USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 TYR OH : rot 60:sc= -0.192 USER MOD Single : A 446 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 171:sc= 0.702 USER MOD Single : A 452 SER OG : rot -81:sc= 0.396 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -161:sc= 1.14 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 CYS SG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -147:sc= 0.00389 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00925) USER MOD Single : A 465 MET CE :methyl 167:sc= -0.0931 (180deg=-0.554) 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+ 170:sc= 0 (180deg=-0.0961) USER MOD Single : A 473 GLN : amide:sc= 0.465 K(o=0.47,f=-0.092) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot -42:sc= 0.223 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= -0.483! X(o=-0.48!,f=-0.059) USER MOD Single : A 490 MET CE :methyl 163:sc= -0.0226 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 14.261 -5.906 -6.662 1.00 0.00 N ATOM 20 CA GLU A 441 15.287 -6.943 -6.562 1.00 0.00 C ATOM 21 C GLU A 441 16.563 -6.452 -5.885 1.00 0.00 C ATOM 22 O GLU A 441 17.495 -7.214 -5.632 1.00 0.00 O ATOM 23 CB GLU A 441 15.563 -7.477 -7.957 1.00 0.00 C ATOM 24 CG GLU A 441 16.110 -6.419 -8.923 1.00 0.00 C ATOM 25 CD GLU A 441 16.311 -6.982 -10.334 1.00 0.00 C ATOM 26 OE1 GLU A 441 15.380 -7.576 -10.934 1.00 0.00 O ATOM 27 OE2 GLU A 441 17.402 -6.799 -10.910 1.00 0.00 O ATOM 0 HA GLU A 441 14.914 -7.743 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.277 -8.298 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.642 -7.890 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.422 -5.575 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.059 -6.039 -8.545 1.00 0.00 H new ATOM 34 N THR A 442 16.602 -5.161 -5.601 1.00 0.00 N ATOM 35 CA THR A 442 17.694 -4.475 -4.924 1.00 0.00 C ATOM 36 C THR A 442 17.184 -3.845 -3.627 1.00 0.00 C ATOM 37 O THR A 442 17.944 -3.201 -2.903 1.00 0.00 O ATOM 38 CB THR A 442 18.345 -3.433 -5.835 1.00 0.00 C ATOM 39 OG1 THR A 442 17.363 -2.645 -6.467 1.00 0.00 O ATOM 40 CG2 THR A 442 19.221 -4.070 -6.905 1.00 0.00 C ATOM 0 H THR A 442 15.838 -4.532 -5.847 1.00 0.00 H new ATOM 0 HA THR A 442 18.465 -5.204 -4.675 1.00 0.00 H new ATOM 0 HB THR A 442 18.974 -2.812 -5.197 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.797 -1.983 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.661 -3.290 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.015 -4.646 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.615 -4.730 -7.526 1.00 0.00 H new ATOM 48 N CYS A 443 15.900 -4.038 -3.319 1.00 0.00 N ATOM 49 CA CYS A 443 15.274 -3.486 -2.129 1.00 0.00 C ATOM 50 C CYS A 443 14.497 -4.544 -1.348 1.00 0.00 C ATOM 51 O CYS A 443 13.673 -5.249 -1.926 1.00 0.00 O ATOM 52 CB CYS A 443 14.369 -2.305 -2.497 1.00 0.00 C ATOM 53 SG CYS A 443 15.145 -0.835 -3.239 1.00 0.00 S ATOM 0 H CYS A 443 15.265 -4.588 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 443 16.070 -3.126 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.611 -2.668 -3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.849 -1.988 -1.593 1.00 0.00 H new ATOM 58 N ILE A 444 14.764 -4.636 -0.041 1.00 0.00 N ATOM 59 CA ILE A 444 14.174 -5.547 0.926 1.00 0.00 C ATOM 60 C ILE A 444 13.535 -4.667 2.005 1.00 0.00 C ATOM 61 O ILE A 444 14.210 -4.077 2.855 1.00 0.00 O ATOM 62 CB ILE A 444 15.224 -6.531 1.504 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.073 -7.262 0.436 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.533 -7.529 2.444 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.298 -8.179 -0.516 1.00 0.00 C ATOM 0 H ILE A 444 15.454 -4.024 0.395 1.00 0.00 H new ATOM 0 HA ILE A 444 13.423 -6.186 0.462 1.00 0.00 H new ATOM 0 HB ILE A 444 15.940 -5.927 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.599 -6.514 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.832 -7.856 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.273 -8.220 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.056 -6.988 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.779 -8.089 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 444 15.990 -8.639 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 444 14.794 -8.957 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.558 -7.594 -1.062 1.00 0.00 H new ATOM 77 N TYR A 445 12.214 -4.547 1.948 1.00 0.00 N ATOM 78 CA TYR A 445 11.426 -3.753 2.877 1.00 0.00 C ATOM 79 C TYR A 445 10.785 -4.662 3.917 1.00 0.00 C ATOM 80 O TYR A 445 10.790 -5.887 3.796 1.00 0.00 O ATOM 81 CB TYR A 445 10.309 -3.000 2.141 1.00 0.00 C ATOM 82 CG TYR A 445 10.648 -2.421 0.782 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.755 -3.260 -0.347 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.783 -1.031 0.631 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.074 -2.723 -1.602 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.105 -0.486 -0.620 1.00 0.00 C ATOM 87 CZ TYR A 445 11.268 -1.331 -1.739 1.00 0.00 C ATOM 88 OH TYR A 445 11.634 -0.787 -2.928 1.00 0.00 O ATOM 0 H TYR A 445 11.649 -5.011 1.237 1.00 0.00 H new ATOM 0 HA TYR A 445 12.093 -3.036 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.466 -3.680 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.971 -2.185 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.590 -4.322 -0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.638 -0.380 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.171 -3.371 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.228 0.582 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 445 10.953 -0.989 -3.603 1.00 0.00 H new ATOM 98 N SER A 446 10.213 -4.052 4.942 1.00 0.00 N ATOM 99 CA SER A 446 9.518 -4.731 6.014 1.00 0.00 C ATOM 100 C SER A 446 8.086 -5.045 5.564 1.00 0.00 C ATOM 101 O SER A 446 7.702 -4.828 4.408 1.00 0.00 O ATOM 102 CB SER A 446 9.553 -3.807 7.239 1.00 0.00 C ATOM 103 OG SER A 446 9.053 -4.408 8.417 1.00 0.00 O ATOM 0 H SER A 446 10.222 -3.038 5.051 1.00 0.00 H new ATOM 0 HA SER A 446 9.989 -5.679 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.580 -3.487 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.972 -2.910 7.024 1.00 0.00 H new ATOM 0 HG SER A 446 9.105 -3.769 9.158 1.00 0.00 H new ATOM 109 N ASN A 447 7.343 -5.662 6.480 1.00 0.00 N ATOM 110 CA ASN A 447 5.948 -6.042 6.334 1.00 0.00 C ATOM 111 C ASN A 447 5.147 -4.746 6.212 1.00 0.00 C ATOM 112 O ASN A 447 5.405 -3.781 6.930 1.00 0.00 O ATOM 113 CB ASN A 447 5.518 -6.855 7.568 1.00 0.00 C ATOM 114 CG ASN A 447 4.036 -6.727 7.903 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.705 -6.238 8.980 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.141 -7.164 7.037 1.00 0.00 N ATOM 0 H ASN A 447 7.722 -5.922 7.391 1.00 0.00 H new ATOM 0 HA ASN A 447 5.781 -6.664 5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.753 -7.906 7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 447 6.105 -6.531 8.428 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.147 -7.100 7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.444 -7.566 6.150 1.00 0.00 H new ATOM 123 N TRP A 448 4.204 -4.721 5.277 1.00 0.00 N ATOM 124 CA TRP A 448 3.352 -3.574 5.036 1.00 0.00 C ATOM 125 C TRP A 448 2.480 -3.263 6.254 1.00 0.00 C ATOM 126 O TRP A 448 2.029 -4.179 6.948 1.00 0.00 O ATOM 127 CB TRP A 448 2.477 -3.881 3.819 1.00 0.00 C ATOM 128 CG TRP A 448 3.114 -3.640 2.486 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.441 -4.570 1.558 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.460 -2.353 1.900 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.942 -3.942 0.430 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.982 -2.572 0.591 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.386 -1.020 2.353 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.429 -1.517 -0.220 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.854 0.038 1.556 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.400 -0.206 0.289 1.00 0.00 C ATOM 0 H TRP A 448 4.011 -5.510 4.660 1.00 0.00 H new ATOM 0 HA TRP A 448 3.969 -2.695 4.850 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.168 -4.925 3.870 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.572 -3.277 3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.328 -5.637 1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.243 -4.430 -0.413 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.964 -0.810 3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.790 -1.709 -1.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.792 1.051 1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.798 0.611 -0.295 1.00 0.00 H new ATOM 147 N SER A 449 2.226 -1.980 6.523 1.00 0.00 N ATOM 148 CA SER A 449 1.379 -1.580 7.635 1.00 0.00 C ATOM 149 C SER A 449 -0.041 -2.074 7.353 1.00 0.00 C ATOM 150 O SER A 449 -0.389 -2.313 6.186 1.00 0.00 O ATOM 151 CB SER A 449 1.396 -0.054 7.821 1.00 0.00 C ATOM 152 OG SER A 449 0.733 0.653 6.789 1.00 0.00 O ATOM 0 H SER A 449 2.600 -1.202 5.980 1.00 0.00 H new ATOM 0 HA SER A 449 1.753 -2.020 8.559 1.00 0.00 H new ATOM 0 HB2 SER A 449 0.930 0.192 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 449 2.431 0.285 7.875 1.00 0.00 H new ATOM 0 HG SER A 449 0.653 1.597 7.038 1.00 0.00 H new ATOM 158 N PRO A 450 -0.895 -2.209 8.377 1.00 0.00 N ATOM 159 CA PRO A 450 -2.257 -2.626 8.125 1.00 0.00 C ATOM 160 C PRO A 450 -2.899 -1.466 7.359 1.00 0.00 C ATOM 161 O PRO A 450 -2.594 -0.296 7.644 1.00 0.00 O ATOM 162 CB PRO A 450 -2.883 -2.868 9.499 1.00 0.00 C ATOM 163 CG PRO A 450 -2.059 -1.972 10.424 1.00 0.00 C ATOM 164 CD PRO A 450 -0.667 -1.975 9.795 1.00 0.00 C ATOM 0 HA PRO A 450 -2.373 -3.537 7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.939 -2.598 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.818 -3.916 9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.472 -0.964 10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.038 -2.361 11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.157 -1.026 9.961 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.040 -2.754 10.228 1.00 0.00 H new ATOM 172 N TRP A 451 -3.720 -1.772 6.352 1.00 0.00 N ATOM 173 CA TRP A 451 -4.395 -0.739 5.578 1.00 0.00 C ATOM 174 C TRP A 451 -5.238 0.065 6.565 1.00 0.00 C ATOM 175 O TRP A 451 -5.952 -0.530 7.382 1.00 0.00 O ATOM 176 CB TRP A 451 -5.289 -1.368 4.507 1.00 0.00 C ATOM 177 CG TRP A 451 -4.612 -1.903 3.284 1.00 0.00 C ATOM 178 CD1 TRP A 451 -4.550 -3.198 2.918 1.00 0.00 C ATOM 179 CD2 TRP A 451 -3.955 -1.171 2.213 1.00 0.00 C ATOM 180 NE1 TRP A 451 -3.899 -3.322 1.708 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.541 -2.093 1.208 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.665 0.185 1.997 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -2.871 -1.686 0.045 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.029 0.615 0.822 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.616 -0.315 -0.147 1.00 0.00 C ATOM 0 H TRP A 451 -3.930 -2.726 6.057 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.674 -0.103 5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -5.848 -2.182 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.017 -0.620 4.191 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -4.952 -4.021 3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -3.708 -4.210 1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.936 0.911 2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.556 -2.412 -0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.856 1.669 0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.104 0.021 -1.037 1.00 0.00 H new ATOM 196 N SER A 452 -5.141 1.390 6.520 1.00 0.00 N ATOM 197 CA SER A 452 -5.880 2.259 7.411 1.00 0.00 C ATOM 198 C SER A 452 -7.365 2.311 7.020 1.00 0.00 C ATOM 199 O SER A 452 -7.863 1.515 6.209 1.00 0.00 O ATOM 200 CB SER A 452 -5.174 3.622 7.415 1.00 0.00 C ATOM 201 OG SER A 452 -5.096 4.208 6.130 1.00 0.00 O ATOM 0 H SER A 452 -4.543 1.887 5.860 1.00 0.00 H new ATOM 0 HA SER A 452 -5.885 1.880 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.705 4.298 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.167 3.502 7.815 1.00 0.00 H new ATOM 0 HG SER A 452 -4.347 3.814 5.636 1.00 0.00 H new ATOM 207 N ALA A 453 -8.081 3.276 7.579 1.00 0.00 N ATOM 208 CA ALA A 453 -9.492 3.520 7.344 1.00 0.00 C ATOM 209 C ALA A 453 -9.710 3.777 5.851 1.00 0.00 C ATOM 210 O ALA A 453 -8.988 4.596 5.276 1.00 0.00 O ATOM 211 CB ALA A 453 -9.873 4.750 8.163 1.00 0.00 C ATOM 0 H ALA A 453 -7.673 3.939 8.238 1.00 0.00 H new ATOM 0 HA ALA A 453 -10.106 2.668 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.930 4.972 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.686 4.556 9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.275 5.602 7.839 1.00 0.00 H new ATOM 217 N CYS A 454 -10.636 3.059 5.202 1.00 0.00 N ATOM 218 CA CYS A 454 -10.901 3.263 3.779 1.00 0.00 C ATOM 219 C CYS A 454 -11.315 4.708 3.598 1.00 0.00 C ATOM 220 O CYS A 454 -12.274 5.146 4.234 1.00 0.00 O ATOM 221 CB CYS A 454 -11.999 2.344 3.236 1.00 0.00 C ATOM 222 SG CYS A 454 -12.574 2.789 1.579 1.00 0.00 S ATOM 0 H CYS A 454 -11.209 2.337 5.640 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.996 3.023 3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -11.626 1.320 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.846 2.362 3.921 1.00 0.00 H new ATOM 227 N SER A 455 -10.628 5.420 2.707 1.00 0.00 N ATOM 228 CA SER A 455 -10.937 6.822 2.452 1.00 0.00 C ATOM 229 C SER A 455 -12.409 7.023 2.071 1.00 0.00 C ATOM 230 O SER A 455 -12.965 8.074 2.395 1.00 0.00 O ATOM 231 CB SER A 455 -9.980 7.365 1.384 1.00 0.00 C ATOM 232 OG SER A 455 -10.206 8.718 1.063 1.00 0.00 O ATOM 0 H SER A 455 -9.857 5.049 2.152 1.00 0.00 H new ATOM 0 HA SER A 455 -10.789 7.390 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.954 7.249 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.078 6.764 0.480 1.00 0.00 H new ATOM 0 HG SER A 455 -9.564 9.004 0.380 1.00 0.00 H new ATOM 238 N SER A 456 -13.053 6.060 1.395 1.00 0.00 N ATOM 239 CA SER A 456 -14.442 6.226 0.997 1.00 0.00 C ATOM 240 C SER A 456 -15.378 6.087 2.184 1.00 0.00 C ATOM 241 O SER A 456 -15.430 5.038 2.829 1.00 0.00 O ATOM 242 CB SER A 456 -14.833 5.231 -0.090 1.00 0.00 C ATOM 243 OG SER A 456 -14.869 5.917 -1.312 1.00 0.00 O ATOM 0 H SER A 456 -12.633 5.172 1.119 1.00 0.00 H new ATOM 0 HA SER A 456 -14.538 7.234 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.115 4.412 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.806 4.790 0.129 1.00 0.00 H new ATOM 0 HG SER A 456 -15.389 5.400 -1.962 1.00 0.00 H new ATOM 249 N SER A 457 -16.118 7.152 2.475 1.00 0.00 N ATOM 250 CA SER A 457 -17.075 7.165 3.563 1.00 0.00 C ATOM 251 C SER A 457 -18.309 6.327 3.206 1.00 0.00 C ATOM 252 O SER A 457 -18.974 5.798 4.099 1.00 0.00 O ATOM 253 CB SER A 457 -17.534 8.613 3.769 1.00 0.00 C ATOM 254 OG SER A 457 -16.447 9.509 3.896 1.00 0.00 O ATOM 0 H SER A 457 -16.067 8.030 1.958 1.00 0.00 H new ATOM 0 HA SER A 457 -16.607 6.755 4.458 1.00 0.00 H new ATOM 0 HB2 SER A 457 -18.156 8.918 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 457 -18.156 8.671 4.662 1.00 0.00 H new ATOM 0 HG SER A 457 -16.787 10.419 4.024 1.00 0.00 H new ATOM 260 N THR A 458 -18.583 6.184 1.906 1.00 0.00 N ATOM 261 CA THR A 458 -19.734 5.484 1.335 1.00 0.00 C ATOM 262 C THR A 458 -19.311 4.464 0.282 1.00 0.00 C ATOM 263 O THR A 458 -18.115 4.300 0.040 1.00 0.00 O ATOM 264 CB THR A 458 -20.688 6.571 0.796 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.991 7.435 -0.088 1.00 0.00 O ATOM 266 CG2 THR A 458 -21.238 7.425 1.944 1.00 0.00 C ATOM 0 H THR A 458 -17.975 6.575 1.187 1.00 0.00 H new ATOM 0 HA THR A 458 -20.251 4.888 2.087 1.00 0.00 H new ATOM 0 HB THR A 458 -21.505 6.068 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.604 8.120 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.908 8.185 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.785 6.790 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.412 7.908 2.466 1.00 0.00 H new ATOM 274 N CYS A 459 -20.269 3.796 -0.366 1.00 0.00 N ATOM 275 CA CYS A 459 -20.028 2.779 -1.385 1.00 0.00 C ATOM 276 C CYS A 459 -19.211 3.269 -2.585 1.00 0.00 C ATOM 277 O CYS A 459 -18.802 2.448 -3.408 1.00 0.00 O ATOM 278 CB CYS A 459 -21.361 2.143 -1.815 1.00 0.00 C ATOM 279 SG CYS A 459 -21.289 0.539 -2.673 1.00 0.00 S ATOM 0 H CYS A 459 -21.261 3.955 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.399 2.017 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.978 2.021 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.876 2.850 -2.466 1.00 0.00 H new ATOM 0 HG CYS A 459 -22.494 0.147 -2.961 1.00 0.00 H new ATOM 284 N GLU A 460 -18.972 4.578 -2.709 1.00 0.00 N ATOM 285 CA GLU A 460 -18.174 5.092 -3.811 1.00 0.00 C ATOM 286 C GLU A 460 -16.788 4.457 -3.725 1.00 0.00 C ATOM 287 O GLU A 460 -16.275 4.168 -2.638 1.00 0.00 O ATOM 288 CB GLU A 460 -17.984 6.606 -3.736 1.00 0.00 C ATOM 289 CG GLU A 460 -19.243 7.419 -4.009 1.00 0.00 C ATOM 290 CD GLU A 460 -18.851 8.863 -4.310 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.678 9.669 -3.363 1.00 0.00 O ATOM 292 OE2 GLU A 460 -18.698 9.224 -5.500 1.00 0.00 O ATOM 0 H GLU A 460 -19.318 5.289 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.694 4.854 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.609 6.863 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.216 6.898 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -19.789 6.994 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -19.908 7.382 -3.147 1.00 0.00 H new ATOM 299 N LYS A 461 -16.139 4.277 -4.867 1.00 0.00 N ATOM 300 CA LYS A 461 -14.815 3.688 -4.886 1.00 0.00 C ATOM 301 C LYS A 461 -13.801 4.720 -4.447 1.00 0.00 C ATOM 302 O LYS A 461 -13.609 5.752 -5.102 1.00 0.00 O ATOM 303 CB LYS A 461 -14.453 3.187 -6.278 1.00 0.00 C ATOM 304 CG LYS A 461 -15.203 1.889 -6.601 1.00 0.00 C ATOM 305 CD LYS A 461 -14.432 0.665 -6.102 1.00 0.00 C ATOM 306 CE LYS A 461 -15.301 -0.588 -6.223 1.00 0.00 C ATOM 307 NZ LYS A 461 -14.466 -1.799 -6.200 1.00 0.00 N ATOM 0 H LYS A 461 -16.507 4.529 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.809 2.838 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -14.698 3.948 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.378 3.017 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.191 1.912 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.355 1.812 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.517 0.540 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.134 0.812 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -16.020 -0.619 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.874 -0.552 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -14.898 -2.530 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -13.516 -1.573 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.393 -2.152 -5.224 1.00 0.00 H new ATOM 321 N GLY A 462 -13.199 4.449 -3.308 1.00 0.00 N ATOM 322 CA GLY A 462 -12.176 5.227 -2.657 1.00 0.00 C ATOM 323 C GLY A 462 -10.910 4.408 -2.689 1.00 0.00 C ATOM 324 O GLY A 462 -10.763 3.498 -3.503 1.00 0.00 O ATOM 0 H GLY A 462 -13.434 3.612 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.032 6.179 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.461 5.456 -1.630 1.00 0.00 H new ATOM 328 N LYS A 463 -9.972 4.722 -1.800 1.00 0.00 N ATOM 329 CA LYS A 463 -8.700 4.012 -1.742 1.00 0.00 C ATOM 330 C LYS A 463 -8.117 4.077 -0.346 1.00 0.00 C ATOM 331 O LYS A 463 -8.387 4.999 0.426 1.00 0.00 O ATOM 332 CB LYS A 463 -7.721 4.528 -2.811 1.00 0.00 C ATOM 333 CG LYS A 463 -8.112 5.892 -3.384 1.00 0.00 C ATOM 334 CD LYS A 463 -7.011 6.511 -4.243 1.00 0.00 C ATOM 335 CE LYS A 463 -7.236 8.017 -4.419 1.00 0.00 C ATOM 336 NZ LYS A 463 -8.525 8.363 -5.049 1.00 0.00 N ATOM 0 H LYS A 463 -10.070 5.466 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.881 2.961 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.724 4.597 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.666 3.803 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -9.016 5.784 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.352 6.570 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.040 6.336 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.990 6.026 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.180 8.499 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.427 8.426 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -8.575 9.391 -5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.605 7.878 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -9.305 8.063 -4.430 1.00 0.00 H new ATOM 350 N ARG A 464 -7.363 3.041 -0.013 1.00 0.00 N ATOM 351 CA ARG A 464 -6.700 2.867 1.264 1.00 0.00 C ATOM 352 C ARG A 464 -5.294 3.434 1.194 1.00 0.00 C ATOM 353 O ARG A 464 -4.781 3.627 0.091 1.00 0.00 O ATOM 354 CB ARG A 464 -6.616 1.370 1.604 1.00 0.00 C ATOM 355 CG ARG A 464 -7.914 0.618 1.365 1.00 0.00 C ATOM 356 CD ARG A 464 -7.834 -0.766 1.991 1.00 0.00 C ATOM 357 NE ARG A 464 -8.708 -1.711 1.291 1.00 0.00 N ATOM 358 CZ ARG A 464 -9.983 -1.995 1.572 1.00 0.00 C ATOM 359 NH1 ARG A 464 -10.556 -1.552 2.687 1.00 0.00 N ATOM 360 NH2 ARG A 464 -10.671 -2.706 0.693 1.00 0.00 N ATOM 0 H ARG A 464 -7.191 2.267 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.270 3.389 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.827 0.914 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.329 1.259 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.749 1.172 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.103 0.532 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -6.805 -1.125 1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -8.120 -0.711 3.041 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.297 -2.208 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -10.021 -0.985 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -11.531 -1.779 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.226 -3.020 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -11.647 -2.940 0.878 1.00 0.00 H new ATOM 374 N MET A 465 -4.648 3.620 2.343 1.00 0.00 N ATOM 375 CA MET A 465 -3.293 4.131 2.445 1.00 0.00 C ATOM 376 C MET A 465 -2.541 3.219 3.411 1.00 0.00 C ATOM 377 O MET A 465 -3.114 2.752 4.401 1.00 0.00 O ATOM 378 CB MET A 465 -3.340 5.580 2.959 1.00 0.00 C ATOM 379 CG MET A 465 -1.949 6.222 3.065 1.00 0.00 C ATOM 380 SD MET A 465 -1.907 7.817 3.926 1.00 0.00 S ATOM 381 CE MET A 465 -2.800 8.897 2.774 1.00 0.00 C ATOM 0 H MET A 465 -5.068 3.413 3.249 1.00 0.00 H new ATOM 0 HA MET A 465 -2.786 4.139 1.480 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.960 6.177 2.291 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.818 5.597 3.938 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.284 5.530 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.550 6.358 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 465 -3.048 9.834 3.272 1.00 0.00 H new ATOM 0 HE2 MET A 465 -2.172 9.102 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 465 -3.717 8.405 2.450 1.00 0.00 H new ATOM 391 N ARG A 466 -1.284 2.901 3.100 1.00 0.00 N ATOM 392 CA ARG A 466 -0.431 2.080 3.947 1.00 0.00 C ATOM 393 C ARG A 466 1.006 2.481 3.680 1.00 0.00 C ATOM 394 O ARG A 466 1.308 3.081 2.643 1.00 0.00 O ATOM 395 CB ARG A 466 -0.636 0.574 3.711 1.00 0.00 C ATOM 396 CG ARG A 466 -0.078 0.075 2.374 1.00 0.00 C ATOM 397 CD ARG A 466 -0.271 -1.434 2.278 1.00 0.00 C ATOM 398 NE ARG A 466 0.209 -1.950 0.993 1.00 0.00 N ATOM 399 CZ ARG A 466 0.341 -3.234 0.659 1.00 0.00 C ATOM 400 NH1 ARG A 466 0.001 -4.219 1.481 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.821 -3.528 -0.535 1.00 0.00 N ATOM 0 H ARG A 466 -0.828 3.212 2.242 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.693 2.252 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.161 0.021 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.702 0.351 3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.586 0.571 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.980 0.324 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.263 -1.924 3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.327 -1.676 2.399 1.00 0.00 H new ATOM 0 HE ARG A 466 0.467 -1.261 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.376 -4.005 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.117 -5.190 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 466 1.081 -2.780 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.932 -4.503 -0.814 1.00 0.00 H new ATOM 415 N GLN A 467 1.897 2.119 4.588 1.00 0.00 N ATOM 416 CA GLN A 467 3.307 2.397 4.468 1.00 0.00 C ATOM 417 C GLN A 467 4.090 1.263 5.117 1.00 0.00 C ATOM 418 O GLN A 467 3.529 0.369 5.745 1.00 0.00 O ATOM 419 CB GLN A 467 3.651 3.795 5.010 1.00 0.00 C ATOM 420 CG GLN A 467 3.383 4.010 6.502 1.00 0.00 C ATOM 421 CD GLN A 467 3.639 5.472 6.851 1.00 0.00 C ATOM 422 OE1 GLN A 467 2.705 6.270 6.905 1.00 0.00 O ATOM 423 NE2 GLN A 467 4.886 5.869 7.042 1.00 0.00 N ATOM 0 H GLN A 467 1.651 1.616 5.440 1.00 0.00 H new ATOM 0 HA GLN A 467 3.599 2.432 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.706 3.991 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.081 4.534 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.354 3.741 6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 467 4.028 3.363 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 467 5.649 5.194 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 467 5.085 6.850 7.238 1.00 0.00 H new ATOM 432 N ARG A 468 5.399 1.258 4.946 1.00 0.00 N ATOM 433 CA ARG A 468 6.301 0.262 5.521 1.00 0.00 C ATOM 434 C ARG A 468 7.636 0.926 5.805 1.00 0.00 C ATOM 435 O ARG A 468 7.803 2.110 5.524 1.00 0.00 O ATOM 436 CB ARG A 468 6.439 -0.953 4.587 1.00 0.00 C ATOM 437 CG ARG A 468 7.031 -0.603 3.218 1.00 0.00 C ATOM 438 CD ARG A 468 7.023 -1.827 2.306 1.00 0.00 C ATOM 439 NE ARG A 468 7.470 -1.487 0.947 1.00 0.00 N ATOM 440 CZ ARG A 468 7.512 -2.320 -0.097 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.175 -3.598 0.049 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.897 -1.849 -1.277 1.00 0.00 N ATOM 0 H ARG A 468 5.883 1.963 4.390 1.00 0.00 H new ATOM 0 HA ARG A 468 5.895 -0.118 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.070 -1.701 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.458 -1.407 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.456 0.202 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 468 8.051 -0.238 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.673 -2.597 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 468 6.018 -2.246 2.266 1.00 0.00 H new ATOM 0 HE ARG A 468 7.776 -0.527 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.882 -3.947 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.209 -4.229 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 468 8.154 -0.867 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.936 -2.469 -2.086 1.00 0.00 H new ATOM 456 N MET A 469 8.578 0.183 6.371 1.00 0.00 N ATOM 457 CA MET A 469 9.916 0.667 6.669 1.00 0.00 C ATOM 458 C MET A 469 10.869 -0.202 5.866 1.00 0.00 C ATOM 459 O MET A 469 10.533 -1.319 5.456 1.00 0.00 O ATOM 460 CB MET A 469 10.222 0.607 8.170 1.00 0.00 C ATOM 461 CG MET A 469 9.446 1.681 8.931 1.00 0.00 C ATOM 462 SD MET A 469 9.781 1.693 10.711 1.00 0.00 S ATOM 463 CE MET A 469 8.078 1.698 11.324 1.00 0.00 C ATOM 0 H MET A 469 8.429 -0.790 6.640 1.00 0.00 H new ATOM 0 HA MET A 469 10.020 1.717 6.396 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.963 -0.378 8.558 1.00 0.00 H new ATOM 0 HB3 MET A 469 11.291 0.742 8.332 1.00 0.00 H new ATOM 0 HG2 MET A 469 9.693 2.658 8.517 1.00 0.00 H new ATOM 0 HG3 MET A 469 8.379 1.528 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 469 8.084 1.705 12.414 1.00 0.00 H new ATOM 0 HE2 MET A 469 7.562 2.586 10.958 1.00 0.00 H new ATOM 0 HE3 MET A 469 7.561 0.806 10.970 1.00 0.00 H new ATOM 473 N LEU A 470 12.046 0.333 5.588 1.00 0.00 N ATOM 474 CA LEU A 470 13.091 -0.338 4.848 1.00 0.00 C ATOM 475 C LEU A 470 13.871 -1.220 5.820 1.00 0.00 C ATOM 476 O LEU A 470 14.065 -0.838 6.977 1.00 0.00 O ATOM 477 CB LEU A 470 13.972 0.739 4.170 1.00 0.00 C ATOM 478 CG LEU A 470 14.720 0.259 2.913 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.892 -0.658 3.264 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.700 -0.374 1.962 1.00 0.00 C ATOM 0 H LEU A 470 12.304 1.275 5.882 1.00 0.00 H new ATOM 0 HA LEU A 470 12.696 -0.982 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.343 1.587 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.701 1.101 4.894 1.00 0.00 H new ATOM 0 HG LEU A 470 15.184 1.103 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.393 -0.974 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.598 -0.120 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.522 -1.534 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.208 -0.722 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.217 -1.218 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 470 12.948 0.366 1.690 1.00 0.00 H new ATOM 492 N LYS A 471 14.263 -2.423 5.387 1.00 0.00 N ATOM 493 CA LYS A 471 15.036 -3.355 6.206 1.00 0.00 C ATOM 494 C LYS A 471 16.474 -3.333 5.711 1.00 0.00 C ATOM 495 O LYS A 471 17.363 -2.979 6.481 1.00 0.00 O ATOM 496 CB LYS A 471 14.406 -4.757 6.219 1.00 0.00 C ATOM 497 CG LYS A 471 13.144 -4.739 7.087 1.00 0.00 C ATOM 498 CD LYS A 471 12.505 -6.122 7.266 1.00 0.00 C ATOM 499 CE LYS A 471 13.266 -7.055 8.209 1.00 0.00 C ATOM 500 NZ LYS A 471 13.277 -6.562 9.601 1.00 0.00 N ATOM 0 H LYS A 471 14.051 -2.776 4.454 1.00 0.00 H new ATOM 0 HA LYS A 471 15.028 -3.045 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.158 -5.066 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.118 -5.484 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.393 -4.333 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.414 -4.065 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 471 11.490 -5.993 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 471 12.424 -6.600 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 471 12.811 -8.045 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 471 14.292 -7.165 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 13.652 -7.302 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.878 -5.716 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.308 -6.321 9.892 1.00 0.00 H new ATOM 514 N ALA A 472 16.724 -3.691 4.451 1.00 0.00 N ATOM 515 CA ALA A 472 18.061 -3.695 3.869 1.00 0.00 C ATOM 516 C ALA A 472 17.961 -3.392 2.387 1.00 0.00 C ATOM 517 O ALA A 472 16.988 -3.771 1.746 1.00 0.00 O ATOM 518 CB ALA A 472 18.694 -5.073 4.057 1.00 0.00 C ATOM 0 H ALA A 472 15.995 -3.989 3.802 1.00 0.00 H new ATOM 0 HA ALA A 472 18.675 -2.940 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.693 -5.077 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.760 -5.301 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.080 -5.826 3.562 1.00 0.00 H new ATOM 524 N GLN A 473 18.945 -2.706 1.821 1.00 0.00 N ATOM 525 CA GLN A 473 18.988 -2.354 0.407 1.00 0.00 C ATOM 526 C GLN A 473 20.294 -2.919 -0.137 1.00 0.00 C ATOM 527 O GLN A 473 21.323 -2.894 0.553 1.00 0.00 O ATOM 528 CB GLN A 473 18.794 -0.832 0.225 1.00 0.00 C ATOM 529 CG GLN A 473 19.952 0.007 0.765 1.00 0.00 C ATOM 530 CD GLN A 473 19.526 1.463 0.925 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.031 1.859 1.978 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.654 2.281 -0.098 1.00 0.00 N ATOM 0 H GLN A 473 19.754 -2.371 2.344 1.00 0.00 H new ATOM 0 HA GLN A 473 18.171 -2.788 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.665 -0.616 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.874 -0.530 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.280 -0.390 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.803 -0.057 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 473 20.066 1.947 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.342 3.249 -0.019 1.00 0.00 H new ATOM 541 N LEU A 474 20.240 -3.490 -1.339 1.00 0.00 N ATOM 542 CA LEU A 474 21.416 -4.064 -1.973 1.00 0.00 C ATOM 543 C LEU A 474 22.364 -2.957 -2.438 1.00 0.00 C ATOM 544 O LEU A 474 23.557 -3.220 -2.560 1.00 0.00 O ATOM 545 CB LEU A 474 21.031 -4.992 -3.131 1.00 0.00 C ATOM 546 CG LEU A 474 20.579 -6.399 -2.677 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.225 -6.466 -1.957 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.549 -7.323 -3.895 1.00 0.00 C ATOM 0 H LEU A 474 19.387 -3.565 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 474 21.938 -4.672 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.227 -4.529 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.884 -5.093 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 474 21.310 -6.713 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.009 -7.499 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.261 -5.853 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.442 -6.094 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.231 -8.320 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.849 -6.930 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.545 -7.379 -4.334 1.00 0.00 H new ATOM 560 N ASP A 475 21.863 -1.738 -2.658 1.00 0.00 N ATOM 561 CA ASP A 475 22.654 -0.590 -3.083 1.00 0.00 C ATOM 562 C ASP A 475 22.342 0.545 -2.122 1.00 0.00 C ATOM 563 O ASP A 475 21.253 1.115 -2.141 1.00 0.00 O ATOM 564 CB ASP A 475 22.392 -0.179 -4.535 1.00 0.00 C ATOM 565 CG ASP A 475 23.319 0.974 -4.952 1.00 0.00 C ATOM 566 OD1 ASP A 475 24.023 1.565 -4.106 1.00 0.00 O ATOM 567 OD2 ASP A 475 23.473 1.205 -6.172 1.00 0.00 O ATOM 0 H ASP A 475 20.873 -1.522 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 475 23.712 -0.852 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.548 -1.034 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.352 0.125 -4.649 1.00 0.00 H new ATOM 572 N LEU A 476 23.279 0.835 -1.225 1.00 0.00 N ATOM 573 CA LEU A 476 23.156 1.881 -0.217 1.00 0.00 C ATOM 574 C LEU A 476 23.067 3.280 -0.831 1.00 0.00 C ATOM 575 O LEU A 476 22.535 4.196 -0.194 1.00 0.00 O ATOM 576 CB LEU A 476 24.355 1.797 0.739 1.00 0.00 C ATOM 577 CG LEU A 476 24.260 0.716 1.833 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.158 1.049 2.843 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.074 -0.712 1.303 1.00 0.00 C ATOM 0 H LEU A 476 24.167 0.336 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 476 22.225 1.717 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.254 1.615 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.481 2.766 1.221 1.00 0.00 H new ATOM 0 HG LEU A 476 25.232 0.731 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.114 0.269 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.376 2.006 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.199 1.109 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 476 24.017 -1.407 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.153 -0.768 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.919 -0.978 0.668 1.00 0.00 H new ATOM 591 N SER A 477 23.576 3.466 -2.043 1.00 0.00 N ATOM 592 CA SER A 477 23.579 4.735 -2.752 1.00 0.00 C ATOM 593 C SER A 477 22.286 4.998 -3.513 1.00 0.00 C ATOM 594 O SER A 477 22.087 6.106 -4.017 1.00 0.00 O ATOM 595 CB SER A 477 24.780 4.752 -3.693 1.00 0.00 C ATOM 596 OG SER A 477 25.955 4.469 -2.957 1.00 0.00 O ATOM 0 H SER A 477 24.011 2.712 -2.574 1.00 0.00 H new ATOM 0 HA SER A 477 23.653 5.538 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.647 4.015 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.865 5.726 -4.175 1.00 0.00 H new ATOM 0 HG SER A 477 26.728 4.477 -3.559 1.00 0.00 H new ATOM 602 N VAL A 478 21.381 4.027 -3.575 1.00 0.00 N ATOM 603 CA VAL A 478 20.113 4.134 -4.267 1.00 0.00 C ATOM 604 C VAL A 478 19.044 3.826 -3.224 1.00 0.00 C ATOM 605 O VAL A 478 18.865 2.664 -2.862 1.00 0.00 O ATOM 606 CB VAL A 478 20.123 3.172 -5.463 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.740 3.073 -6.114 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.115 3.645 -6.536 1.00 0.00 C ATOM 0 H VAL A 478 21.519 3.119 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 478 19.915 5.121 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 478 20.418 2.196 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.783 2.384 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.019 2.707 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.432 4.058 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.105 2.948 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.827 4.637 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.118 3.687 -6.111 1.00 0.00 H new ATOM 618 N PRO A 479 18.361 4.837 -2.665 1.00 0.00 N ATOM 619 CA PRO A 479 17.343 4.578 -1.671 1.00 0.00 C ATOM 620 C PRO A 479 16.139 3.893 -2.302 1.00 0.00 C ATOM 621 O PRO A 479 15.956 3.867 -3.527 1.00 0.00 O ATOM 622 CB PRO A 479 16.949 5.940 -1.100 1.00 0.00 C ATOM 623 CG PRO A 479 17.208 6.874 -2.280 1.00 0.00 C ATOM 624 CD PRO A 479 18.437 6.259 -2.959 1.00 0.00 C ATOM 0 HA PRO A 479 17.713 3.913 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.906 5.963 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.551 6.206 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.354 6.914 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.401 7.895 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.426 6.440 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.359 6.693 -2.572 1.00 0.00 H new ATOM 632 N CYS A 480 15.273 3.409 -1.425 1.00 0.00 N ATOM 633 CA CYS A 480 14.049 2.727 -1.764 1.00 0.00 C ATOM 634 C CYS A 480 12.908 3.584 -1.203 1.00 0.00 C ATOM 635 O CYS A 480 12.481 3.378 -0.064 1.00 0.00 O ATOM 636 CB CYS A 480 14.121 1.296 -1.237 1.00 0.00 C ATOM 637 SG CYS A 480 15.636 0.370 -1.660 1.00 0.00 S ATOM 0 H CYS A 480 15.417 3.488 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 480 13.877 2.620 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.025 1.323 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.262 0.744 -1.619 1.00 0.00 H new ATOM 642 N PRO A 481 12.436 4.589 -1.965 1.00 0.00 N ATOM 643 CA PRO A 481 11.359 5.485 -1.546 1.00 0.00 C ATOM 644 C PRO A 481 10.005 4.778 -1.443 1.00 0.00 C ATOM 645 O PRO A 481 9.128 5.291 -0.745 1.00 0.00 O ATOM 646 CB PRO A 481 11.322 6.590 -2.608 1.00 0.00 C ATOM 647 CG PRO A 481 11.800 5.856 -3.859 1.00 0.00 C ATOM 648 CD PRO A 481 12.869 4.926 -3.314 1.00 0.00 C ATOM 0 HA PRO A 481 11.548 5.873 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.320 6.999 -2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.976 7.423 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.991 5.305 -4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.203 6.544 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.964 4.032 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.845 5.412 -3.304 1.00 0.00 H new ATOM 656 N ASP A 482 9.878 3.602 -2.072 1.00 0.00 N ATOM 657 CA ASP A 482 8.771 2.653 -2.219 1.00 0.00 C ATOM 658 C ASP A 482 8.343 2.072 -0.873 1.00 0.00 C ATOM 659 O ASP A 482 8.312 0.860 -0.639 1.00 0.00 O ATOM 660 CB ASP A 482 9.165 1.552 -3.213 1.00 0.00 C ATOM 661 CG ASP A 482 9.744 2.125 -4.503 1.00 0.00 C ATOM 662 OD1 ASP A 482 9.014 2.816 -5.247 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.979 2.015 -4.702 1.00 0.00 O ATOM 0 H ASP A 482 10.690 3.239 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 482 7.906 3.185 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.897 0.891 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.290 0.945 -3.447 1.00 0.00 H new ATOM 668 N THR A 483 8.052 2.966 0.052 1.00 0.00 N ATOM 669 CA THR A 483 7.645 2.700 1.408 1.00 0.00 C ATOM 670 C THR A 483 6.179 3.075 1.612 1.00 0.00 C ATOM 671 O THR A 483 5.692 2.865 2.713 1.00 0.00 O ATOM 672 CB THR A 483 8.644 3.349 2.390 1.00 0.00 C ATOM 673 OG1 THR A 483 8.994 4.676 2.026 1.00 0.00 O ATOM 674 CG2 THR A 483 9.943 2.541 2.468 1.00 0.00 C ATOM 0 H THR A 483 8.099 3.966 -0.144 1.00 0.00 H new ATOM 0 HA THR A 483 7.683 1.632 1.623 1.00 0.00 H new ATOM 0 HB THR A 483 8.132 3.364 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.131 4.724 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.628 3.021 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.723 1.530 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.403 2.496 1.481 1.00 0.00 H new ATOM 682 N GLN A 484 5.462 3.566 0.595 1.00 0.00 N ATOM 683 CA GLN A 484 4.038 3.924 0.699 1.00 0.00 C ATOM 684 C GLN A 484 3.254 3.305 -0.461 1.00 0.00 C ATOM 685 O GLN A 484 3.762 3.218 -1.581 1.00 0.00 O ATOM 686 CB GLN A 484 3.825 5.444 0.822 1.00 0.00 C ATOM 687 CG GLN A 484 4.504 6.289 -0.265 1.00 0.00 C ATOM 688 CD GLN A 484 4.375 7.779 0.008 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.642 8.496 -0.674 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.069 8.291 1.008 1.00 0.00 N ATOM 0 H GLN A 484 5.855 3.728 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 484 3.646 3.504 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.754 5.648 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.193 5.769 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.559 6.022 -0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.060 6.058 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 484 5.674 7.691 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 484 5.000 9.286 1.220 1.00 0.00 H new ATOM 699 N ASP A 485 2.020 2.868 -0.209 1.00 0.00 N ATOM 700 CA ASP A 485 1.170 2.245 -1.235 1.00 0.00 C ATOM 701 C ASP A 485 -0.310 2.583 -1.033 1.00 0.00 C ATOM 702 O ASP A 485 -0.715 2.915 0.083 1.00 0.00 O ATOM 703 CB ASP A 485 1.419 0.737 -1.194 1.00 0.00 C ATOM 704 CG ASP A 485 0.803 -0.060 -2.337 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.518 0.479 -3.431 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.601 -1.278 -2.138 1.00 0.00 O ATOM 0 H ASP A 485 1.578 2.934 0.708 1.00 0.00 H new ATOM 0 HA ASP A 485 1.429 2.638 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.495 0.564 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.032 0.348 -0.252 1.00 0.00 H new ATOM 711 N PHE A 486 -1.113 2.487 -2.102 1.00 0.00 N ATOM 712 CA PHE A 486 -2.542 2.789 -2.135 1.00 0.00 C ATOM 713 C PHE A 486 -3.280 1.834 -3.075 1.00 0.00 C ATOM 714 O PHE A 486 -2.819 1.629 -4.195 1.00 0.00 O ATOM 715 CB PHE A 486 -2.756 4.214 -2.679 1.00 0.00 C ATOM 716 CG PHE A 486 -2.216 5.349 -1.830 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.837 5.643 -1.816 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.106 6.137 -1.077 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.337 6.675 -1.003 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.613 7.205 -0.311 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.229 7.463 -0.258 1.00 0.00 C ATOM 0 H PHE A 486 -0.761 2.181 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.925 2.688 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.295 4.276 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.826 4.370 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.160 5.071 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.164 5.921 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.726 6.860 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.298 7.832 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.854 8.268 0.356 1.00 0.00 H new ATOM 731 N GLN A 487 -4.405 1.249 -2.655 1.00 0.00 N ATOM 732 CA GLN A 487 -5.249 0.335 -3.446 1.00 0.00 C ATOM 733 C GLN A 487 -6.713 0.757 -3.251 1.00 0.00 C ATOM 734 O GLN A 487 -7.013 1.363 -2.219 1.00 0.00 O ATOM 735 CB GLN A 487 -5.043 -1.145 -3.053 1.00 0.00 C ATOM 736 CG GLN A 487 -4.191 -1.947 -4.058 1.00 0.00 C ATOM 737 CD GLN A 487 -2.784 -1.398 -4.276 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.378 -1.055 -5.387 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.010 -1.292 -3.215 1.00 0.00 N ATOM 0 H GLN A 487 -4.772 1.403 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.966 0.407 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.567 -1.187 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.017 -1.623 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.115 -2.977 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.710 -1.972 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.357 -1.579 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.064 -0.923 -3.309 1.00 0.00 H new ATOM 748 N PRO A 488 -7.633 0.430 -4.175 1.00 0.00 N ATOM 749 CA PRO A 488 -9.034 0.819 -4.064 1.00 0.00 C ATOM 750 C PRO A 488 -9.768 0.181 -2.888 1.00 0.00 C ATOM 751 O PRO A 488 -9.382 -0.881 -2.387 1.00 0.00 O ATOM 752 CB PRO A 488 -9.696 0.412 -5.383 1.00 0.00 C ATOM 753 CG PRO A 488 -8.789 -0.685 -5.933 1.00 0.00 C ATOM 754 CD PRO A 488 -7.407 -0.285 -5.423 1.00 0.00 C ATOM 0 HA PRO A 488 -9.087 1.891 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.711 0.047 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.765 1.255 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.083 -1.670 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.820 -0.725 -7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.781 -1.163 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.891 0.346 -6.147 1.00 0.00 H new ATOM 762 N CYS A 489 -10.837 0.847 -2.451 1.00 0.00 N ATOM 763 CA CYS A 489 -11.707 0.398 -1.363 1.00 0.00 C ATOM 764 C CYS A 489 -13.075 1.067 -1.460 1.00 0.00 C ATOM 765 O CYS A 489 -13.283 1.903 -2.334 1.00 0.00 O ATOM 766 CB CYS A 489 -11.058 0.723 -0.019 1.00 0.00 C ATOM 767 SG CYS A 489 -10.936 2.474 0.423 1.00 0.00 S ATOM 0 H CYS A 489 -11.130 1.737 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.845 -0.680 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -11.621 0.213 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.053 0.300 -0.015 1.00 0.00 H new ATOM 772 N MET A 490 -14.001 0.734 -0.563 1.00 0.00 N ATOM 773 CA MET A 490 -15.341 1.299 -0.495 1.00 0.00 C ATOM 774 C MET A 490 -15.762 1.378 0.972 1.00 0.00 C ATOM 775 O MET A 490 -15.192 0.709 1.846 1.00 0.00 O ATOM 776 CB MET A 490 -16.386 0.475 -1.263 1.00 0.00 C ATOM 777 CG MET A 490 -15.953 -0.060 -2.629 1.00 0.00 C ATOM 778 SD MET A 490 -14.975 -1.592 -2.580 1.00 0.00 S ATOM 779 CE MET A 490 -16.260 -2.769 -2.062 1.00 0.00 C ATOM 0 H MET A 490 -13.829 0.037 0.162 1.00 0.00 H new ATOM 0 HA MET A 490 -15.301 2.283 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.680 -0.371 -0.641 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.274 1.092 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.843 -0.234 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.370 0.709 -3.135 1.00 0.00 H new ATOM 0 HE1 MET A 490 -15.926 -3.786 -2.268 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.446 -2.658 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.179 -2.570 -2.613 1.00 0.00 H new ATOM 789 N GLY A 491 -16.797 2.167 1.225 1.00 0.00 N ATOM 790 CA GLY A 491 -17.371 2.385 2.548 1.00 0.00 C ATOM 791 C GLY A 491 -18.020 1.126 3.141 1.00 0.00 C ATOM 792 O GLY A 491 -18.104 0.088 2.475 1.00 0.00 O ATOM 0 H GLY A 491 -17.276 2.690 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.590 2.735 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -18.118 3.177 2.487 1.00 0.00 H new