USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=16 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 452 SER OG : rot 140:sc= -0.0495 USER MOD Set 1.2: A 465 MET CE :methyl -140:sc= 0 (180deg=-0.0161) USER MOD Single : A 440 SER OG : rot 180:sc= 0.00775 USER MOD Single : A 442 THR OG1 : rot 63:sc= 0.0926 USER MOD Single : A 445 TYR OH : rot -32:sc= 0.36 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 85:sc= 0.405 USER MOD Single : A 456 SER OG : rot -148:sc= 0.527 USER MOD Single : A 457 SER OG : rot 180:sc= 0.102 USER MOD Single : A 458 THR OG1 : 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 467 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.223) USER MOD Single : A 473 GLN : amide:sc= 0.453 X(o=0.45,f=-0.0027) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot -94:sc= 0.101 USER MOD Single : A 484 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 490 MET CE :methyl 172:sc= -0.174 (180deg=-0.369) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 13.720 -2.262 -10.898 1.00 0.00 N ATOM 2 CA GLY A 439 12.999 -3.230 -10.060 1.00 0.00 C ATOM 3 C GLY A 439 12.993 -2.795 -8.606 1.00 0.00 C ATOM 4 O GLY A 439 13.739 -1.892 -8.222 1.00 0.00 O ATOM 0 HA2 GLY A 439 11.974 -3.332 -10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 439 13.466 -4.211 -10.148 1.00 0.00 H new ATOM 8 N SER A 440 12.135 -3.410 -7.787 1.00 0.00 N ATOM 9 CA SER A 440 12.017 -3.116 -6.357 1.00 0.00 C ATOM 10 C SER A 440 12.878 -4.060 -5.506 1.00 0.00 C ATOM 11 O SER A 440 12.995 -3.872 -4.294 1.00 0.00 O ATOM 12 CB SER A 440 10.534 -3.114 -5.952 1.00 0.00 C ATOM 13 OG SER A 440 9.817 -4.221 -6.487 1.00 0.00 O ATOM 0 H SER A 440 11.494 -4.137 -8.104 1.00 0.00 H new ATOM 0 HA SER A 440 12.413 -2.119 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 440 10.459 -3.129 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.070 -2.188 -6.291 1.00 0.00 H new ATOM 0 HG SER A 440 8.881 -4.174 -6.199 1.00 0.00 H new ATOM 19 N GLU A 441 13.480 -5.057 -6.157 1.00 0.00 N ATOM 20 CA GLU A 441 14.363 -6.107 -5.638 1.00 0.00 C ATOM 21 C GLU A 441 15.620 -5.547 -4.977 1.00 0.00 C ATOM 22 O GLU A 441 16.221 -6.216 -4.135 1.00 0.00 O ATOM 23 CB GLU A 441 14.741 -7.055 -6.786 1.00 0.00 C ATOM 24 CG GLU A 441 15.494 -6.342 -7.923 1.00 0.00 C ATOM 25 CD GLU A 441 17.027 -6.414 -7.915 1.00 0.00 C ATOM 26 OE1 GLU A 441 17.640 -7.321 -7.309 1.00 0.00 O ATOM 27 OE2 GLU A 441 17.626 -5.584 -8.634 1.00 0.00 O ATOM 0 H GLU A 441 13.349 -5.161 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 441 13.820 -6.647 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.361 -7.862 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.836 -7.513 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.143 -6.755 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 441 15.207 -5.291 -7.908 1.00 0.00 H new ATOM 34 N THR A 442 16.016 -4.327 -5.352 1.00 0.00 N ATOM 35 CA THR A 442 17.167 -3.607 -4.824 1.00 0.00 C ATOM 36 C THR A 442 16.928 -3.234 -3.356 1.00 0.00 C ATOM 37 O THR A 442 17.817 -2.692 -2.705 1.00 0.00 O ATOM 38 CB THR A 442 17.385 -2.327 -5.655 1.00 0.00 C ATOM 39 OG1 THR A 442 16.137 -1.700 -5.895 1.00 0.00 O ATOM 40 CG2 THR A 442 18.011 -2.636 -7.012 1.00 0.00 C ATOM 0 H THR A 442 15.517 -3.795 -6.065 1.00 0.00 H new ATOM 0 HA THR A 442 18.050 -4.243 -4.885 1.00 0.00 H new ATOM 0 HB THR A 442 18.054 -1.681 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 442 15.737 -1.431 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 442 18.149 -1.709 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 442 18.977 -3.119 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 442 17.354 -3.301 -7.573 1.00 0.00 H new ATOM 48 N CYS A 443 15.756 -3.565 -2.811 1.00 0.00 N ATOM 49 CA CYS A 443 15.343 -3.265 -1.458 1.00 0.00 C ATOM 50 C CYS A 443 14.746 -4.482 -0.757 1.00 0.00 C ATOM 51 O CYS A 443 14.149 -5.355 -1.392 1.00 0.00 O ATOM 52 CB CYS A 443 14.265 -2.204 -1.608 1.00 0.00 C ATOM 53 SG CYS A 443 14.707 -0.786 -2.648 1.00 0.00 S ATOM 0 H CYS A 443 15.043 -4.073 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 443 16.194 -2.944 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.373 -2.673 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.000 -1.837 -0.616 1.00 0.00 H new ATOM 58 N ILE A 444 14.837 -4.487 0.571 1.00 0.00 N ATOM 59 CA ILE A 444 14.346 -5.503 1.488 1.00 0.00 C ATOM 60 C ILE A 444 13.522 -4.712 2.498 1.00 0.00 C ATOM 61 O ILE A 444 14.060 -4.086 3.410 1.00 0.00 O ATOM 62 CB ILE A 444 15.523 -6.273 2.128 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.322 -7.124 1.118 1.00 0.00 C ATOM 64 CG2 ILE A 444 15.094 -7.134 3.333 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.517 -8.238 0.440 1.00 0.00 C ATOM 0 H ILE A 444 15.291 -3.721 1.068 1.00 0.00 H new ATOM 0 HA ILE A 444 13.745 -6.276 1.009 1.00 0.00 H new ATOM 0 HB ILE A 444 16.190 -5.492 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.725 -6.466 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.172 -7.571 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.964 -7.650 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.660 -6.494 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.354 -7.867 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.160 -8.782 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.136 -8.924 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.682 -7.802 -0.108 1.00 0.00 H new ATOM 77 N TYR A 445 12.212 -4.678 2.303 1.00 0.00 N ATOM 78 CA TYR A 445 11.278 -3.966 3.160 1.00 0.00 C ATOM 79 C TYR A 445 10.651 -4.930 4.163 1.00 0.00 C ATOM 80 O TYR A 445 10.753 -6.153 4.023 1.00 0.00 O ATOM 81 CB TYR A 445 10.153 -3.373 2.301 1.00 0.00 C ATOM 82 CG TYR A 445 10.509 -2.929 0.894 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.519 -3.865 -0.157 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.767 -1.578 0.618 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.808 -3.460 -1.470 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.018 -1.154 -0.693 1.00 0.00 C ATOM 87 CZ TYR A 445 11.050 -2.098 -1.746 1.00 0.00 C ATOM 88 OH TYR A 445 11.392 -1.718 -3.005 1.00 0.00 O ATOM 0 H TYR A 445 11.759 -5.157 1.525 1.00 0.00 H new ATOM 0 HA TYR A 445 11.816 -3.178 3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.357 -4.115 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.741 -2.514 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.303 -4.903 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.772 -0.859 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.845 -4.189 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.187 -0.108 -0.900 1.00 0.00 H new ATOM 0 HH TYR A 445 11.905 -2.434 -3.435 1.00 0.00 H new ATOM 98 N SER A 446 10.012 -4.375 5.190 1.00 0.00 N ATOM 99 CA SER A 446 9.321 -5.182 6.190 1.00 0.00 C ATOM 100 C SER A 446 7.924 -5.540 5.656 1.00 0.00 C ATOM 101 O SER A 446 7.480 -5.023 4.626 1.00 0.00 O ATOM 102 CB SER A 446 9.232 -4.448 7.531 1.00 0.00 C ATOM 103 OG SER A 446 9.011 -5.411 8.547 1.00 0.00 O ATOM 0 H SER A 446 9.959 -3.369 5.351 1.00 0.00 H new ATOM 0 HA SER A 446 9.885 -6.097 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.152 -3.895 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.421 -3.720 7.513 1.00 0.00 H new ATOM 0 HG SER A 446 8.952 -4.962 9.416 1.00 0.00 H new ATOM 109 N ASN A 447 7.232 -6.435 6.367 1.00 0.00 N ATOM 110 CA ASN A 447 5.890 -6.890 6.018 1.00 0.00 C ATOM 111 C ASN A 447 4.970 -5.690 5.966 1.00 0.00 C ATOM 112 O ASN A 447 4.931 -4.951 6.950 1.00 0.00 O ATOM 113 CB ASN A 447 5.341 -7.902 7.042 1.00 0.00 C ATOM 114 CG ASN A 447 4.995 -9.202 6.349 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.833 -9.556 6.148 1.00 0.00 O ATOM 116 ND2 ASN A 447 6.023 -9.902 5.916 1.00 0.00 N ATOM 0 H ASN A 447 7.598 -6.869 7.215 1.00 0.00 H new ATOM 0 HA ASN A 447 5.940 -7.389 5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 447 6.082 -8.082 7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.456 -7.494 7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 447 5.869 -10.766 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 447 6.973 -9.580 6.100 1.00 0.00 H new ATOM 123 N TRP A 448 4.213 -5.501 4.883 1.00 0.00 N ATOM 124 CA TRP A 448 3.318 -4.346 4.794 1.00 0.00 C ATOM 125 C TRP A 448 2.375 -4.325 5.997 1.00 0.00 C ATOM 126 O TRP A 448 1.950 -5.375 6.496 1.00 0.00 O ATOM 127 CB TRP A 448 2.460 -4.284 3.519 1.00 0.00 C ATOM 128 CG TRP A 448 3.098 -3.979 2.192 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.407 -4.890 1.245 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.408 -2.679 1.594 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.900 -4.258 0.122 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.934 -2.889 0.285 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.314 -1.339 2.021 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.399 -1.832 -0.515 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.808 -0.278 1.243 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.412 -0.526 0.004 1.00 0.00 C ATOM 0 H TRP A 448 4.201 -6.119 4.071 1.00 0.00 H new ATOM 0 HA TRP A 448 3.981 -3.481 4.772 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.956 -5.245 3.422 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.687 -3.534 3.686 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.286 -5.958 1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.202 -4.743 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.850 -1.122 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.744 -2.021 -1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.721 0.736 1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.882 0.276 -0.546 1.00 0.00 H new ATOM 147 N SER A 449 2.133 -3.128 6.507 1.00 0.00 N ATOM 148 CA SER A 449 1.237 -2.860 7.622 1.00 0.00 C ATOM 149 C SER A 449 -0.198 -2.789 7.050 1.00 0.00 C ATOM 150 O SER A 449 -0.383 -2.722 5.824 1.00 0.00 O ATOM 151 CB SER A 449 1.688 -1.537 8.272 1.00 0.00 C ATOM 152 OG SER A 449 2.986 -1.675 8.818 1.00 0.00 O ATOM 0 H SER A 449 2.572 -2.283 6.142 1.00 0.00 H new ATOM 0 HA SER A 449 1.258 -3.634 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.681 -0.739 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.986 -1.251 9.055 1.00 0.00 H new ATOM 0 HG SER A 449 3.261 -0.828 9.226 1.00 0.00 H new ATOM 158 N PRO A 450 -1.247 -2.809 7.887 1.00 0.00 N ATOM 159 CA PRO A 450 -2.614 -2.724 7.394 1.00 0.00 C ATOM 160 C PRO A 450 -2.861 -1.349 6.764 1.00 0.00 C ATOM 161 O PRO A 450 -2.098 -0.396 6.945 1.00 0.00 O ATOM 162 CB PRO A 450 -3.518 -2.986 8.597 1.00 0.00 C ATOM 163 CG PRO A 450 -2.647 -2.585 9.783 1.00 0.00 C ATOM 164 CD PRO A 450 -1.227 -2.903 9.335 1.00 0.00 C ATOM 0 HA PRO A 450 -2.818 -3.455 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.432 -2.394 8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.819 -4.032 8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.761 -1.527 10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.915 -3.144 10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.513 -2.200 9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.927 -3.899 9.659 1.00 0.00 H new ATOM 172 N TRP A 451 -3.913 -1.266 5.960 1.00 0.00 N ATOM 173 CA TRP A 451 -4.297 -0.047 5.277 1.00 0.00 C ATOM 174 C TRP A 451 -4.957 0.927 6.247 1.00 0.00 C ATOM 175 O TRP A 451 -5.529 0.506 7.261 1.00 0.00 O ATOM 176 CB TRP A 451 -5.304 -0.430 4.194 1.00 0.00 C ATOM 177 CG TRP A 451 -4.777 -1.258 3.068 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.922 -2.593 2.919 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.050 -0.807 1.898 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.311 -2.995 1.746 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.747 -1.930 1.079 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.612 0.451 1.456 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.006 -1.809 -0.101 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.898 0.593 0.259 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.571 -0.536 -0.511 1.00 0.00 C ATOM 0 H TRP A 451 -4.528 -2.056 5.764 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.416 0.435 4.853 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.124 -0.973 4.665 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -5.725 0.485 3.778 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.436 -3.245 3.610 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.282 -3.960 1.416 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.830 1.326 2.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.771 -2.683 -0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.597 1.575 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -1.988 -0.427 -1.414 1.00 0.00 H new ATOM 196 N SER A 452 -4.914 2.218 5.918 1.00 0.00 N ATOM 197 CA SER A 452 -5.512 3.278 6.690 1.00 0.00 C ATOM 198 C SER A 452 -7.018 3.257 6.441 1.00 0.00 C ATOM 199 O SER A 452 -7.557 2.430 5.687 1.00 0.00 O ATOM 200 CB SER A 452 -4.922 4.613 6.206 1.00 0.00 C ATOM 201 OG SER A 452 -5.217 4.815 4.831 1.00 0.00 O ATOM 0 H SER A 452 -4.444 2.553 5.077 1.00 0.00 H new ATOM 0 HA SER A 452 -5.315 3.153 7.755 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.330 5.434 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.843 4.617 6.357 1.00 0.00 H new ATOM 0 HG SER A 452 -5.446 5.756 4.680 1.00 0.00 H new ATOM 207 N ALA A 453 -7.708 4.175 7.097 1.00 0.00 N ATOM 208 CA ALA A 453 -9.130 4.364 6.982 1.00 0.00 C ATOM 209 C ALA A 453 -9.411 4.742 5.528 1.00 0.00 C ATOM 210 O ALA A 453 -8.893 5.748 5.036 1.00 0.00 O ATOM 211 CB ALA A 453 -9.512 5.485 7.930 1.00 0.00 C ATOM 0 H ALA A 453 -7.270 4.829 7.746 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.705 3.474 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.586 5.660 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.244 5.207 8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.981 6.395 7.650 1.00 0.00 H new ATOM 217 N CYS A 454 -10.184 3.914 4.832 1.00 0.00 N ATOM 218 CA CYS A 454 -10.572 4.099 3.448 1.00 0.00 C ATOM 219 C CYS A 454 -11.119 5.500 3.245 1.00 0.00 C ATOM 220 O CYS A 454 -12.030 5.934 3.956 1.00 0.00 O ATOM 221 CB CYS A 454 -11.568 3.009 3.076 1.00 0.00 C ATOM 222 SG CYS A 454 -10.807 1.371 2.960 1.00 0.00 S ATOM 0 H CYS A 454 -10.570 3.062 5.239 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.712 4.007 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.365 2.982 3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.031 3.257 2.121 1.00 0.00 H new ATOM 227 N SER A 455 -10.544 6.179 2.253 1.00 0.00 N ATOM 228 CA SER A 455 -10.898 7.543 1.871 1.00 0.00 C ATOM 229 C SER A 455 -12.413 7.700 1.741 1.00 0.00 C ATOM 230 O SER A 455 -12.982 8.696 2.190 1.00 0.00 O ATOM 231 CB SER A 455 -10.191 7.909 0.565 1.00 0.00 C ATOM 232 OG SER A 455 -8.795 7.705 0.681 1.00 0.00 O ATOM 0 H SER A 455 -9.800 5.784 1.678 1.00 0.00 H new ATOM 0 HA SER A 455 -10.567 8.227 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 455 -10.586 7.304 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.392 8.951 0.315 1.00 0.00 H new ATOM 0 HG SER A 455 -8.584 6.768 0.486 1.00 0.00 H new ATOM 238 N SER A 456 -13.066 6.740 1.087 1.00 0.00 N ATOM 239 CA SER A 456 -14.515 6.780 0.939 1.00 0.00 C ATOM 240 C SER A 456 -15.069 6.140 2.202 1.00 0.00 C ATOM 241 O SER A 456 -14.921 4.931 2.416 1.00 0.00 O ATOM 242 CB SER A 456 -15.027 6.044 -0.293 1.00 0.00 C ATOM 243 OG SER A 456 -16.366 6.355 -0.590 1.00 0.00 O ATOM 0 H SER A 456 -12.617 5.932 0.655 1.00 0.00 H new ATOM 0 HA SER A 456 -14.841 7.811 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.401 6.296 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 456 -14.934 4.970 -0.135 1.00 0.00 H new ATOM 0 HG SER A 456 -16.802 5.575 -0.992 1.00 0.00 H new ATOM 249 N SER A 457 -15.681 6.962 3.039 1.00 0.00 N ATOM 250 CA SER A 457 -16.296 6.548 4.286 1.00 0.00 C ATOM 251 C SER A 457 -17.595 5.768 4.027 1.00 0.00 C ATOM 252 O SER A 457 -18.183 5.237 4.970 1.00 0.00 O ATOM 253 CB SER A 457 -16.509 7.792 5.157 1.00 0.00 C ATOM 254 OG SER A 457 -16.904 8.914 4.385 1.00 0.00 O ATOM 0 H SER A 457 -15.765 7.963 2.863 1.00 0.00 H new ATOM 0 HA SER A 457 -15.642 5.860 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.269 7.583 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 457 -15.587 8.024 5.691 1.00 0.00 H new ATOM 0 HG SER A 457 -17.032 9.687 4.973 1.00 0.00 H new ATOM 260 N THR A 458 -18.037 5.665 2.770 1.00 0.00 N ATOM 261 CA THR A 458 -19.239 4.953 2.367 1.00 0.00 C ATOM 262 C THR A 458 -18.924 3.929 1.292 1.00 0.00 C ATOM 263 O THR A 458 -17.800 3.893 0.784 1.00 0.00 O ATOM 264 CB THR A 458 -20.334 5.940 1.927 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.922 6.767 0.859 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.733 6.834 3.095 1.00 0.00 C ATOM 0 H THR A 458 -17.547 6.092 1.984 1.00 0.00 H new ATOM 0 HA THR A 458 -19.626 4.406 3.227 1.00 0.00 H new ATOM 0 HB THR A 458 -21.177 5.337 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.652 7.374 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.509 7.529 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.113 6.219 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.863 7.394 3.438 1.00 0.00 H new ATOM 274 N CYS A 459 -19.909 3.106 0.913 1.00 0.00 N ATOM 275 CA CYS A 459 -19.765 2.071 -0.109 1.00 0.00 C ATOM 276 C CYS A 459 -19.263 2.608 -1.449 1.00 0.00 C ATOM 277 O CYS A 459 -18.915 1.814 -2.321 1.00 0.00 O ATOM 278 CB CYS A 459 -21.067 1.282 -0.285 1.00 0.00 C ATOM 279 SG CYS A 459 -21.671 0.432 1.199 1.00 0.00 S ATOM 0 H CYS A 459 -20.845 3.144 1.318 1.00 0.00 H new ATOM 0 HA CYS A 459 -18.993 1.393 0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.842 1.966 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -20.920 0.542 -1.072 1.00 0.00 H new ATOM 284 N GLU A 460 -19.245 3.927 -1.641 1.00 0.00 N ATOM 285 CA GLU A 460 -18.752 4.546 -2.851 1.00 0.00 C ATOM 286 C GLU A 460 -17.269 4.196 -3.001 1.00 0.00 C ATOM 287 O GLU A 460 -16.564 3.954 -2.012 1.00 0.00 O ATOM 288 CB GLU A 460 -18.965 6.071 -2.788 1.00 0.00 C ATOM 289 CG GLU A 460 -19.891 6.550 -3.906 1.00 0.00 C ATOM 290 CD GLU A 460 -19.219 6.451 -5.282 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.918 5.322 -5.732 1.00 0.00 O ATOM 292 OE2 GLU A 460 -18.971 7.504 -5.917 1.00 0.00 O ATOM 0 H GLU A 460 -19.578 4.596 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.297 4.175 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -19.389 6.341 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -18.003 6.578 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.803 5.954 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.184 7.583 -3.718 1.00 0.00 H new ATOM 299 N LYS A 461 -16.783 4.160 -4.237 1.00 0.00 N ATOM 300 CA LYS A 461 -15.390 3.838 -4.501 1.00 0.00 C ATOM 301 C LYS A 461 -14.481 4.934 -3.961 1.00 0.00 C ATOM 302 O LYS A 461 -14.825 6.116 -4.017 1.00 0.00 O ATOM 303 CB LYS A 461 -15.169 3.732 -6.019 1.00 0.00 C ATOM 304 CG LYS A 461 -15.571 2.385 -6.624 1.00 0.00 C ATOM 305 CD LYS A 461 -14.529 1.293 -6.336 1.00 0.00 C ATOM 306 CE LYS A 461 -14.784 0.129 -7.294 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.743 -0.912 -7.223 1.00 0.00 N ATOM 0 H LYS A 461 -17.337 4.351 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.154 2.893 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.736 4.522 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -14.116 3.913 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.537 2.080 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.695 2.494 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.521 1.684 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.604 0.958 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.752 -0.317 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -14.840 0.510 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -13.968 -1.675 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -12.821 -0.498 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.704 -1.299 -6.258 1.00 0.00 H new ATOM 321 N GLY A 462 -13.302 4.535 -3.502 1.00 0.00 N ATOM 322 CA GLY A 462 -12.257 5.394 -2.977 1.00 0.00 C ATOM 323 C GLY A 462 -10.973 4.590 -2.901 1.00 0.00 C ATOM 324 O GLY A 462 -10.909 3.467 -3.417 1.00 0.00 O ATOM 0 H GLY A 462 -13.038 3.550 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.123 6.264 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.531 5.766 -1.990 1.00 0.00 H new ATOM 328 N LYS A 463 -9.945 5.130 -2.251 1.00 0.00 N ATOM 329 CA LYS A 463 -8.653 4.475 -2.101 1.00 0.00 C ATOM 330 C LYS A 463 -8.257 4.293 -0.642 1.00 0.00 C ATOM 331 O LYS A 463 -8.921 4.753 0.289 1.00 0.00 O ATOM 332 CB LYS A 463 -7.566 5.263 -2.865 1.00 0.00 C ATOM 333 CG LYS A 463 -7.901 5.535 -4.341 1.00 0.00 C ATOM 334 CD LYS A 463 -6.742 6.295 -4.995 1.00 0.00 C ATOM 335 CE LYS A 463 -6.969 6.584 -6.484 1.00 0.00 C ATOM 336 NZ LYS A 463 -7.876 7.726 -6.742 1.00 0.00 N ATOM 0 H LYS A 463 -9.989 6.048 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.744 3.477 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.402 6.215 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.629 4.709 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.075 4.595 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.820 6.117 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.591 7.237 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.826 5.716 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -6.007 6.783 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.379 5.693 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -7.981 7.861 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.807 7.532 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -7.478 8.588 -6.319 1.00 0.00 H new ATOM 350 N ARG A 464 -7.151 3.589 -0.451 1.00 0.00 N ATOM 351 CA ARG A 464 -6.498 3.288 0.812 1.00 0.00 C ATOM 352 C ARG A 464 -5.044 3.734 0.703 1.00 0.00 C ATOM 353 O ARG A 464 -4.497 3.723 -0.400 1.00 0.00 O ATOM 354 CB ARG A 464 -6.525 1.794 1.076 1.00 0.00 C ATOM 355 CG ARG A 464 -7.863 1.160 0.762 1.00 0.00 C ATOM 356 CD ARG A 464 -7.936 -0.205 1.417 1.00 0.00 C ATOM 357 NE ARG A 464 -8.755 -1.153 0.636 1.00 0.00 N ATOM 358 CZ ARG A 464 -9.709 -1.971 1.102 1.00 0.00 C ATOM 359 NH1 ARG A 464 -9.909 -2.175 2.397 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.519 -2.573 0.240 1.00 0.00 N ATOM 0 H ARG A 464 -6.648 3.182 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.013 3.802 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.752 1.311 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.280 1.611 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.673 1.794 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -7.990 1.066 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -6.929 -0.606 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.355 -0.104 2.418 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.575 -1.189 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.324 -1.700 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -10.648 -2.807 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.410 -2.410 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -11.250 -3.199 0.579 1.00 0.00 H new ATOM 374 N MET A 465 -4.382 3.965 1.837 1.00 0.00 N ATOM 375 CA MET A 465 -2.999 4.424 1.916 1.00 0.00 C ATOM 376 C MET A 465 -2.231 3.578 2.943 1.00 0.00 C ATOM 377 O MET A 465 -2.607 3.545 4.116 1.00 0.00 O ATOM 378 CB MET A 465 -3.130 5.913 2.297 1.00 0.00 C ATOM 379 CG MET A 465 -1.866 6.673 2.681 1.00 0.00 C ATOM 380 SD MET A 465 -2.203 8.234 3.538 1.00 0.00 S ATOM 381 CE MET A 465 -2.551 7.616 5.207 1.00 0.00 C ATOM 0 H MET A 465 -4.809 3.833 2.754 1.00 0.00 H new ATOM 0 HA MET A 465 -2.428 4.317 0.993 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.588 6.433 1.455 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.827 5.983 3.132 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.250 6.041 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.286 6.878 1.781 1.00 0.00 H new ATOM 0 HE1 MET A 465 -3.382 8.175 5.636 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.812 6.559 5.156 1.00 0.00 H new ATOM 0 HE3 MET A 465 -1.668 7.742 5.833 1.00 0.00 H new ATOM 391 N ARG A 466 -1.191 2.840 2.533 1.00 0.00 N ATOM 392 CA ARG A 466 -0.374 2.003 3.432 1.00 0.00 C ATOM 393 C ARG A 466 1.111 2.329 3.275 1.00 0.00 C ATOM 394 O ARG A 466 1.498 2.839 2.217 1.00 0.00 O ATOM 395 CB ARG A 466 -0.663 0.509 3.201 1.00 0.00 C ATOM 396 CG ARG A 466 -0.038 -0.057 1.922 1.00 0.00 C ATOM 397 CD ARG A 466 -0.252 -1.570 1.904 1.00 0.00 C ATOM 398 NE ARG A 466 0.166 -2.171 0.636 1.00 0.00 N ATOM 399 CZ ARG A 466 0.291 -3.475 0.390 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.048 -4.383 1.305 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.756 -3.846 -0.792 1.00 0.00 N ATOM 0 H ARG A 466 -0.888 2.804 1.560 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.649 2.230 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.293 -0.058 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.742 0.360 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.494 0.400 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.026 0.175 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.307 -2.024 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.306 -1.789 2.078 1.00 0.00 H new ATOM 0 HE ARG A 466 0.381 -1.533 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.410 -4.084 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.054 -5.377 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 466 1.008 -3.141 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.863 -4.837 -1.010 1.00 0.00 H new ATOM 415 N GLN A 467 1.924 2.031 4.288 1.00 0.00 N ATOM 416 CA GLN A 467 3.361 2.282 4.293 1.00 0.00 C ATOM 417 C GLN A 467 4.117 1.221 5.096 1.00 0.00 C ATOM 418 O GLN A 467 3.580 0.677 6.063 1.00 0.00 O ATOM 419 CB GLN A 467 3.663 3.687 4.847 1.00 0.00 C ATOM 420 CG GLN A 467 3.027 3.936 6.226 1.00 0.00 C ATOM 421 CD GLN A 467 3.288 5.342 6.738 1.00 0.00 C ATOM 422 OE1 GLN A 467 4.104 5.547 7.635 1.00 0.00 O ATOM 423 NE2 GLN A 467 2.599 6.339 6.217 1.00 0.00 N ATOM 0 H GLN A 467 1.591 1.597 5.149 1.00 0.00 H new ATOM 0 HA GLN A 467 3.707 2.227 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.742 3.819 4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.298 4.436 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 467 1.952 3.769 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.420 3.213 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 467 1.924 6.159 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 467 2.741 7.290 6.558 1.00 0.00 H new ATOM 432 N ARG A 468 5.346 0.905 4.695 1.00 0.00 N ATOM 433 CA ARG A 468 6.223 -0.076 5.345 1.00 0.00 C ATOM 434 C ARG A 468 7.602 0.543 5.519 1.00 0.00 C ATOM 435 O ARG A 468 7.928 1.531 4.852 1.00 0.00 O ATOM 436 CB ARG A 468 6.260 -1.419 4.583 1.00 0.00 C ATOM 437 CG ARG A 468 6.750 -1.230 3.148 1.00 0.00 C ATOM 438 CD ARG A 468 6.832 -2.467 2.254 1.00 0.00 C ATOM 439 NE ARG A 468 7.299 -2.051 0.914 1.00 0.00 N ATOM 440 CZ ARG A 468 7.300 -2.758 -0.219 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.051 -4.063 -0.218 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.516 -2.127 -1.367 1.00 0.00 N ATOM 0 H ARG A 468 5.778 1.339 3.879 1.00 0.00 H new ATOM 0 HA ARG A 468 5.825 -0.322 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.915 -2.117 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.264 -1.862 4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.093 -0.509 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.742 -0.780 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.517 -3.199 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.856 -2.947 2.182 1.00 0.00 H new ATOM 0 HE ARG A 468 7.668 -1.102 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.854 -4.544 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.057 -4.584 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.677 -1.120 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.521 -2.649 -2.243 1.00 0.00 H new ATOM 456 N MET A 469 8.432 -0.050 6.368 1.00 0.00 N ATOM 457 CA MET A 469 9.773 0.417 6.682 1.00 0.00 C ATOM 458 C MET A 469 10.808 -0.436 5.957 1.00 0.00 C ATOM 459 O MET A 469 10.642 -1.650 5.798 1.00 0.00 O ATOM 460 CB MET A 469 9.947 0.381 8.208 1.00 0.00 C ATOM 461 CG MET A 469 11.052 1.307 8.722 1.00 0.00 C ATOM 462 SD MET A 469 11.310 1.137 10.512 1.00 0.00 S ATOM 463 CE MET A 469 12.070 2.734 10.894 1.00 0.00 C ATOM 0 H MET A 469 8.179 -0.899 6.874 1.00 0.00 H new ATOM 0 HA MET A 469 9.920 1.441 6.340 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.004 0.658 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.169 -0.641 8.516 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.982 1.085 8.200 1.00 0.00 H new ATOM 0 HG3 MET A 469 10.795 2.341 8.490 1.00 0.00 H new ATOM 0 HE1 MET A 469 12.290 2.786 11.960 1.00 0.00 H new ATOM 0 HE2 MET A 469 12.995 2.842 10.327 1.00 0.00 H new ATOM 0 HE3 MET A 469 11.384 3.537 10.625 1.00 0.00 H new ATOM 473 N LEU A 470 11.877 0.216 5.500 1.00 0.00 N ATOM 474 CA LEU A 470 12.981 -0.405 4.786 1.00 0.00 C ATOM 475 C LEU A 470 13.862 -1.102 5.826 1.00 0.00 C ATOM 476 O LEU A 470 14.227 -0.492 6.836 1.00 0.00 O ATOM 477 CB LEU A 470 13.702 0.706 3.993 1.00 0.00 C ATOM 478 CG LEU A 470 14.776 0.294 2.968 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.088 -0.095 3.641 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.293 -0.800 2.013 1.00 0.00 C ATOM 0 H LEU A 470 11.998 1.221 5.623 1.00 0.00 H new ATOM 0 HA LEU A 470 12.671 -1.163 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.943 1.283 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.170 1.378 4.713 1.00 0.00 H new ATOM 0 HG LEU A 470 14.968 1.178 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.817 -0.378 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.469 0.752 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.917 -0.937 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.090 -1.050 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.020 -1.687 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.424 -0.443 1.460 1.00 0.00 H new ATOM 492 N LYS A 471 14.143 -2.394 5.643 1.00 0.00 N ATOM 493 CA LYS A 471 14.980 -3.198 6.542 1.00 0.00 C ATOM 494 C LYS A 471 16.429 -3.299 6.042 1.00 0.00 C ATOM 495 O LYS A 471 17.336 -3.382 6.871 1.00 0.00 O ATOM 496 CB LYS A 471 14.372 -4.595 6.699 1.00 0.00 C ATOM 497 CG LYS A 471 13.169 -4.630 7.642 1.00 0.00 C ATOM 498 CD LYS A 471 12.486 -6.003 7.638 1.00 0.00 C ATOM 499 CE LYS A 471 13.372 -7.180 8.075 1.00 0.00 C ATOM 500 NZ LYS A 471 14.041 -7.843 6.937 1.00 0.00 N ATOM 0 H LYS A 471 13.787 -2.924 4.848 1.00 0.00 H new ATOM 0 HA LYS A 471 15.008 -2.699 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.067 -4.963 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.137 -5.276 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.493 -4.387 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.451 -3.865 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.618 -5.960 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.115 -6.203 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 471 14.126 -6.821 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 471 12.763 -7.910 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.738 -8.837 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.785 -7.358 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 15.072 -7.801 7.068 1.00 0.00 H new ATOM 514 N ALA A 472 16.653 -3.373 4.729 1.00 0.00 N ATOM 515 CA ALA A 472 17.961 -3.441 4.080 1.00 0.00 C ATOM 516 C ALA A 472 17.780 -3.055 2.605 1.00 0.00 C ATOM 517 O ALA A 472 16.648 -3.007 2.121 1.00 0.00 O ATOM 518 CB ALA A 472 18.565 -4.847 4.218 1.00 0.00 C ATOM 0 H ALA A 472 15.887 -3.388 4.056 1.00 0.00 H new ATOM 0 HA ALA A 472 18.655 -2.750 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.538 -4.875 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.684 -5.090 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.902 -5.575 3.750 1.00 0.00 H new ATOM 524 N GLN A 473 18.863 -2.770 1.889 1.00 0.00 N ATOM 525 CA GLN A 473 18.857 -2.403 0.475 1.00 0.00 C ATOM 526 C GLN A 473 20.192 -2.854 -0.122 1.00 0.00 C ATOM 527 O GLN A 473 21.219 -2.867 0.562 1.00 0.00 O ATOM 528 CB GLN A 473 18.572 -0.889 0.309 1.00 0.00 C ATOM 529 CG GLN A 473 19.721 -0.017 0.814 1.00 0.00 C ATOM 530 CD GLN A 473 19.268 1.402 1.136 1.00 0.00 C ATOM 531 OE1 GLN A 473 18.797 1.679 2.237 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.410 2.348 0.231 1.00 0.00 N ATOM 0 H GLN A 473 19.801 -2.788 2.290 1.00 0.00 H new ATOM 0 HA GLN A 473 18.056 -2.902 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.390 -0.670 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.661 -0.633 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.154 -0.470 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.508 0.017 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.800 2.124 -0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.130 3.305 0.445 1.00 0.00 H new ATOM 541 N LEU A 474 20.185 -3.258 -1.388 1.00 0.00 N ATOM 542 CA LEU A 474 21.369 -3.715 -2.099 1.00 0.00 C ATOM 543 C LEU A 474 22.326 -2.556 -2.343 1.00 0.00 C ATOM 544 O LEU A 474 23.543 -2.745 -2.278 1.00 0.00 O ATOM 545 CB LEU A 474 20.990 -4.320 -3.464 1.00 0.00 C ATOM 546 CG LEU A 474 20.571 -5.796 -3.424 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.253 -6.020 -2.681 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.437 -6.337 -4.853 1.00 0.00 C ATOM 0 H LEU A 474 19.339 -3.276 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 474 21.848 -4.473 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.173 -3.737 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.840 -4.217 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 474 21.351 -6.329 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.009 -7.082 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.352 -5.675 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.457 -5.462 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.139 -7.385 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.682 -5.763 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.394 -6.248 -5.367 1.00 0.00 H new ATOM 560 N ASP A 475 21.774 -1.378 -2.624 1.00 0.00 N ATOM 561 CA ASP A 475 22.520 -0.167 -2.920 1.00 0.00 C ATOM 562 C ASP A 475 22.245 0.878 -1.855 1.00 0.00 C ATOM 563 O ASP A 475 21.185 1.505 -1.853 1.00 0.00 O ATOM 564 CB ASP A 475 22.126 0.342 -4.307 1.00 0.00 C ATOM 565 CG ASP A 475 23.003 1.517 -4.754 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.811 2.049 -3.957 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.872 1.892 -5.939 1.00 0.00 O ATOM 0 H ASP A 475 20.764 -1.240 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 475 23.589 -0.378 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.211 -0.470 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.081 0.652 -4.297 1.00 0.00 H new ATOM 572 N LEU A 476 23.167 1.043 -0.908 1.00 0.00 N ATOM 573 CA LEU A 476 23.002 2.021 0.167 1.00 0.00 C ATOM 574 C LEU A 476 22.937 3.448 -0.387 1.00 0.00 C ATOM 575 O LEU A 476 22.385 4.319 0.285 1.00 0.00 O ATOM 576 CB LEU A 476 24.120 1.884 1.219 1.00 0.00 C ATOM 577 CG LEU A 476 23.912 0.792 2.289 1.00 0.00 C ATOM 578 CD1 LEU A 476 22.725 1.110 3.207 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.744 -0.615 1.700 1.00 0.00 C ATOM 0 H LEU A 476 24.037 0.512 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 476 22.053 1.814 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.057 1.682 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.235 2.843 1.725 1.00 0.00 H new ATOM 0 HG LEU A 476 24.830 0.794 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 476 22.613 0.316 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 476 22.902 2.057 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 476 21.814 1.183 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.602 -1.333 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.875 -0.633 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.635 -0.880 1.131 1.00 0.00 H new ATOM 591 N SER A 477 23.472 3.694 -1.587 1.00 0.00 N ATOM 592 CA SER A 477 23.470 4.999 -2.226 1.00 0.00 C ATOM 593 C SER A 477 22.187 5.251 -3.015 1.00 0.00 C ATOM 594 O SER A 477 22.067 6.318 -3.618 1.00 0.00 O ATOM 595 CB SER A 477 24.701 5.127 -3.135 1.00 0.00 C ATOM 596 OG SER A 477 25.159 6.470 -3.160 1.00 0.00 O ATOM 0 H SER A 477 23.926 2.972 -2.147 1.00 0.00 H new ATOM 0 HA SER A 477 23.513 5.758 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.495 4.472 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.451 4.802 -4.145 1.00 0.00 H new ATOM 0 HG SER A 477 25.945 6.537 -3.742 1.00 0.00 H new ATOM 602 N VAL A 478 21.235 4.320 -3.043 1.00 0.00 N ATOM 603 CA VAL A 478 19.985 4.476 -3.765 1.00 0.00 C ATOM 604 C VAL A 478 18.877 4.054 -2.805 1.00 0.00 C ATOM 605 O VAL A 478 18.659 2.858 -2.617 1.00 0.00 O ATOM 606 CB VAL A 478 20.036 3.681 -5.080 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.669 3.608 -5.769 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.018 4.347 -6.052 1.00 0.00 C ATOM 0 H VAL A 478 21.316 3.427 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 478 19.794 5.504 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 478 20.355 2.670 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.757 3.037 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.954 3.120 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.322 4.616 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.050 3.780 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.690 5.366 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.012 4.370 -5.606 1.00 0.00 H new ATOM 618 N PRO A 479 18.207 5.006 -2.135 1.00 0.00 N ATOM 619 CA PRO A 479 17.139 4.664 -1.218 1.00 0.00 C ATOM 620 C PRO A 479 15.950 4.082 -1.969 1.00 0.00 C ATOM 621 O PRO A 479 15.825 4.178 -3.195 1.00 0.00 O ATOM 622 CB PRO A 479 16.743 5.961 -0.521 1.00 0.00 C ATOM 623 CG PRO A 479 17.150 7.042 -1.521 1.00 0.00 C ATOM 624 CD PRO A 479 18.358 6.449 -2.242 1.00 0.00 C ATOM 0 HA PRO A 479 17.464 3.910 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.674 5.992 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.261 6.079 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.341 7.266 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.405 7.975 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.386 6.764 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.290 6.781 -1.784 1.00 0.00 H new ATOM 632 N CYS A 480 15.014 3.569 -1.179 1.00 0.00 N ATOM 633 CA CYS A 480 13.819 2.936 -1.681 1.00 0.00 C ATOM 634 C CYS A 480 12.538 3.714 -1.398 1.00 0.00 C ATOM 635 O CYS A 480 11.955 3.528 -0.328 1.00 0.00 O ATOM 636 CB CYS A 480 13.771 1.532 -1.073 1.00 0.00 C ATOM 637 SG CYS A 480 15.296 0.585 -1.295 1.00 0.00 S ATOM 0 H CYS A 480 15.072 3.586 -0.161 1.00 0.00 H new ATOM 0 HA CYS A 480 13.869 2.899 -2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.558 1.615 -0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.944 0.981 -1.521 1.00 0.00 H new ATOM 642 N PRO A 481 12.050 4.557 -2.324 1.00 0.00 N ATOM 643 CA PRO A 481 10.805 5.304 -2.145 1.00 0.00 C ATOM 644 C PRO A 481 9.569 4.374 -2.166 1.00 0.00 C ATOM 645 O PRO A 481 8.446 4.840 -1.980 1.00 0.00 O ATOM 646 CB PRO A 481 10.782 6.336 -3.276 1.00 0.00 C ATOM 647 CG PRO A 481 11.577 5.635 -4.372 1.00 0.00 C ATOM 648 CD PRO A 481 12.650 4.879 -3.610 1.00 0.00 C ATOM 0 HA PRO A 481 10.764 5.792 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 481 9.766 6.567 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.244 7.277 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.949 4.961 -4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.011 6.350 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.949 3.976 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.546 5.487 -3.485 1.00 0.00 H new ATOM 656 N ASP A 482 9.734 3.057 -2.374 1.00 0.00 N ATOM 657 CA ASP A 482 8.697 2.005 -2.397 1.00 0.00 C ATOM 658 C ASP A 482 8.166 1.728 -0.969 1.00 0.00 C ATOM 659 O ASP A 482 7.795 0.608 -0.597 1.00 0.00 O ATOM 660 CB ASP A 482 9.297 0.726 -3.019 1.00 0.00 C ATOM 661 CG ASP A 482 9.106 0.623 -4.524 1.00 0.00 C ATOM 662 OD1 ASP A 482 7.951 0.693 -5.003 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.109 0.467 -5.251 1.00 0.00 O ATOM 0 H ASP A 482 10.662 2.669 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 482 7.853 2.338 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 482 10.363 0.691 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.843 -0.144 -2.545 1.00 0.00 H new ATOM 668 N THR A 483 8.218 2.737 -0.108 1.00 0.00 N ATOM 669 CA THR A 483 7.793 2.741 1.273 1.00 0.00 C ATOM 670 C THR A 483 6.291 2.948 1.407 1.00 0.00 C ATOM 671 O THR A 483 5.783 2.727 2.502 1.00 0.00 O ATOM 672 CB THR A 483 8.564 3.871 1.996 1.00 0.00 C ATOM 673 OG1 THR A 483 8.637 5.022 1.167 1.00 0.00 O ATOM 674 CG2 THR A 483 9.993 3.446 2.348 1.00 0.00 C ATOM 0 H THR A 483 8.590 3.644 -0.388 1.00 0.00 H new ATOM 0 HA THR A 483 8.011 1.772 1.722 1.00 0.00 H new ATOM 0 HB THR A 483 8.020 4.092 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.478 5.010 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.502 4.266 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.963 2.577 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.532 3.192 1.435 1.00 0.00 H new ATOM 682 N GLN A 484 5.580 3.334 0.343 1.00 0.00 N ATOM 683 CA GLN A 484 4.144 3.572 0.357 1.00 0.00 C ATOM 684 C GLN A 484 3.487 2.924 -0.860 1.00 0.00 C ATOM 685 O GLN A 484 4.114 2.788 -1.908 1.00 0.00 O ATOM 686 CB GLN A 484 3.862 5.084 0.462 1.00 0.00 C ATOM 687 CG GLN A 484 4.592 5.967 -0.571 1.00 0.00 C ATOM 688 CD GLN A 484 4.224 7.455 -0.498 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.473 8.226 -1.422 1.00 0.00 O ATOM 690 NE2 GLN A 484 3.646 7.943 0.588 1.00 0.00 N ATOM 0 H GLN A 484 6.003 3.492 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 484 3.700 3.104 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.789 5.244 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.139 5.419 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.667 5.863 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.368 5.597 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 484 3.428 7.326 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.419 8.936 0.642 1.00 0.00 H new ATOM 699 N ASP A 485 2.217 2.543 -0.713 1.00 0.00 N ATOM 700 CA ASP A 485 1.403 1.900 -1.744 1.00 0.00 C ATOM 701 C ASP A 485 -0.056 2.362 -1.611 1.00 0.00 C ATOM 702 O ASP A 485 -0.447 2.846 -0.539 1.00 0.00 O ATOM 703 CB ASP A 485 1.547 0.383 -1.581 1.00 0.00 C ATOM 704 CG ASP A 485 0.763 -0.433 -2.600 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.646 -0.016 -3.774 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.249 -1.504 -2.213 1.00 0.00 O ATOM 0 H ASP A 485 1.709 2.679 0.161 1.00 0.00 H new ATOM 0 HA ASP A 485 1.736 2.178 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.602 0.120 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.219 0.104 -0.580 1.00 0.00 H new ATOM 711 N PHE A 486 -0.863 2.237 -2.677 1.00 0.00 N ATOM 712 CA PHE A 486 -2.270 2.649 -2.727 1.00 0.00 C ATOM 713 C PHE A 486 -3.117 1.674 -3.537 1.00 0.00 C ATOM 714 O PHE A 486 -2.761 1.331 -4.667 1.00 0.00 O ATOM 715 CB PHE A 486 -2.411 4.042 -3.359 1.00 0.00 C ATOM 716 CG PHE A 486 -1.770 5.149 -2.555 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.386 5.386 -2.658 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.557 5.922 -1.682 1.00 0.00 C ATOM 719 CE1 PHE A 486 0.230 6.347 -1.842 1.00 0.00 C ATOM 720 CE2 PHE A 486 -1.940 6.906 -0.892 1.00 0.00 C ATOM 721 CZ PHE A 486 -0.550 7.106 -0.956 1.00 0.00 C ATOM 0 H PHE A 486 -0.540 1.832 -3.556 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.624 2.664 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.966 4.025 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.470 4.266 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.204 4.826 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.623 5.761 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 486 1.298 6.502 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -2.539 7.514 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.082 7.845 -0.322 1.00 0.00 H new ATOM 731 N GLN A 487 -4.240 1.225 -2.974 1.00 0.00 N ATOM 732 CA GLN A 487 -5.190 0.307 -3.602 1.00 0.00 C ATOM 733 C GLN A 487 -6.614 0.842 -3.404 1.00 0.00 C ATOM 734 O GLN A 487 -6.830 1.716 -2.557 1.00 0.00 O ATOM 735 CB GLN A 487 -5.057 -1.123 -3.039 1.00 0.00 C ATOM 736 CG GLN A 487 -4.353 -2.092 -4.001 1.00 0.00 C ATOM 737 CD GLN A 487 -2.866 -2.261 -3.712 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.460 -3.293 -3.193 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.011 -1.320 -4.051 1.00 0.00 N ATOM 0 H GLN A 487 -4.523 1.501 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.968 0.250 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.503 -1.087 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.050 -1.509 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.839 -3.066 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.478 -1.733 -5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.345 -0.459 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.014 -1.452 -3.881 1.00 0.00 H new ATOM 748 N PRO A 488 -7.608 0.314 -4.134 1.00 0.00 N ATOM 749 CA PRO A 488 -8.980 0.769 -4.031 1.00 0.00 C ATOM 750 C PRO A 488 -9.726 0.155 -2.839 1.00 0.00 C ATOM 751 O PRO A 488 -9.383 -0.907 -2.298 1.00 0.00 O ATOM 752 CB PRO A 488 -9.612 0.343 -5.361 1.00 0.00 C ATOM 753 CG PRO A 488 -8.915 -0.977 -5.662 1.00 0.00 C ATOM 754 CD PRO A 488 -7.496 -0.714 -5.161 1.00 0.00 C ATOM 0 HA PRO A 488 -9.032 1.844 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.691 0.219 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.438 1.080 -6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.383 -1.812 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.934 -1.214 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -7.053 -1.623 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.852 -0.382 -5.975 1.00 0.00 H new ATOM 762 N CYS A 489 -10.801 0.830 -2.450 1.00 0.00 N ATOM 763 CA CYS A 489 -11.699 0.446 -1.374 1.00 0.00 C ATOM 764 C CYS A 489 -13.130 0.917 -1.631 1.00 0.00 C ATOM 765 O CYS A 489 -13.432 1.644 -2.579 1.00 0.00 O ATOM 766 CB CYS A 489 -11.183 1.061 -0.072 1.00 0.00 C ATOM 767 SG CYS A 489 -11.854 0.434 1.494 1.00 0.00 S ATOM 0 H CYS A 489 -11.081 1.702 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.720 -0.642 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -10.101 0.931 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.374 2.133 -0.111 1.00 0.00 H new ATOM 772 N MET A 490 -14.003 0.437 -0.754 1.00 0.00 N ATOM 773 CA MET A 490 -15.424 0.664 -0.597 1.00 0.00 C ATOM 774 C MET A 490 -15.556 0.723 0.932 1.00 0.00 C ATOM 775 O MET A 490 -14.865 -0.019 1.637 1.00 0.00 O ATOM 776 CB MET A 490 -16.270 -0.470 -1.177 1.00 0.00 C ATOM 777 CG MET A 490 -16.407 -0.363 -2.698 1.00 0.00 C ATOM 778 SD MET A 490 -17.371 -1.686 -3.489 1.00 0.00 S ATOM 779 CE MET A 490 -18.738 -1.959 -2.325 1.00 0.00 C ATOM 0 H MET A 490 -13.676 -0.212 -0.038 1.00 0.00 H new ATOM 0 HA MET A 490 -15.778 1.552 -1.121 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.817 -1.428 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.260 -0.453 -0.722 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.870 0.594 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.409 -0.352 -3.136 1.00 0.00 H new ATOM 0 HE1 MET A 490 -19.464 -2.640 -2.769 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.350 -2.393 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 490 -19.222 -1.008 -2.103 1.00 0.00 H new ATOM 789 N GLY A 491 -16.440 1.572 1.440 1.00 0.00 N ATOM 790 CA GLY A 491 -16.684 1.811 2.861 1.00 0.00 C ATOM 791 C GLY A 491 -16.785 0.609 3.811 1.00 0.00 C ATOM 792 O GLY A 491 -16.905 -0.548 3.389 1.00 0.00 O ATOM 0 H GLY A 491 -17.038 2.143 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.885 2.455 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.612 2.376 2.945 1.00 0.00 H new ATOM 796 N PRO A 492 -16.741 0.896 5.124 1.00 0.00 N ATOM 797 CA PRO A 492 -16.830 -0.110 6.169 1.00 0.00 C ATOM 798 C PRO A 492 -18.215 -0.750 6.131 1.00 0.00 C ATOM 799 O PRO A 492 -19.234 -0.049 6.172 1.00 0.00 O ATOM 800 CB PRO A 492 -16.571 0.630 7.486 1.00 0.00 C ATOM 801 CG PRO A 492 -16.959 2.076 7.188 1.00 0.00 C ATOM 802 CD PRO A 492 -16.607 2.224 5.712 1.00 0.00 C ATOM 0 HA PRO A 492 -16.107 -0.917 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -17.169 0.217 8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -15.526 0.552 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -18.018 2.256 7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -16.404 2.780 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -17.273 2.935 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -15.592 2.602 5.590 1.00 0.00 H new ATOM 810 N GLY A 493 -18.253 -2.079 6.078 1.00 0.00 N ATOM 811 CA GLY A 493 -19.489 -2.840 6.040 1.00 0.00 C ATOM 812 C GLY A 493 -20.036 -3.009 4.628 1.00 0.00 C ATOM 813 O GLY A 493 -21.183 -3.422 4.499 1.00 0.00 O ATOM 0 H GLY A 493 -17.415 -2.660 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -19.318 -3.823 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -20.236 -2.341 6.657 1.00 0.00 H new ATOM 817 N CYS A 494 -19.271 -2.657 3.592 1.00 0.00 N ATOM 818 CA CYS A 494 -19.666 -2.780 2.195 1.00 0.00 C ATOM 819 C CYS A 494 -18.889 -3.935 1.563 1.00 0.00 C ATOM 820 O CYS A 494 -17.819 -4.291 2.066 1.00 0.00 O ATOM 821 CB CYS A 494 -19.349 -1.471 1.473 1.00 0.00 C ATOM 822 SG CYS A 494 -20.009 0.003 2.287 1.00 0.00 S ATOM 0 H CYS A 494 -18.335 -2.269 3.709 1.00 0.00 H new ATOM 0 HA CYS A 494 -20.734 -2.981 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.267 -1.370 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -19.748 -1.522 0.460 1.00 0.00 H new ATOM 827 N SER A 495 -19.347 -4.416 0.400 1.00 0.00 N ATOM 828 CA SER A 495 -18.758 -5.530 -0.353 1.00 0.00 C ATOM 829 C SER A 495 -19.127 -6.851 0.354 1.00 0.00 C ATOM 830 O SER A 495 -18.323 -7.783 0.434 1.00 0.00 O ATOM 831 CB SER A 495 -17.245 -5.294 -0.580 1.00 0.00 C ATOM 832 OG SER A 495 -16.710 -5.977 -1.697 1.00 0.00 O ATOM 0 H SER A 495 -20.169 -4.025 -0.059 1.00 0.00 H new ATOM 0 HA SER A 495 -19.170 -5.597 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 495 -17.071 -4.225 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 495 -16.703 -5.603 0.314 1.00 0.00 H new ATOM 0 HG SER A 495 -15.754 -5.778 -1.775 1.00 0.00 H new ATOM 838 N ASP A 496 -20.368 -6.929 0.843 1.00 0.00 N ATOM 839 CA ASP A 496 -21.004 -8.032 1.572 1.00 0.00 C ATOM 840 C ASP A 496 -21.321 -9.260 0.697 1.00 0.00 C ATOM 841 O ASP A 496 -22.127 -10.112 1.092 1.00 0.00 O ATOM 842 CB ASP A 496 -22.290 -7.512 2.242 1.00 0.00 C ATOM 843 CG ASP A 496 -22.051 -6.459 3.320 1.00 0.00 C ATOM 844 OD1 ASP A 496 -21.148 -6.644 4.169 1.00 0.00 O ATOM 845 OD2 ASP A 496 -22.791 -5.448 3.298 1.00 0.00 O ATOM 0 H ASP A 496 -21.014 -6.148 0.728 1.00 0.00 H new ATOM 0 HA ASP A 496 -20.287 -8.378 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -22.941 -7.090 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -22.822 -8.354 2.684 1.00 0.00 H new ATOM 850 N GLU A 497 -20.715 -9.365 -0.490 1.00 0.00 N ATOM 851 CA GLU A 497 -20.859 -10.437 -1.470 1.00 0.00 C ATOM 852 C GLU A 497 -22.278 -10.489 -2.030 1.00 0.00 C ATOM 853 O GLU A 497 -22.896 -11.552 -2.080 1.00 0.00 O ATOM 854 CB GLU A 497 -20.385 -11.771 -0.872 1.00 0.00 C ATOM 855 CG GLU A 497 -18.892 -11.810 -0.552 1.00 0.00 C ATOM 856 CD GLU A 497 -18.096 -11.966 -1.838 1.00 0.00 C ATOM 857 OE1 GLU A 497 -17.953 -13.127 -2.294 1.00 0.00 O ATOM 858 OE2 GLU A 497 -17.643 -10.933 -2.390 1.00 0.00 O ATOM 0 H GLU A 497 -20.064 -8.648 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 497 -20.215 -10.230 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -20.947 -11.969 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -20.618 -12.574 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -18.596 -10.895 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -18.676 -12.638 0.123 1.00 0.00 H new ATOM 865 N ASP A 498 -22.802 -9.329 -2.442 1.00 0.00 N ATOM 866 CA ASP A 498 -24.139 -9.119 -3.016 1.00 0.00 C ATOM 867 C ASP A 498 -25.285 -9.489 -2.057 1.00 0.00 C ATOM 868 O ASP A 498 -26.459 -9.291 -2.397 1.00 0.00 O ATOM 869 CB ASP A 498 -24.304 -9.827 -4.381 1.00 0.00 C ATOM 870 CG ASP A 498 -23.414 -9.261 -5.488 1.00 0.00 C ATOM 871 OD1 ASP A 498 -23.488 -8.038 -5.750 1.00 0.00 O ATOM 872 OD2 ASP A 498 -22.670 -10.045 -6.125 1.00 0.00 O ATOM 0 H ASP A 498 -22.274 -8.459 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 498 -24.214 -8.044 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -24.083 -10.887 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -25.346 -9.753 -4.693 1.00 0.00 H new ATOM 877 N GLY A 499 -24.988 -9.992 -0.858 1.00 0.00 N ATOM 878 CA GLY A 499 -25.933 -10.397 0.167 1.00 0.00 C ATOM 879 C GLY A 499 -25.908 -9.379 1.280 1.00 0.00 C ATOM 880 O GLY A 499 -25.665 -9.787 2.432 1.00 0.00 O ATOM 0 H GLY A 499 -24.021 -10.133 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -26.936 -10.473 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -25.673 -11.383 0.552 1.00 0.00 H new TER 884 GLY A 499