USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 467 GLN : amide:sc= -0.421 K(o=-0.61,f=0) USER MOD Set 1.2: A 484 GLN : amide:sc= -0.194 X(o=-0.61,f=-0.25) USER MOD Single : A 442 THR OG1 : rot 180:sc=0.000615 USER MOD Single : A 445 TYR OH : rot -89:sc= 1.1 USER MOD Single : A 446 SER OG : rot 180:sc= 0.82 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 452 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 455 SER OG : rot 56:sc= 1.31 USER MOD Single : A 456 SER OG : rot 180:sc= -0.515 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 169:sc= 1.25 USER MOD Single : A 459 CYS SG : rot -38:sc= -0.0448 USER MOD Single : A 461 LYS NZ :NH3+ 175:sc=-0.00227 (180deg=-0.0425) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 MET CE :methyl 170:sc= -0.0549 (180deg=-0.19) 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= 0.432 K(o=0.43,f=-0.29) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 487 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.57) USER MOD Single : A 490 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 13.589 -5.976 -6.034 1.00 0.00 N ATOM 20 CA GLU A 441 14.757 -6.775 -6.275 1.00 0.00 C ATOM 21 C GLU A 441 15.998 -6.229 -5.586 1.00 0.00 C ATOM 22 O GLU A 441 16.721 -7.024 -4.989 1.00 0.00 O ATOM 23 CB GLU A 441 14.965 -6.903 -7.772 1.00 0.00 C ATOM 24 CG GLU A 441 15.126 -5.620 -8.591 1.00 0.00 C ATOM 25 CD GLU A 441 15.076 -5.993 -10.068 1.00 0.00 C ATOM 26 OE1 GLU A 441 13.966 -6.249 -10.587 1.00 0.00 O ATOM 27 OE2 GLU A 441 16.146 -6.170 -10.693 1.00 0.00 O ATOM 0 HA GLU A 441 14.592 -7.761 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.852 -7.515 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.118 -7.455 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 441 14.333 -4.912 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.071 -5.132 -8.353 1.00 0.00 H new ATOM 34 N THR A 442 16.254 -4.922 -5.636 1.00 0.00 N ATOM 35 CA THR A 442 17.414 -4.312 -4.995 1.00 0.00 C ATOM 36 C THR A 442 17.039 -3.734 -3.626 1.00 0.00 C ATOM 37 O THR A 442 17.882 -3.164 -2.948 1.00 0.00 O ATOM 38 CB THR A 442 18.090 -3.290 -5.929 1.00 0.00 C ATOM 39 OG1 THR A 442 17.154 -2.537 -6.679 1.00 0.00 O ATOM 40 CG2 THR A 442 19.010 -4.017 -6.915 1.00 0.00 C ATOM 0 H THR A 442 15.658 -4.255 -6.126 1.00 0.00 H new ATOM 0 HA THR A 442 18.160 -5.084 -4.806 1.00 0.00 H new ATOM 0 HB THR A 442 18.652 -2.608 -5.291 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.630 -1.902 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.485 -3.290 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.776 -4.562 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.424 -4.717 -7.511 1.00 0.00 H new ATOM 48 N CYS A 443 15.801 -3.920 -3.175 1.00 0.00 N ATOM 49 CA CYS A 443 15.267 -3.432 -1.915 1.00 0.00 C ATOM 50 C CYS A 443 14.475 -4.539 -1.232 1.00 0.00 C ATOM 51 O CYS A 443 13.837 -5.368 -1.889 1.00 0.00 O ATOM 52 CB CYS A 443 14.403 -2.196 -2.199 1.00 0.00 C ATOM 53 SG CYS A 443 15.372 -0.839 -2.907 1.00 0.00 S ATOM 0 H CYS A 443 15.109 -4.444 -3.711 1.00 0.00 H new ATOM 0 HA CYS A 443 16.070 -3.143 -1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.600 -2.465 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.933 -1.862 -1.274 1.00 0.00 H new ATOM 58 N ILE A 444 14.517 -4.530 0.099 1.00 0.00 N ATOM 59 CA ILE A 444 13.869 -5.454 1.014 1.00 0.00 C ATOM 60 C ILE A 444 13.245 -4.556 2.069 1.00 0.00 C ATOM 61 O ILE A 444 13.944 -3.958 2.887 1.00 0.00 O ATOM 62 CB ILE A 444 14.901 -6.432 1.617 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.596 -7.326 0.566 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.300 -7.287 2.748 1.00 0.00 C ATOM 65 CD1 ILE A 444 14.647 -8.240 -0.220 1.00 0.00 C ATOM 0 H ILE A 444 15.048 -3.818 0.600 1.00 0.00 H new ATOM 0 HA ILE A 444 13.122 -6.084 0.531 1.00 0.00 H new ATOM 0 HB ILE A 444 15.675 -5.795 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.132 -6.689 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.341 -7.943 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.063 -7.959 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 444 13.944 -6.636 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.467 -7.872 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 444 15.220 -8.831 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.129 -8.907 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 444 13.917 -7.633 -0.755 1.00 0.00 H new ATOM 77 N TYR A 445 11.931 -4.414 2.023 1.00 0.00 N ATOM 78 CA TYR A 445 11.181 -3.583 2.945 1.00 0.00 C ATOM 79 C TYR A 445 10.563 -4.475 4.036 1.00 0.00 C ATOM 80 O TYR A 445 10.640 -5.708 3.961 1.00 0.00 O ATOM 81 CB TYR A 445 10.069 -2.871 2.171 1.00 0.00 C ATOM 82 CG TYR A 445 10.442 -2.207 0.854 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.672 -2.993 -0.292 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.461 -0.802 0.741 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.933 -2.399 -1.531 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.695 -0.200 -0.506 1.00 0.00 C ATOM 87 CZ TYR A 445 10.929 -0.998 -1.651 1.00 0.00 C ATOM 88 OH TYR A 445 11.145 -0.429 -2.863 1.00 0.00 O ATOM 0 H TYR A 445 11.347 -4.882 1.331 1.00 0.00 H new ATOM 0 HA TYR A 445 11.836 -2.846 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.281 -3.597 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.641 -2.109 2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.646 -4.070 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.295 -0.188 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.137 -3.015 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.696 0.877 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 445 12.106 -0.285 -2.990 1.00 0.00 H new ATOM 98 N SER A 446 9.945 -3.875 5.052 1.00 0.00 N ATOM 99 CA SER A 446 9.283 -4.602 6.128 1.00 0.00 C ATOM 100 C SER A 446 7.918 -5.117 5.642 1.00 0.00 C ATOM 101 O SER A 446 7.458 -4.745 4.553 1.00 0.00 O ATOM 102 CB SER A 446 9.153 -3.689 7.359 1.00 0.00 C ATOM 103 OG SER A 446 8.649 -2.412 7.022 1.00 0.00 O ATOM 0 H SER A 446 9.891 -2.861 5.150 1.00 0.00 H new ATOM 0 HA SER A 446 9.876 -5.469 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.493 -4.158 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 446 10.128 -3.580 7.834 1.00 0.00 H new ATOM 0 HG SER A 446 8.580 -1.864 7.831 1.00 0.00 H new ATOM 109 N ASN A 447 7.280 -5.992 6.428 1.00 0.00 N ATOM 110 CA ASN A 447 5.963 -6.546 6.104 1.00 0.00 C ATOM 111 C ASN A 447 4.977 -5.390 6.164 1.00 0.00 C ATOM 112 O ASN A 447 4.825 -4.807 7.243 1.00 0.00 O ATOM 113 CB ASN A 447 5.536 -7.634 7.094 1.00 0.00 C ATOM 114 CG ASN A 447 4.329 -8.420 6.586 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.186 -7.967 6.611 1.00 0.00 O ATOM 116 ND2 ASN A 447 4.559 -9.640 6.146 1.00 0.00 N ATOM 0 H ASN A 447 7.664 -6.336 7.308 1.00 0.00 H new ATOM 0 HA ASN A 447 5.994 -7.011 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 447 6.368 -8.317 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.295 -7.178 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 447 3.785 -10.219 5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 447 5.511 -10.005 6.130 1.00 0.00 H new ATOM 123 N TRP A 448 4.349 -5.058 5.034 1.00 0.00 N ATOM 124 CA TRP A 448 3.388 -3.965 4.903 1.00 0.00 C ATOM 125 C TRP A 448 2.503 -3.826 6.137 1.00 0.00 C ATOM 126 O TRP A 448 1.804 -4.772 6.504 1.00 0.00 O ATOM 127 CB TRP A 448 2.509 -4.185 3.676 1.00 0.00 C ATOM 128 CG TRP A 448 3.066 -3.765 2.354 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.348 -4.579 1.315 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.337 -2.413 1.886 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.738 -3.818 0.231 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.764 -2.476 0.527 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.265 -1.137 2.474 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.129 -1.334 -0.199 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.645 0.009 1.759 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.114 -0.086 0.442 1.00 0.00 C ATOM 0 H TRP A 448 4.501 -5.559 4.159 1.00 0.00 H new ATOM 0 HA TRP A 448 3.961 -3.044 4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.267 -5.246 3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.571 -3.652 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.279 -5.657 1.329 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.978 -4.206 -0.681 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.912 -1.038 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.418 -1.414 -1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.575 0.978 2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.462 0.796 -0.076 1.00 0.00 H new ATOM 147 N SER A 449 2.552 -2.669 6.788 1.00 0.00 N ATOM 148 CA SER A 449 1.753 -2.404 7.973 1.00 0.00 C ATOM 149 C SER A 449 0.248 -2.392 7.618 1.00 0.00 C ATOM 150 O SER A 449 -0.112 -2.256 6.441 1.00 0.00 O ATOM 151 CB SER A 449 2.290 -1.120 8.609 1.00 0.00 C ATOM 152 OG SER A 449 3.618 -1.352 9.073 1.00 0.00 O ATOM 0 H SER A 449 3.148 -1.890 6.507 1.00 0.00 H new ATOM 0 HA SER A 449 1.839 -3.193 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 449 2.282 -0.308 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.650 -0.814 9.437 1.00 0.00 H new ATOM 0 HG SER A 449 3.970 -0.533 9.480 1.00 0.00 H new ATOM 158 N PRO A 450 -0.649 -2.538 8.611 1.00 0.00 N ATOM 159 CA PRO A 450 -2.093 -2.581 8.402 1.00 0.00 C ATOM 160 C PRO A 450 -2.651 -1.340 7.707 1.00 0.00 C ATOM 161 O PRO A 450 -2.244 -0.208 7.984 1.00 0.00 O ATOM 162 CB PRO A 450 -2.716 -2.806 9.788 1.00 0.00 C ATOM 163 CG PRO A 450 -1.635 -2.348 10.759 1.00 0.00 C ATOM 164 CD PRO A 450 -0.351 -2.708 10.025 1.00 0.00 C ATOM 0 HA PRO A 450 -2.347 -3.389 7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.633 -2.230 9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.974 -3.853 9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -1.699 -1.279 10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -1.710 -2.859 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.471 -2.062 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.049 -3.733 10.242 1.00 0.00 H new ATOM 172 N TRP A 451 -3.593 -1.553 6.786 1.00 0.00 N ATOM 173 CA TRP A 451 -4.243 -0.480 6.049 1.00 0.00 C ATOM 174 C TRP A 451 -5.012 0.424 7.006 1.00 0.00 C ATOM 175 O TRP A 451 -5.615 -0.074 7.963 1.00 0.00 O ATOM 176 CB TRP A 451 -5.274 -1.058 5.074 1.00 0.00 C ATOM 177 CG TRP A 451 -4.737 -1.738 3.859 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.825 -3.053 3.567 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.118 -1.118 2.701 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.267 -3.282 2.324 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.783 -2.126 1.760 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.829 0.211 2.347 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.124 -1.834 0.562 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.193 0.529 1.136 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.808 -0.497 0.259 1.00 0.00 C ATOM 0 H TRP A 451 -3.925 -2.484 6.533 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.467 0.074 5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -5.894 -1.771 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.928 -0.248 4.750 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.263 -3.807 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.220 -4.198 1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.103 1.007 3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.860 -2.626 -0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -3.001 1.560 0.880 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.270 -0.260 -0.647 1.00 0.00 H new ATOM 196 N SER A 452 -4.967 1.732 6.760 1.00 0.00 N ATOM 197 CA SER A 452 -5.685 2.719 7.545 1.00 0.00 C ATOM 198 C SER A 452 -7.085 2.857 6.917 1.00 0.00 C ATOM 199 O SER A 452 -7.456 2.088 6.017 1.00 0.00 O ATOM 200 CB SER A 452 -4.872 4.022 7.612 1.00 0.00 C ATOM 201 OG SER A 452 -4.311 4.374 6.364 1.00 0.00 O ATOM 0 H SER A 452 -4.422 2.136 5.998 1.00 0.00 H new ATOM 0 HA SER A 452 -5.817 2.423 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.516 4.831 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.075 3.912 8.347 1.00 0.00 H new ATOM 0 HG SER A 452 -3.806 5.208 6.456 1.00 0.00 H new ATOM 207 N ALA A 453 -7.868 3.827 7.388 1.00 0.00 N ATOM 208 CA ALA A 453 -9.216 4.068 6.907 1.00 0.00 C ATOM 209 C ALA A 453 -9.279 4.276 5.392 1.00 0.00 C ATOM 210 O ALA A 453 -8.358 4.798 4.757 1.00 0.00 O ATOM 211 CB ALA A 453 -9.786 5.294 7.622 1.00 0.00 C ATOM 0 H ALA A 453 -7.575 4.471 8.122 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.809 3.180 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.799 5.484 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.806 5.112 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.160 6.161 7.412 1.00 0.00 H new ATOM 217 N CYS A 454 -10.391 3.838 4.817 1.00 0.00 N ATOM 218 CA CYS A 454 -10.705 3.951 3.415 1.00 0.00 C ATOM 219 C CYS A 454 -11.095 5.403 3.199 1.00 0.00 C ATOM 220 O CYS A 454 -11.900 5.948 3.959 1.00 0.00 O ATOM 221 CB CYS A 454 -11.891 3.037 3.073 1.00 0.00 C ATOM 222 SG CYS A 454 -12.433 3.072 1.345 1.00 0.00 S ATOM 0 H CYS A 454 -11.128 3.374 5.348 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.865 3.658 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.623 2.012 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.734 3.314 3.705 1.00 0.00 H new ATOM 227 N SER A 455 -10.561 6.012 2.144 1.00 0.00 N ATOM 228 CA SER A 455 -10.879 7.408 1.826 1.00 0.00 C ATOM 229 C SER A 455 -12.394 7.588 1.599 1.00 0.00 C ATOM 230 O SER A 455 -12.906 8.687 1.818 1.00 0.00 O ATOM 231 CB SER A 455 -10.080 7.919 0.618 1.00 0.00 C ATOM 232 OG SER A 455 -8.676 7.780 0.795 1.00 0.00 O ATOM 0 H SER A 455 -9.910 5.568 1.496 1.00 0.00 H new ATOM 0 HA SER A 455 -10.585 8.010 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 455 -10.386 7.372 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.319 8.968 0.446 1.00 0.00 H new ATOM 0 HG SER A 455 -8.462 6.843 0.986 1.00 0.00 H new ATOM 238 N SER A 456 -13.105 6.528 1.191 1.00 0.00 N ATOM 239 CA SER A 456 -14.536 6.534 0.948 1.00 0.00 C ATOM 240 C SER A 456 -15.295 5.816 2.057 1.00 0.00 C ATOM 241 O SER A 456 -15.059 4.640 2.340 1.00 0.00 O ATOM 242 CB SER A 456 -14.864 5.856 -0.393 1.00 0.00 C ATOM 243 OG SER A 456 -14.350 6.633 -1.440 1.00 0.00 O ATOM 0 H SER A 456 -12.677 5.618 1.018 1.00 0.00 H new ATOM 0 HA SER A 456 -14.849 7.578 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.434 4.855 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.943 5.744 -0.503 1.00 0.00 H new ATOM 0 HG SER A 456 -14.555 6.204 -2.297 1.00 0.00 H new ATOM 249 N SER A 457 -16.208 6.538 2.693 1.00 0.00 N ATOM 250 CA SER A 457 -17.118 6.061 3.727 1.00 0.00 C ATOM 251 C SER A 457 -18.507 5.961 3.055 1.00 0.00 C ATOM 252 O SER A 457 -19.538 5.928 3.719 1.00 0.00 O ATOM 253 CB SER A 457 -17.094 6.968 4.960 1.00 0.00 C ATOM 254 OG SER A 457 -15.847 6.883 5.628 1.00 0.00 O ATOM 0 H SER A 457 -16.341 7.529 2.490 1.00 0.00 H new ATOM 0 HA SER A 457 -16.823 5.085 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.281 7.999 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.896 6.683 5.641 1.00 0.00 H new ATOM 0 HG SER A 457 -15.855 7.472 6.411 1.00 0.00 H new ATOM 260 N THR A 458 -18.518 5.895 1.726 1.00 0.00 N ATOM 261 CA THR A 458 -19.598 5.792 0.767 1.00 0.00 C ATOM 262 C THR A 458 -19.286 4.554 -0.076 1.00 0.00 C ATOM 263 O THR A 458 -18.115 4.205 -0.238 1.00 0.00 O ATOM 264 CB THR A 458 -19.572 7.070 -0.100 1.00 0.00 C ATOM 265 OG1 THR A 458 -18.232 7.459 -0.379 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.253 8.218 0.640 1.00 0.00 C ATOM 0 H THR A 458 -17.627 5.917 1.231 1.00 0.00 H new ATOM 0 HA THR A 458 -20.583 5.701 1.225 1.00 0.00 H new ATOM 0 HB THR A 458 -20.096 6.853 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 458 -18.230 8.153 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.230 9.115 0.021 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.288 7.951 0.853 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.728 8.410 1.576 1.00 0.00 H new ATOM 274 N CYS A 459 -20.286 3.896 -0.658 1.00 0.00 N ATOM 275 CA CYS A 459 -20.103 2.694 -1.477 1.00 0.00 C ATOM 276 C CYS A 459 -19.349 2.958 -2.802 1.00 0.00 C ATOM 277 O CYS A 459 -19.328 2.102 -3.692 1.00 0.00 O ATOM 278 CB CYS A 459 -21.470 2.011 -1.646 1.00 0.00 C ATOM 279 SG CYS A 459 -21.566 0.360 -2.397 1.00 0.00 S ATOM 0 H CYS A 459 -21.261 4.185 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.437 2.003 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.926 1.946 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -22.095 2.676 -2.242 1.00 0.00 H new ATOM 0 HG CYS A 459 -20.697 0.270 -3.359 1.00 0.00 H new ATOM 284 N GLU A 460 -18.809 4.161 -3.018 1.00 0.00 N ATOM 285 CA GLU A 460 -18.048 4.478 -4.215 1.00 0.00 C ATOM 286 C GLU A 460 -16.636 3.914 -4.034 1.00 0.00 C ATOM 287 O GLU A 460 -16.241 3.507 -2.936 1.00 0.00 O ATOM 288 CB GLU A 460 -18.032 5.989 -4.489 1.00 0.00 C ATOM 289 CG GLU A 460 -17.061 6.774 -3.602 1.00 0.00 C ATOM 290 CD GLU A 460 -17.379 8.264 -3.649 1.00 0.00 C ATOM 291 OE1 GLU A 460 -17.125 8.926 -4.684 1.00 0.00 O ATOM 292 OE2 GLU A 460 -17.954 8.771 -2.661 1.00 0.00 O ATOM 0 H GLU A 460 -18.891 4.939 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.516 4.023 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.769 6.155 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -19.038 6.384 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -17.126 6.415 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -16.037 6.604 -3.935 1.00 0.00 H new ATOM 299 N LYS A 461 -15.852 3.884 -5.109 1.00 0.00 N ATOM 300 CA LYS A 461 -14.495 3.377 -5.031 1.00 0.00 C ATOM 301 C LYS A 461 -13.533 4.473 -4.616 1.00 0.00 C ATOM 302 O LYS A 461 -13.302 5.421 -5.366 1.00 0.00 O ATOM 303 CB LYS A 461 -14.037 2.791 -6.357 1.00 0.00 C ATOM 304 CG LYS A 461 -14.578 1.376 -6.592 1.00 0.00 C ATOM 305 CD LYS A 461 -13.676 0.324 -5.926 1.00 0.00 C ATOM 306 CE LYS A 461 -14.218 -1.103 -6.055 1.00 0.00 C ATOM 307 NZ LYS A 461 -14.517 -1.489 -7.449 1.00 0.00 N ATOM 0 H LYS A 461 -16.135 4.203 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.495 2.587 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.363 3.441 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -12.948 2.769 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -15.589 1.298 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -14.642 1.180 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -12.683 0.371 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.562 0.569 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -13.490 -1.800 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.125 -1.196 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -14.799 -2.490 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -15.293 -0.900 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.671 -1.350 -8.037 1.00 0.00 H new ATOM 321 N GLY A 462 -13.001 4.313 -3.419 1.00 0.00 N ATOM 322 CA GLY A 462 -12.024 5.160 -2.780 1.00 0.00 C ATOM 323 C GLY A 462 -10.757 4.342 -2.684 1.00 0.00 C ATOM 324 O GLY A 462 -10.552 3.399 -3.452 1.00 0.00 O ATOM 0 H GLY A 462 -13.264 3.525 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.858 6.069 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.364 5.469 -1.792 1.00 0.00 H new ATOM 328 N LYS A 463 -9.875 4.688 -1.747 1.00 0.00 N ATOM 329 CA LYS A 463 -8.611 3.975 -1.553 1.00 0.00 C ATOM 330 C LYS A 463 -8.089 4.178 -0.142 1.00 0.00 C ATOM 331 O LYS A 463 -8.419 5.168 0.510 1.00 0.00 O ATOM 332 CB LYS A 463 -7.571 4.370 -2.612 1.00 0.00 C ATOM 333 CG LYS A 463 -7.854 5.724 -3.255 1.00 0.00 C ATOM 334 CD LYS A 463 -6.738 6.169 -4.184 1.00 0.00 C ATOM 335 CE LYS A 463 -6.807 5.430 -5.523 1.00 0.00 C ATOM 336 NZ LYS A 463 -5.852 6.020 -6.472 1.00 0.00 N ATOM 0 H LYS A 463 -10.015 5.467 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.802 2.910 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.583 4.393 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.543 3.605 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.788 5.669 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.993 6.472 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.809 7.243 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.773 5.984 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -6.582 4.374 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.817 5.487 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -5.905 5.513 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -6.086 7.022 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -4.889 5.943 -6.088 1.00 0.00 H new ATOM 350 N ARG A 464 -7.338 3.205 0.354 1.00 0.00 N ATOM 351 CA ARG A 464 -6.730 3.197 1.684 1.00 0.00 C ATOM 352 C ARG A 464 -5.263 3.581 1.542 1.00 0.00 C ATOM 353 O ARG A 464 -4.787 3.783 0.426 1.00 0.00 O ATOM 354 CB ARG A 464 -6.826 1.788 2.293 1.00 0.00 C ATOM 355 CG ARG A 464 -8.174 1.108 2.101 1.00 0.00 C ATOM 356 CD ARG A 464 -8.237 -0.192 2.887 1.00 0.00 C ATOM 357 NE ARG A 464 -8.959 -1.232 2.141 1.00 0.00 N ATOM 358 CZ ARG A 464 -10.261 -1.524 2.242 1.00 0.00 C ATOM 359 NH1 ARG A 464 -11.005 -0.962 3.187 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.833 -2.345 1.371 1.00 0.00 N ATOM 0 H ARG A 464 -7.125 2.362 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.249 3.902 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.051 1.161 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.614 1.852 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.973 1.775 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.338 0.907 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.226 -0.535 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.731 -0.018 3.843 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.414 -1.786 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -10.585 -0.303 3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -11.997 -1.189 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.280 -2.757 0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -11.826 -2.564 1.453 1.00 0.00 H new ATOM 374 N MET A 465 -4.531 3.642 2.652 1.00 0.00 N ATOM 375 CA MET A 465 -3.110 3.964 2.679 1.00 0.00 C ATOM 376 C MET A 465 -2.435 2.956 3.613 1.00 0.00 C ATOM 377 O MET A 465 -3.034 2.517 4.601 1.00 0.00 O ATOM 378 CB MET A 465 -2.921 5.412 3.159 1.00 0.00 C ATOM 379 CG MET A 465 -1.447 5.850 3.151 1.00 0.00 C ATOM 380 SD MET A 465 -1.124 7.582 3.599 1.00 0.00 S ATOM 381 CE MET A 465 -1.977 7.709 5.188 1.00 0.00 C ATOM 0 H MET A 465 -4.920 3.464 3.578 1.00 0.00 H new ATOM 0 HA MET A 465 -2.659 3.895 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.498 6.081 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.320 5.511 4.168 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.895 5.209 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.042 5.672 2.155 1.00 0.00 H new ATOM 0 HE1 MET A 465 -1.719 8.654 5.665 1.00 0.00 H new ATOM 0 HE2 MET A 465 -3.054 7.666 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 465 -1.673 6.883 5.831 1.00 0.00 H new ATOM 391 N ARG A 466 -1.224 2.515 3.281 1.00 0.00 N ATOM 392 CA ARG A 466 -0.431 1.586 4.086 1.00 0.00 C ATOM 393 C ARG A 466 1.012 2.024 3.948 1.00 0.00 C ATOM 394 O ARG A 466 1.364 2.629 2.931 1.00 0.00 O ATOM 395 CB ARG A 466 -0.600 0.107 3.691 1.00 0.00 C ATOM 396 CG ARG A 466 -0.082 -0.243 2.285 1.00 0.00 C ATOM 397 CD ARG A 466 -0.136 -1.755 2.021 1.00 0.00 C ATOM 398 NE ARG A 466 0.284 -2.086 0.650 1.00 0.00 N ATOM 399 CZ ARG A 466 0.369 -3.295 0.084 1.00 0.00 C ATOM 400 NH1 ARG A 466 0.168 -4.415 0.775 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.662 -3.377 -1.206 1.00 0.00 N ATOM 0 H ARG A 466 -0.754 2.801 2.422 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.777 1.627 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.078 -0.512 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.657 -0.153 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.679 0.279 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.944 0.109 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.508 -2.271 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.151 -2.117 2.188 1.00 0.00 H new ATOM 0 HE ARG A 466 0.542 -1.296 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.059 -4.368 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.241 -5.320 0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.818 -2.527 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.731 -4.290 -1.656 1.00 0.00 H new ATOM 415 N GLN A 467 1.848 1.670 4.913 1.00 0.00 N ATOM 416 CA GLN A 467 3.250 2.036 4.889 1.00 0.00 C ATOM 417 C GLN A 467 4.130 0.891 5.374 1.00 0.00 C ATOM 418 O GLN A 467 3.661 -0.092 5.949 1.00 0.00 O ATOM 419 CB GLN A 467 3.478 3.357 5.646 1.00 0.00 C ATOM 420 CG GLN A 467 2.763 3.428 7.005 1.00 0.00 C ATOM 421 CD GLN A 467 3.066 4.683 7.812 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.085 4.627 9.042 1.00 0.00 O ATOM 423 NE2 GLN A 467 3.260 5.824 7.182 1.00 0.00 N ATOM 0 H GLN A 467 1.572 1.124 5.729 1.00 0.00 H new ATOM 0 HA GLN A 467 3.552 2.218 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.548 3.495 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.137 4.184 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 467 1.687 3.369 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.043 2.555 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 467 3.241 5.853 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 467 3.429 6.678 7.714 1.00 0.00 H new ATOM 432 N ARG A 468 5.420 1.015 5.103 1.00 0.00 N ATOM 433 CA ARG A 468 6.485 0.089 5.462 1.00 0.00 C ATOM 434 C ARG A 468 7.789 0.873 5.492 1.00 0.00 C ATOM 435 O ARG A 468 7.825 2.030 5.091 1.00 0.00 O ATOM 436 CB ARG A 468 6.548 -1.081 4.462 1.00 0.00 C ATOM 437 CG ARG A 468 6.886 -0.604 3.045 1.00 0.00 C ATOM 438 CD ARG A 468 6.834 -1.736 2.029 1.00 0.00 C ATOM 439 NE ARG A 468 7.170 -1.259 0.678 1.00 0.00 N ATOM 440 CZ ARG A 468 7.221 -2.002 -0.432 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.115 -3.328 -0.357 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.360 -1.396 -1.602 1.00 0.00 N ATOM 0 H ARG A 468 5.776 1.822 4.590 1.00 0.00 H new ATOM 0 HA ARG A 468 6.299 -0.349 6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.298 -1.800 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.590 -1.601 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.187 0.178 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.881 -0.160 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.529 -2.523 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.837 -2.177 2.024 1.00 0.00 H new ATOM 0 HE ARG A 468 7.384 -0.267 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.994 -3.780 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.154 -3.892 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.426 -0.379 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.401 -1.946 -2.460 1.00 0.00 H new ATOM 456 N MET A 469 8.873 0.244 5.919 1.00 0.00 N ATOM 457 CA MET A 469 10.194 0.842 5.993 1.00 0.00 C ATOM 458 C MET A 469 11.151 -0.037 5.209 1.00 0.00 C ATOM 459 O MET A 469 10.894 -1.220 4.984 1.00 0.00 O ATOM 460 CB MET A 469 10.630 0.948 7.456 1.00 0.00 C ATOM 461 CG MET A 469 10.031 2.191 8.108 1.00 0.00 C ATOM 462 SD MET A 469 10.104 2.123 9.912 1.00 0.00 S ATOM 463 CE MET A 469 8.344 1.893 10.241 1.00 0.00 C ATOM 0 H MET A 469 8.856 -0.726 6.233 1.00 0.00 H new ATOM 0 HA MET A 469 10.188 1.846 5.570 1.00 0.00 H new ATOM 0 HB2 MET A 469 10.315 0.058 8.000 1.00 0.00 H new ATOM 0 HB3 MET A 469 11.718 0.989 7.515 1.00 0.00 H new ATOM 0 HG2 MET A 469 10.565 3.075 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 469 8.993 2.300 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 469 8.181 1.827 11.317 1.00 0.00 H new ATOM 0 HE2 MET A 469 7.785 2.739 9.840 1.00 0.00 H new ATOM 0 HE3 MET A 469 8.002 0.974 9.765 1.00 0.00 H new ATOM 473 N LEU A 470 12.239 0.555 4.739 1.00 0.00 N ATOM 474 CA LEU A 470 13.269 -0.131 3.987 1.00 0.00 C ATOM 475 C LEU A 470 14.160 -0.803 5.034 1.00 0.00 C ATOM 476 O LEU A 470 14.762 -0.119 5.865 1.00 0.00 O ATOM 477 CB LEU A 470 13.979 0.895 3.093 1.00 0.00 C ATOM 478 CG LEU A 470 15.031 0.333 2.128 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.309 -0.080 2.860 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.500 -0.802 1.249 1.00 0.00 C ATOM 0 H LEU A 470 12.431 1.548 4.875 1.00 0.00 H new ATOM 0 HA LEU A 470 12.904 -0.901 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.224 1.422 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.460 1.634 3.734 1.00 0.00 H new ATOM 0 HG LEU A 470 15.281 1.151 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 470 17.029 -0.473 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.736 0.787 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 470 16.074 -0.849 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.294 -1.154 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.162 -1.623 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.666 -0.438 0.649 1.00 0.00 H new ATOM 492 N LYS A 471 14.169 -2.138 5.062 1.00 0.00 N ATOM 493 CA LYS A 471 14.957 -2.937 5.998 1.00 0.00 C ATOM 494 C LYS A 471 16.365 -3.189 5.470 1.00 0.00 C ATOM 495 O LYS A 471 17.309 -3.201 6.262 1.00 0.00 O ATOM 496 CB LYS A 471 14.272 -4.287 6.246 1.00 0.00 C ATOM 497 CG LYS A 471 13.117 -4.193 7.249 1.00 0.00 C ATOM 498 CD LYS A 471 12.559 -5.588 7.551 1.00 0.00 C ATOM 499 CE LYS A 471 13.551 -6.417 8.376 1.00 0.00 C ATOM 500 NZ LYS A 471 13.150 -7.828 8.493 1.00 0.00 N ATOM 0 H LYS A 471 13.615 -2.704 4.419 1.00 0.00 H new ATOM 0 HA LYS A 471 15.027 -2.375 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.895 -4.677 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.009 -5.001 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.464 -3.725 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.328 -3.558 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.618 -5.496 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.339 -6.104 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.537 -6.361 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.639 -5.985 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.854 -8.343 9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.221 -7.888 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 13.091 -8.252 7.545 1.00 0.00 H new ATOM 514 N ALA A 472 16.515 -3.487 4.180 1.00 0.00 N ATOM 515 CA ALA A 472 17.795 -3.733 3.537 1.00 0.00 C ATOM 516 C ALA A 472 17.692 -3.328 2.075 1.00 0.00 C ATOM 517 O ALA A 472 16.596 -3.261 1.519 1.00 0.00 O ATOM 518 CB ALA A 472 18.204 -5.211 3.677 1.00 0.00 C ATOM 0 H ALA A 472 15.725 -3.565 3.540 1.00 0.00 H new ATOM 0 HA ALA A 472 18.569 -3.139 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.165 -5.370 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.287 -5.467 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.449 -5.843 3.209 1.00 0.00 H new ATOM 524 N GLN A 473 18.836 -3.064 1.456 1.00 0.00 N ATOM 525 CA GLN A 473 18.948 -2.668 0.065 1.00 0.00 C ATOM 526 C GLN A 473 20.271 -3.210 -0.447 1.00 0.00 C ATOM 527 O GLN A 473 21.238 -3.298 0.316 1.00 0.00 O ATOM 528 CB GLN A 473 18.843 -1.137 -0.065 1.00 0.00 C ATOM 529 CG GLN A 473 19.909 -0.348 0.714 1.00 0.00 C ATOM 530 CD GLN A 473 19.522 1.109 0.982 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.213 1.473 2.116 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.596 1.997 0.008 1.00 0.00 N ATOM 0 H GLN A 473 19.739 -3.123 1.927 1.00 0.00 H new ATOM 0 HA GLN A 473 18.136 -3.076 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.913 -0.871 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.857 -0.824 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.094 -0.846 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.845 -0.369 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.852 1.701 -0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.398 2.979 0.197 1.00 0.00 H new ATOM 541 N LEU A 474 20.307 -3.612 -1.712 1.00 0.00 N ATOM 542 CA LEU A 474 21.510 -4.145 -2.337 1.00 0.00 C ATOM 543 C LEU A 474 22.426 -2.998 -2.769 1.00 0.00 C ATOM 544 O LEU A 474 23.582 -3.228 -3.124 1.00 0.00 O ATOM 545 CB LEU A 474 21.156 -5.045 -3.527 1.00 0.00 C ATOM 546 CG LEU A 474 20.155 -6.182 -3.240 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.144 -7.137 -4.439 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.418 -6.971 -1.957 1.00 0.00 C ATOM 0 H LEU A 474 19.500 -3.577 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 474 22.041 -4.757 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.748 -4.420 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.076 -5.486 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 474 19.187 -5.705 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.440 -7.948 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.842 -6.594 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 474 21.142 -7.550 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 474 19.661 -7.747 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 474 21.404 -7.432 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.377 -6.298 -1.101 1.00 0.00 H new ATOM 560 N ASP A 475 21.920 -1.765 -2.782 1.00 0.00 N ATOM 561 CA ASP A 475 22.653 -0.557 -3.136 1.00 0.00 C ATOM 562 C ASP A 475 22.303 0.515 -2.104 1.00 0.00 C ATOM 563 O ASP A 475 21.218 1.103 -2.125 1.00 0.00 O ATOM 564 CB ASP A 475 22.329 -0.126 -4.565 1.00 0.00 C ATOM 565 CG ASP A 475 23.128 1.102 -5.005 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.600 1.884 -4.154 1.00 0.00 O ATOM 567 OD2 ASP A 475 23.296 1.228 -6.239 1.00 0.00 O ATOM 0 H ASP A 475 20.948 -1.577 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 475 23.729 -0.733 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.536 -0.952 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.264 0.092 -4.642 1.00 0.00 H new ATOM 572 N LEU A 476 23.216 0.736 -1.153 1.00 0.00 N ATOM 573 CA LEU A 476 23.086 1.709 -0.065 1.00 0.00 C ATOM 574 C LEU A 476 23.034 3.159 -0.563 1.00 0.00 C ATOM 575 O LEU A 476 22.774 4.067 0.232 1.00 0.00 O ATOM 576 CB LEU A 476 24.242 1.534 0.942 1.00 0.00 C ATOM 577 CG LEU A 476 24.083 0.423 2.001 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.952 0.726 2.991 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.896 -0.976 1.400 1.00 0.00 C ATOM 0 H LEU A 476 24.097 0.224 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 476 22.133 1.510 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.155 1.339 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.385 2.481 1.463 1.00 0.00 H new ATOM 0 HG LEU A 476 25.029 0.416 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.878 -0.083 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.163 1.661 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.010 0.816 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.791 -1.706 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.000 -0.988 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.764 -1.229 0.791 1.00 0.00 H new ATOM 591 N SER A 477 23.312 3.413 -1.840 1.00 0.00 N ATOM 592 CA SER A 477 23.299 4.730 -2.460 1.00 0.00 C ATOM 593 C SER A 477 22.049 4.941 -3.311 1.00 0.00 C ATOM 594 O SER A 477 21.825 6.050 -3.803 1.00 0.00 O ATOM 595 CB SER A 477 24.588 4.909 -3.262 1.00 0.00 C ATOM 596 OG SER A 477 25.685 4.738 -2.381 1.00 0.00 O ATOM 0 H SER A 477 23.563 2.673 -2.496 1.00 0.00 H new ATOM 0 HA SER A 477 23.260 5.496 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.635 4.182 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.618 5.898 -3.718 1.00 0.00 H new ATOM 0 HG SER A 477 26.523 4.847 -2.877 1.00 0.00 H new ATOM 602 N VAL A 478 21.199 3.928 -3.441 1.00 0.00 N ATOM 603 CA VAL A 478 19.966 3.978 -4.205 1.00 0.00 C ATOM 604 C VAL A 478 18.858 3.609 -3.214 1.00 0.00 C ATOM 605 O VAL A 478 18.527 2.428 -3.063 1.00 0.00 O ATOM 606 CB VAL A 478 20.107 3.085 -5.451 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.789 2.886 -6.206 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.120 3.708 -6.427 1.00 0.00 C ATOM 0 H VAL A 478 21.358 3.021 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 478 19.717 4.955 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 478 20.441 2.112 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.959 2.247 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.059 2.416 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.410 3.853 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.216 3.072 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.773 4.696 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.089 3.798 -5.937 1.00 0.00 H new ATOM 618 N PRO A 479 18.334 4.590 -2.456 1.00 0.00 N ATOM 619 CA PRO A 479 17.271 4.341 -1.498 1.00 0.00 C ATOM 620 C PRO A 479 15.971 4.012 -2.225 1.00 0.00 C ATOM 621 O PRO A 479 15.780 4.382 -3.388 1.00 0.00 O ATOM 622 CB PRO A 479 17.104 5.632 -0.707 1.00 0.00 C ATOM 623 CG PRO A 479 17.560 6.709 -1.685 1.00 0.00 C ATOM 624 CD PRO A 479 18.641 6.013 -2.511 1.00 0.00 C ATOM 0 HA PRO A 479 17.512 3.498 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 479 16.070 5.782 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.710 5.629 0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.738 7.055 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.954 7.582 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.639 6.373 -3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.632 6.214 -2.105 1.00 0.00 H new ATOM 632 N CYS A 480 15.052 3.403 -1.486 1.00 0.00 N ATOM 633 CA CYS A 480 13.748 3.001 -1.969 1.00 0.00 C ATOM 634 C CYS A 480 12.651 3.739 -1.195 1.00 0.00 C ATOM 635 O CYS A 480 12.212 3.263 -0.145 1.00 0.00 O ATOM 636 CB CYS A 480 13.617 1.480 -1.885 1.00 0.00 C ATOM 637 SG CYS A 480 14.062 0.625 -3.424 1.00 0.00 S ATOM 0 H CYS A 480 15.204 3.171 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 480 13.632 3.277 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.252 1.113 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.590 1.226 -1.622 1.00 0.00 H new ATOM 642 N PRO A 481 12.190 4.899 -1.690 1.00 0.00 N ATOM 643 CA PRO A 481 11.141 5.704 -1.065 1.00 0.00 C ATOM 644 C PRO A 481 9.732 5.093 -1.224 1.00 0.00 C ATOM 645 O PRO A 481 8.750 5.712 -0.810 1.00 0.00 O ATOM 646 CB PRO A 481 11.258 7.077 -1.737 1.00 0.00 C ATOM 647 CG PRO A 481 11.717 6.709 -3.141 1.00 0.00 C ATOM 648 CD PRO A 481 12.656 5.543 -2.910 1.00 0.00 C ATOM 0 HA PRO A 481 11.274 5.760 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.306 7.608 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.977 7.719 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.878 6.429 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.223 7.542 -3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.635 4.850 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.686 5.884 -2.804 1.00 0.00 H new ATOM 656 N ASP A 482 9.603 3.886 -1.782 1.00 0.00 N ATOM 657 CA ASP A 482 8.379 3.107 -2.026 1.00 0.00 C ATOM 658 C ASP A 482 7.842 2.515 -0.712 1.00 0.00 C ATOM 659 O ASP A 482 7.436 1.351 -0.613 1.00 0.00 O ATOM 660 CB ASP A 482 8.694 1.972 -3.005 1.00 0.00 C ATOM 661 CG ASP A 482 9.164 2.466 -4.364 1.00 0.00 C ATOM 662 OD1 ASP A 482 10.337 2.908 -4.455 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.386 2.383 -5.334 1.00 0.00 O ATOM 0 H ASP A 482 10.427 3.380 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 482 7.619 3.765 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.463 1.331 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.804 1.357 -3.137 1.00 0.00 H new ATOM 668 N THR A 483 7.902 3.305 0.347 1.00 0.00 N ATOM 669 CA THR A 483 7.483 2.985 1.687 1.00 0.00 C ATOM 670 C THR A 483 5.981 3.139 1.860 1.00 0.00 C ATOM 671 O THR A 483 5.509 2.781 2.929 1.00 0.00 O ATOM 672 CB THR A 483 8.285 3.897 2.635 1.00 0.00 C ATOM 673 OG1 THR A 483 8.210 5.247 2.220 1.00 0.00 O ATOM 674 CG2 THR A 483 9.768 3.487 2.654 1.00 0.00 C ATOM 0 H THR A 483 8.273 4.253 0.280 1.00 0.00 H new ATOM 0 HA THR A 483 7.685 1.939 1.917 1.00 0.00 H new ATOM 0 HB THR A 483 7.852 3.790 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 483 8.725 5.808 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.318 4.143 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.856 2.456 2.997 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.182 3.571 1.649 1.00 0.00 H new ATOM 682 N GLN A 484 5.225 3.637 0.871 1.00 0.00 N ATOM 683 CA GLN A 484 3.781 3.823 1.000 1.00 0.00 C ATOM 684 C GLN A 484 3.047 3.382 -0.261 1.00 0.00 C ATOM 685 O GLN A 484 3.494 3.671 -1.374 1.00 0.00 O ATOM 686 CB GLN A 484 3.445 5.288 1.330 1.00 0.00 C ATOM 687 CG GLN A 484 4.348 5.891 2.421 1.00 0.00 C ATOM 688 CD GLN A 484 3.704 7.059 3.155 1.00 0.00 C ATOM 689 OE1 GLN A 484 2.852 7.764 2.615 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.063 7.271 4.411 1.00 0.00 N ATOM 0 H GLN A 484 5.599 3.920 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 484 3.443 3.194 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 484 3.534 5.887 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.406 5.351 1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 484 4.604 5.114 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.281 6.225 1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.771 6.679 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.632 8.026 4.944 1.00 0.00 H new ATOM 699 N ASP A 485 1.914 2.698 -0.086 1.00 0.00 N ATOM 700 CA ASP A 485 1.055 2.193 -1.167 1.00 0.00 C ATOM 701 C ASP A 485 -0.392 2.601 -0.889 1.00 0.00 C ATOM 702 O ASP A 485 -0.754 2.851 0.266 1.00 0.00 O ATOM 703 CB ASP A 485 1.169 0.669 -1.290 1.00 0.00 C ATOM 704 CG ASP A 485 0.802 0.095 -2.664 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.341 0.834 -3.571 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.985 -1.134 -2.825 1.00 0.00 O ATOM 0 H ASP A 485 1.555 2.471 0.841 1.00 0.00 H new ATOM 0 HA ASP A 485 1.380 2.627 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.192 0.377 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.525 0.211 -0.539 1.00 0.00 H new ATOM 711 N PHE A 486 -1.222 2.651 -1.933 1.00 0.00 N ATOM 712 CA PHE A 486 -2.624 3.044 -1.866 1.00 0.00 C ATOM 713 C PHE A 486 -3.469 2.121 -2.743 1.00 0.00 C ATOM 714 O PHE A 486 -3.395 2.227 -3.969 1.00 0.00 O ATOM 715 CB PHE A 486 -2.782 4.502 -2.337 1.00 0.00 C ATOM 716 CG PHE A 486 -2.300 5.584 -1.387 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.923 5.852 -1.251 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.233 6.369 -0.683 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.478 6.867 -0.389 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.790 7.402 0.161 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.415 7.641 0.316 1.00 0.00 C ATOM 0 H PHE A 486 -0.923 2.410 -2.878 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.965 2.963 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.247 4.614 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.837 4.679 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.206 5.273 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.290 6.177 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.579 7.052 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.507 8.012 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.076 8.423 0.980 1.00 0.00 H new ATOM 731 N GLN A 487 -4.226 1.191 -2.148 1.00 0.00 N ATOM 732 CA GLN A 487 -5.091 0.262 -2.882 1.00 0.00 C ATOM 733 C GLN A 487 -6.534 0.755 -2.808 1.00 0.00 C ATOM 734 O GLN A 487 -6.880 1.465 -1.858 1.00 0.00 O ATOM 735 CB GLN A 487 -5.015 -1.166 -2.311 1.00 0.00 C ATOM 736 CG GLN A 487 -4.029 -2.076 -3.059 1.00 0.00 C ATOM 737 CD GLN A 487 -2.582 -1.597 -3.053 1.00 0.00 C ATOM 738 OE1 GLN A 487 -1.753 -2.122 -2.321 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.196 -0.652 -3.892 1.00 0.00 N ATOM 0 H GLN A 487 -4.255 1.062 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.747 0.229 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.724 -1.114 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.008 -1.615 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.069 -3.071 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.360 -2.173 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.877 -0.207 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.217 -0.368 -3.925 1.00 0.00 H new ATOM 748 N PRO A 488 -7.377 0.371 -3.777 1.00 0.00 N ATOM 749 CA PRO A 488 -8.774 0.762 -3.846 1.00 0.00 C ATOM 750 C PRO A 488 -9.585 0.138 -2.718 1.00 0.00 C ATOM 751 O PRO A 488 -9.236 -0.923 -2.194 1.00 0.00 O ATOM 752 CB PRO A 488 -9.275 0.244 -5.196 1.00 0.00 C ATOM 753 CG PRO A 488 -8.393 -0.985 -5.409 1.00 0.00 C ATOM 754 CD PRO A 488 -7.053 -0.472 -4.914 1.00 0.00 C ATOM 0 HA PRO A 488 -8.882 1.842 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.334 -0.013 -5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.147 0.981 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.741 -1.846 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.357 -1.290 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.398 -1.293 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.534 0.091 -5.689 1.00 0.00 H new ATOM 762 N CYS A 489 -10.683 0.790 -2.358 1.00 0.00 N ATOM 763 CA CYS A 489 -11.590 0.318 -1.318 1.00 0.00 C ATOM 764 C CYS A 489 -12.964 0.942 -1.503 1.00 0.00 C ATOM 765 O CYS A 489 -13.145 1.776 -2.386 1.00 0.00 O ATOM 766 CB CYS A 489 -11.016 0.695 0.046 1.00 0.00 C ATOM 767 SG CYS A 489 -10.795 2.463 0.336 1.00 0.00 S ATOM 0 H CYS A 489 -10.973 1.671 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.694 -0.765 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -11.673 0.297 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.051 0.202 0.163 1.00 0.00 H new ATOM 772 N MET A 490 -13.929 0.564 -0.672 1.00 0.00 N ATOM 773 CA MET A 490 -15.284 1.099 -0.698 1.00 0.00 C ATOM 774 C MET A 490 -15.757 1.257 0.746 1.00 0.00 C ATOM 775 O MET A 490 -15.242 0.596 1.659 1.00 0.00 O ATOM 776 CB MET A 490 -16.243 0.188 -1.485 1.00 0.00 C ATOM 777 CG MET A 490 -15.857 0.036 -2.963 1.00 0.00 C ATOM 778 SD MET A 490 -17.099 -0.742 -4.039 1.00 0.00 S ATOM 779 CE MET A 490 -17.162 -2.407 -3.328 1.00 0.00 C ATOM 0 H MET A 490 -13.787 -0.138 0.054 1.00 0.00 H new ATOM 0 HA MET A 490 -15.281 2.063 -1.207 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.263 -0.797 -1.018 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.253 0.592 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.629 1.025 -3.361 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.939 -0.550 -3.019 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.882 -3.011 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.176 -2.868 -3.393 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.466 -2.345 -2.283 1.00 0.00 H new ATOM 789 N GLY A 491 -16.745 2.121 0.951 1.00 0.00 N ATOM 790 CA GLY A 491 -17.351 2.401 2.247 1.00 0.00 C ATOM 791 C GLY A 491 -18.200 1.231 2.760 1.00 0.00 C ATOM 792 O GLY A 491 -18.215 0.161 2.151 1.00 0.00 O ATOM 0 H GLY A 491 -17.160 2.664 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.567 2.623 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.974 3.292 2.169 1.00 0.00 H new