USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 467 GLN : amide:sc= 0.567 K(o=1.2,f=-0.72) USER MOD Set 1.2: A 484 GLN : amide:sc= 0.631 K(o=1.2,f=-0.25) USER MOD Set 2.1: A 456 SER OG : rot -105:sc= 0.971 USER MOD Set 2.2: A 458 THR OG1 : rot 29:sc= 0.0666 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc=0.000405 USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 449 SER OG : rot 168:sc= 1.24 USER MOD Single : A 452 SER OG : rot 180:sc= 0.15 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 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 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= 0.103 X(o=0.1,f=-0.14) USER MOD Single : A 477 SER OG : rot -62:sc= 1.31 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 487 GLN : amide:sc= 0.549 K(o=0.55,f=-0.017) USER MOD Single : A 490 MET CE :methyl 170:sc= -0.871 (180deg=-1.23) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 8.713 -6.274 -6.691 1.00 0.00 N ATOM 2 CA GLY A 439 10.162 -6.180 -6.865 1.00 0.00 C ATOM 3 C GLY A 439 10.818 -5.872 -5.542 1.00 0.00 C ATOM 4 O GLY A 439 10.405 -4.946 -4.846 1.00 0.00 O ATOM 0 HA2 GLY A 439 10.551 -7.117 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 439 10.400 -5.401 -7.589 1.00 0.00 H new ATOM 8 N SER A 440 11.793 -6.689 -5.166 1.00 0.00 N ATOM 9 CA SER A 440 12.579 -6.578 -3.944 1.00 0.00 C ATOM 10 C SER A 440 14.003 -7.053 -4.280 1.00 0.00 C ATOM 11 O SER A 440 14.720 -7.639 -3.461 1.00 0.00 O ATOM 12 CB SER A 440 11.929 -7.426 -2.848 1.00 0.00 C ATOM 13 OG SER A 440 10.600 -7.032 -2.549 1.00 0.00 O ATOM 0 H SER A 440 12.071 -7.489 -5.735 1.00 0.00 H new ATOM 0 HA SER A 440 12.621 -5.554 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 440 11.930 -8.471 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 440 12.532 -7.362 -1.942 1.00 0.00 H new ATOM 0 HG SER A 440 10.238 -7.610 -1.845 1.00 0.00 H new ATOM 19 N GLU A 441 14.404 -6.847 -5.533 1.00 0.00 N ATOM 20 CA GLU A 441 15.681 -7.250 -6.073 1.00 0.00 C ATOM 21 C GLU A 441 16.876 -6.462 -5.562 1.00 0.00 C ATOM 22 O GLU A 441 17.922 -7.065 -5.339 1.00 0.00 O ATOM 23 CB GLU A 441 15.606 -7.254 -7.598 1.00 0.00 C ATOM 24 CG GLU A 441 15.475 -5.902 -8.318 1.00 0.00 C ATOM 25 CD GLU A 441 14.176 -5.123 -8.087 1.00 0.00 C ATOM 26 OE1 GLU A 441 13.124 -5.725 -7.768 1.00 0.00 O ATOM 27 OE2 GLU A 441 14.212 -3.891 -8.312 1.00 0.00 O ATOM 0 H GLU A 441 13.817 -6.374 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 441 15.868 -8.259 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.502 -7.748 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.756 -7.871 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.309 -5.271 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 441 15.582 -6.075 -9.389 1.00 0.00 H new ATOM 34 N THR A 442 16.724 -5.164 -5.333 1.00 0.00 N ATOM 35 CA THR A 442 17.771 -4.276 -4.840 1.00 0.00 C ATOM 36 C THR A 442 17.397 -3.698 -3.475 1.00 0.00 C ATOM 37 O THR A 442 18.175 -2.936 -2.899 1.00 0.00 O ATOM 38 CB THR A 442 18.018 -3.160 -5.870 1.00 0.00 C ATOM 39 OG1 THR A 442 16.785 -2.747 -6.422 1.00 0.00 O ATOM 40 CG2 THR A 442 18.906 -3.650 -7.013 1.00 0.00 C ATOM 0 H THR A 442 15.838 -4.683 -5.491 1.00 0.00 H new ATOM 0 HA THR A 442 18.692 -4.844 -4.708 1.00 0.00 H new ATOM 0 HB THR A 442 18.513 -2.336 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 442 16.942 -2.035 -7.077 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.063 -2.840 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.867 -3.974 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.422 -4.487 -7.517 1.00 0.00 H new ATOM 48 N CYS A 443 16.218 -4.047 -2.953 1.00 0.00 N ATOM 49 CA CYS A 443 15.704 -3.555 -1.679 1.00 0.00 C ATOM 50 C CYS A 443 14.862 -4.604 -0.967 1.00 0.00 C ATOM 51 O CYS A 443 14.126 -5.345 -1.611 1.00 0.00 O ATOM 52 CB CYS A 443 14.865 -2.306 -1.956 1.00 0.00 C ATOM 53 SG CYS A 443 15.850 -0.827 -2.310 1.00 0.00 S ATOM 0 H CYS A 443 15.582 -4.695 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 443 16.542 -3.320 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 443 14.206 -2.503 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.228 -2.109 -1.094 1.00 0.00 H new ATOM 58 N ILE A 444 14.938 -4.629 0.363 1.00 0.00 N ATOM 59 CA ILE A 444 14.233 -5.538 1.252 1.00 0.00 C ATOM 60 C ILE A 444 13.517 -4.673 2.273 1.00 0.00 C ATOM 61 O ILE A 444 14.121 -4.013 3.114 1.00 0.00 O ATOM 62 CB ILE A 444 15.202 -6.556 1.887 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.772 -7.532 0.844 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.554 -7.338 3.041 1.00 0.00 C ATOM 65 CD1 ILE A 444 14.734 -8.341 0.054 1.00 0.00 C ATOM 0 H ILE A 444 15.530 -3.974 0.874 1.00 0.00 H new ATOM 0 HA ILE A 444 13.505 -6.146 0.715 1.00 0.00 H new ATOM 0 HB ILE A 444 16.025 -5.971 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.379 -6.966 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.439 -8.229 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.276 -8.042 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.238 -6.643 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.688 -7.885 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 444 15.244 -8.996 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.140 -8.942 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.079 -7.660 -0.490 1.00 0.00 H new ATOM 77 N TYR A 445 12.201 -4.657 2.183 1.00 0.00 N ATOM 78 CA TYR A 445 11.320 -3.895 3.041 1.00 0.00 C ATOM 79 C TYR A 445 10.645 -4.842 4.036 1.00 0.00 C ATOM 80 O TYR A 445 10.783 -6.065 3.913 1.00 0.00 O ATOM 81 CB TYR A 445 10.266 -3.214 2.157 1.00 0.00 C ATOM 82 CG TYR A 445 10.680 -2.888 0.725 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.641 -3.900 -0.255 1.00 0.00 C ATOM 84 CD2 TYR A 445 11.063 -1.584 0.353 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.016 -3.618 -1.577 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.332 -1.278 -0.991 1.00 0.00 C ATOM 87 CZ TYR A 445 11.334 -2.303 -1.965 1.00 0.00 C ATOM 88 OH TYR A 445 11.648 -2.076 -3.269 1.00 0.00 O ATOM 0 H TYR A 445 11.698 -5.198 1.480 1.00 0.00 H new ATOM 0 HA TYR A 445 11.877 -3.142 3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.387 -3.857 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.962 -2.287 2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.321 -4.896 0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 445 11.150 -0.815 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.061 -4.416 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.538 -0.258 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 445 11.845 -1.125 -3.397 1.00 0.00 H new ATOM 98 N SER A 446 9.957 -4.299 5.043 1.00 0.00 N ATOM 99 CA SER A 446 9.247 -5.146 5.998 1.00 0.00 C ATOM 100 C SER A 446 7.889 -5.501 5.374 1.00 0.00 C ATOM 101 O SER A 446 7.573 -5.040 4.271 1.00 0.00 O ATOM 102 CB SER A 446 9.066 -4.415 7.334 1.00 0.00 C ATOM 103 OG SER A 446 8.808 -5.373 8.336 1.00 0.00 O ATOM 0 H SER A 446 9.878 -3.297 5.215 1.00 0.00 H new ATOM 0 HA SER A 446 9.814 -6.053 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 446 9.962 -3.844 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.242 -3.704 7.268 1.00 0.00 H new ATOM 0 HG SER A 446 8.691 -4.922 9.198 1.00 0.00 H new ATOM 109 N ASN A 447 7.076 -6.326 6.042 1.00 0.00 N ATOM 110 CA ASN A 447 5.759 -6.657 5.501 1.00 0.00 C ATOM 111 C ASN A 447 4.969 -5.359 5.491 1.00 0.00 C ATOM 112 O ASN A 447 5.129 -4.548 6.411 1.00 0.00 O ATOM 113 CB ASN A 447 5.003 -7.674 6.368 1.00 0.00 C ATOM 114 CG ASN A 447 3.778 -8.200 5.625 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.864 -9.238 4.980 1.00 0.00 O ATOM 116 ND2 ASN A 447 2.653 -7.508 5.647 1.00 0.00 N ATOM 0 H ASN A 447 7.300 -6.766 6.935 1.00 0.00 H new ATOM 0 HA ASN A 447 5.877 -7.102 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.663 -8.502 6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.696 -7.207 7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 447 1.842 -7.836 5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 447 2.595 -6.645 6.188 1.00 0.00 H new ATOM 123 N TRP A 448 4.118 -5.154 4.491 1.00 0.00 N ATOM 124 CA TRP A 448 3.314 -3.951 4.423 1.00 0.00 C ATOM 125 C TRP A 448 2.526 -3.767 5.717 1.00 0.00 C ATOM 126 O TRP A 448 1.966 -4.734 6.242 1.00 0.00 O ATOM 127 CB TRP A 448 2.368 -4.032 3.238 1.00 0.00 C ATOM 128 CG TRP A 448 2.940 -3.598 1.931 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.189 -4.399 0.874 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.289 -2.247 1.506 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.614 -3.634 -0.189 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.742 -2.309 0.156 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.242 -0.973 2.111 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.194 -1.181 -0.537 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.683 0.167 1.416 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.204 0.059 0.113 1.00 0.00 C ATOM 0 H TRP A 448 3.971 -5.807 3.721 1.00 0.00 H new ATOM 0 HA TRP A 448 3.972 -3.092 4.294 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.023 -5.061 3.140 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.491 -3.421 3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.073 -5.473 0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.810 -4.005 -1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.864 -0.873 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.531 -1.266 -1.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.621 1.137 1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.610 0.928 -0.383 1.00 0.00 H new ATOM 147 N SER A 449 2.510 -2.539 6.227 1.00 0.00 N ATOM 148 CA SER A 449 1.804 -2.159 7.438 1.00 0.00 C ATOM 149 C SER A 449 0.291 -2.284 7.197 1.00 0.00 C ATOM 150 O SER A 449 -0.135 -2.377 6.036 1.00 0.00 O ATOM 151 CB SER A 449 2.191 -0.706 7.747 1.00 0.00 C ATOM 152 OG SER A 449 3.599 -0.561 7.695 1.00 0.00 O ATOM 0 H SER A 449 3.004 -1.760 5.793 1.00 0.00 H new ATOM 0 HA SER A 449 2.066 -2.802 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.721 -0.035 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.824 -0.425 8.734 1.00 0.00 H new ATOM 0 HG SER A 449 3.830 0.391 7.699 1.00 0.00 H new ATOM 158 N PRO A 450 -0.534 -2.289 8.254 1.00 0.00 N ATOM 159 CA PRO A 450 -1.974 -2.381 8.091 1.00 0.00 C ATOM 160 C PRO A 450 -2.505 -1.117 7.411 1.00 0.00 C ATOM 161 O PRO A 450 -1.865 -0.064 7.385 1.00 0.00 O ATOM 162 CB PRO A 450 -2.536 -2.545 9.506 1.00 0.00 C ATOM 163 CG PRO A 450 -1.492 -1.857 10.378 1.00 0.00 C ATOM 164 CD PRO A 450 -0.188 -2.199 9.664 1.00 0.00 C ATOM 0 HA PRO A 450 -2.271 -3.217 7.458 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.516 -2.078 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.655 -3.595 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -1.654 -0.781 10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -1.506 -2.234 11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.567 -1.432 9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 450 0.225 -3.140 10.028 1.00 0.00 H new ATOM 172 N TRP A 451 -3.681 -1.248 6.812 1.00 0.00 N ATOM 173 CA TRP A 451 -4.351 -0.155 6.143 1.00 0.00 C ATOM 174 C TRP A 451 -5.039 0.667 7.223 1.00 0.00 C ATOM 175 O TRP A 451 -5.640 0.077 8.123 1.00 0.00 O ATOM 176 CB TRP A 451 -5.396 -0.735 5.191 1.00 0.00 C ATOM 177 CG TRP A 451 -4.845 -1.534 4.055 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.869 -2.880 3.953 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.164 -1.054 2.862 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.276 -3.254 2.763 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.880 -2.165 2.022 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.770 0.214 2.400 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.264 -2.015 0.772 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.172 0.388 1.138 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.907 -0.729 0.328 1.00 0.00 C ATOM 0 H TRP A 451 -4.197 -2.127 6.780 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.655 0.461 5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.075 -1.367 5.763 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.989 0.084 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.285 -3.556 4.685 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.147 -4.222 2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.930 1.077 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.065 -2.879 0.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.917 1.379 0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.431 -0.601 -0.633 1.00 0.00 H new ATOM 196 N SER A 452 -5.011 1.994 7.114 1.00 0.00 N ATOM 197 CA SER A 452 -5.650 2.870 8.090 1.00 0.00 C ATOM 198 C SER A 452 -7.170 2.649 8.048 1.00 0.00 C ATOM 199 O SER A 452 -7.724 1.873 8.823 1.00 0.00 O ATOM 200 CB SER A 452 -5.224 4.314 7.808 1.00 0.00 C ATOM 201 OG SER A 452 -5.323 4.657 6.434 1.00 0.00 O ATOM 0 H SER A 452 -4.548 2.488 6.351 1.00 0.00 H new ATOM 0 HA SER A 452 -5.334 2.641 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.845 4.992 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.196 4.456 8.140 1.00 0.00 H new ATOM 0 HG SER A 452 -5.042 5.587 6.308 1.00 0.00 H new ATOM 207 N ALA A 453 -7.854 3.306 7.117 1.00 0.00 N ATOM 208 CA ALA A 453 -9.286 3.227 6.883 1.00 0.00 C ATOM 209 C ALA A 453 -9.509 3.742 5.470 1.00 0.00 C ATOM 210 O ALA A 453 -8.774 4.626 5.012 1.00 0.00 O ATOM 211 CB ALA A 453 -10.064 4.066 7.899 1.00 0.00 C ATOM 0 H ALA A 453 -7.393 3.945 6.469 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.645 2.204 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -11.132 3.985 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.857 3.702 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.758 5.109 7.820 1.00 0.00 H new ATOM 217 N CYS A 454 -10.496 3.178 4.781 1.00 0.00 N ATOM 218 CA CYS A 454 -10.842 3.535 3.420 1.00 0.00 C ATOM 219 C CYS A 454 -11.245 5.002 3.338 1.00 0.00 C ATOM 220 O CYS A 454 -12.136 5.469 4.046 1.00 0.00 O ATOM 221 CB CYS A 454 -11.899 2.564 2.886 1.00 0.00 C ATOM 222 SG CYS A 454 -11.253 0.867 2.915 1.00 0.00 S ATOM 0 H CYS A 454 -11.088 2.443 5.168 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.974 3.435 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.803 2.628 3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.177 2.839 1.868 1.00 0.00 H new ATOM 227 N SER A 455 -10.582 5.710 2.431 1.00 0.00 N ATOM 228 CA SER A 455 -10.759 7.122 2.137 1.00 0.00 C ATOM 229 C SER A 455 -12.236 7.427 1.860 1.00 0.00 C ATOM 230 O SER A 455 -12.716 8.493 2.242 1.00 0.00 O ATOM 231 CB SER A 455 -9.832 7.485 0.968 1.00 0.00 C ATOM 232 OG SER A 455 -9.514 8.853 0.956 1.00 0.00 O ATOM 0 H SER A 455 -9.863 5.284 1.847 1.00 0.00 H new ATOM 0 HA SER A 455 -10.485 7.741 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.915 6.900 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.312 7.216 0.027 1.00 0.00 H new ATOM 0 HG SER A 455 -8.922 9.044 0.199 1.00 0.00 H new ATOM 238 N SER A 456 -12.949 6.524 1.172 1.00 0.00 N ATOM 239 CA SER A 456 -14.365 6.729 0.892 1.00 0.00 C ATOM 240 C SER A 456 -15.152 6.169 2.066 1.00 0.00 C ATOM 241 O SER A 456 -15.002 4.991 2.399 1.00 0.00 O ATOM 242 CB SER A 456 -14.826 6.016 -0.387 1.00 0.00 C ATOM 243 OG SER A 456 -16.095 6.463 -0.818 1.00 0.00 O ATOM 0 H SER A 456 -12.566 5.653 0.804 1.00 0.00 H new ATOM 0 HA SER A 456 -14.533 7.796 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.095 6.184 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 456 -14.862 4.941 -0.209 1.00 0.00 H new ATOM 0 HG SER A 456 -16.770 5.784 -0.608 1.00 0.00 H new ATOM 249 N SER A 457 -15.946 7.012 2.720 1.00 0.00 N ATOM 250 CA SER A 457 -16.807 6.593 3.819 1.00 0.00 C ATOM 251 C SER A 457 -18.143 6.104 3.233 1.00 0.00 C ATOM 252 O SER A 457 -19.025 5.680 3.980 1.00 0.00 O ATOM 253 CB SER A 457 -17.007 7.759 4.792 1.00 0.00 C ATOM 254 OG SER A 457 -15.918 7.800 5.696 1.00 0.00 O ATOM 0 H SER A 457 -16.010 8.006 2.502 1.00 0.00 H new ATOM 0 HA SER A 457 -16.351 5.776 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.076 8.699 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.943 7.638 5.337 1.00 0.00 H new ATOM 0 HG SER A 457 -16.039 8.545 6.321 1.00 0.00 H new ATOM 260 N THR A 458 -18.280 6.122 1.904 1.00 0.00 N ATOM 261 CA THR A 458 -19.452 5.729 1.142 1.00 0.00 C ATOM 262 C THR A 458 -19.118 4.625 0.149 1.00 0.00 C ATOM 263 O THR A 458 -17.946 4.401 -0.141 1.00 0.00 O ATOM 264 CB THR A 458 -19.988 6.981 0.428 1.00 0.00 C ATOM 265 OG1 THR A 458 -18.947 7.737 -0.176 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.708 7.894 1.424 1.00 0.00 C ATOM 0 H THR A 458 -17.520 6.433 1.299 1.00 0.00 H new ATOM 0 HA THR A 458 -20.214 5.325 1.808 1.00 0.00 H new ATOM 0 HB THR A 458 -20.672 6.629 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 458 -18.208 7.141 -0.419 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.082 8.776 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.543 7.356 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.012 8.201 2.205 1.00 0.00 H new ATOM 274 N CYS A 459 -20.138 3.990 -0.434 1.00 0.00 N ATOM 275 CA CYS A 459 -19.994 2.907 -1.404 1.00 0.00 C ATOM 276 C CYS A 459 -19.149 3.293 -2.631 1.00 0.00 C ATOM 277 O CYS A 459 -18.660 2.418 -3.346 1.00 0.00 O ATOM 278 CB CYS A 459 -21.393 2.407 -1.790 1.00 0.00 C ATOM 279 SG CYS A 459 -21.570 0.697 -2.371 1.00 0.00 S ATOM 0 H CYS A 459 -21.111 4.223 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.434 2.097 -0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.041 2.531 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.776 3.064 -2.571 1.00 0.00 H new ATOM 284 N GLU A 460 -18.983 4.595 -2.879 1.00 0.00 N ATOM 285 CA GLU A 460 -18.192 5.147 -3.966 1.00 0.00 C ATOM 286 C GLU A 460 -16.766 4.595 -3.846 1.00 0.00 C ATOM 287 O GLU A 460 -16.234 4.430 -2.740 1.00 0.00 O ATOM 288 CB GLU A 460 -18.268 6.687 -3.889 1.00 0.00 C ATOM 289 CG GLU A 460 -17.049 7.460 -4.423 1.00 0.00 C ATOM 290 CD GLU A 460 -16.694 7.234 -5.898 1.00 0.00 C ATOM 291 OE1 GLU A 460 -17.286 6.361 -6.565 1.00 0.00 O ATOM 292 OE2 GLU A 460 -15.757 7.915 -6.377 1.00 0.00 O ATOM 0 H GLU A 460 -19.416 5.316 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.569 4.858 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -19.149 7.014 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -18.422 6.970 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -17.227 8.525 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -16.183 7.193 -3.818 1.00 0.00 H new ATOM 299 N LYS A 461 -16.147 4.280 -4.985 1.00 0.00 N ATOM 300 CA LYS A 461 -14.800 3.741 -5.024 1.00 0.00 C ATOM 301 C LYS A 461 -13.826 4.726 -4.415 1.00 0.00 C ATOM 302 O LYS A 461 -13.741 5.902 -4.765 1.00 0.00 O ATOM 303 CB LYS A 461 -14.377 3.332 -6.435 1.00 0.00 C ATOM 304 CG LYS A 461 -15.217 2.158 -6.957 1.00 0.00 C ATOM 305 CD LYS A 461 -14.996 0.825 -6.224 1.00 0.00 C ATOM 306 CE LYS A 461 -15.935 -0.277 -6.745 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.607 -0.723 -8.114 1.00 0.00 N ATOM 0 H LYS A 461 -16.573 4.394 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.791 2.829 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.481 4.183 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.323 3.054 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.271 2.425 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -14.996 2.015 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.960 0.509 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.159 0.966 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.890 -1.132 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -16.961 0.090 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -16.275 -1.465 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -15.677 0.083 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.639 -1.102 -8.133 1.00 0.00 H new ATOM 321 N GLY A 462 -13.099 4.205 -3.451 1.00 0.00 N ATOM 322 CA GLY A 462 -12.096 4.886 -2.671 1.00 0.00 C ATOM 323 C GLY A 462 -10.797 4.121 -2.754 1.00 0.00 C ATOM 324 O GLY A 462 -10.527 3.388 -3.706 1.00 0.00 O ATOM 0 H GLY A 462 -13.202 3.228 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.958 5.902 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.418 4.967 -1.633 1.00 0.00 H new ATOM 328 N LYS A 463 -9.958 4.316 -1.747 1.00 0.00 N ATOM 329 CA LYS A 463 -8.652 3.689 -1.605 1.00 0.00 C ATOM 330 C LYS A 463 -8.271 3.742 -0.140 1.00 0.00 C ATOM 331 O LYS A 463 -8.991 4.352 0.648 1.00 0.00 O ATOM 332 CB LYS A 463 -7.608 4.316 -2.553 1.00 0.00 C ATOM 333 CG LYS A 463 -7.878 5.774 -2.962 1.00 0.00 C ATOM 334 CD LYS A 463 -6.847 6.307 -3.961 1.00 0.00 C ATOM 335 CE LYS A 463 -6.776 5.501 -5.264 1.00 0.00 C ATOM 336 NZ LYS A 463 -8.039 5.464 -6.034 1.00 0.00 N ATOM 0 H LYS A 463 -10.179 4.943 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.689 2.644 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.631 4.266 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.551 3.708 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.874 5.846 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.875 6.403 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -7.086 7.344 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.864 6.307 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.993 5.923 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.479 4.479 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.903 4.900 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.787 5.034 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -8.316 6.432 -6.293 1.00 0.00 H new ATOM 350 N ARG A 464 -7.201 3.057 0.232 1.00 0.00 N ATOM 351 CA ARG A 464 -6.686 2.981 1.598 1.00 0.00 C ATOM 352 C ARG A 464 -5.243 3.471 1.620 1.00 0.00 C ATOM 353 O ARG A 464 -4.643 3.541 0.554 1.00 0.00 O ATOM 354 CB ARG A 464 -6.730 1.526 2.068 1.00 0.00 C ATOM 355 CG ARG A 464 -7.952 0.741 1.625 1.00 0.00 C ATOM 356 CD ARG A 464 -8.019 -0.592 2.360 1.00 0.00 C ATOM 357 NE ARG A 464 -8.713 -1.617 1.564 1.00 0.00 N ATOM 358 CZ ARG A 464 -9.661 -2.462 1.986 1.00 0.00 C ATOM 359 NH1 ARG A 464 -10.195 -2.348 3.197 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.075 -3.420 1.169 1.00 0.00 N ATOM 0 H ARG A 464 -6.644 2.517 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.294 3.602 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.838 1.016 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.683 1.511 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.855 1.319 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -7.912 0.569 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.009 -0.932 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.535 -0.458 3.311 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.442 -1.691 0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.883 -1.606 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -10.917 -3.002 3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -9.672 -3.504 0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -10.797 -4.073 1.473 1.00 0.00 H new ATOM 374 N MET A 465 -4.646 3.695 2.797 1.00 0.00 N ATOM 375 CA MET A 465 -3.268 4.162 2.912 1.00 0.00 C ATOM 376 C MET A 465 -2.492 3.272 3.884 1.00 0.00 C ATOM 377 O MET A 465 -2.973 3.001 4.988 1.00 0.00 O ATOM 378 CB MET A 465 -3.296 5.616 3.413 1.00 0.00 C ATOM 379 CG MET A 465 -1.901 6.244 3.511 1.00 0.00 C ATOM 380 SD MET A 465 -1.841 7.802 4.421 1.00 0.00 S ATOM 381 CE MET A 465 -2.640 8.948 3.266 1.00 0.00 C ATOM 0 H MET A 465 -5.109 3.556 3.695 1.00 0.00 H new ATOM 0 HA MET A 465 -2.769 4.114 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.911 6.214 2.741 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.772 5.647 4.393 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.229 5.532 3.991 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.521 6.412 2.503 1.00 0.00 H new ATOM 0 HE1 MET A 465 -2.668 9.946 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.076 8.977 2.334 1.00 0.00 H new ATOM 0 HE3 MET A 465 -3.657 8.611 3.064 1.00 0.00 H new ATOM 391 N ARG A 466 -1.308 2.801 3.478 1.00 0.00 N ATOM 392 CA ARG A 466 -0.407 1.970 4.281 1.00 0.00 C ATOM 393 C ARG A 466 1.014 2.397 3.944 1.00 0.00 C ATOM 394 O ARG A 466 1.281 2.710 2.774 1.00 0.00 O ATOM 395 CB ARG A 466 -0.612 0.467 4.019 1.00 0.00 C ATOM 396 CG ARG A 466 -0.167 0.016 2.620 1.00 0.00 C ATOM 397 CD ARG A 466 -0.401 -1.476 2.412 1.00 0.00 C ATOM 398 NE ARG A 466 0.042 -1.875 1.067 1.00 0.00 N ATOM 399 CZ ARG A 466 0.028 -3.085 0.503 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.341 -4.173 1.170 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.395 -3.204 -0.764 1.00 0.00 N ATOM 0 H ARG A 466 -0.938 2.996 2.547 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.617 2.115 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.059 -0.101 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.667 0.225 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.714 0.580 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.891 0.242 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.142 -2.046 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.459 -1.707 2.538 1.00 0.00 H new ATOM 0 HE ARG A 466 0.411 -1.123 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.626 -4.100 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.339 -5.081 0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.682 -2.379 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.391 -4.120 -1.212 1.00 0.00 H new ATOM 415 N GLN A 467 1.925 2.399 4.911 1.00 0.00 N ATOM 416 CA GLN A 467 3.309 2.770 4.676 1.00 0.00 C ATOM 417 C GLN A 467 4.212 1.952 5.590 1.00 0.00 C ATOM 418 O GLN A 467 4.006 1.891 6.803 1.00 0.00 O ATOM 419 CB GLN A 467 3.536 4.289 4.752 1.00 0.00 C ATOM 420 CG GLN A 467 3.228 4.902 6.116 1.00 0.00 C ATOM 421 CD GLN A 467 3.391 6.417 6.163 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.984 7.047 5.282 1.00 0.00 O ATOM 423 NE2 GLN A 467 2.891 7.022 7.222 1.00 0.00 N ATOM 0 H GLN A 467 1.722 2.143 5.877 1.00 0.00 H new ATOM 0 HA GLN A 467 3.578 2.523 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.574 4.503 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 467 2.916 4.776 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.206 4.648 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.884 4.452 6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 467 2.405 6.480 7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 467 2.990 8.032 7.327 1.00 0.00 H new ATOM 432 N ARG A 468 5.136 1.213 4.983 1.00 0.00 N ATOM 433 CA ARG A 468 6.101 0.344 5.652 1.00 0.00 C ATOM 434 C ARG A 468 7.460 1.031 5.734 1.00 0.00 C ATOM 435 O ARG A 468 7.583 2.216 5.425 1.00 0.00 O ATOM 436 CB ARG A 468 6.105 -1.056 5.014 1.00 0.00 C ATOM 437 CG ARG A 468 6.565 -1.022 3.560 1.00 0.00 C ATOM 438 CD ARG A 468 6.694 -2.423 2.948 1.00 0.00 C ATOM 439 NE ARG A 468 6.683 -2.407 1.475 1.00 0.00 N ATOM 440 CZ ARG A 468 7.444 -1.684 0.657 1.00 0.00 C ATOM 441 NH1 ARG A 468 8.352 -0.879 1.165 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.304 -1.728 -0.657 1.00 0.00 N ATOM 0 H ARG A 468 5.238 1.202 3.968 1.00 0.00 H new ATOM 0 HA ARG A 468 5.806 0.173 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.760 -1.713 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.103 -1.481 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 468 5.857 -0.437 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.527 -0.513 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.620 -2.882 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.875 -3.047 3.306 1.00 0.00 H new ATOM 0 HE ARG A 468 6.009 -3.027 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 468 8.467 -0.814 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 468 8.941 -0.320 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 468 6.595 -2.330 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.905 -1.160 -1.253 1.00 0.00 H new ATOM 456 N MET A 469 8.483 0.277 6.114 1.00 0.00 N ATOM 457 CA MET A 469 9.846 0.747 6.261 1.00 0.00 C ATOM 458 C MET A 469 10.780 -0.153 5.448 1.00 0.00 C ATOM 459 O MET A 469 10.491 -1.340 5.242 1.00 0.00 O ATOM 460 CB MET A 469 10.142 0.718 7.765 1.00 0.00 C ATOM 461 CG MET A 469 11.432 1.417 8.177 1.00 0.00 C ATOM 462 SD MET A 469 11.553 1.506 9.980 1.00 0.00 S ATOM 463 CE MET A 469 13.150 2.330 10.118 1.00 0.00 C ATOM 0 H MET A 469 8.378 -0.713 6.335 1.00 0.00 H new ATOM 0 HA MET A 469 9.995 1.758 5.883 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.309 1.182 8.294 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.188 -0.321 8.092 1.00 0.00 H new ATOM 0 HG2 MET A 469 12.290 0.878 7.775 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.460 2.421 7.754 1.00 0.00 H new ATOM 0 HE1 MET A 469 13.396 2.472 11.170 1.00 0.00 H new ATOM 0 HE2 MET A 469 13.918 1.717 9.645 1.00 0.00 H new ATOM 0 HE3 MET A 469 13.103 3.299 9.622 1.00 0.00 H new ATOM 473 N LEU A 470 11.856 0.427 4.916 1.00 0.00 N ATOM 474 CA LEU A 470 12.887 -0.251 4.136 1.00 0.00 C ATOM 475 C LEU A 470 13.810 -0.848 5.204 1.00 0.00 C ATOM 476 O LEU A 470 14.373 -0.108 6.011 1.00 0.00 O ATOM 477 CB LEU A 470 13.569 0.765 3.190 1.00 0.00 C ATOM 478 CG LEU A 470 14.712 0.280 2.277 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.986 -0.011 3.059 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.314 -0.893 1.386 1.00 0.00 C ATOM 0 H LEU A 470 12.039 1.425 5.022 1.00 0.00 H new ATOM 0 HA LEU A 470 12.526 -1.036 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.795 1.192 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 470 13.959 1.577 3.804 1.00 0.00 H new ATOM 0 HG LEU A 470 14.926 1.111 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.764 -0.350 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.318 0.896 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.790 -0.788 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.163 -1.186 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.010 -1.735 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.484 -0.597 0.744 1.00 0.00 H new ATOM 492 N LYS A 471 13.874 -2.177 5.299 1.00 0.00 N ATOM 493 CA LYS A 471 14.703 -2.871 6.284 1.00 0.00 C ATOM 494 C LYS A 471 16.162 -2.919 5.853 1.00 0.00 C ATOM 495 O LYS A 471 17.032 -2.775 6.710 1.00 0.00 O ATOM 496 CB LYS A 471 14.199 -4.310 6.501 1.00 0.00 C ATOM 497 CG LYS A 471 12.974 -4.384 7.423 1.00 0.00 C ATOM 498 CD LYS A 471 12.458 -5.823 7.603 1.00 0.00 C ATOM 499 CE LYS A 471 13.516 -6.767 8.191 1.00 0.00 C ATOM 500 NZ LYS A 471 12.987 -8.130 8.400 1.00 0.00 N ATOM 0 H LYS A 471 13.349 -2.805 4.691 1.00 0.00 H new ATOM 0 HA LYS A 471 14.629 -2.310 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.948 -4.750 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.003 -4.911 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.231 -3.969 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.177 -3.764 7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.585 -5.812 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.129 -6.209 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.375 -6.810 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.871 -6.367 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.734 -8.735 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.183 -8.093 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.671 -8.523 7.490 1.00 0.00 H new ATOM 514 N ALA A 472 16.435 -3.189 4.576 1.00 0.00 N ATOM 515 CA ALA A 472 17.769 -3.286 4.007 1.00 0.00 C ATOM 516 C ALA A 472 17.731 -3.043 2.498 1.00 0.00 C ATOM 517 O ALA A 472 16.654 -3.028 1.902 1.00 0.00 O ATOM 518 CB ALA A 472 18.244 -4.710 4.261 1.00 0.00 C ATOM 0 H ALA A 472 15.700 -3.352 3.887 1.00 0.00 H new ATOM 0 HA ALA A 472 18.429 -2.543 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.246 -4.838 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.263 -4.901 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.563 -5.412 3.780 1.00 0.00 H new ATOM 524 N GLN A 473 18.889 -2.868 1.859 1.00 0.00 N ATOM 525 CA GLN A 473 18.995 -2.653 0.418 1.00 0.00 C ATOM 526 C GLN A 473 20.365 -3.130 -0.072 1.00 0.00 C ATOM 527 O GLN A 473 21.273 -3.366 0.731 1.00 0.00 O ATOM 528 CB GLN A 473 18.715 -1.173 0.065 1.00 0.00 C ATOM 529 CG GLN A 473 19.875 -0.245 0.451 1.00 0.00 C ATOM 530 CD GLN A 473 19.429 1.176 0.787 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.879 1.432 1.857 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.683 2.140 -0.076 1.00 0.00 N ATOM 0 H GLN A 473 19.791 -2.872 2.336 1.00 0.00 H new ATOM 0 HA GLN A 473 18.237 -3.241 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.527 -1.088 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.808 -0.847 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.397 -0.667 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.590 -0.209 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 473 20.139 1.924 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.423 3.102 0.143 1.00 0.00 H new ATOM 541 N LEU A 474 20.513 -3.284 -1.386 1.00 0.00 N ATOM 542 CA LEU A 474 21.757 -3.711 -2.010 1.00 0.00 C ATOM 543 C LEU A 474 22.615 -2.500 -2.333 1.00 0.00 C ATOM 544 O LEU A 474 23.820 -2.526 -2.083 1.00 0.00 O ATOM 545 CB LEU A 474 21.499 -4.485 -3.313 1.00 0.00 C ATOM 546 CG LEU A 474 20.726 -5.805 -3.161 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.873 -6.621 -4.448 1.00 0.00 C ATOM 548 CD2 LEU A 474 21.212 -6.649 -1.992 1.00 0.00 C ATOM 0 H LEU A 474 19.761 -3.113 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 474 22.268 -4.367 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.947 -3.838 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.459 -4.699 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 474 19.685 -5.545 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 474 20.327 -7.559 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 474 20.469 -6.054 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 474 21.927 -6.832 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.627 -7.567 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 474 22.264 -6.897 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.094 -6.089 -1.065 1.00 0.00 H new ATOM 560 N ASP A 475 22.002 -1.453 -2.888 1.00 0.00 N ATOM 561 CA ASP A 475 22.693 -0.230 -3.269 1.00 0.00 C ATOM 562 C ASP A 475 22.389 0.815 -2.221 1.00 0.00 C ATOM 563 O ASP A 475 21.341 1.460 -2.253 1.00 0.00 O ATOM 564 CB ASP A 475 22.301 0.257 -4.668 1.00 0.00 C ATOM 565 CG ASP A 475 23.232 1.386 -5.119 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.920 2.026 -4.289 1.00 0.00 O ATOM 567 OD2 ASP A 475 23.390 1.582 -6.341 1.00 0.00 O ATOM 0 H ASP A 475 21.002 -1.435 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 475 23.764 -0.425 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.352 -0.570 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.269 0.608 -4.662 1.00 0.00 H new ATOM 572 N LEU A 476 23.296 0.977 -1.263 1.00 0.00 N ATOM 573 CA LEU A 476 23.130 1.939 -0.182 1.00 0.00 C ATOM 574 C LEU A 476 23.063 3.386 -0.680 1.00 0.00 C ATOM 575 O LEU A 476 22.668 4.252 0.102 1.00 0.00 O ATOM 576 CB LEU A 476 24.212 1.738 0.892 1.00 0.00 C ATOM 577 CG LEU A 476 23.929 0.620 1.919 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.770 0.963 2.862 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.705 -0.757 1.283 1.00 0.00 C ATOM 0 H LEU A 476 24.165 0.445 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 476 22.161 1.747 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.157 1.520 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.344 2.677 1.430 1.00 0.00 H new ATOM 0 HG LEU A 476 24.843 0.557 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.616 0.142 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.008 1.872 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.862 1.119 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.512 -1.492 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.850 -0.712 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.594 -1.048 0.723 1.00 0.00 H new ATOM 591 N SER A 477 23.423 3.663 -1.943 1.00 0.00 N ATOM 592 CA SER A 477 23.374 5.005 -2.509 1.00 0.00 C ATOM 593 C SER A 477 22.059 5.304 -3.213 1.00 0.00 C ATOM 594 O SER A 477 21.710 6.470 -3.397 1.00 0.00 O ATOM 595 CB SER A 477 24.554 5.229 -3.459 1.00 0.00 C ATOM 596 OG SER A 477 24.513 4.472 -4.657 1.00 0.00 O ATOM 0 H SER A 477 23.756 2.954 -2.597 1.00 0.00 H new ATOM 0 HA SER A 477 23.446 5.701 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.597 6.287 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 477 25.477 4.993 -2.929 1.00 0.00 H new ATOM 0 HG SER A 477 24.537 3.516 -4.441 1.00 0.00 H new ATOM 602 N VAL A 478 21.329 4.259 -3.579 1.00 0.00 N ATOM 603 CA VAL A 478 20.057 4.301 -4.287 1.00 0.00 C ATOM 604 C VAL A 478 18.985 3.616 -3.425 1.00 0.00 C ATOM 605 O VAL A 478 18.719 2.420 -3.574 1.00 0.00 O ATOM 606 CB VAL A 478 20.262 3.680 -5.678 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.970 3.565 -6.503 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.244 4.521 -6.499 1.00 0.00 C ATOM 0 H VAL A 478 21.626 3.304 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 478 19.699 5.317 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 478 20.642 2.677 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 478 19.195 3.118 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.254 2.938 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.544 4.557 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.378 4.068 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.849 5.530 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.204 4.564 -5.985 1.00 0.00 H new ATOM 618 N PRO A 479 18.392 4.352 -2.472 1.00 0.00 N ATOM 619 CA PRO A 479 17.359 3.821 -1.603 1.00 0.00 C ATOM 620 C PRO A 479 16.037 3.653 -2.335 1.00 0.00 C ATOM 621 O PRO A 479 15.818 4.207 -3.417 1.00 0.00 O ATOM 622 CB PRO A 479 17.214 4.843 -0.487 1.00 0.00 C ATOM 623 CG PRO A 479 17.567 6.160 -1.171 1.00 0.00 C ATOM 624 CD PRO A 479 18.629 5.757 -2.193 1.00 0.00 C ATOM 0 HA PRO A 479 17.629 2.832 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 479 16.201 4.858 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.885 4.629 0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.697 6.609 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.951 6.891 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.547 6.356 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.633 5.914 -1.798 1.00 0.00 H new ATOM 632 N CYS A 480 15.132 2.934 -1.673 1.00 0.00 N ATOM 633 CA CYS A 480 13.812 2.650 -2.186 1.00 0.00 C ATOM 634 C CYS A 480 12.675 3.288 -1.381 1.00 0.00 C ATOM 635 O CYS A 480 12.086 2.595 -0.545 1.00 0.00 O ATOM 636 CB CYS A 480 13.595 1.144 -2.286 1.00 0.00 C ATOM 637 SG CYS A 480 14.626 0.280 -3.481 1.00 0.00 S ATOM 0 H CYS A 480 15.307 2.531 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 480 13.776 3.105 -3.176 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.766 0.706 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.550 0.963 -2.538 1.00 0.00 H new ATOM 642 N PRO A 481 12.304 4.550 -1.668 1.00 0.00 N ATOM 643 CA PRO A 481 11.205 5.269 -1.020 1.00 0.00 C ATOM 644 C PRO A 481 9.819 4.648 -1.323 1.00 0.00 C ATOM 645 O PRO A 481 8.785 5.228 -0.964 1.00 0.00 O ATOM 646 CB PRO A 481 11.321 6.721 -1.496 1.00 0.00 C ATOM 647 CG PRO A 481 12.039 6.602 -2.834 1.00 0.00 C ATOM 648 CD PRO A 481 12.968 5.424 -2.623 1.00 0.00 C ATOM 0 HA PRO A 481 11.284 5.205 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.342 7.186 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.886 7.330 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.341 6.423 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.589 7.511 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.156 4.903 -3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.935 5.754 -2.242 1.00 0.00 H new ATOM 656 N ASP A 482 9.778 3.498 -2.011 1.00 0.00 N ATOM 657 CA ASP A 482 8.656 2.662 -2.400 1.00 0.00 C ATOM 658 C ASP A 482 8.261 2.010 -1.087 1.00 0.00 C ATOM 659 O ASP A 482 8.447 0.816 -0.872 1.00 0.00 O ATOM 660 CB ASP A 482 9.054 1.561 -3.422 1.00 0.00 C ATOM 661 CG ASP A 482 8.645 1.824 -4.865 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.963 2.903 -5.411 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.024 0.918 -5.473 1.00 0.00 O ATOM 0 H ASP A 482 10.650 3.089 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 482 7.869 3.238 -2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 482 10.136 1.432 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.611 0.618 -3.104 1.00 0.00 H new ATOM 668 N THR A 483 7.727 2.795 -0.169 1.00 0.00 N ATOM 669 CA THR A 483 7.297 2.374 1.142 1.00 0.00 C ATOM 670 C THR A 483 5.885 2.862 1.397 1.00 0.00 C ATOM 671 O THR A 483 5.424 2.712 2.518 1.00 0.00 O ATOM 672 CB THR A 483 8.319 2.847 2.196 1.00 0.00 C ATOM 673 OG1 THR A 483 8.646 4.220 2.087 1.00 0.00 O ATOM 674 CG2 THR A 483 9.643 2.074 2.152 1.00 0.00 C ATOM 0 H THR A 483 7.576 3.791 -0.330 1.00 0.00 H new ATOM 0 HA THR A 483 7.263 1.287 1.210 1.00 0.00 H new ATOM 0 HB THR A 483 7.804 2.657 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.295 4.458 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.315 2.459 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.453 1.016 2.333 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.104 2.197 1.172 1.00 0.00 H new ATOM 682 N GLN A 484 5.207 3.435 0.399 1.00 0.00 N ATOM 683 CA GLN A 484 3.831 3.927 0.516 1.00 0.00 C ATOM 684 C GLN A 484 3.005 3.334 -0.622 1.00 0.00 C ATOM 685 O GLN A 484 3.465 3.372 -1.763 1.00 0.00 O ATOM 686 CB GLN A 484 3.776 5.460 0.431 1.00 0.00 C ATOM 687 CG GLN A 484 4.606 6.187 1.497 1.00 0.00 C ATOM 688 CD GLN A 484 4.325 7.691 1.521 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.109 8.301 0.472 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.312 8.324 2.683 1.00 0.00 N ATOM 0 H GLN A 484 5.606 3.573 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 484 3.433 3.626 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.123 5.769 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.737 5.779 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 484 4.388 5.763 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.666 6.020 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.492 7.810 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.122 9.326 2.716 1.00 0.00 H new ATOM 699 N ASP A 485 1.808 2.805 -0.342 1.00 0.00 N ATOM 700 CA ASP A 485 0.912 2.216 -1.348 1.00 0.00 C ATOM 701 C ASP A 485 -0.541 2.594 -1.065 1.00 0.00 C ATOM 702 O ASP A 485 -0.862 2.938 0.080 1.00 0.00 O ATOM 703 CB ASP A 485 1.051 0.692 -1.372 1.00 0.00 C ATOM 704 CG ASP A 485 0.556 0.036 -2.666 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.237 0.739 -3.655 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.471 -1.214 -2.666 1.00 0.00 O ATOM 0 H ASP A 485 1.428 2.773 0.604 1.00 0.00 H new ATOM 0 HA ASP A 485 1.198 2.613 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.099 0.432 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.497 0.275 -0.531 1.00 0.00 H new ATOM 711 N PHE A 486 -1.410 2.498 -2.078 1.00 0.00 N ATOM 712 CA PHE A 486 -2.827 2.837 -2.004 1.00 0.00 C ATOM 713 C PHE A 486 -3.685 1.886 -2.846 1.00 0.00 C ATOM 714 O PHE A 486 -3.747 2.033 -4.069 1.00 0.00 O ATOM 715 CB PHE A 486 -3.050 4.288 -2.470 1.00 0.00 C ATOM 716 CG PHE A 486 -2.410 5.359 -1.608 1.00 0.00 C ATOM 717 CD1 PHE A 486 -1.053 5.701 -1.776 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.183 6.029 -0.646 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.454 6.672 -0.952 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.596 7.019 0.156 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.234 7.333 0.013 1.00 0.00 C ATOM 0 H PHE A 486 -1.131 2.170 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 486 -3.135 2.734 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.667 4.387 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -4.123 4.476 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.469 5.214 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.227 5.783 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.595 6.907 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.194 7.543 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.785 8.084 0.646 1.00 0.00 H new ATOM 731 N GLN A 487 -4.279 0.848 -2.245 1.00 0.00 N ATOM 732 CA GLN A 487 -5.136 -0.081 -2.992 1.00 0.00 C ATOM 733 C GLN A 487 -6.540 0.518 -3.014 1.00 0.00 C ATOM 734 O GLN A 487 -6.870 1.292 -2.110 1.00 0.00 O ATOM 735 CB GLN A 487 -5.212 -1.488 -2.360 1.00 0.00 C ATOM 736 CG GLN A 487 -4.524 -2.572 -3.206 1.00 0.00 C ATOM 737 CD GLN A 487 -3.132 -2.919 -2.695 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.922 -3.975 -2.095 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.180 -2.031 -2.898 1.00 0.00 N ATOM 0 H GLN A 487 -4.184 0.631 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.711 -0.207 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.751 -1.461 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.258 -1.758 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -5.140 -3.471 -3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.453 -2.231 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.387 -1.167 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.236 -2.208 -2.555 1.00 0.00 H new ATOM 748 N PRO A 488 -7.381 0.157 -3.995 1.00 0.00 N ATOM 749 CA PRO A 488 -8.736 0.668 -4.079 1.00 0.00 C ATOM 750 C PRO A 488 -9.587 0.022 -2.987 1.00 0.00 C ATOM 751 O PRO A 488 -9.324 -1.099 -2.543 1.00 0.00 O ATOM 752 CB PRO A 488 -9.231 0.288 -5.476 1.00 0.00 C ATOM 753 CG PRO A 488 -8.463 -0.999 -5.768 1.00 0.00 C ATOM 754 CD PRO A 488 -7.112 -0.753 -5.098 1.00 0.00 C ATOM 0 HA PRO A 488 -8.792 1.746 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.309 0.129 -5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.012 1.065 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.966 -1.872 -5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.357 -1.171 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.677 -1.686 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.400 -0.318 -5.800 1.00 0.00 H new ATOM 762 N CYS A 489 -10.599 0.753 -2.540 1.00 0.00 N ATOM 763 CA CYS A 489 -11.540 0.302 -1.526 1.00 0.00 C ATOM 764 C CYS A 489 -12.932 0.845 -1.859 1.00 0.00 C ATOM 765 O CYS A 489 -13.131 1.495 -2.883 1.00 0.00 O ATOM 766 CB CYS A 489 -11.047 0.720 -0.135 1.00 0.00 C ATOM 767 SG CYS A 489 -11.943 -0.045 1.246 1.00 0.00 S ATOM 0 H CYS A 489 -10.792 1.695 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.608 -0.786 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.990 0.469 -0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.126 1.804 -0.046 1.00 0.00 H new ATOM 772 N MET A 490 -13.901 0.569 -0.999 1.00 0.00 N ATOM 773 CA MET A 490 -15.300 0.954 -1.032 1.00 0.00 C ATOM 774 C MET A 490 -15.663 1.328 0.412 1.00 0.00 C ATOM 775 O MET A 490 -14.866 1.111 1.329 1.00 0.00 O ATOM 776 CB MET A 490 -16.134 -0.251 -1.497 1.00 0.00 C ATOM 777 CG MET A 490 -15.930 -0.616 -2.974 1.00 0.00 C ATOM 778 SD MET A 490 -15.860 -2.394 -3.328 1.00 0.00 S ATOM 779 CE MET A 490 -17.529 -2.898 -2.835 1.00 0.00 C ATOM 0 H MET A 490 -13.701 0.008 -0.171 1.00 0.00 H new ATOM 0 HA MET A 490 -15.491 1.784 -1.713 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.882 -1.114 -0.881 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.189 -0.037 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.741 -0.178 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.005 -0.156 -3.321 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.708 -3.925 -3.154 1.00 0.00 H new ATOM 0 HE2 MET A 490 -17.623 -2.833 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.261 -2.240 -3.303 1.00 0.00 H new ATOM 789 N GLY A 491 -16.848 1.883 0.634 1.00 0.00 N ATOM 790 CA GLY A 491 -17.280 2.248 1.975 1.00 0.00 C ATOM 791 C GLY A 491 -17.718 1.006 2.751 1.00 0.00 C ATOM 792 O GLY A 491 -17.921 -0.058 2.161 1.00 0.00 O ATOM 0 H GLY A 491 -17.527 2.090 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.467 2.746 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -18.105 2.958 1.917 1.00 0.00 H new ATOM 796 N PRO A 492 -17.895 1.123 4.074 1.00 0.00 N ATOM 797 CA PRO A 492 -18.316 0.007 4.903 1.00 0.00 C ATOM 798 C PRO A 492 -19.771 -0.331 4.582 1.00 0.00 C ATOM 799 O PRO A 492 -20.631 0.552 4.590 1.00 0.00 O ATOM 800 CB PRO A 492 -18.122 0.497 6.342 1.00 0.00 C ATOM 801 CG PRO A 492 -18.291 2.010 6.241 1.00 0.00 C ATOM 802 CD PRO A 492 -17.693 2.325 4.871 1.00 0.00 C ATOM 0 HA PRO A 492 -17.750 -0.909 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -18.857 0.057 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -17.137 0.230 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.338 2.305 6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -17.765 2.530 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -18.185 3.185 4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -16.634 2.569 4.952 1.00 0.00 H new ATOM 810 N GLY A 493 -20.055 -1.614 4.348 1.00 0.00 N ATOM 811 CA GLY A 493 -21.400 -2.060 4.017 1.00 0.00 C ATOM 812 C GLY A 493 -21.773 -1.553 2.629 1.00 0.00 C ATOM 813 O GLY A 493 -22.781 -0.865 2.469 1.00 0.00 O ATOM 0 H GLY A 493 -19.363 -2.363 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -21.451 -3.148 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -22.111 -1.688 4.755 1.00 0.00 H new ATOM 817 N CYS A 494 -20.920 -1.851 1.650 1.00 0.00 N ATOM 818 CA CYS A 494 -21.085 -1.476 0.254 1.00 0.00 C ATOM 819 C CYS A 494 -21.341 -2.726 -0.588 1.00 0.00 C ATOM 820 O CYS A 494 -22.491 -3.003 -0.911 1.00 0.00 O ATOM 821 CB CYS A 494 -19.866 -0.674 -0.208 1.00 0.00 C ATOM 822 SG CYS A 494 -19.825 -0.280 -1.973 1.00 0.00 S ATOM 0 H CYS A 494 -20.064 -2.380 1.818 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.954 -0.830 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -19.829 0.258 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -18.966 -1.235 0.043 1.00 0.00 H new ATOM 827 N SER A 495 -20.302 -3.504 -0.910 1.00 0.00 N ATOM 828 CA SER A 495 -20.406 -4.716 -1.722 1.00 0.00 C ATOM 829 C SER A 495 -21.192 -4.465 -3.024 1.00 0.00 C ATOM 830 O SER A 495 -22.126 -5.192 -3.365 1.00 0.00 O ATOM 831 CB SER A 495 -20.962 -5.881 -0.893 1.00 0.00 C ATOM 832 OG SER A 495 -20.420 -5.957 0.418 1.00 0.00 O ATOM 0 H SER A 495 -19.349 -3.303 -0.607 1.00 0.00 H new ATOM 0 HA SER A 495 -19.403 -5.006 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 495 -22.045 -5.782 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 495 -20.760 -6.816 -1.415 1.00 0.00 H new ATOM 0 HG SER A 495 -20.816 -6.718 0.892 1.00 0.00 H new ATOM 838 N ASP A 496 -20.815 -3.423 -3.761 1.00 0.00 N ATOM 839 CA ASP A 496 -21.401 -2.972 -5.030 1.00 0.00 C ATOM 840 C ASP A 496 -21.146 -3.899 -6.228 1.00 0.00 C ATOM 841 O ASP A 496 -21.302 -3.477 -7.377 1.00 0.00 O ATOM 842 CB ASP A 496 -20.862 -1.574 -5.360 1.00 0.00 C ATOM 843 CG ASP A 496 -19.438 -1.540 -5.926 1.00 0.00 C ATOM 844 OD1 ASP A 496 -18.653 -2.502 -5.770 1.00 0.00 O ATOM 845 OD2 ASP A 496 -19.104 -0.524 -6.576 1.00 0.00 O ATOM 0 H ASP A 496 -20.039 -2.828 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 496 -22.480 -2.973 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -21.533 -1.104 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -20.890 -0.968 -4.454 1.00 0.00 H new ATOM 850 N GLU A 497 -20.725 -5.140 -5.988 1.00 0.00 N ATOM 851 CA GLU A 497 -20.444 -6.087 -7.053 1.00 0.00 C ATOM 852 C GLU A 497 -21.653 -6.344 -7.950 1.00 0.00 C ATOM 853 O GLU A 497 -22.801 -6.327 -7.502 1.00 0.00 O ATOM 854 CB GLU A 497 -19.906 -7.408 -6.480 1.00 0.00 C ATOM 855 CG GLU A 497 -18.474 -7.288 -5.944 1.00 0.00 C ATOM 856 CD GLU A 497 -17.448 -6.809 -6.982 1.00 0.00 C ATOM 857 OE1 GLU A 497 -17.690 -6.861 -8.212 1.00 0.00 O ATOM 858 OE2 GLU A 497 -16.363 -6.354 -6.548 1.00 0.00 O ATOM 0 H GLU A 497 -20.571 -5.511 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 497 -19.676 -5.633 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -20.562 -7.743 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -19.935 -8.173 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -18.471 -6.596 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -18.160 -8.259 -5.561 1.00 0.00 H new ATOM 865 N ASP A 498 -21.376 -6.595 -9.229 1.00 0.00 N ATOM 866 CA ASP A 498 -22.367 -6.889 -10.265 1.00 0.00 C ATOM 867 C ASP A 498 -22.925 -8.305 -10.119 1.00 0.00 C ATOM 868 O ASP A 498 -23.932 -8.625 -10.754 1.00 0.00 O ATOM 869 CB ASP A 498 -21.805 -6.667 -11.683 1.00 0.00 C ATOM 870 CG ASP A 498 -20.409 -7.247 -11.887 1.00 0.00 C ATOM 871 OD1 ASP A 498 -20.250 -8.434 -12.246 1.00 0.00 O ATOM 872 OD2 ASP A 498 -19.435 -6.495 -11.651 1.00 0.00 O ATOM 0 H ASP A 498 -20.420 -6.599 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 498 -23.187 -6.185 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -22.485 -7.115 -12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -21.778 -5.597 -11.890 1.00 0.00 H new ATOM 877 N GLY A 499 -22.340 -9.150 -9.272 1.00 0.00 N ATOM 878 CA GLY A 499 -22.780 -10.513 -9.034 1.00 0.00 C ATOM 879 C GLY A 499 -22.356 -10.943 -7.652 1.00 0.00 C ATOM 880 O GLY A 499 -22.232 -12.165 -7.438 1.00 0.00 O ATOM 0 H GLY A 499 -21.523 -8.892 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -23.864 -10.579 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -22.352 -11.181 -9.782 1.00 0.00 H new TER 884 GLY A 499