USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=17 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 490 MET CE :methyl -176:sc= -0.0432 (180deg=-0.109) USER MOD Set 1.2: A 495 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 465 MET CE :methyl 169:sc= 0 (180deg=-0.123) USER MOD Set 2.2: A 467 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Set 3.1: A 456 SER OG : rot -165:sc= 1 USER MOD Set 3.2: A 458 THR OG1 : rot 173:sc= 1.22 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 445 TYR OH : rot -95:sc= 0.239 USER MOD Single : A 446 SER OG : rot 180:sc= 0.268 USER MOD Single : A 447 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 449 SER OG : rot 87:sc= 1.2 USER MOD Single : A 452 SER OG : rot 150:sc= 0.0665 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -128:sc= 0.597 (180deg=-0.0271) USER MOD Single : A 463 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.12) 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= 0.457 X(o=0.46,f=0) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.0956 K(o=0.096,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 10.839 -1.547 -9.758 1.00 0.00 N ATOM 2 CA GLY A 439 10.447 -2.793 -9.098 1.00 0.00 C ATOM 3 C GLY A 439 11.196 -2.939 -7.789 1.00 0.00 C ATOM 4 O GLY A 439 12.376 -2.595 -7.702 1.00 0.00 O ATOM 0 HA2 GLY A 439 9.373 -2.796 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 439 10.662 -3.642 -9.747 1.00 0.00 H new ATOM 8 N SER A 440 10.524 -3.484 -6.776 1.00 0.00 N ATOM 9 CA SER A 440 11.010 -3.739 -5.419 1.00 0.00 C ATOM 10 C SER A 440 12.166 -4.745 -5.327 1.00 0.00 C ATOM 11 O SER A 440 12.575 -5.109 -4.229 1.00 0.00 O ATOM 12 CB SER A 440 9.814 -4.228 -4.592 1.00 0.00 C ATOM 13 OG SER A 440 8.817 -3.224 -4.532 1.00 0.00 O ATOM 0 H SER A 440 9.555 -3.781 -6.890 1.00 0.00 H new ATOM 0 HA SER A 440 11.428 -2.807 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 440 9.402 -5.134 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.141 -4.487 -3.585 1.00 0.00 H new ATOM 0 HG SER A 440 8.058 -3.548 -4.003 1.00 0.00 H new ATOM 19 N GLU A 441 12.695 -5.211 -6.452 1.00 0.00 N ATOM 20 CA GLU A 441 13.782 -6.174 -6.526 1.00 0.00 C ATOM 21 C GLU A 441 15.078 -5.700 -5.864 1.00 0.00 C ATOM 22 O GLU A 441 15.804 -6.522 -5.306 1.00 0.00 O ATOM 23 CB GLU A 441 13.986 -6.576 -7.992 1.00 0.00 C ATOM 24 CG GLU A 441 14.538 -5.457 -8.891 1.00 0.00 C ATOM 25 CD GLU A 441 14.327 -5.771 -10.373 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.522 -6.939 -10.784 1.00 0.00 O ATOM 27 OE2 GLU A 441 13.881 -4.873 -11.123 1.00 0.00 O ATOM 0 H GLU A 441 12.365 -4.916 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 441 13.496 -7.050 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 441 14.668 -7.425 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.033 -6.914 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 441 14.047 -4.516 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 441 15.602 -5.323 -8.695 1.00 0.00 H new ATOM 34 N THR A 442 15.351 -4.397 -5.899 1.00 0.00 N ATOM 35 CA THR A 442 16.538 -3.771 -5.326 1.00 0.00 C ATOM 36 C THR A 442 16.322 -3.342 -3.872 1.00 0.00 C ATOM 37 O THR A 442 17.236 -2.793 -3.253 1.00 0.00 O ATOM 38 CB THR A 442 16.903 -2.540 -6.178 1.00 0.00 C ATOM 39 OG1 THR A 442 15.733 -1.787 -6.457 1.00 0.00 O ATOM 40 CG2 THR A 442 17.577 -2.954 -7.487 1.00 0.00 C ATOM 0 H THR A 442 14.727 -3.724 -6.344 1.00 0.00 H new ATOM 0 HA THR A 442 17.346 -4.503 -5.330 1.00 0.00 H new ATOM 0 HB THR A 442 17.606 -1.929 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 442 15.969 -1.004 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 442 17.823 -2.064 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 442 18.490 -3.508 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 442 16.899 -3.586 -8.061 1.00 0.00 H new ATOM 48 N CYS A 443 15.152 -3.615 -3.292 1.00 0.00 N ATOM 49 CA CYS A 443 14.836 -3.195 -1.937 1.00 0.00 C ATOM 50 C CYS A 443 14.317 -4.327 -1.071 1.00 0.00 C ATOM 51 O CYS A 443 13.647 -5.246 -1.546 1.00 0.00 O ATOM 52 CB CYS A 443 13.794 -2.093 -2.074 1.00 0.00 C ATOM 53 SG CYS A 443 14.412 -0.644 -2.962 1.00 0.00 S ATOM 0 H CYS A 443 14.403 -4.132 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 443 15.738 -2.847 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 443 12.922 -2.488 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.461 -1.790 -1.081 1.00 0.00 H new ATOM 58 N ILE A 444 14.565 -4.231 0.234 1.00 0.00 N ATOM 59 CA ILE A 444 14.158 -5.217 1.219 1.00 0.00 C ATOM 60 C ILE A 444 13.456 -4.448 2.325 1.00 0.00 C ATOM 61 O ILE A 444 14.077 -3.910 3.236 1.00 0.00 O ATOM 62 CB ILE A 444 15.361 -6.079 1.640 1.00 0.00 C ATOM 63 CG1 ILE A 444 15.862 -6.814 0.371 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.944 -7.021 2.781 1.00 0.00 C ATOM 65 CD1 ILE A 444 16.556 -8.138 0.629 1.00 0.00 C ATOM 0 H ILE A 444 15.068 -3.442 0.641 1.00 0.00 H new ATOM 0 HA ILE A 444 13.451 -5.954 0.838 1.00 0.00 H new ATOM 0 HB ILE A 444 16.185 -5.484 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 444 15.012 -6.989 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.550 -6.158 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.797 -7.631 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.604 -6.432 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.135 -7.668 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.870 -8.575 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 444 17.430 -7.974 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 444 15.868 -8.818 1.132 1.00 0.00 H new ATOM 77 N TYR A 445 12.138 -4.350 2.216 1.00 0.00 N ATOM 78 CA TYR A 445 11.300 -3.641 3.180 1.00 0.00 C ATOM 79 C TYR A 445 10.698 -4.621 4.192 1.00 0.00 C ATOM 80 O TYR A 445 10.715 -5.837 3.966 1.00 0.00 O ATOM 81 CB TYR A 445 10.140 -2.938 2.466 1.00 0.00 C ATOM 82 CG TYR A 445 10.409 -2.247 1.142 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.410 -3.010 -0.042 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.549 -0.845 1.071 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.612 -2.383 -1.280 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.724 -0.212 -0.177 1.00 0.00 C ATOM 87 CZ TYR A 445 10.785 -0.986 -1.361 1.00 0.00 C ATOM 88 OH TYR A 445 11.055 -0.435 -2.580 1.00 0.00 O ATOM 0 H TYR A 445 11.612 -4.765 1.447 1.00 0.00 H new ATOM 0 HA TYR A 445 11.930 -2.912 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.358 -3.678 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.734 -2.193 3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.255 -4.078 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.522 -0.255 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.635 -2.977 -2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.811 0.863 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 445 12.024 -0.335 -2.687 1.00 0.00 H new ATOM 98 N SER A 446 10.170 -4.101 5.302 1.00 0.00 N ATOM 99 CA SER A 446 9.517 -4.870 6.356 1.00 0.00 C ATOM 100 C SER A 446 8.138 -5.341 5.868 1.00 0.00 C ATOM 101 O SER A 446 7.732 -5.058 4.733 1.00 0.00 O ATOM 102 CB SER A 446 9.392 -3.992 7.618 1.00 0.00 C ATOM 103 OG SER A 446 8.714 -2.769 7.376 1.00 0.00 O ATOM 0 H SER A 446 10.187 -3.100 5.495 1.00 0.00 H new ATOM 0 HA SER A 446 10.109 -5.751 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.862 -4.549 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 446 10.388 -3.779 8.006 1.00 0.00 H new ATOM 0 HG SER A 446 8.662 -2.254 8.208 1.00 0.00 H new ATOM 109 N ASN A 447 7.416 -6.116 6.684 1.00 0.00 N ATOM 110 CA ASN A 447 6.080 -6.543 6.278 1.00 0.00 C ATOM 111 C ASN A 447 5.204 -5.288 6.279 1.00 0.00 C ATOM 112 O ASN A 447 5.391 -4.415 7.127 1.00 0.00 O ATOM 113 CB ASN A 447 5.494 -7.585 7.230 1.00 0.00 C ATOM 114 CG ASN A 447 4.149 -8.057 6.689 1.00 0.00 C ATOM 115 OD1 ASN A 447 4.108 -8.826 5.733 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.046 -7.563 7.222 1.00 0.00 N ATOM 0 H ASN A 447 7.723 -6.449 7.598 1.00 0.00 H new ATOM 0 HA ASN A 447 6.125 -7.012 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 447 6.176 -8.429 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.370 -7.157 8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.136 -7.819 6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.104 -6.926 8.016 1.00 0.00 H new ATOM 123 N TRP A 448 4.272 -5.175 5.341 1.00 0.00 N ATOM 124 CA TRP A 448 3.400 -4.015 5.264 1.00 0.00 C ATOM 125 C TRP A 448 2.515 -3.854 6.496 1.00 0.00 C ATOM 126 O TRP A 448 2.099 -4.838 7.104 1.00 0.00 O ATOM 127 CB TRP A 448 2.475 -4.178 4.059 1.00 0.00 C ATOM 128 CG TRP A 448 3.071 -3.845 2.736 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.335 -4.718 1.740 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.428 -2.526 2.229 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.825 -4.025 0.653 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.917 -2.676 0.903 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.370 -1.217 2.752 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.381 -1.588 0.153 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.814 -0.116 1.998 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.358 -0.306 0.720 1.00 0.00 C ATOM 0 H TRP A 448 4.102 -5.877 4.621 1.00 0.00 H new ATOM 0 HA TRP A 448 4.042 -3.138 5.185 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.126 -5.210 4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.598 -3.549 4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.186 -5.787 1.787 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.088 -4.461 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.979 -1.058 3.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.752 -1.735 -0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.735 0.881 2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.759 0.534 0.173 1.00 0.00 H new ATOM 147 N SER A 449 2.253 -2.603 6.875 1.00 0.00 N ATOM 148 CA SER A 449 1.357 -2.318 7.982 1.00 0.00 C ATOM 149 C SER A 449 -0.062 -2.461 7.379 1.00 0.00 C ATOM 150 O SER A 449 -0.208 -2.363 6.153 1.00 0.00 O ATOM 151 CB SER A 449 1.622 -0.898 8.496 1.00 0.00 C ATOM 152 OG SER A 449 3.006 -0.679 8.750 1.00 0.00 O ATOM 0 H SER A 449 2.650 -1.776 6.429 1.00 0.00 H new ATOM 0 HA SER A 449 1.489 -2.984 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.268 -0.174 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.053 -0.730 9.411 1.00 0.00 H new ATOM 0 HG SER A 449 3.447 -0.385 7.926 1.00 0.00 H new ATOM 158 N PRO A 450 -1.123 -2.673 8.173 1.00 0.00 N ATOM 159 CA PRO A 450 -2.468 -2.813 7.627 1.00 0.00 C ATOM 160 C PRO A 450 -2.961 -1.512 6.989 1.00 0.00 C ATOM 161 O PRO A 450 -2.394 -0.431 7.180 1.00 0.00 O ATOM 162 CB PRO A 450 -3.343 -3.273 8.794 1.00 0.00 C ATOM 163 CG PRO A 450 -2.607 -2.741 10.020 1.00 0.00 C ATOM 164 CD PRO A 450 -1.134 -2.821 9.616 1.00 0.00 C ATOM 0 HA PRO A 450 -2.500 -3.540 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.352 -2.867 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.437 -4.359 8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.904 -1.719 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.814 -3.343 10.905 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.551 -2.035 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.695 -3.772 9.917 1.00 0.00 H new ATOM 172 N TRP A 451 -4.011 -1.644 6.187 1.00 0.00 N ATOM 173 CA TRP A 451 -4.641 -0.543 5.489 1.00 0.00 C ATOM 174 C TRP A 451 -5.356 0.352 6.493 1.00 0.00 C ATOM 175 O TRP A 451 -6.097 -0.160 7.333 1.00 0.00 O ATOM 176 CB TRP A 451 -5.647 -1.124 4.496 1.00 0.00 C ATOM 177 CG TRP A 451 -5.038 -1.858 3.340 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.175 -3.173 3.060 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.194 -1.317 2.288 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.434 -3.484 1.935 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.801 -2.375 1.421 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.736 -0.026 1.977 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -2.961 -2.161 0.318 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.917 0.211 0.862 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.512 -0.855 0.041 1.00 0.00 C ATOM 0 H TRP A 451 -4.455 -2.544 6.003 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.896 0.052 4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.312 -1.803 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.264 -0.313 4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.771 -3.873 3.627 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.365 -4.420 1.535 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.020 0.802 2.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.662 -2.987 -0.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.597 1.217 0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -1.859 -0.674 -0.800 1.00 0.00 H new ATOM 196 N SER A 452 -5.166 1.667 6.408 1.00 0.00 N ATOM 197 CA SER A 452 -5.790 2.635 7.279 1.00 0.00 C ATOM 198 C SER A 452 -7.269 2.794 6.899 1.00 0.00 C ATOM 199 O SER A 452 -7.816 2.051 6.068 1.00 0.00 O ATOM 200 CB SER A 452 -4.982 3.944 7.179 1.00 0.00 C ATOM 201 OG SER A 452 -4.647 4.275 5.847 1.00 0.00 O ATOM 0 H SER A 452 -4.555 2.090 5.709 1.00 0.00 H new ATOM 0 HA SER A 452 -5.782 2.314 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.560 4.758 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.069 3.849 7.767 1.00 0.00 H new ATOM 0 HG SER A 452 -4.589 5.249 5.757 1.00 0.00 H new ATOM 207 N ALA A 453 -7.931 3.758 7.540 1.00 0.00 N ATOM 208 CA ALA A 453 -9.323 4.087 7.295 1.00 0.00 C ATOM 209 C ALA A 453 -9.462 4.380 5.802 1.00 0.00 C ATOM 210 O ALA A 453 -8.684 5.164 5.253 1.00 0.00 O ATOM 211 CB ALA A 453 -9.671 5.317 8.121 1.00 0.00 C ATOM 0 H ALA A 453 -7.499 4.340 8.258 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.995 3.275 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.714 5.585 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.517 5.101 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.031 6.148 7.824 1.00 0.00 H new ATOM 217 N CYS A 454 -10.394 3.723 5.123 1.00 0.00 N ATOM 218 CA CYS A 454 -10.575 3.931 3.701 1.00 0.00 C ATOM 219 C CYS A 454 -10.976 5.377 3.420 1.00 0.00 C ATOM 220 O CYS A 454 -11.805 5.959 4.123 1.00 0.00 O ATOM 221 CB CYS A 454 -11.595 2.939 3.163 1.00 0.00 C ATOM 222 SG CYS A 454 -11.754 3.022 1.371 1.00 0.00 S ATOM 0 H CYS A 454 -11.033 3.044 5.537 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.632 3.754 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.304 1.929 3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.565 3.135 3.621 1.00 0.00 H new ATOM 227 N SER A 455 -10.400 5.936 2.357 1.00 0.00 N ATOM 228 CA SER A 455 -10.666 7.307 1.926 1.00 0.00 C ATOM 229 C SER A 455 -12.155 7.485 1.597 1.00 0.00 C ATOM 230 O SER A 455 -12.654 8.606 1.682 1.00 0.00 O ATOM 231 CB SER A 455 -9.766 7.702 0.748 1.00 0.00 C ATOM 232 OG SER A 455 -9.226 8.999 0.912 1.00 0.00 O ATOM 0 H SER A 455 -9.729 5.445 1.765 1.00 0.00 H new ATOM 0 HA SER A 455 -10.425 7.982 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.955 6.980 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.340 7.662 -0.178 1.00 0.00 H new ATOM 0 HG SER A 455 -8.657 9.216 0.144 1.00 0.00 H new ATOM 238 N SER A 456 -12.868 6.431 1.178 1.00 0.00 N ATOM 239 CA SER A 456 -14.303 6.537 0.908 1.00 0.00 C ATOM 240 C SER A 456 -15.003 5.723 1.986 1.00 0.00 C ATOM 241 O SER A 456 -14.713 4.534 2.144 1.00 0.00 O ATOM 242 CB SER A 456 -14.703 6.072 -0.498 1.00 0.00 C ATOM 243 OG SER A 456 -15.979 6.546 -0.831 1.00 0.00 O ATOM 0 H SER A 456 -12.476 5.503 1.020 1.00 0.00 H new ATOM 0 HA SER A 456 -14.601 7.585 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 456 -13.975 6.430 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 456 -14.690 4.983 -0.544 1.00 0.00 H new ATOM 0 HG SER A 456 -16.319 6.053 -1.607 1.00 0.00 H new ATOM 249 N SER A 457 -15.847 6.369 2.789 1.00 0.00 N ATOM 250 CA SER A 457 -16.612 5.690 3.828 1.00 0.00 C ATOM 251 C SER A 457 -17.863 5.062 3.199 1.00 0.00 C ATOM 252 O SER A 457 -18.615 4.365 3.878 1.00 0.00 O ATOM 253 CB SER A 457 -17.015 6.711 4.904 1.00 0.00 C ATOM 254 OG SER A 457 -17.737 7.802 4.350 1.00 0.00 O ATOM 0 H SER A 457 -16.018 7.373 2.737 1.00 0.00 H new ATOM 0 HA SER A 457 -16.011 4.906 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.624 6.219 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 457 -16.121 7.083 5.405 1.00 0.00 H new ATOM 0 HG SER A 457 -17.978 8.430 5.063 1.00 0.00 H new ATOM 260 N THR A 458 -18.085 5.303 1.906 1.00 0.00 N ATOM 261 CA THR A 458 -19.217 4.860 1.129 1.00 0.00 C ATOM 262 C THR A 458 -18.819 3.935 -0.019 1.00 0.00 C ATOM 263 O THR A 458 -17.628 3.686 -0.261 1.00 0.00 O ATOM 264 CB THR A 458 -19.916 6.143 0.639 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.016 6.948 -0.099 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.408 7.027 1.783 1.00 0.00 C ATOM 0 H THR A 458 -17.429 5.850 1.348 1.00 0.00 H new ATOM 0 HA THR A 458 -19.890 4.252 1.734 1.00 0.00 H new ATOM 0 HB THR A 458 -20.758 5.797 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.502 7.697 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.891 7.915 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.123 6.472 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.562 7.326 2.401 1.00 0.00 H new ATOM 274 N CYS A 459 -19.832 3.448 -0.741 1.00 0.00 N ATOM 275 CA CYS A 459 -19.708 2.556 -1.883 1.00 0.00 C ATOM 276 C CYS A 459 -18.966 3.240 -3.039 1.00 0.00 C ATOM 277 O CYS A 459 -18.472 2.581 -3.960 1.00 0.00 O ATOM 278 CB CYS A 459 -21.119 2.083 -2.266 1.00 0.00 C ATOM 279 SG CYS A 459 -21.260 0.684 -3.411 1.00 0.00 S ATOM 0 H CYS A 459 -20.803 3.679 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.105 1.684 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.644 1.819 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.648 2.929 -2.704 1.00 0.00 H new ATOM 284 N GLU A 460 -18.863 4.573 -3.006 1.00 0.00 N ATOM 285 CA GLU A 460 -18.161 5.342 -4.015 1.00 0.00 C ATOM 286 C GLU A 460 -16.700 4.909 -3.949 1.00 0.00 C ATOM 287 O GLU A 460 -16.127 4.723 -2.870 1.00 0.00 O ATOM 288 CB GLU A 460 -18.320 6.849 -3.799 1.00 0.00 C ATOM 289 CG GLU A 460 -19.778 7.282 -3.991 1.00 0.00 C ATOM 290 CD GLU A 460 -20.590 7.170 -2.696 1.00 0.00 C ATOM 291 OE1 GLU A 460 -20.552 8.114 -1.876 1.00 0.00 O ATOM 292 OE2 GLU A 460 -21.263 6.147 -2.439 1.00 0.00 O ATOM 0 H GLU A 460 -19.272 5.145 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.577 5.151 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.988 7.113 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.682 7.389 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -19.806 8.312 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.240 6.665 -4.762 1.00 0.00 H new ATOM 299 N LYS A 461 -16.085 4.745 -5.111 1.00 0.00 N ATOM 300 CA LYS A 461 -14.702 4.302 -5.223 1.00 0.00 C ATOM 301 C LYS A 461 -13.768 5.233 -4.472 1.00 0.00 C ATOM 302 O LYS A 461 -13.827 6.463 -4.608 1.00 0.00 O ATOM 303 CB LYS A 461 -14.334 4.162 -6.706 1.00 0.00 C ATOM 304 CG LYS A 461 -15.061 2.963 -7.337 1.00 0.00 C ATOM 305 CD LYS A 461 -14.292 1.662 -7.125 1.00 0.00 C ATOM 306 CE LYS A 461 -15.086 0.443 -7.597 1.00 0.00 C ATOM 307 NZ LYS A 461 -14.321 -0.801 -7.376 1.00 0.00 N ATOM 0 H LYS A 461 -16.535 4.917 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.590 3.324 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.599 5.075 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.256 4.034 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.057 2.872 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.193 3.138 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.345 1.709 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.052 1.551 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -16.034 0.392 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.323 0.546 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -14.282 -1.346 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -13.355 -0.565 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.787 -1.369 -6.639 1.00 0.00 H new ATOM 321 N GLY A 462 -12.912 4.633 -3.662 1.00 0.00 N ATOM 322 CA GLY A 462 -11.920 5.288 -2.844 1.00 0.00 C ATOM 323 C GLY A 462 -10.688 4.417 -2.814 1.00 0.00 C ATOM 324 O GLY A 462 -10.587 3.404 -3.503 1.00 0.00 O ATOM 0 H GLY A 462 -12.894 3.619 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.681 6.271 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.301 5.443 -1.835 1.00 0.00 H new ATOM 328 N LYS A 463 -9.734 4.808 -1.989 1.00 0.00 N ATOM 329 CA LYS A 463 -8.489 4.090 -1.813 1.00 0.00 C ATOM 330 C LYS A 463 -8.159 4.009 -0.341 1.00 0.00 C ATOM 331 O LYS A 463 -8.812 4.632 0.492 1.00 0.00 O ATOM 332 CB LYS A 463 -7.360 4.791 -2.593 1.00 0.00 C ATOM 333 CG LYS A 463 -7.201 4.348 -4.057 1.00 0.00 C ATOM 334 CD LYS A 463 -5.707 4.170 -4.369 1.00 0.00 C ATOM 335 CE LYS A 463 -5.396 3.771 -5.814 1.00 0.00 C ATOM 336 NZ LYS A 463 -3.936 3.726 -6.068 1.00 0.00 N ATOM 0 H LYS A 463 -9.806 5.647 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.592 3.078 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.540 5.866 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.418 4.616 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.735 3.413 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.639 5.091 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.190 5.103 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.299 3.411 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -5.832 2.794 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -5.862 4.482 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -3.762 3.371 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -3.538 4.682 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -3.483 3.093 -5.378 1.00 0.00 H new ATOM 350 N ARG A 464 -7.177 3.182 -0.027 1.00 0.00 N ATOM 351 CA ARG A 464 -6.647 2.973 1.313 1.00 0.00 C ATOM 352 C ARG A 464 -5.185 3.382 1.272 1.00 0.00 C ATOM 353 O ARG A 464 -4.648 3.534 0.177 1.00 0.00 O ATOM 354 CB ARG A 464 -6.727 1.502 1.715 1.00 0.00 C ATOM 355 CG ARG A 464 -8.049 0.849 1.355 1.00 0.00 C ATOM 356 CD ARG A 464 -8.126 -0.502 2.043 1.00 0.00 C ATOM 357 NE ARG A 464 -9.062 -1.407 1.367 1.00 0.00 N ATOM 358 CZ ARG A 464 -10.307 -1.710 1.751 1.00 0.00 C ATOM 359 NH1 ARG A 464 -10.823 -1.239 2.884 1.00 0.00 N ATOM 360 NH2 ARG A 464 -11.024 -2.487 0.955 1.00 0.00 N ATOM 0 H ARG A 464 -6.705 2.612 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.223 3.553 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.917 0.956 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.570 1.418 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.880 1.481 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.129 0.728 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.135 -0.955 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.437 -0.365 3.079 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.728 -1.853 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -10.266 -0.631 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -11.775 -1.486 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.623 -2.833 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -11.978 -2.740 1.213 1.00 0.00 H new ATOM 374 N MET A 465 -4.526 3.473 2.423 1.00 0.00 N ATOM 375 CA MET A 465 -3.118 3.829 2.511 1.00 0.00 C ATOM 376 C MET A 465 -2.462 2.909 3.533 1.00 0.00 C ATOM 377 O MET A 465 -3.138 2.355 4.403 1.00 0.00 O ATOM 378 CB MET A 465 -3.003 5.307 2.918 1.00 0.00 C ATOM 379 CG MET A 465 -1.582 5.870 2.833 1.00 0.00 C ATOM 380 SD MET A 465 -0.474 5.638 4.249 1.00 0.00 S ATOM 381 CE MET A 465 1.043 6.292 3.510 1.00 0.00 C ATOM 0 H MET A 465 -4.961 3.299 3.329 1.00 0.00 H new ATOM 0 HA MET A 465 -2.612 3.705 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.656 5.901 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.367 5.421 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.102 5.428 1.960 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.660 6.941 2.645 1.00 0.00 H new ATOM 0 HE1 MET A 465 1.800 6.418 4.284 1.00 0.00 H new ATOM 0 HE2 MET A 465 1.409 5.597 2.755 1.00 0.00 H new ATOM 0 HE3 MET A 465 0.835 7.256 3.045 1.00 0.00 H new ATOM 391 N ARG A 466 -1.163 2.676 3.392 1.00 0.00 N ATOM 392 CA ARG A 466 -0.363 1.871 4.297 1.00 0.00 C ATOM 393 C ARG A 466 1.084 2.271 4.073 1.00 0.00 C ATOM 394 O ARG A 466 1.444 2.657 2.958 1.00 0.00 O ATOM 395 CB ARG A 466 -0.572 0.359 4.091 1.00 0.00 C ATOM 396 CG ARG A 466 -0.058 -0.178 2.748 1.00 0.00 C ATOM 397 CD ARG A 466 -0.317 -1.682 2.636 1.00 0.00 C ATOM 398 NE ARG A 466 0.203 -2.221 1.369 1.00 0.00 N ATOM 399 CZ ARG A 466 0.231 -3.505 0.996 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.080 -4.493 1.828 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.573 -3.815 -0.243 1.00 0.00 N ATOM 0 H ARG A 466 -0.622 3.057 2.616 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.666 2.057 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.072 -0.177 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.636 0.138 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.552 0.344 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.010 0.021 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.153 -2.198 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.388 -1.875 2.704 1.00 0.00 H new ATOM 0 HE ARG A 466 0.582 -1.545 0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.352 -4.284 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.047 -5.460 1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.813 -3.078 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.597 -4.792 -0.536 1.00 0.00 H new ATOM 415 N GLN A 467 1.922 2.179 5.098 1.00 0.00 N ATOM 416 CA GLN A 467 3.337 2.490 4.980 1.00 0.00 C ATOM 417 C GLN A 467 4.138 1.446 5.746 1.00 0.00 C ATOM 418 O GLN A 467 3.592 0.698 6.565 1.00 0.00 O ATOM 419 CB GLN A 467 3.682 3.957 5.299 1.00 0.00 C ATOM 420 CG GLN A 467 3.197 4.596 6.604 1.00 0.00 C ATOM 421 CD GLN A 467 3.799 6.006 6.719 1.00 0.00 C ATOM 422 OE1 GLN A 467 3.954 6.720 5.728 1.00 0.00 O ATOM 423 NE2 GLN A 467 4.201 6.444 7.898 1.00 0.00 N ATOM 0 H GLN A 467 1.638 1.887 6.033 1.00 0.00 H new ATOM 0 HA GLN A 467 3.633 2.420 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.768 4.045 5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.299 4.565 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.108 4.648 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 467 3.497 3.987 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 467 4.078 5.862 8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 467 4.634 7.364 7.980 1.00 0.00 H new ATOM 432 N ARG A 468 5.419 1.335 5.414 1.00 0.00 N ATOM 433 CA ARG A 468 6.353 0.394 6.023 1.00 0.00 C ATOM 434 C ARG A 468 7.729 1.025 6.166 1.00 0.00 C ATOM 435 O ARG A 468 7.873 2.227 5.950 1.00 0.00 O ATOM 436 CB ARG A 468 6.337 -0.942 5.270 1.00 0.00 C ATOM 437 CG ARG A 468 6.814 -0.902 3.810 1.00 0.00 C ATOM 438 CD ARG A 468 6.775 -2.351 3.324 1.00 0.00 C ATOM 439 NE ARG A 468 6.948 -2.521 1.875 1.00 0.00 N ATOM 440 CZ ARG A 468 6.987 -3.721 1.281 1.00 0.00 C ATOM 441 NH1 ARG A 468 6.976 -4.837 2.007 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.058 -3.801 -0.036 1.00 0.00 N ATOM 0 H ARG A 468 5.849 1.914 4.693 1.00 0.00 H new ATOM 0 HA ARG A 468 6.036 0.158 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.961 -1.650 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.320 -1.333 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.167 -0.268 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.821 -0.492 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.556 -2.912 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.822 -2.792 3.616 1.00 0.00 H new ATOM 0 HE ARG A 468 7.043 -1.687 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.938 -4.783 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.006 -5.746 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.083 -2.950 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.088 -4.714 -0.491 1.00 0.00 H new ATOM 456 N MET A 469 8.735 0.235 6.542 1.00 0.00 N ATOM 457 CA MET A 469 10.094 0.714 6.723 1.00 0.00 C ATOM 458 C MET A 469 11.049 -0.119 5.878 1.00 0.00 C ATOM 459 O MET A 469 10.806 -1.300 5.605 1.00 0.00 O ATOM 460 CB MET A 469 10.447 0.636 8.219 1.00 0.00 C ATOM 461 CG MET A 469 11.544 1.629 8.612 1.00 0.00 C ATOM 462 SD MET A 469 11.062 3.372 8.475 1.00 0.00 S ATOM 463 CE MET A 469 12.686 4.131 8.736 1.00 0.00 C ATOM 0 H MET A 469 8.623 -0.761 6.729 1.00 0.00 H new ATOM 0 HA MET A 469 10.183 1.750 6.396 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.553 0.833 8.811 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.773 -0.376 8.460 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.847 1.428 9.640 1.00 0.00 H new ATOM 0 HG3 MET A 469 12.417 1.456 7.982 1.00 0.00 H new ATOM 0 HE1 MET A 469 12.593 5.216 8.687 1.00 0.00 H new ATOM 0 HE2 MET A 469 13.069 3.844 9.715 1.00 0.00 H new ATOM 0 HE3 MET A 469 13.375 3.791 7.963 1.00 0.00 H new ATOM 473 N LEU A 470 12.130 0.506 5.428 1.00 0.00 N ATOM 474 CA LEU A 470 13.158 -0.135 4.630 1.00 0.00 C ATOM 475 C LEU A 470 14.061 -0.878 5.623 1.00 0.00 C ATOM 476 O LEU A 470 14.523 -0.278 6.595 1.00 0.00 O ATOM 477 CB LEU A 470 13.868 0.954 3.800 1.00 0.00 C ATOM 478 CG LEU A 470 14.846 0.469 2.715 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.199 0.072 3.290 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.262 -0.658 1.857 1.00 0.00 C ATOM 0 H LEU A 470 12.317 1.492 5.613 1.00 0.00 H new ATOM 0 HA LEU A 470 12.785 -0.862 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.105 1.568 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.414 1.602 4.485 1.00 0.00 H new ATOM 0 HG LEU A 470 15.007 1.324 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.853 -0.263 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.648 0.931 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 470 16.066 -0.736 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.994 -0.962 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.018 -1.510 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.358 -0.306 1.359 1.00 0.00 H new ATOM 492 N LYS A 471 14.231 -2.195 5.456 1.00 0.00 N ATOM 493 CA LYS A 471 15.069 -3.035 6.320 1.00 0.00 C ATOM 494 C LYS A 471 16.501 -3.093 5.795 1.00 0.00 C ATOM 495 O LYS A 471 17.440 -3.127 6.593 1.00 0.00 O ATOM 496 CB LYS A 471 14.510 -4.458 6.427 1.00 0.00 C ATOM 497 CG LYS A 471 13.260 -4.565 7.303 1.00 0.00 C ATOM 498 CD LYS A 471 12.883 -6.031 7.550 1.00 0.00 C ATOM 499 CE LYS A 471 12.610 -6.766 6.232 1.00 0.00 C ATOM 500 NZ LYS A 471 13.675 -7.722 5.863 1.00 0.00 N ATOM 0 H LYS A 471 13.782 -2.716 4.703 1.00 0.00 H new ATOM 0 HA LYS A 471 15.066 -2.582 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.274 -4.822 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.282 -5.113 6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.436 -4.066 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.429 -4.049 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.689 -6.530 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.999 -6.079 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 471 11.663 -7.301 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 471 12.496 -6.034 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.430 -8.185 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 14.576 -7.214 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 13.769 -8.441 6.608 1.00 0.00 H new ATOM 514 N ALA A 472 16.661 -3.205 4.475 1.00 0.00 N ATOM 515 CA ALA A 472 17.918 -3.257 3.746 1.00 0.00 C ATOM 516 C ALA A 472 17.630 -2.912 2.281 1.00 0.00 C ATOM 517 O ALA A 472 16.472 -2.877 1.860 1.00 0.00 O ATOM 518 CB ALA A 472 18.530 -4.658 3.857 1.00 0.00 C ATOM 0 H ALA A 472 15.857 -3.265 3.850 1.00 0.00 H new ATOM 0 HA ALA A 472 18.630 -2.545 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.471 -4.688 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.714 -4.893 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.841 -5.390 3.436 1.00 0.00 H new ATOM 524 N GLN A 473 18.668 -2.654 1.498 1.00 0.00 N ATOM 525 CA GLN A 473 18.597 -2.319 0.084 1.00 0.00 C ATOM 526 C GLN A 473 19.807 -2.949 -0.598 1.00 0.00 C ATOM 527 O GLN A 473 20.889 -3.053 -0.007 1.00 0.00 O ATOM 528 CB GLN A 473 18.539 -0.789 -0.102 1.00 0.00 C ATOM 529 CG GLN A 473 19.798 -0.068 0.403 1.00 0.00 C ATOM 530 CD GLN A 473 19.516 1.361 0.839 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.288 1.620 2.019 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.456 2.320 -0.063 1.00 0.00 N ATOM 0 H GLN A 473 19.626 -2.674 1.848 1.00 0.00 H new ATOM 0 HA GLN A 473 17.689 -2.713 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.399 -0.563 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.669 -0.398 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.219 -0.624 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.550 -0.062 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.644 2.111 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.221 3.272 0.219 1.00 0.00 H new ATOM 541 N LEU A 474 19.621 -3.385 -1.841 1.00 0.00 N ATOM 542 CA LEU A 474 20.674 -4.000 -2.626 1.00 0.00 C ATOM 543 C LEU A 474 21.654 -2.929 -3.095 1.00 0.00 C ATOM 544 O LEU A 474 22.830 -3.236 -3.271 1.00 0.00 O ATOM 545 CB LEU A 474 20.080 -4.721 -3.848 1.00 0.00 C ATOM 546 CG LEU A 474 19.567 -6.141 -3.544 1.00 0.00 C ATOM 547 CD1 LEU A 474 18.356 -6.210 -2.604 1.00 0.00 C ATOM 548 CD2 LEU A 474 19.214 -6.853 -4.850 1.00 0.00 C ATOM 0 H LEU A 474 18.728 -3.319 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 474 21.195 -4.729 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.258 -4.125 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 474 20.839 -4.778 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 474 20.387 -6.632 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.072 -7.251 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 474 18.614 -5.761 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 474 17.521 -5.666 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 474 18.852 -7.857 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 474 18.438 -6.293 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.101 -6.917 -5.481 1.00 0.00 H new ATOM 560 N ASP A 475 21.199 -1.692 -3.285 1.00 0.00 N ATOM 561 CA ASP A 475 22.013 -0.577 -3.748 1.00 0.00 C ATOM 562 C ASP A 475 22.069 0.472 -2.651 1.00 0.00 C ATOM 563 O ASP A 475 21.118 1.227 -2.443 1.00 0.00 O ATOM 564 CB ASP A 475 21.441 -0.044 -5.065 1.00 0.00 C ATOM 565 CG ASP A 475 22.303 1.049 -5.702 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.172 1.636 -5.018 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.129 1.249 -6.927 1.00 0.00 O ATOM 0 H ASP A 475 20.227 -1.434 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 475 23.037 -0.889 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.336 -0.870 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.441 0.350 -4.885 1.00 0.00 H new ATOM 572 N LEU A 476 23.174 0.482 -1.902 1.00 0.00 N ATOM 573 CA LEU A 476 23.406 1.407 -0.796 1.00 0.00 C ATOM 574 C LEU A 476 23.472 2.872 -1.246 1.00 0.00 C ATOM 575 O LEU A 476 23.546 3.753 -0.385 1.00 0.00 O ATOM 576 CB LEU A 476 24.673 0.997 -0.018 1.00 0.00 C ATOM 577 CG LEU A 476 24.454 -0.009 1.131 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.768 0.647 2.338 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.653 -1.249 0.713 1.00 0.00 C ATOM 0 H LEU A 476 23.947 -0.167 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 476 22.546 1.339 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.386 0.568 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 476 25.132 1.896 0.393 1.00 0.00 H new ATOM 0 HG LEU A 476 25.455 -0.337 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.631 -0.094 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 476 24.388 1.462 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.797 1.039 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.537 -1.913 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.670 -0.943 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.182 -1.773 -0.083 1.00 0.00 H new ATOM 591 N SER A 477 23.459 3.173 -2.546 1.00 0.00 N ATOM 592 CA SER A 477 23.489 4.533 -3.066 1.00 0.00 C ATOM 593 C SER A 477 22.134 4.952 -3.639 1.00 0.00 C ATOM 594 O SER A 477 21.975 6.123 -3.998 1.00 0.00 O ATOM 595 CB SER A 477 24.627 4.674 -4.081 1.00 0.00 C ATOM 596 OG SER A 477 25.892 4.543 -3.438 1.00 0.00 O ATOM 0 H SER A 477 23.427 2.462 -3.277 1.00 0.00 H new ATOM 0 HA SER A 477 23.687 5.220 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.527 3.914 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.563 5.643 -4.575 1.00 0.00 H new ATOM 0 HG SER A 477 26.607 4.634 -4.102 1.00 0.00 H new ATOM 602 N VAL A 478 21.130 4.074 -3.650 1.00 0.00 N ATOM 603 CA VAL A 478 19.804 4.358 -4.182 1.00 0.00 C ATOM 604 C VAL A 478 18.772 3.948 -3.128 1.00 0.00 C ATOM 605 O VAL A 478 18.719 2.768 -2.773 1.00 0.00 O ATOM 606 CB VAL A 478 19.643 3.604 -5.508 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.232 3.765 -6.095 1.00 0.00 C ATOM 608 CG2 VAL A 478 20.670 4.103 -6.535 1.00 0.00 C ATOM 0 H VAL A 478 21.222 3.128 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 478 19.658 5.418 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 478 19.809 2.548 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.163 3.215 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.498 3.374 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.032 4.821 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.543 3.558 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.520 5.168 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 478 21.677 3.937 -6.152 1.00 0.00 H new ATOM 618 N PRO A 479 17.988 4.889 -2.575 1.00 0.00 N ATOM 619 CA PRO A 479 16.994 4.571 -1.566 1.00 0.00 C ATOM 620 C PRO A 479 15.815 3.820 -2.174 1.00 0.00 C ATOM 621 O PRO A 479 15.704 3.634 -3.385 1.00 0.00 O ATOM 622 CB PRO A 479 16.544 5.919 -0.998 1.00 0.00 C ATOM 623 CG PRO A 479 16.674 6.835 -2.210 1.00 0.00 C ATOM 624 CD PRO A 479 17.934 6.308 -2.895 1.00 0.00 C ATOM 0 HA PRO A 479 17.404 3.921 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.521 5.882 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.176 6.244 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 479 15.802 6.771 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 479 16.778 7.880 -1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 479 17.890 6.466 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 479 18.823 6.826 -2.534 1.00 0.00 H new ATOM 632 N CYS A 480 14.903 3.444 -1.292 1.00 0.00 N ATOM 633 CA CYS A 480 13.691 2.720 -1.584 1.00 0.00 C ATOM 634 C CYS A 480 12.489 3.538 -1.094 1.00 0.00 C ATOM 635 O CYS A 480 11.914 3.218 -0.050 1.00 0.00 O ATOM 636 CB CYS A 480 13.827 1.365 -0.900 1.00 0.00 C ATOM 637 SG CYS A 480 15.257 0.408 -1.464 1.00 0.00 S ATOM 0 H CYS A 480 15.001 3.651 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 480 13.530 2.559 -2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.904 1.517 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 480 12.921 0.786 -1.076 1.00 0.00 H new ATOM 642 N PRO A 481 12.087 4.590 -1.830 1.00 0.00 N ATOM 643 CA PRO A 481 10.970 5.465 -1.477 1.00 0.00 C ATOM 644 C PRO A 481 9.594 4.786 -1.452 1.00 0.00 C ATOM 645 O PRO A 481 8.644 5.386 -0.954 1.00 0.00 O ATOM 646 CB PRO A 481 11.002 6.591 -2.517 1.00 0.00 C ATOM 647 CG PRO A 481 11.640 5.913 -3.728 1.00 0.00 C ATOM 648 CD PRO A 481 12.696 5.041 -3.074 1.00 0.00 C ATOM 0 HA PRO A 481 11.097 5.813 -0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.002 6.963 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.589 7.443 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.918 5.325 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.076 6.635 -4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.964 4.199 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.611 5.602 -2.886 1.00 0.00 H new ATOM 656 N ASP A 482 9.454 3.545 -1.929 1.00 0.00 N ATOM 657 CA ASP A 482 8.188 2.801 -1.951 1.00 0.00 C ATOM 658 C ASP A 482 7.724 2.351 -0.558 1.00 0.00 C ATOM 659 O ASP A 482 7.041 1.335 -0.413 1.00 0.00 O ATOM 660 CB ASP A 482 8.260 1.627 -2.941 1.00 0.00 C ATOM 661 CG ASP A 482 8.022 2.086 -4.371 1.00 0.00 C ATOM 662 OD1 ASP A 482 6.856 2.427 -4.690 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.991 2.065 -5.164 1.00 0.00 O ATOM 0 H ASP A 482 10.234 3.017 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 482 7.423 3.494 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.237 1.149 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.517 0.876 -2.671 1.00 0.00 H new ATOM 668 N THR A 483 8.103 3.047 0.508 1.00 0.00 N ATOM 669 CA THR A 483 7.707 2.739 1.871 1.00 0.00 C ATOM 670 C THR A 483 6.246 3.147 2.127 1.00 0.00 C ATOM 671 O THR A 483 5.839 3.226 3.283 1.00 0.00 O ATOM 672 CB THR A 483 8.728 3.356 2.849 1.00 0.00 C ATOM 673 OG1 THR A 483 9.171 4.638 2.455 1.00 0.00 O ATOM 674 CG2 THR A 483 9.954 2.444 2.920 1.00 0.00 C ATOM 0 H THR A 483 8.711 3.863 0.443 1.00 0.00 H new ATOM 0 HA THR A 483 7.726 1.662 2.040 1.00 0.00 H new ATOM 0 HB THR A 483 8.225 3.454 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.813 4.978 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.684 2.869 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.654 1.457 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.399 2.355 1.929 1.00 0.00 H new ATOM 682 N GLN A 484 5.446 3.418 1.088 1.00 0.00 N ATOM 683 CA GLN A 484 4.041 3.796 1.129 1.00 0.00 C ATOM 684 C GLN A 484 3.331 3.145 -0.063 1.00 0.00 C ATOM 685 O GLN A 484 3.909 3.047 -1.150 1.00 0.00 O ATOM 686 CB GLN A 484 3.870 5.324 1.125 1.00 0.00 C ATOM 687 CG GLN A 484 4.770 6.082 0.134 1.00 0.00 C ATOM 688 CD GLN A 484 4.338 7.539 0.041 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.770 7.968 -0.961 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.528 8.326 1.088 1.00 0.00 N ATOM 0 H GLN A 484 5.796 3.374 0.131 1.00 0.00 H new ATOM 0 HA GLN A 484 3.593 3.441 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.830 5.556 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.067 5.698 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.809 6.023 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.715 5.615 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 484 5.000 7.966 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.203 9.292 1.065 1.00 0.00 H new ATOM 699 N ASP A 485 2.086 2.708 0.126 1.00 0.00 N ATOM 700 CA ASP A 485 1.265 2.054 -0.902 1.00 0.00 C ATOM 701 C ASP A 485 -0.206 2.452 -0.733 1.00 0.00 C ATOM 702 O ASP A 485 -0.628 2.765 0.384 1.00 0.00 O ATOM 703 CB ASP A 485 1.476 0.542 -0.796 1.00 0.00 C ATOM 704 CG ASP A 485 0.861 -0.300 -1.910 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.382 0.224 -2.936 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.889 -1.541 -1.739 1.00 0.00 O ATOM 0 H ASP A 485 1.605 2.800 1.021 1.00 0.00 H new ATOM 0 HA ASP A 485 1.563 2.376 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.548 0.346 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.066 0.204 0.156 1.00 0.00 H new ATOM 711 N PHE A 486 -0.986 2.444 -1.820 1.00 0.00 N ATOM 712 CA PHE A 486 -2.396 2.810 -1.857 1.00 0.00 C ATOM 713 C PHE A 486 -3.192 1.908 -2.807 1.00 0.00 C ATOM 714 O PHE A 486 -3.006 2.005 -4.021 1.00 0.00 O ATOM 715 CB PHE A 486 -2.559 4.263 -2.337 1.00 0.00 C ATOM 716 CG PHE A 486 -2.010 5.368 -1.459 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.645 5.711 -1.513 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.899 6.145 -0.692 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.165 6.819 -0.796 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.428 7.278 -0.009 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.063 7.611 -0.060 1.00 0.00 C ATOM 0 H PHE A 486 -0.630 2.169 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.779 2.693 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.085 4.347 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.623 4.449 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.035 5.120 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.942 5.870 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.887 7.061 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.114 7.893 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.702 8.480 0.469 1.00 0.00 H new ATOM 731 N GLN A 487 -4.111 1.069 -2.306 1.00 0.00 N ATOM 732 CA GLN A 487 -4.933 0.170 -3.131 1.00 0.00 C ATOM 733 C GLN A 487 -6.393 0.644 -3.198 1.00 0.00 C ATOM 734 O GLN A 487 -6.849 1.332 -2.279 1.00 0.00 O ATOM 735 CB GLN A 487 -4.884 -1.277 -2.583 1.00 0.00 C ATOM 736 CG GLN A 487 -3.934 -2.240 -3.326 1.00 0.00 C ATOM 737 CD GLN A 487 -2.516 -1.725 -3.530 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.296 -0.813 -4.318 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.541 -2.331 -2.886 1.00 0.00 N ATOM 0 H GLN A 487 -4.307 0.995 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.517 0.188 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.587 -1.240 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.891 -1.693 -2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -3.886 -3.177 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.364 -2.468 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.752 -3.088 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -0.574 -2.044 -3.038 1.00 0.00 H new ATOM 748 N PRO A 488 -7.134 0.258 -4.258 1.00 0.00 N ATOM 749 CA PRO A 488 -8.539 0.609 -4.450 1.00 0.00 C ATOM 750 C PRO A 488 -9.407 0.004 -3.339 1.00 0.00 C ATOM 751 O PRO A 488 -9.138 -1.102 -2.869 1.00 0.00 O ATOM 752 CB PRO A 488 -8.891 0.090 -5.849 1.00 0.00 C ATOM 753 CG PRO A 488 -7.910 -1.044 -6.106 1.00 0.00 C ATOM 754 CD PRO A 488 -6.665 -0.545 -5.385 1.00 0.00 C ATOM 0 HA PRO A 488 -8.722 1.682 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -9.922 -0.262 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -8.791 0.876 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.265 -1.992 -5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -7.732 -1.198 -7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.055 -1.380 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.042 0.050 -6.053 1.00 0.00 H new ATOM 762 N CYS A 489 -10.475 0.700 -2.944 1.00 0.00 N ATOM 763 CA CYS A 489 -11.406 0.297 -1.901 1.00 0.00 C ATOM 764 C CYS A 489 -12.844 0.679 -2.271 1.00 0.00 C ATOM 765 O CYS A 489 -13.089 1.355 -3.273 1.00 0.00 O ATOM 766 CB CYS A 489 -10.929 1.017 -0.638 1.00 0.00 C ATOM 767 SG CYS A 489 -12.013 1.093 0.804 1.00 0.00 S ATOM 0 H CYS A 489 -10.720 1.597 -3.363 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.421 -0.783 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.999 0.543 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.686 2.042 -0.918 1.00 0.00 H new ATOM 772 N MET A 490 -13.799 0.132 -1.523 1.00 0.00 N ATOM 773 CA MET A 490 -15.236 0.333 -1.611 1.00 0.00 C ATOM 774 C MET A 490 -15.722 0.214 -0.168 1.00 0.00 C ATOM 775 O MET A 490 -15.262 -0.690 0.539 1.00 0.00 O ATOM 776 CB MET A 490 -15.930 -0.724 -2.471 1.00 0.00 C ATOM 777 CG MET A 490 -15.464 -0.739 -3.929 1.00 0.00 C ATOM 778 SD MET A 490 -16.631 -1.462 -5.111 1.00 0.00 S ATOM 779 CE MET A 490 -17.186 -2.962 -4.247 1.00 0.00 C ATOM 0 H MET A 490 -13.562 -0.520 -0.775 1.00 0.00 H new ATOM 0 HA MET A 490 -15.465 1.291 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.755 -1.707 -2.033 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.006 -0.551 -2.445 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.251 0.285 -4.235 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.526 -1.291 -3.987 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.851 -3.531 -4.897 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.322 -3.573 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.719 -2.682 -3.338 1.00 0.00 H new ATOM 789 N GLY A 491 -16.665 1.059 0.244 1.00 0.00 N ATOM 790 CA GLY A 491 -17.198 1.075 1.602 1.00 0.00 C ATOM 791 C GLY A 491 -17.871 -0.227 2.043 1.00 0.00 C ATOM 792 O GLY A 491 -18.077 -1.138 1.231 1.00 0.00 O ATOM 0 H GLY A 491 -17.085 1.761 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.386 1.300 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.921 1.887 1.684 1.00 0.00 H new ATOM 796 N PRO A 492 -18.205 -0.334 3.341 1.00 0.00 N ATOM 797 CA PRO A 492 -18.858 -1.507 3.897 1.00 0.00 C ATOM 798 C PRO A 492 -20.246 -1.623 3.281 1.00 0.00 C ATOM 799 O PRO A 492 -20.938 -0.622 3.092 1.00 0.00 O ATOM 800 CB PRO A 492 -18.911 -1.290 5.412 1.00 0.00 C ATOM 801 CG PRO A 492 -18.876 0.229 5.551 1.00 0.00 C ATOM 802 CD PRO A 492 -18.015 0.676 4.372 1.00 0.00 C ATOM 0 HA PRO A 492 -18.330 -2.436 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -19.816 -1.713 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -18.066 -1.760 5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.876 0.659 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -18.442 0.535 6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -18.319 1.661 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -16.966 0.750 4.659 1.00 0.00 H new ATOM 810 N GLY A 493 -20.647 -2.838 2.945 1.00 0.00 N ATOM 811 CA GLY A 493 -21.932 -3.152 2.352 1.00 0.00 C ATOM 812 C GLY A 493 -21.989 -2.943 0.839 1.00 0.00 C ATOM 813 O GLY A 493 -22.937 -3.427 0.226 1.00 0.00 O ATOM 0 H GLY A 493 -20.063 -3.662 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -22.179 -4.190 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -22.698 -2.535 2.822 1.00 0.00 H new ATOM 817 N CYS A 494 -20.978 -2.326 0.214 1.00 0.00 N ATOM 818 CA CYS A 494 -20.912 -2.078 -1.236 1.00 0.00 C ATOM 819 C CYS A 494 -20.774 -3.367 -2.058 1.00 0.00 C ATOM 820 O CYS A 494 -20.635 -3.368 -3.284 1.00 0.00 O ATOM 821 CB CYS A 494 -19.712 -1.185 -1.488 1.00 0.00 C ATOM 822 SG CYS A 494 -19.580 -0.428 -3.133 1.00 0.00 S ATOM 0 H CYS A 494 -20.161 -1.976 0.714 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.845 -1.610 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -19.723 -0.386 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -18.810 -1.771 -1.311 1.00 0.00 H new ATOM 827 N SER A 495 -20.674 -4.479 -1.359 1.00 0.00 N ATOM 828 CA SER A 495 -20.573 -5.828 -1.862 1.00 0.00 C ATOM 829 C SER A 495 -21.447 -6.679 -0.942 1.00 0.00 C ATOM 830 O SER A 495 -21.547 -6.379 0.250 1.00 0.00 O ATOM 831 CB SER A 495 -19.114 -6.262 -1.908 1.00 0.00 C ATOM 832 OG SER A 495 -18.446 -5.482 -2.884 1.00 0.00 O ATOM 0 H SER A 495 -20.660 -4.457 -0.339 1.00 0.00 H new ATOM 0 HA SER A 495 -20.925 -5.931 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 495 -18.648 -6.129 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 495 -19.041 -7.321 -2.154 1.00 0.00 H new ATOM 0 HG SER A 495 -17.504 -5.747 -2.926 1.00 0.00 H new ATOM 838 N ASP A 496 -22.033 -7.751 -1.478 1.00 0.00 N ATOM 839 CA ASP A 496 -22.932 -8.676 -0.777 1.00 0.00 C ATOM 840 C ASP A 496 -24.277 -8.009 -0.438 1.00 0.00 C ATOM 841 O ASP A 496 -25.036 -8.514 0.384 1.00 0.00 O ATOM 842 CB ASP A 496 -22.253 -9.381 0.409 1.00 0.00 C ATOM 843 CG ASP A 496 -23.083 -10.542 0.960 1.00 0.00 C ATOM 844 OD1 ASP A 496 -23.364 -11.513 0.220 1.00 0.00 O ATOM 845 OD2 ASP A 496 -23.377 -10.538 2.183 1.00 0.00 O ATOM 0 H ASP A 496 -21.889 -8.011 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 496 -23.173 -9.486 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -21.278 -9.754 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -22.076 -8.657 1.204 1.00 0.00 H new ATOM 850 N GLU A 497 -24.577 -6.856 -1.050 1.00 0.00 N ATOM 851 CA GLU A 497 -25.845 -6.140 -0.857 1.00 0.00 C ATOM 852 C GLU A 497 -26.971 -6.997 -1.465 1.00 0.00 C ATOM 853 O GLU A 497 -28.093 -7.032 -0.965 1.00 0.00 O ATOM 854 CB GLU A 497 -25.762 -4.781 -1.574 1.00 0.00 C ATOM 855 CG GLU A 497 -26.967 -3.850 -1.342 1.00 0.00 C ATOM 856 CD GLU A 497 -26.700 -2.758 -0.300 1.00 0.00 C ATOM 857 OE1 GLU A 497 -26.373 -3.065 0.874 1.00 0.00 O ATOM 858 OE2 GLU A 497 -26.818 -1.558 -0.648 1.00 0.00 O ATOM 0 H GLU A 497 -23.942 -6.390 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 497 -26.043 -5.969 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -24.857 -4.269 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -25.659 -4.957 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -27.242 -3.381 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -27.821 -4.446 -1.022 1.00 0.00 H new ATOM 865 N ASP A 498 -26.626 -7.705 -2.548 1.00 0.00 N ATOM 866 CA ASP A 498 -27.398 -8.625 -3.384 1.00 0.00 C ATOM 867 C ASP A 498 -28.590 -8.013 -4.125 1.00 0.00 C ATOM 868 O ASP A 498 -28.939 -8.479 -5.213 1.00 0.00 O ATOM 869 CB ASP A 498 -27.761 -9.896 -2.607 1.00 0.00 C ATOM 870 CG ASP A 498 -27.884 -11.099 -3.536 1.00 0.00 C ATOM 871 OD1 ASP A 498 -26.996 -11.279 -4.403 1.00 0.00 O ATOM 872 OD2 ASP A 498 -28.770 -11.961 -3.336 1.00 0.00 O ATOM 0 H ASP A 498 -25.672 -7.634 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 498 -26.729 -8.899 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -26.999 -10.093 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -28.702 -9.745 -2.078 1.00 0.00 H new ATOM 877 N GLY A 499 -29.193 -6.956 -3.583 1.00 0.00 N ATOM 878 CA GLY A 499 -30.311 -6.252 -4.191 1.00 0.00 C ATOM 879 C GLY A 499 -29.800 -5.424 -5.357 1.00 0.00 C ATOM 880 O GLY A 499 -28.584 -5.139 -5.420 1.00 0.00 O ATOM 0 H GLY A 499 -28.908 -6.559 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -31.061 -6.964 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -30.795 -5.609 -3.456 1.00 0.00 H new TER 884 GLY A 499