 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 445 TYR OH : rot -98:sc= 0.16 USER MOD Single : A 446 SER OG : rot -95:sc= 0.284 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot -78:sc= 0.728 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+ -176:sc= 0 (180deg=-0.00958) USER MOD Single : A 463 LYS NZ :NH3+ 171:sc= 0.201 (180deg=0.188) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.228 X(o=0.23,f=-0.11) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 487 GLN : amide:sc= 0.127 X(o=0.13,f=-0.23) USER MOD Single : A 490 MET CE :methyl 175:sc= 0 (180deg=-0.0283) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 15.083 -4.945 -6.728 1.00 0.00 N ATOM 20 CA GLU A 441 15.908 -6.063 -6.271 1.00 0.00 C ATOM 21 C GLU A 441 16.950 -5.591 -5.251 1.00 0.00 C ATOM 22 O GLU A 441 17.384 -6.346 -4.382 1.00 0.00 O ATOM 23 CB GLU A 441 16.554 -6.743 -7.487 1.00 0.00 C ATOM 24 CG GLU A 441 17.590 -5.872 -8.218 1.00 0.00 C ATOM 25 CD GLU A 441 17.794 -6.326 -9.666 1.00 0.00 C ATOM 26 OE1 GLU A 441 18.063 -7.521 -9.923 1.00 0.00 O ATOM 27 OE2 GLU A 441 17.656 -5.489 -10.584 1.00 0.00 O ATOM 0 HA GLU A 441 15.283 -6.796 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 441 17.036 -7.665 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 441 15.771 -7.025 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 441 17.264 -4.832 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 441 18.541 -5.914 -7.686 1.00 0.00 H new ATOM 34 N THR A 442 17.326 -4.319 -5.333 1.00 0.00 N ATOM 35 CA THR A 442 18.278 -3.634 -4.481 1.00 0.00 C ATOM 36 C THR A 442 17.648 -3.257 -3.131 1.00 0.00 C ATOM 37 O THR A 442 18.310 -2.606 -2.324 1.00 0.00 O ATOM 38 CB THR A 442 18.744 -2.371 -5.238 1.00 0.00 C ATOM 39 OG1 THR A 442 17.611 -1.742 -5.816 1.00 0.00 O ATOM 40 CG2 THR A 442 19.719 -2.722 -6.368 1.00 0.00 C ATOM 0 H THR A 442 16.944 -3.701 -6.048 1.00 0.00 H new ATOM 0 HA THR A 442 19.123 -4.286 -4.261 1.00 0.00 H new ATOM 0 HB THR A 442 19.248 -1.716 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.894 -0.937 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.027 -1.810 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.596 -3.218 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.229 -3.388 -7.078 1.00 0.00 H new ATOM 48 N CYS A 443 16.405 -3.666 -2.850 1.00 0.00 N ATOM 49 CA CYS A 443 15.690 -3.340 -1.624 1.00 0.00 C ATOM 50 C CYS A 443 15.041 -4.562 -0.975 1.00 0.00 C ATOM 51 O CYS A 443 14.604 -5.495 -1.659 1.00 0.00 O ATOM 52 CB CYS A 443 14.613 -2.322 -2.012 1.00 0.00 C ATOM 53 SG CYS A 443 15.237 -0.798 -2.772 1.00 0.00 S ATOM 0 H CYS A 443 15.861 -4.246 -3.488 1.00 0.00 H new ATOM 0 HA CYS A 443 16.390 -2.946 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.918 -2.797 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.045 -2.059 -1.120 1.00 0.00 H new ATOM 58 N ILE A 444 14.926 -4.518 0.355 1.00 0.00 N ATOM 59 CA ILE A 444 14.342 -5.525 1.234 1.00 0.00 C ATOM 60 C ILE A 444 13.412 -4.750 2.161 1.00 0.00 C ATOM 61 O ILE A 444 13.854 -4.030 3.058 1.00 0.00 O ATOM 62 CB ILE A 444 15.422 -6.321 1.999 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.442 -7.017 1.073 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.760 -7.350 2.932 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.842 -8.108 0.177 1.00 0.00 C ATOM 0 H ILE A 444 15.266 -3.714 0.882 1.00 0.00 H new ATOM 0 HA ILE A 444 13.796 -6.286 0.676 1.00 0.00 H new ATOM 0 HB ILE A 444 15.985 -5.595 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.914 -6.264 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.228 -7.458 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.531 -7.905 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.122 -6.833 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.158 -8.041 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.627 -8.544 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.395 -8.884 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 444 15.076 -7.672 -0.465 1.00 0.00 H new ATOM 77 N TYR A 445 12.113 -4.851 1.918 1.00 0.00 N ATOM 78 CA TYR A 445 11.081 -4.171 2.689 1.00 0.00 C ATOM 79 C TYR A 445 10.400 -5.176 3.632 1.00 0.00 C ATOM 80 O TYR A 445 10.450 -6.385 3.411 1.00 0.00 O ATOM 81 CB TYR A 445 10.058 -3.569 1.712 1.00 0.00 C ATOM 82 CG TYR A 445 10.571 -2.882 0.458 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.920 -3.668 -0.654 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.585 -1.474 0.353 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.323 -3.058 -1.847 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.966 -0.855 -0.857 1.00 0.00 C ATOM 87 CZ TYR A 445 11.342 -1.657 -1.963 1.00 0.00 C ATOM 88 OH TYR A 445 11.730 -1.134 -3.156 1.00 0.00 O ATOM 0 H TYR A 445 11.738 -5.422 1.161 1.00 0.00 H new ATOM 0 HA TYR A 445 11.518 -3.375 3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.386 -4.369 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.458 -2.846 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.877 -4.745 -0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.303 -0.868 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.622 -3.669 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.971 0.222 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 445 12.676 -0.881 -3.110 1.00 0.00 H new ATOM 98 N SER A 446 9.795 -4.689 4.714 1.00 0.00 N ATOM 99 CA SER A 446 9.068 -5.477 5.696 1.00 0.00 C ATOM 100 C SER A 446 7.688 -5.844 5.134 1.00 0.00 C ATOM 101 O SER A 446 7.291 -5.372 4.060 1.00 0.00 O ATOM 102 CB SER A 446 8.919 -4.630 6.974 1.00 0.00 C ATOM 103 OG SER A 446 8.418 -3.328 6.708 1.00 0.00 O ATOM 0 H SER A 446 9.801 -3.693 4.935 1.00 0.00 H new ATOM 0 HA SER A 446 9.604 -6.398 5.925 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.249 -5.139 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 446 9.887 -4.549 7.468 1.00 0.00 H new ATOM 0 HG SER A 446 9.166 -2.700 6.625 1.00 0.00 H new ATOM 109 N ASN A 447 6.934 -6.678 5.857 1.00 0.00 N ATOM 110 CA ASN A 447 5.592 -7.070 5.446 1.00 0.00 C ATOM 111 C ASN A 447 4.753 -5.797 5.433 1.00 0.00 C ATOM 112 O ASN A 447 4.801 -5.050 6.415 1.00 0.00 O ATOM 113 CB ASN A 447 5.001 -8.071 6.451 1.00 0.00 C ATOM 114 CG ASN A 447 5.336 -9.502 6.089 1.00 0.00 C ATOM 115 OD1 ASN A 447 6.276 -10.092 6.611 1.00 0.00 O ATOM 116 ND2 ASN A 447 4.590 -10.109 5.182 1.00 0.00 N ATOM 0 H ASN A 447 7.238 -7.095 6.737 1.00 0.00 H new ATOM 0 HA ASN A 447 5.607 -7.548 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.381 -7.851 7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 447 3.918 -7.950 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 447 4.795 -11.072 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.809 -9.615 4.750 1.00 0.00 H new ATOM 123 N TRP A 448 4.019 -5.533 4.349 1.00 0.00 N ATOM 124 CA TRP A 448 3.169 -4.357 4.221 1.00 0.00 C ATOM 125 C TRP A 448 2.259 -4.206 5.433 1.00 0.00 C ATOM 126 O TRP A 448 1.503 -5.129 5.742 1.00 0.00 O ATOM 127 CB TRP A 448 2.270 -4.443 2.983 1.00 0.00 C ATOM 128 CG TRP A 448 2.887 -4.086 1.676 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.177 -4.930 0.662 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.243 -2.754 1.211 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.690 -4.209 -0.399 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.771 -2.865 -0.105 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.193 -1.466 1.788 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.262 -1.752 -0.798 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.706 -0.347 1.112 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.266 -0.498 -0.165 1.00 0.00 C ATOM 0 H TRP A 448 4.001 -6.139 3.529 1.00 0.00 H new ATOM 0 HA TRP A 448 3.840 -3.503 4.136 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.888 -5.462 2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.411 -3.791 3.142 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.031 -6.000 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.973 -4.620 -1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.753 -1.339 2.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.633 -1.856 -1.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.669 0.628 1.575 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.703 0.354 -0.664 1.00 0.00 H new ATOM 147 N SER A 449 2.352 -3.060 6.102 1.00 0.00 N ATOM 148 CA SER A 449 1.530 -2.745 7.254 1.00 0.00 C ATOM 149 C SER A 449 0.068 -2.577 6.813 1.00 0.00 C ATOM 150 O SER A 449 -0.201 -2.436 5.612 1.00 0.00 O ATOM 151 CB SER A 449 2.069 -1.450 7.853 1.00 0.00 C ATOM 152 OG SER A 449 3.254 -1.709 8.578 1.00 0.00 O ATOM 0 H SER A 449 3.008 -2.320 5.853 1.00 0.00 H new ATOM 0 HA SER A 449 1.564 -3.543 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 449 2.268 -0.728 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.321 -1.004 8.509 1.00 0.00 H new ATOM 0 HG SER A 449 3.595 -0.872 8.958 1.00 0.00 H new ATOM 158 N PRO A 450 -0.877 -2.545 7.765 1.00 0.00 N ATOM 159 CA PRO A 450 -2.293 -2.396 7.467 1.00 0.00 C ATOM 160 C PRO A 450 -2.607 -1.071 6.771 1.00 0.00 C ATOM 161 O PRO A 450 -1.835 -0.103 6.797 1.00 0.00 O ATOM 162 CB PRO A 450 -3.015 -2.525 8.812 1.00 0.00 C ATOM 163 CG PRO A 450 -1.946 -2.129 9.826 1.00 0.00 C ATOM 164 CD PRO A 450 -0.684 -2.702 9.197 1.00 0.00 C ATOM 0 HA PRO A 450 -2.626 -3.159 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.883 -1.869 8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.372 -3.541 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -1.884 -1.048 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.140 -2.554 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.204 -2.169 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.549 -3.750 9.465 1.00 0.00 H new ATOM 172 N TRP A 451 -3.759 -1.054 6.111 1.00 0.00 N ATOM 173 CA TRP A 451 -4.253 0.092 5.384 1.00 0.00 C ATOM 174 C TRP A 451 -4.920 1.085 6.325 1.00 0.00 C ATOM 175 O TRP A 451 -5.492 0.694 7.346 1.00 0.00 O ATOM 176 CB TRP A 451 -5.317 -0.393 4.407 1.00 0.00 C ATOM 177 CG TRP A 451 -4.836 -1.230 3.265 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.981 -2.565 3.141 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.149 -0.799 2.060 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.456 -2.983 1.934 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.913 -1.931 1.231 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.699 0.446 1.593 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.238 -1.830 0.007 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.047 0.570 0.357 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.785 -0.570 -0.422 1.00 0.00 C ATOM 0 H TRP A 451 -4.384 -1.859 6.070 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.417 0.575 4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.057 -0.968 4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.830 0.478 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.439 -3.211 3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.469 -3.948 1.605 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.858 1.327 2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.068 -2.708 -0.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.745 1.545 0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.237 -0.478 -1.348 1.00 0.00 H new ATOM 196 N SER A 452 -4.853 2.368 5.980 1.00 0.00 N ATOM 197 CA SER A 452 -5.486 3.408 6.754 1.00 0.00 C ATOM 198 C SER A 452 -6.936 3.514 6.282 1.00 0.00 C ATOM 199 O SER A 452 -7.329 2.902 5.280 1.00 0.00 O ATOM 200 CB SER A 452 -4.719 4.722 6.572 1.00 0.00 C ATOM 201 OG SER A 452 -4.541 5.031 5.200 1.00 0.00 O ATOM 0 H SER A 452 -4.357 2.706 5.155 1.00 0.00 H new ATOM 0 HA SER A 452 -5.476 3.180 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.260 5.532 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.747 4.648 7.059 1.00 0.00 H new ATOM 0 HG SER A 452 -3.809 4.491 4.835 1.00 0.00 H new ATOM 207 N ALA A 453 -7.691 4.353 6.984 1.00 0.00 N ATOM 208 CA ALA A 453 -9.090 4.645 6.743 1.00 0.00 C ATOM 209 C ALA A 453 -9.316 4.932 5.261 1.00 0.00 C ATOM 210 O ALA A 453 -8.701 5.851 4.709 1.00 0.00 O ATOM 211 CB ALA A 453 -9.469 5.849 7.599 1.00 0.00 C ATOM 0 H ALA A 453 -7.318 4.873 7.778 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.715 3.793 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.519 6.093 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.308 5.613 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.851 6.703 7.320 1.00 0.00 H new ATOM 217 N CYS A 454 -10.150 4.130 4.603 1.00 0.00 N ATOM 218 CA CYS A 454 -10.456 4.280 3.192 1.00 0.00 C ATOM 219 C CYS A 454 -10.951 5.697 2.944 1.00 0.00 C ATOM 220 O CYS A 454 -11.776 6.205 3.705 1.00 0.00 O ATOM 221 CB CYS A 454 -11.455 3.205 2.758 1.00 0.00 C ATOM 222 SG CYS A 454 -10.955 1.524 3.215 1.00 0.00 S ATOM 0 H CYS A 454 -10.636 3.350 5.045 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.565 4.134 2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.425 3.421 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.584 3.256 1.677 1.00 0.00 H new ATOM 227 N SER A 455 -10.447 6.316 1.874 1.00 0.00 N ATOM 228 CA SER A 455 -10.805 7.677 1.492 1.00 0.00 C ATOM 229 C SER A 455 -12.328 7.787 1.393 1.00 0.00 C ATOM 230 O SER A 455 -12.880 8.833 1.740 1.00 0.00 O ATOM 231 CB SER A 455 -10.048 8.100 0.224 1.00 0.00 C ATOM 232 OG SER A 455 -10.127 9.499 0.033 1.00 0.00 O ATOM 0 H SER A 455 -9.773 5.880 1.245 1.00 0.00 H new ATOM 0 HA SER A 455 -10.493 8.389 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.004 7.798 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.465 7.586 -0.642 1.00 0.00 H new ATOM 0 HG SER A 455 -9.637 9.747 -0.779 1.00 0.00 H new ATOM 238 N SER A 456 -13.005 6.730 0.925 1.00 0.00 N ATOM 239 CA SER A 456 -14.459 6.764 0.868 1.00 0.00 C ATOM 240 C SER A 456 -14.925 6.236 2.215 1.00 0.00 C ATOM 241 O SER A 456 -14.639 5.085 2.581 1.00 0.00 O ATOM 242 CB SER A 456 -15.064 5.940 -0.263 1.00 0.00 C ATOM 243 OG SER A 456 -16.222 6.571 -0.749 1.00 0.00 O ATOM 0 H SER A 456 -12.577 5.866 0.591 1.00 0.00 H new ATOM 0 HA SER A 456 -14.789 7.782 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.338 5.823 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.307 4.939 0.094 1.00 0.00 H new ATOM 0 HG SER A 456 -16.250 6.497 -1.726 1.00 0.00 H new ATOM 249 N SER A 457 -15.603 7.093 2.960 1.00 0.00 N ATOM 250 CA SER A 457 -16.165 6.825 4.272 1.00 0.00 C ATOM 251 C SER A 457 -17.642 6.429 4.134 1.00 0.00 C ATOM 252 O SER A 457 -18.426 6.590 5.072 1.00 0.00 O ATOM 253 CB SER A 457 -15.912 8.052 5.143 1.00 0.00 C ATOM 254 OG SER A 457 -14.516 8.220 5.341 1.00 0.00 O ATOM 0 H SER A 457 -15.786 8.047 2.648 1.00 0.00 H new ATOM 0 HA SER A 457 -15.690 5.976 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 457 -16.331 8.939 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 457 -16.414 7.937 6.104 1.00 0.00 H new ATOM 0 HG SER A 457 -14.357 9.010 5.899 1.00 0.00 H new ATOM 260 N THR A 458 -18.022 5.934 2.957 1.00 0.00 N ATOM 261 CA THR A 458 -19.334 5.462 2.547 1.00 0.00 C ATOM 262 C THR A 458 -19.102 4.252 1.630 1.00 0.00 C ATOM 263 O THR A 458 -17.958 3.955 1.264 1.00 0.00 O ATOM 264 CB THR A 458 -20.110 6.577 1.819 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.334 7.076 0.747 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.508 7.740 2.732 1.00 0.00 C ATOM 0 H THR A 458 -17.349 5.847 2.196 1.00 0.00 H new ATOM 0 HA THR A 458 -19.937 5.177 3.409 1.00 0.00 H new ATOM 0 HB THR A 458 -21.033 6.124 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.831 7.783 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.051 8.488 2.153 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.145 7.370 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.612 8.191 3.158 1.00 0.00 H new ATOM 274 N CYS A 459 -20.171 3.567 1.221 1.00 0.00 N ATOM 275 CA CYS A 459 -20.124 2.400 0.344 1.00 0.00 C ATOM 276 C CYS A 459 -19.523 2.728 -1.035 1.00 0.00 C ATOM 277 O CYS A 459 -19.205 1.812 -1.798 1.00 0.00 O ATOM 278 CB CYS A 459 -21.537 1.801 0.253 1.00 0.00 C ATOM 279 SG CYS A 459 -21.759 0.216 -0.603 1.00 0.00 S ATOM 0 H CYS A 459 -21.120 3.817 1.500 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.452 1.654 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.912 1.683 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -22.176 2.535 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 459 -23.014 -0.122 -0.572 1.00 0.00 H new ATOM 284 N GLU A 460 -19.380 4.010 -1.395 1.00 0.00 N ATOM 285 CA GLU A 460 -18.784 4.371 -2.674 1.00 0.00 C ATOM 286 C GLU A 460 -17.327 3.892 -2.657 1.00 0.00 C ATOM 287 O GLU A 460 -16.690 3.781 -1.601 1.00 0.00 O ATOM 288 CB GLU A 460 -18.881 5.882 -2.939 1.00 0.00 C ATOM 289 CG GLU A 460 -20.343 6.309 -3.130 1.00 0.00 C ATOM 290 CD GLU A 460 -20.538 7.704 -3.743 1.00 0.00 C ATOM 291 OE1 GLU A 460 -19.560 8.410 -4.075 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.714 8.078 -3.974 1.00 0.00 O ATOM 0 H GLU A 460 -19.668 4.802 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.327 3.891 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.443 6.431 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -18.304 6.138 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.839 5.577 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.843 6.281 -2.162 1.00 0.00 H new ATOM 299 N LYS A 461 -16.785 3.569 -3.826 1.00 0.00 N ATOM 300 CA LYS A 461 -15.412 3.102 -3.933 1.00 0.00 C ATOM 301 C LYS A 461 -14.466 4.220 -3.510 1.00 0.00 C ATOM 302 O LYS A 461 -14.743 5.405 -3.709 1.00 0.00 O ATOM 303 CB LYS A 461 -15.146 2.642 -5.367 1.00 0.00 C ATOM 304 CG LYS A 461 -15.712 1.236 -5.636 1.00 0.00 C ATOM 305 CD LYS A 461 -14.750 0.095 -5.263 1.00 0.00 C ATOM 306 CE LYS A 461 -13.393 0.157 -5.977 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.520 0.222 -7.447 1.00 0.00 N ATOM 0 H LYS A 461 -17.280 3.623 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.243 2.252 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.592 3.352 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -14.072 2.643 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.639 1.115 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.966 1.153 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.582 0.114 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.227 -0.857 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -12.843 1.030 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -12.805 -0.720 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -12.574 0.194 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -14.079 -0.588 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.997 1.106 -7.715 1.00 0.00 H new ATOM 321 N GLY A 462 -13.331 3.846 -2.934 1.00 0.00 N ATOM 322 CA GLY A 462 -12.315 4.760 -2.473 1.00 0.00 C ATOM 323 C GLY A 462 -10.964 4.100 -2.514 1.00 0.00 C ATOM 324 O GLY A 462 -10.826 2.938 -2.898 1.00 0.00 O ATOM 0 H GLY A 462 -13.093 2.867 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.310 5.654 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.540 5.082 -1.456 1.00 0.00 H new ATOM 328 N LYS A 463 -9.965 4.844 -2.064 1.00 0.00 N ATOM 329 CA LYS A 463 -8.576 4.419 -2.018 1.00 0.00 C ATOM 330 C LYS A 463 -8.034 4.489 -0.600 1.00 0.00 C ATOM 331 O LYS A 463 -8.440 5.333 0.192 1.00 0.00 O ATOM 332 CB LYS A 463 -7.781 5.287 -3.019 1.00 0.00 C ATOM 333 CG LYS A 463 -7.721 4.582 -4.385 1.00 0.00 C ATOM 334 CD LYS A 463 -6.643 5.186 -5.289 1.00 0.00 C ATOM 335 CE LYS A 463 -6.352 4.242 -6.462 1.00 0.00 C ATOM 336 NZ LYS A 463 -5.053 3.541 -6.337 1.00 0.00 N ATOM 0 H LYS A 463 -10.104 5.790 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.478 3.374 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -8.254 6.263 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.772 5.460 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.520 3.521 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.691 4.657 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.973 6.155 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.732 5.359 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.151 3.504 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.362 4.813 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -4.981 2.810 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -4.277 4.224 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -4.988 3.096 -5.399 1.00 0.00 H new ATOM 350 N ARG A 464 -7.157 3.547 -0.266 1.00 0.00 N ATOM 351 CA ARG A 464 -6.483 3.420 1.019 1.00 0.00 C ATOM 352 C ARG A 464 -5.013 3.768 0.864 1.00 0.00 C ATOM 353 O ARG A 464 -4.508 3.800 -0.258 1.00 0.00 O ATOM 354 CB ARG A 464 -6.557 1.961 1.455 1.00 0.00 C ATOM 355 CG ARG A 464 -7.994 1.513 1.609 1.00 0.00 C ATOM 356 CD ARG A 464 -8.069 0.045 1.982 1.00 0.00 C ATOM 357 NE ARG A 464 -7.770 -0.879 0.877 1.00 0.00 N ATOM 358 CZ ARG A 464 -7.761 -2.216 0.988 1.00 0.00 C ATOM 359 NH1 ARG A 464 -7.969 -2.817 2.160 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.560 -2.947 -0.097 1.00 0.00 N ATOM 0 H ARG A 464 -6.884 2.814 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 464 -6.956 4.084 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.053 1.332 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.029 1.833 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.485 2.112 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.533 1.683 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.372 -0.146 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.068 -0.171 2.360 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.555 -0.476 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.140 -2.259 2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -7.958 -3.835 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.415 -2.492 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.550 -3.965 -0.032 1.00 0.00 H new ATOM 374 N MET A 465 -4.299 3.921 1.976 1.00 0.00 N ATOM 375 CA MET A 465 -2.882 4.240 1.965 1.00 0.00 C ATOM 376 C MET A 465 -2.189 3.344 2.993 1.00 0.00 C ATOM 377 O MET A 465 -2.693 3.130 4.099 1.00 0.00 O ATOM 378 CB MET A 465 -2.756 5.744 2.241 1.00 0.00 C ATOM 379 CG MET A 465 -1.331 6.286 2.365 1.00 0.00 C ATOM 380 SD MET A 465 -1.318 8.075 2.673 1.00 0.00 S ATOM 381 CE MET A 465 0.431 8.382 2.986 1.00 0.00 C ATOM 0 H MET A 465 -4.693 3.826 2.912 1.00 0.00 H new ATOM 0 HA MET A 465 -2.393 4.046 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.260 6.284 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.291 5.970 3.163 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.816 5.773 3.177 1.00 0.00 H new ATOM 0 HG3 MET A 465 -0.779 6.070 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 465 0.541 9.295 3.570 1.00 0.00 H new ATOM 0 HE2 MET A 465 0.854 7.544 3.540 1.00 0.00 H new ATOM 0 HE3 MET A 465 0.956 8.493 2.037 1.00 0.00 H new ATOM 391 N ARG A 466 -1.073 2.721 2.615 1.00 0.00 N ATOM 392 CA ARG A 466 -0.285 1.858 3.498 1.00 0.00 C ATOM 393 C ARG A 466 1.159 2.287 3.351 1.00 0.00 C ATOM 394 O ARG A 466 1.516 2.903 2.343 1.00 0.00 O ATOM 395 CB ARG A 466 -0.501 0.360 3.230 1.00 0.00 C ATOM 396 CG ARG A 466 -0.043 -0.107 1.845 1.00 0.00 C ATOM 397 CD ARG A 466 -0.289 -1.614 1.763 1.00 0.00 C ATOM 398 NE ARG A 466 0.017 -2.158 0.438 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.158 -3.426 0.060 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.509 -4.374 0.922 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.000 -3.744 -1.212 1.00 0.00 N ATOM 0 H ARG A 466 -0.685 2.802 1.675 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.611 1.978 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 466 0.033 -0.213 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.561 0.132 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.595 0.415 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.013 0.118 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.322 -2.120 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.330 -1.823 2.007 1.00 0.00 H new ATOM 0 HE ARG A 466 0.396 -1.513 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.653 -4.142 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.635 -5.334 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.252 -3.025 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 466 -0.130 -4.709 -1.516 1.00 0.00 H new ATOM 415 N GLN A 467 1.974 1.994 4.353 1.00 0.00 N ATOM 416 CA GLN A 467 3.375 2.357 4.349 1.00 0.00 C ATOM 417 C GLN A 467 4.164 1.289 5.077 1.00 0.00 C ATOM 418 O GLN A 467 3.729 0.810 6.126 1.00 0.00 O ATOM 419 CB GLN A 467 3.576 3.747 4.982 1.00 0.00 C ATOM 420 CG GLN A 467 2.959 3.945 6.380 1.00 0.00 C ATOM 421 CD GLN A 467 2.635 5.411 6.644 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.505 6.200 6.981 1.00 0.00 O ATOM 423 NE2 GLN A 467 1.385 5.824 6.480 1.00 0.00 N ATOM 0 H GLN A 467 1.677 1.496 5.192 1.00 0.00 H new ATOM 0 HA GLN A 467 3.738 2.419 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.646 3.944 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.154 4.495 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.050 3.349 6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.651 3.582 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 467 0.662 5.162 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 467 1.147 6.804 6.635 1.00 0.00 H new ATOM 432 N ARG A 468 5.260 0.849 4.472 1.00 0.00 N ATOM 433 CA ARG A 468 6.160 -0.152 5.027 1.00 0.00 C ATOM 434 C ARG A 468 7.461 0.559 5.383 1.00 0.00 C ATOM 435 O ARG A 468 7.713 1.667 4.919 1.00 0.00 O ATOM 436 CB ARG A 468 6.259 -1.393 4.123 1.00 0.00 C ATOM 437 CG ARG A 468 6.852 -1.107 2.738 1.00 0.00 C ATOM 438 CD ARG A 468 6.744 -2.286 1.764 1.00 0.00 C ATOM 439 NE ARG A 468 7.144 -1.861 0.412 1.00 0.00 N ATOM 440 CZ ARG A 468 7.458 -2.603 -0.655 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.484 -3.934 -0.608 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.743 -1.974 -1.783 1.00 0.00 N ATOM 0 H ARG A 468 5.555 1.188 3.556 1.00 0.00 H new ATOM 0 HA ARG A 468 5.783 -0.589 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.871 -2.145 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.264 -1.821 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.345 -0.244 2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.902 -0.836 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.380 -3.105 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.721 -2.663 1.748 1.00 0.00 H new ATOM 0 HE ARG A 468 7.188 -0.852 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.260 -4.418 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.728 -4.469 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.719 -0.955 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.987 -2.508 -2.617 1.00 0.00 H new ATOM 456 N MET A 469 8.264 -0.064 6.236 1.00 0.00 N ATOM 457 CA MET A 469 9.524 0.485 6.735 1.00 0.00 C ATOM 458 C MET A 469 10.693 -0.272 6.122 1.00 0.00 C ATOM 459 O MET A 469 10.884 -1.444 6.463 1.00 0.00 O ATOM 460 CB MET A 469 9.470 0.334 8.259 1.00 0.00 C ATOM 461 CG MET A 469 10.334 1.352 9.005 1.00 0.00 C ATOM 462 SD MET A 469 9.821 3.077 8.804 1.00 0.00 S ATOM 463 CE MET A 469 10.924 3.833 10.024 1.00 0.00 C ATOM 0 H MET A 469 8.054 -0.989 6.611 1.00 0.00 H new ATOM 0 HA MET A 469 9.663 1.532 6.465 1.00 0.00 H new ATOM 0 HB2 MET A 469 8.436 0.435 8.590 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.794 -0.671 8.528 1.00 0.00 H new ATOM 0 HG2 MET A 469 10.325 1.106 10.067 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.364 1.252 8.664 1.00 0.00 H new ATOM 0 HE1 MET A 469 10.756 4.910 10.049 1.00 0.00 H new ATOM 0 HE2 MET A 469 10.721 3.412 11.009 1.00 0.00 H new ATOM 0 HE3 MET A 469 11.960 3.634 9.751 1.00 0.00 H new ATOM 473 N LEU A 470 11.399 0.288 5.139 1.00 0.00 N ATOM 474 CA LEU A 470 12.530 -0.348 4.450 1.00 0.00 C ATOM 475 C LEU A 470 13.464 -1.021 5.474 1.00 0.00 C ATOM 476 O LEU A 470 14.009 -0.347 6.348 1.00 0.00 O ATOM 477 CB LEU A 470 13.220 0.712 3.560 1.00 0.00 C ATOM 478 CG LEU A 470 14.343 0.207 2.630 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.566 -0.270 3.397 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.863 -0.881 1.665 1.00 0.00 C ATOM 0 H LEU A 470 11.196 1.224 4.788 1.00 0.00 H new ATOM 0 HA LEU A 470 12.197 -1.151 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.457 1.190 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 470 13.636 1.483 4.208 1.00 0.00 H new ATOM 0 HG LEU A 470 14.637 1.073 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.325 -0.614 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 470 15.967 0.552 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.284 -1.090 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.693 -1.200 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.491 -1.733 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.063 -0.485 1.039 1.00 0.00 H new ATOM 492 N LYS A 471 13.582 -2.355 5.425 1.00 0.00 N ATOM 493 CA LYS A 471 14.413 -3.138 6.340 1.00 0.00 C ATOM 494 C LYS A 471 15.888 -3.011 6.010 1.00 0.00 C ATOM 495 O LYS A 471 16.668 -2.694 6.913 1.00 0.00 O ATOM 496 CB LYS A 471 14.030 -4.624 6.312 1.00 0.00 C ATOM 497 CG LYS A 471 12.709 -4.904 7.025 1.00 0.00 C ATOM 498 CD LYS A 471 12.312 -6.377 6.919 1.00 0.00 C ATOM 499 CE LYS A 471 13.318 -7.250 7.668 1.00 0.00 C ATOM 500 NZ LYS A 471 13.004 -8.683 7.560 1.00 0.00 N ATOM 0 H LYS A 471 13.093 -2.926 4.736 1.00 0.00 H new ATOM 0 HA LYS A 471 14.234 -2.734 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.957 -4.957 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.822 -5.208 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 471 12.796 -4.625 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 471 11.924 -4.283 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.314 -6.523 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.270 -6.675 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.318 -7.069 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.334 -6.962 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.714 -9.234 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.061 -8.863 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 13.015 -8.966 6.559 1.00 0.00 H new ATOM 514 N ALA A 472 16.270 -3.354 4.783 1.00 0.00 N ATOM 515 CA ALA A 472 17.635 -3.291 4.294 1.00 0.00 C ATOM 516 C ALA A 472 17.628 -2.960 2.799 1.00 0.00 C ATOM 517 O ALA A 472 16.597 -3.083 2.135 1.00 0.00 O ATOM 518 CB ALA A 472 18.334 -4.630 4.541 1.00 0.00 C ATOM 0 H ALA A 472 15.612 -3.694 4.082 1.00 0.00 H new ATOM 0 HA ALA A 472 18.178 -2.510 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.359 -4.579 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.343 -4.844 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.799 -5.422 4.017 1.00 0.00 H new ATOM 524 N GLN A 473 18.772 -2.551 2.264 1.00 0.00 N ATOM 525 CA GLN A 473 18.963 -2.216 0.857 1.00 0.00 C ATOM 526 C GLN A 473 20.366 -2.708 0.491 1.00 0.00 C ATOM 527 O GLN A 473 21.243 -2.817 1.354 1.00 0.00 O ATOM 528 CB GLN A 473 18.746 -0.701 0.621 1.00 0.00 C ATOM 529 CG GLN A 473 19.910 0.147 1.146 1.00 0.00 C ATOM 530 CD GLN A 473 19.495 1.582 1.441 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.182 1.922 2.576 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.465 2.469 0.467 1.00 0.00 N ATOM 0 H GLN A 473 19.622 -2.439 2.817 1.00 0.00 H new ATOM 0 HA GLN A 473 18.233 -2.700 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.619 -0.517 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.823 -0.389 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.307 -0.308 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.715 0.148 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.724 2.195 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.183 3.430 0.661 1.00 0.00 H new ATOM 541 N LEU A 474 20.585 -3.046 -0.772 1.00 0.00 N ATOM 542 CA LEU A 474 21.868 -3.516 -1.274 1.00 0.00 C ATOM 543 C LEU A 474 22.693 -2.317 -1.728 1.00 0.00 C ATOM 544 O LEU A 474 23.916 -2.339 -1.626 1.00 0.00 O ATOM 545 CB LEU A 474 21.651 -4.470 -2.457 1.00 0.00 C ATOM 546 CG LEU A 474 21.179 -5.878 -2.045 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.767 -5.944 -1.442 1.00 0.00 C ATOM 548 CD2 LEU A 474 21.217 -6.802 -3.265 1.00 0.00 C ATOM 0 H LEU A 474 19.862 -3.000 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 474 22.395 -4.050 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.915 -4.034 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.583 -4.559 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 474 21.867 -6.190 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.529 -6.976 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.726 -5.328 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 474 19.043 -5.575 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.884 -7.799 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 474 20.559 -6.409 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 474 22.236 -6.857 -3.648 1.00 0.00 H new ATOM 560 N ASP A 475 22.025 -1.263 -2.191 1.00 0.00 N ATOM 561 CA ASP A 475 22.638 -0.041 -2.678 1.00 0.00 C ATOM 562 C ASP A 475 22.405 1.005 -1.605 1.00 0.00 C ATOM 563 O ASP A 475 21.391 1.699 -1.623 1.00 0.00 O ATOM 564 CB ASP A 475 21.998 0.387 -4.006 1.00 0.00 C ATOM 565 CG ASP A 475 22.660 -0.210 -5.240 1.00 0.00 C ATOM 566 OD1 ASP A 475 22.922 -1.429 -5.298 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.918 0.587 -6.169 1.00 0.00 O ATOM 0 H ASP A 475 21.006 -1.241 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 475 23.703 -0.177 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 475 20.946 0.101 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 475 22.033 1.474 -4.079 1.00 0.00 H new ATOM 572 N LEU A 476 23.315 1.130 -0.638 1.00 0.00 N ATOM 573 CA LEU A 476 23.149 2.113 0.436 1.00 0.00 C ATOM 574 C LEU A 476 23.088 3.541 -0.114 1.00 0.00 C ATOM 575 O LEU A 476 22.495 4.418 0.519 1.00 0.00 O ATOM 576 CB LEU A 476 24.245 1.967 1.509 1.00 0.00 C ATOM 577 CG LEU A 476 24.049 0.817 2.520 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.859 1.073 3.451 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.890 -0.565 1.875 1.00 0.00 C ATOM 0 H LEU A 476 24.166 0.570 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 476 22.193 1.910 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.202 1.824 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.312 2.904 2.062 1.00 0.00 H new ATOM 0 HG LEU A 476 24.975 0.804 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.756 0.240 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.026 1.994 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.948 1.167 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.757 -1.317 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.019 -0.563 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.781 -0.799 1.293 1.00 0.00 H new ATOM 591 N SER A 477 23.666 3.791 -1.289 1.00 0.00 N ATOM 592 CA SER A 477 23.670 5.100 -1.927 1.00 0.00 C ATOM 593 C SER A 477 22.372 5.417 -2.672 1.00 0.00 C ATOM 594 O SER A 477 22.193 6.555 -3.105 1.00 0.00 O ATOM 595 CB SER A 477 24.854 5.176 -2.894 1.00 0.00 C ATOM 596 OG SER A 477 26.051 4.783 -2.241 1.00 0.00 O ATOM 0 H SER A 477 24.151 3.075 -1.830 1.00 0.00 H new ATOM 0 HA SER A 477 23.760 5.845 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.672 4.531 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.956 6.192 -3.275 1.00 0.00 H new ATOM 0 HG SER A 477 26.800 4.835 -2.871 1.00 0.00 H new ATOM 602 N VAL A 478 21.455 4.462 -2.803 1.00 0.00 N ATOM 603 CA VAL A 478 20.201 4.644 -3.513 1.00 0.00 C ATOM 604 C VAL A 478 19.073 4.166 -2.599 1.00 0.00 C ATOM 605 O VAL A 478 18.956 2.964 -2.358 1.00 0.00 O ATOM 606 CB VAL A 478 20.283 3.870 -4.836 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.943 3.862 -5.581 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.379 4.434 -5.756 1.00 0.00 C ATOM 0 H VAL A 478 21.568 3.527 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 478 20.003 5.687 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 478 20.538 2.843 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 478 19.047 3.303 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.183 3.391 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.645 4.886 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.407 3.861 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 478 21.163 5.478 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.345 4.363 -5.256 1.00 0.00 H new ATOM 618 N PRO A 479 18.258 5.074 -2.037 1.00 0.00 N ATOM 619 CA PRO A 479 17.166 4.677 -1.168 1.00 0.00 C ATOM 620 C PRO A 479 16.081 3.933 -1.945 1.00 0.00 C ATOM 621 O PRO A 479 16.100 3.836 -3.176 1.00 0.00 O ATOM 622 CB PRO A 479 16.622 5.973 -0.570 1.00 0.00 C ATOM 623 CG PRO A 479 16.959 7.014 -1.632 1.00 0.00 C ATOM 624 CD PRO A 479 18.275 6.516 -2.222 1.00 0.00 C ATOM 0 HA PRO A 479 17.505 3.990 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.549 5.914 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.093 6.205 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.179 7.079 -2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.065 8.008 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.356 6.776 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.128 6.967 -1.716 1.00 0.00 H new ATOM 632 N CYS A 480 15.102 3.439 -1.193 1.00 0.00 N ATOM 633 CA CYS A 480 13.977 2.688 -1.702 1.00 0.00 C ATOM 634 C CYS A 480 12.681 3.464 -1.444 1.00 0.00 C ATOM 635 O CYS A 480 12.060 3.244 -0.405 1.00 0.00 O ATOM 636 CB CYS A 480 13.992 1.310 -1.037 1.00 0.00 C ATOM 637 SG CYS A 480 15.564 0.416 -1.187 1.00 0.00 S ATOM 0 H CYS A 480 15.076 3.559 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 480 14.042 2.546 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.756 1.429 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.200 0.702 -1.474 1.00 0.00 H new ATOM 642 N PRO A 481 12.250 4.344 -2.365 1.00 0.00 N ATOM 643 CA PRO A 481 11.036 5.150 -2.217 1.00 0.00 C ATOM 644 C PRO A 481 9.731 4.346 -2.241 1.00 0.00 C ATOM 645 O PRO A 481 8.668 4.908 -1.982 1.00 0.00 O ATOM 646 CB PRO A 481 11.075 6.137 -3.393 1.00 0.00 C ATOM 647 CG PRO A 481 11.826 5.344 -4.458 1.00 0.00 C ATOM 648 CD PRO A 481 12.905 4.669 -3.624 1.00 0.00 C ATOM 0 HA PRO A 481 11.033 5.629 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.074 6.416 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.593 7.060 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.184 4.621 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.247 5.989 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.283 3.773 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.757 5.331 -3.468 1.00 0.00 H new ATOM 656 N ASP A 482 9.767 3.045 -2.546 1.00 0.00 N ATOM 657 CA ASP A 482 8.577 2.192 -2.606 1.00 0.00 C ATOM 658 C ASP A 482 8.073 1.795 -1.212 1.00 0.00 C ATOM 659 O ASP A 482 7.672 0.656 -0.956 1.00 0.00 O ATOM 660 CB ASP A 482 8.823 0.988 -3.517 1.00 0.00 C ATOM 661 CG ASP A 482 8.905 1.414 -4.976 1.00 0.00 C ATOM 662 OD1 ASP A 482 7.850 1.714 -5.577 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.025 1.368 -5.535 1.00 0.00 O ATOM 0 H ASP A 482 10.633 2.550 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 482 7.769 2.773 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.749 0.492 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.019 0.262 -3.391 1.00 0.00 H new ATOM 668 N THR A 483 8.157 2.702 -0.250 1.00 0.00 N ATOM 669 CA THR A 483 7.693 2.508 1.109 1.00 0.00 C ATOM 670 C THR A 483 6.188 2.746 1.154 1.00 0.00 C ATOM 671 O THR A 483 5.608 2.485 2.199 1.00 0.00 O ATOM 672 CB THR A 483 8.465 3.455 2.052 1.00 0.00 C ATOM 673 OG1 THR A 483 8.675 4.712 1.435 1.00 0.00 O ATOM 674 CG2 THR A 483 9.832 2.854 2.397 1.00 0.00 C ATOM 0 H THR A 483 8.565 3.624 -0.403 1.00 0.00 H new ATOM 0 HA THR A 483 7.881 1.488 1.445 1.00 0.00 H new ATOM 0 HB THR A 483 7.871 3.585 2.956 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.164 5.300 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.369 3.530 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.692 1.893 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.408 2.712 1.483 1.00 0.00 H new ATOM 682 N GLN A 484 5.525 3.144 0.057 1.00 0.00 N ATOM 683 CA GLN A 484 4.095 3.427 0.019 1.00 0.00 C ATOM 684 C GLN A 484 3.386 2.716 -1.133 1.00 0.00 C ATOM 685 O GLN A 484 3.999 2.375 -2.147 1.00 0.00 O ATOM 686 CB GLN A 484 3.905 4.948 -0.130 1.00 0.00 C ATOM 687 CG GLN A 484 4.794 5.761 0.826 1.00 0.00 C ATOM 688 CD GLN A 484 4.431 7.235 0.816 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.990 8.022 0.062 1.00 0.00 O ATOM 690 NE2 GLN A 484 3.495 7.642 1.644 1.00 0.00 N ATOM 0 H GLN A 484 5.984 3.279 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 484 3.653 3.058 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.126 5.237 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.860 5.198 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 484 4.694 5.369 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.839 5.642 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 484 3.039 6.974 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.225 8.625 1.665 1.00 0.00 H new ATOM 699 N ASP A 485 2.081 2.488 -0.965 1.00 0.00 N ATOM 700 CA ASP A 485 1.208 1.849 -1.955 1.00 0.00 C ATOM 701 C ASP A 485 -0.233 2.318 -1.718 1.00 0.00 C ATOM 702 O ASP A 485 -0.590 2.611 -0.570 1.00 0.00 O ATOM 703 CB ASP A 485 1.296 0.322 -1.851 1.00 0.00 C ATOM 704 CG ASP A 485 0.571 -0.389 -2.995 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.601 0.079 -4.155 1.00 0.00 O ATOM 706 OD2 ASP A 485 -0.027 -1.462 -2.733 1.00 0.00 O ATOM 0 H ASP A 485 1.587 2.750 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 485 1.528 2.133 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.344 0.022 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.869 0.001 -0.901 1.00 0.00 H new ATOM 711 N PHE A 486 -1.073 2.336 -2.762 1.00 0.00 N ATOM 712 CA PHE A 486 -2.469 2.776 -2.716 1.00 0.00 C ATOM 713 C PHE A 486 -3.385 1.843 -3.534 1.00 0.00 C ATOM 714 O PHE A 486 -3.345 1.884 -4.764 1.00 0.00 O ATOM 715 CB PHE A 486 -2.578 4.240 -3.221 1.00 0.00 C ATOM 716 CG PHE A 486 -1.873 5.303 -2.399 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.479 5.467 -2.485 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.618 6.169 -1.575 1.00 0.00 C ATOM 719 CE1 PHE A 486 0.171 6.454 -1.728 1.00 0.00 C ATOM 720 CE2 PHE A 486 -1.969 7.176 -0.840 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.573 7.311 -0.903 1.00 0.00 C ATOM 0 H PHE A 486 -0.786 2.033 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.807 2.732 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.184 4.279 -4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.635 4.501 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.096 4.828 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.690 6.059 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.245 6.554 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.547 7.849 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.074 8.071 -0.319 1.00 0.00 H new ATOM 731 N GLN A 487 -4.206 0.996 -2.887 1.00 0.00 N ATOM 732 CA GLN A 487 -5.153 0.074 -3.528 1.00 0.00 C ATOM 733 C GLN A 487 -6.586 0.411 -3.059 1.00 0.00 C ATOM 734 O GLN A 487 -6.787 0.868 -1.923 1.00 0.00 O ATOM 735 CB GLN A 487 -4.772 -1.399 -3.273 1.00 0.00 C ATOM 736 CG GLN A 487 -4.143 -2.157 -4.455 1.00 0.00 C ATOM 737 CD GLN A 487 -3.154 -1.340 -5.281 1.00 0.00 C ATOM 738 OE1 GLN A 487 -3.461 -0.963 -6.409 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.974 -1.058 -4.765 1.00 0.00 N ATOM 0 H GLN A 487 -4.227 0.935 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 487 -5.110 0.204 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.074 -1.432 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.669 -1.935 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -3.633 -3.041 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.940 -2.508 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.738 -1.380 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.297 -0.518 -5.304 1.00 0.00 H new ATOM 748 N PRO A 488 -7.601 0.158 -3.908 1.00 0.00 N ATOM 749 CA PRO A 488 -8.997 0.469 -3.623 1.00 0.00 C ATOM 750 C PRO A 488 -9.639 -0.252 -2.432 1.00 0.00 C ATOM 751 O PRO A 488 -9.139 -1.264 -1.934 1.00 0.00 O ATOM 752 CB PRO A 488 -9.758 0.226 -4.933 1.00 0.00 C ATOM 753 CG PRO A 488 -8.885 -0.780 -5.675 1.00 0.00 C ATOM 754 CD PRO A 488 -7.473 -0.388 -5.249 1.00 0.00 C ATOM 0 HA PRO A 488 -9.049 1.505 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.757 -0.169 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.880 1.147 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.122 -1.806 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -9.015 -0.709 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.808 -1.252 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -7.049 0.348 -5.932 1.00 0.00 H new ATOM 762 N CYS A 489 -10.786 0.289 -2.010 1.00 0.00 N ATOM 763 CA CYS A 489 -11.653 -0.127 -0.912 1.00 0.00 C ATOM 764 C CYS A 489 -13.083 0.386 -1.138 1.00 0.00 C ATOM 765 O CYS A 489 -13.364 1.090 -2.111 1.00 0.00 O ATOM 766 CB CYS A 489 -11.080 0.521 0.349 1.00 0.00 C ATOM 767 SG CYS A 489 -11.909 0.268 1.945 1.00 0.00 S ATOM 0 H CYS A 489 -11.165 1.112 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.692 -1.214 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -10.053 0.173 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.035 1.596 0.172 1.00 0.00 H new ATOM 772 N MET A 490 -13.981 0.022 -0.223 1.00 0.00 N ATOM 773 CA MET A 490 -15.396 0.349 -0.104 1.00 0.00 C ATOM 774 C MET A 490 -15.630 0.551 1.399 1.00 0.00 C ATOM 775 O MET A 490 -14.983 -0.130 2.207 1.00 0.00 O ATOM 776 CB MET A 490 -16.267 -0.816 -0.583 1.00 0.00 C ATOM 777 CG MET A 490 -16.066 -1.184 -2.053 1.00 0.00 C ATOM 778 SD MET A 490 -16.264 -2.942 -2.413 1.00 0.00 S ATOM 779 CE MET A 490 -17.918 -3.292 -1.765 1.00 0.00 C ATOM 0 H MET A 490 -13.694 -0.584 0.546 1.00 0.00 H new ATOM 0 HA MET A 490 -15.652 1.223 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.054 -1.691 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.315 -0.561 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.776 -0.619 -2.657 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.068 -0.872 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.193 -4.319 -2.005 1.00 0.00 H new ATOM 0 HE2 MET A 490 -17.921 -3.159 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.638 -2.609 -2.216 1.00 0.00 H new ATOM 789 N GLY A 491 -16.537 1.453 1.783 1.00 0.00 N ATOM 790 CA GLY A 491 -16.837 1.730 3.186 1.00 0.00 C ATOM 791 C GLY A 491 -17.386 0.515 3.945 1.00 0.00 C ATOM 792 O GLY A 491 -17.654 -0.532 3.347 1.00 0.00 O ATOM 0 H GLY A 491 -17.084 2.011 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.931 2.079 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.563 2.541 3.241 1.00 0.00 H new