USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 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 482 TYR OH : rot 180:sc= -0.394 USER MOD Set 1.2: A 513 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 475 THR OG1 : rot -71:sc= 0.626 USER MOD Set 2.2: A 491 LYS NZ :NH3+ 169:sc= 0.673 (180deg=0) USER MOD Set 3.1: A 467 LYS NZ :NH3+ 178:sc= 0.335 (180deg=0) USER MOD Set 3.2: A 468 TYR OH : rot 180:sc= 0.311 USER MOD Set 4.1: A 461 LYS NZ :NH3+ -124:sc= 0.381 (180deg=0) USER MOD Set 4.2: A 466 HIS : no HD1:sc= -0.0589 K(o=0.32,f=-1.2) USER MOD Set 5.1: A 455 ASN : amide:sc= -0.139 X(o=-0.86,f=-1.3) USER MOD Set 5.2: A 458 MET CE :methyl -174:sc= -0.722 (180deg=-0.983) USER MOD Single : A 443 MET CE :methyl 175:sc= 0 (180deg=-0.0267) USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 448 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 165:sc= 0.93 (180deg=0.815) USER MOD Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 469 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 487 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 501 LYS NZ :NH3+ -111:sc= 1.14 (180deg=-0.141) USER MOD Single : A 504 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 SER OG : rot 180:sc= 0 USER MOD Single : A 523 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 443 6.148 -3.948 13.923 1.00 0.00 N ATOM 2 CA MET A 443 5.979 -5.226 13.173 1.00 0.00 C ATOM 3 C MET A 443 5.399 -4.962 11.778 1.00 0.00 C ATOM 4 O MET A 443 4.541 -4.087 11.641 1.00 0.00 O ATOM 5 CB MET A 443 5.073 -6.233 13.916 1.00 0.00 C ATOM 6 CG MET A 443 5.693 -6.797 15.201 1.00 0.00 C ATOM 7 SD MET A 443 4.696 -8.086 16.008 1.00 0.00 S ATOM 8 CE MET A 443 4.999 -9.494 14.899 1.00 0.00 C ATOM 0 HA MET A 443 6.972 -5.666 13.086 1.00 0.00 H new ATOM 0 HB2 MET A 443 4.130 -5.745 14.163 1.00 0.00 H new ATOM 0 HB3 MET A 443 4.838 -7.059 13.245 1.00 0.00 H new ATOM 0 HG2 MET A 443 6.676 -7.207 14.967 1.00 0.00 H new ATOM 0 HG3 MET A 443 5.848 -5.980 15.905 1.00 0.00 H new ATOM 0 HE1 MET A 443 4.527 -10.387 15.308 1.00 0.00 H new ATOM 0 HE2 MET A 443 4.580 -9.280 13.916 1.00 0.00 H new ATOM 0 HE3 MET A 443 6.072 -9.661 14.807 1.00 0.00 H new ATOM 18 N PRO A 444 5.809 -5.718 10.737 1.00 0.00 N ATOM 19 CA PRO A 444 5.339 -5.523 9.358 1.00 0.00 C ATOM 20 C PRO A 444 3.887 -5.974 9.106 1.00 0.00 C ATOM 21 O PRO A 444 3.310 -5.597 8.088 1.00 0.00 O ATOM 22 CB PRO A 444 6.324 -6.312 8.487 1.00 0.00 C ATOM 23 CG PRO A 444 6.770 -7.448 9.406 1.00 0.00 C ATOM 24 CD PRO A 444 6.814 -6.778 10.778 1.00 0.00 C ATOM 0 HA PRO A 444 5.316 -4.459 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 444 5.848 -6.689 7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 444 7.166 -5.695 8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 444 6.069 -8.283 9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 444 7.744 -7.843 9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 444 6.595 -7.494 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 444 7.804 -6.370 10.982 1.00 0.00 H new ATOM 32 N LYS A 445 3.266 -6.737 10.020 1.00 0.00 N ATOM 33 CA LYS A 445 1.894 -7.270 9.899 1.00 0.00 C ATOM 34 C LYS A 445 0.832 -6.254 9.509 1.00 0.00 C ATOM 35 O LYS A 445 0.012 -6.549 8.643 1.00 0.00 O ATOM 36 CB LYS A 445 1.520 -8.104 11.137 1.00 0.00 C ATOM 37 CG LYS A 445 1.414 -7.295 12.442 1.00 0.00 C ATOM 38 CD LYS A 445 1.171 -8.221 13.642 1.00 0.00 C ATOM 39 CE LYS A 445 1.069 -7.404 14.936 1.00 0.00 C ATOM 40 NZ LYS A 445 0.845 -8.278 16.118 1.00 0.00 N ATOM 0 H LYS A 445 3.717 -7.010 10.893 1.00 0.00 H new ATOM 0 HA LYS A 445 1.911 -7.937 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.566 -8.598 10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 445 2.265 -8.888 11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 445 2.330 -6.725 12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 445 0.600 -6.574 12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.254 -8.790 13.490 1.00 0.00 H new ATOM 0 HD3 LYS A 445 1.984 -8.943 13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 445 1.984 -6.828 15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 445 0.251 -6.688 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 0.781 -7.693 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -0.041 -8.809 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 1.638 -8.944 16.212 1.00 0.00 H new ATOM 54 N SER A 446 0.895 -5.028 10.025 1.00 0.00 N ATOM 55 CA SER A 446 -0.112 -4.023 9.671 1.00 0.00 C ATOM 56 C SER A 446 0.031 -3.445 8.248 1.00 0.00 C ATOM 57 O SER A 446 -0.801 -2.661 7.796 1.00 0.00 O ATOM 58 CB SER A 446 -0.141 -2.885 10.700 1.00 0.00 C ATOM 59 OG SER A 446 -0.299 -3.404 12.013 1.00 0.00 O ATOM 0 H SER A 446 1.614 -4.709 10.675 1.00 0.00 H new ATOM 0 HA SER A 446 -1.060 -4.560 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 446 0.782 -2.309 10.639 1.00 0.00 H new ATOM 0 HB3 SER A 446 -0.959 -2.202 10.472 1.00 0.00 H new ATOM 0 HG SER A 446 -0.314 -2.666 12.657 1.00 0.00 H new ATOM 65 N LEU A 447 1.054 -3.860 7.502 1.00 0.00 N ATOM 66 CA LEU A 447 1.253 -3.582 6.088 1.00 0.00 C ATOM 67 C LEU A 447 0.813 -4.773 5.208 1.00 0.00 C ATOM 68 O LEU A 447 0.836 -4.671 3.984 1.00 0.00 O ATOM 69 CB LEU A 447 2.744 -3.245 5.934 1.00 0.00 C ATOM 70 CG LEU A 447 3.130 -2.472 4.673 1.00 0.00 C ATOM 71 CD1 LEU A 447 2.656 -1.021 4.726 1.00 0.00 C ATOM 72 CD2 LEU A 447 4.652 -2.445 4.573 1.00 0.00 C ATOM 0 H LEU A 447 1.804 -4.430 7.893 1.00 0.00 H new ATOM 0 HA LEU A 447 0.637 -2.749 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 447 3.056 -2.664 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 447 3.310 -4.176 5.953 1.00 0.00 H new ATOM 0 HG LEU A 447 2.664 -2.967 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 447 2.951 -0.508 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 447 1.571 -0.996 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 447 3.108 -0.522 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 447 4.948 -1.897 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 447 5.066 -1.953 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 447 5.031 -3.465 4.516 1.00 0.00 H new ATOM 84 N THR A 448 0.402 -5.898 5.806 1.00 0.00 N ATOM 85 CA THR A 448 0.149 -7.187 5.135 1.00 0.00 C ATOM 86 C THR A 448 -1.062 -7.954 5.719 1.00 0.00 C ATOM 87 O THR A 448 -1.223 -9.150 5.479 1.00 0.00 O ATOM 88 CB THR A 448 1.424 -8.062 5.133 1.00 0.00 C ATOM 89 OG1 THR A 448 1.748 -8.482 6.441 1.00 0.00 O ATOM 90 CG2 THR A 448 2.661 -7.314 4.602 1.00 0.00 C ATOM 0 H THR A 448 0.229 -5.941 6.810 1.00 0.00 H new ATOM 0 HA THR A 448 -0.116 -6.954 4.104 1.00 0.00 H new ATOM 0 HB THR A 448 1.191 -8.904 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 448 2.556 -9.035 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 448 3.525 -7.978 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 448 2.478 -6.990 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 448 2.856 -6.443 5.228 1.00 0.00 H new ATOM 98 N ASP A 449 -1.945 -7.285 6.473 1.00 0.00 N ATOM 99 CA ASP A 449 -3.149 -7.855 7.099 1.00 0.00 C ATOM 100 C ASP A 449 -4.412 -7.535 6.277 1.00 0.00 C ATOM 101 O ASP A 449 -4.637 -6.363 5.978 1.00 0.00 O ATOM 102 CB ASP A 449 -3.341 -7.270 8.510 1.00 0.00 C ATOM 103 CG ASP A 449 -2.806 -8.158 9.647 1.00 0.00 C ATOM 104 OD1 ASP A 449 -3.138 -9.367 9.661 1.00 0.00 O ATOM 105 OD2 ASP A 449 -2.171 -7.633 10.590 1.00 0.00 O ATOM 0 H ASP A 449 -1.837 -6.291 6.672 1.00 0.00 H new ATOM 0 HA ASP A 449 -3.009 -8.935 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 449 -2.844 -6.301 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 449 -4.404 -7.092 8.674 1.00 0.00 H new ATOM 110 N PRO A 450 -5.309 -8.505 6.007 1.00 0.00 N ATOM 111 CA PRO A 450 -6.573 -8.325 5.269 1.00 0.00 C ATOM 112 C PRO A 450 -7.368 -7.084 5.699 1.00 0.00 C ATOM 113 O PRO A 450 -7.810 -6.285 4.874 1.00 0.00 O ATOM 114 CB PRO A 450 -7.385 -9.603 5.537 1.00 0.00 C ATOM 115 CG PRO A 450 -6.318 -10.643 5.846 1.00 0.00 C ATOM 116 CD PRO A 450 -5.222 -9.852 6.533 1.00 0.00 C ATOM 0 HA PRO A 450 -6.364 -8.165 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -8.073 -9.474 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -7.984 -9.887 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -6.705 -11.432 6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -5.954 -11.123 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -5.357 -9.858 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -4.243 -10.287 6.332 1.00 0.00 H new ATOM 124 N LYS A 451 -7.506 -6.912 7.019 1.00 0.00 N ATOM 125 CA LYS A 451 -8.244 -5.838 7.701 1.00 0.00 C ATOM 126 C LYS A 451 -7.641 -4.435 7.519 1.00 0.00 C ATOM 127 O LYS A 451 -8.359 -3.445 7.635 1.00 0.00 O ATOM 128 CB LYS A 451 -8.415 -6.235 9.181 1.00 0.00 C ATOM 129 CG LYS A 451 -7.095 -6.299 9.972 1.00 0.00 C ATOM 130 CD LYS A 451 -6.922 -7.529 10.875 1.00 0.00 C ATOM 131 CE LYS A 451 -6.448 -8.742 10.064 1.00 0.00 C ATOM 132 NZ LYS A 451 -6.108 -9.893 10.943 1.00 0.00 N ATOM 0 H LYS A 451 -7.079 -7.559 7.682 1.00 0.00 H new ATOM 0 HA LYS A 451 -9.222 -5.744 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -9.081 -5.519 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -8.903 -7.208 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -6.266 -6.271 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -7.018 -5.404 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -6.201 -7.309 11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -7.868 -7.761 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -7.228 -9.038 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -5.575 -8.466 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -5.792 -10.694 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -5.346 -9.618 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -6.948 -10.173 11.489 1.00 0.00 H new ATOM 146 N LEU A 452 -6.349 -4.332 7.191 1.00 0.00 N ATOM 147 CA LEU A 452 -5.683 -3.089 6.770 1.00 0.00 C ATOM 148 C LEU A 452 -5.718 -2.993 5.242 1.00 0.00 C ATOM 149 O LEU A 452 -6.063 -1.955 4.698 1.00 0.00 O ATOM 150 CB LEU A 452 -4.213 -3.031 7.238 1.00 0.00 C ATOM 151 CG LEU A 452 -3.897 -2.913 8.743 1.00 0.00 C ATOM 152 CD1 LEU A 452 -4.053 -1.473 9.212 1.00 0.00 C ATOM 153 CD2 LEU A 452 -4.686 -3.842 9.643 1.00 0.00 C ATOM 0 H LEU A 452 -5.717 -5.132 7.211 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.217 -2.256 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -3.718 -3.930 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -3.745 -2.182 6.739 1.00 0.00 H new ATOM 0 HG LEU A 452 -2.859 -3.234 8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -3.826 -1.410 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -3.368 -0.833 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -5.078 -1.143 9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -4.391 -3.682 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -5.751 -3.637 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -4.485 -4.876 9.364 1.00 0.00 H new ATOM 165 N LEU A 453 -5.424 -4.080 4.526 1.00 0.00 N ATOM 166 CA LEU A 453 -5.291 -4.122 3.068 1.00 0.00 C ATOM 167 C LEU A 453 -6.576 -3.731 2.321 1.00 0.00 C ATOM 168 O LEU A 453 -6.548 -3.378 1.142 1.00 0.00 O ATOM 169 CB LEU A 453 -4.838 -5.542 2.688 1.00 0.00 C ATOM 170 CG LEU A 453 -3.372 -5.859 3.062 1.00 0.00 C ATOM 171 CD1 LEU A 453 -3.039 -7.312 2.739 1.00 0.00 C ATOM 172 CD2 LEU A 453 -2.342 -4.980 2.370 1.00 0.00 C ATOM 0 H LEU A 453 -5.266 -4.989 4.961 1.00 0.00 H new ATOM 0 HA LEU A 453 -4.556 -3.378 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.491 -6.264 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -4.965 -5.677 1.614 1.00 0.00 H new ATOM 0 HG LEU A 453 -3.310 -5.659 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -2.003 -7.517 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -3.698 -7.971 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -3.178 -7.489 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -1.341 -5.271 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -2.427 -5.101 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -2.518 -3.937 2.633 1.00 0.00 H new ATOM 184 N LYS A 454 -7.707 -3.744 3.026 1.00 0.00 N ATOM 185 CA LYS A 454 -9.045 -3.413 2.531 1.00 0.00 C ATOM 186 C LYS A 454 -9.578 -2.114 3.153 1.00 0.00 C ATOM 187 O LYS A 454 -10.666 -1.648 2.822 1.00 0.00 O ATOM 188 CB LYS A 454 -9.928 -4.634 2.795 1.00 0.00 C ATOM 189 CG LYS A 454 -9.379 -5.791 1.969 1.00 0.00 C ATOM 190 CD LYS A 454 -10.205 -7.033 2.216 1.00 0.00 C ATOM 191 CE LYS A 454 -9.508 -8.079 1.387 1.00 0.00 C ATOM 192 NZ LYS A 454 -10.400 -9.168 0.902 1.00 0.00 N ATOM 0 H LYS A 454 -7.716 -4.000 4.013 1.00 0.00 H new ATOM 0 HA LYS A 454 -9.033 -3.205 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 454 -9.925 -4.886 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 454 -10.962 -4.425 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 454 -9.398 -5.535 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 454 -8.338 -5.977 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 454 -10.222 -7.302 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 454 -11.241 -6.897 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 454 -9.044 -7.595 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 454 -8.705 -8.519 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 -9.921 -9.698 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 -10.622 -9.811 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 -11.281 -8.757 0.532 1.00 0.00 H new ATOM 206 N ASN A 455 -8.757 -1.517 4.016 1.00 0.00 N ATOM 207 CA ASN A 455 -8.840 -0.198 4.609 1.00 0.00 C ATOM 208 C ASN A 455 -7.546 0.562 4.304 1.00 0.00 C ATOM 209 O ASN A 455 -6.725 0.836 5.187 1.00 0.00 O ATOM 210 CB ASN A 455 -9.000 -0.271 6.112 1.00 0.00 C ATOM 211 CG ASN A 455 -10.335 -0.735 6.638 1.00 0.00 C ATOM 212 OD1 ASN A 455 -11.396 -0.461 6.095 1.00 0.00 O ATOM 213 ND2 ASN A 455 -10.319 -1.264 7.830 1.00 0.00 N ATOM 0 H ASN A 455 -7.927 -2.008 4.349 1.00 0.00 H new ATOM 0 HA ASN A 455 -9.710 0.307 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 455 -8.232 -0.939 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 455 -8.800 0.719 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 455 -11.196 -1.452 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 455 -9.430 -1.490 8.276 1.00 0.00 H new ATOM 220 N ILE A 456 -7.412 0.984 3.056 1.00 0.00 N ATOM 221 CA ILE A 456 -6.363 1.901 2.623 1.00 0.00 C ATOM 222 C ILE A 456 -6.071 3.064 3.612 1.00 0.00 C ATOM 223 O ILE A 456 -4.887 3.340 3.787 1.00 0.00 O ATOM 224 CB ILE A 456 -6.694 2.347 1.186 1.00 0.00 C ATOM 225 CG1 ILE A 456 -6.675 1.190 0.151 1.00 0.00 C ATOM 226 CG2 ILE A 456 -5.803 3.490 0.698 1.00 0.00 C ATOM 227 CD1 ILE A 456 -5.440 0.275 0.174 1.00 0.00 C ATOM 0 H ILE A 456 -8.037 0.696 2.303 1.00 0.00 H new ATOM 0 HA ILE A 456 -5.407 1.377 2.623 1.00 0.00 H new ATOM 0 HB ILE A 456 -7.719 2.711 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 456 -7.560 0.574 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 456 -6.762 1.622 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 456 -6.083 3.761 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 456 -5.929 4.354 1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 456 -4.761 3.171 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 456 -5.542 -0.493 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 456 -4.545 0.866 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 456 -5.356 -0.198 1.153 1.00 0.00 H new ATOM 239 N PRO A 457 -7.025 3.711 4.332 1.00 0.00 N ATOM 240 CA PRO A 457 -6.695 4.786 5.277 1.00 0.00 C ATOM 241 C PRO A 457 -5.793 4.305 6.430 1.00 0.00 C ATOM 242 O PRO A 457 -4.715 4.857 6.649 1.00 0.00 O ATOM 243 CB PRO A 457 -8.036 5.344 5.787 1.00 0.00 C ATOM 244 CG PRO A 457 -9.084 4.776 4.827 1.00 0.00 C ATOM 245 CD PRO A 457 -8.455 3.447 4.434 1.00 0.00 C ATOM 0 HA PRO A 457 -6.113 5.562 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 457 -8.230 5.033 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 457 -8.040 6.434 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 457 -10.052 4.644 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 457 -9.244 5.424 3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 457 -8.661 2.679 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 457 -8.857 3.087 3.487 1.00 0.00 H new ATOM 253 N MET A 458 -6.199 3.253 7.157 1.00 0.00 N ATOM 254 CA MET A 458 -5.401 2.686 8.262 1.00 0.00 C ATOM 255 C MET A 458 -4.200 1.870 7.763 1.00 0.00 C ATOM 256 O MET A 458 -3.220 1.741 8.494 1.00 0.00 O ATOM 257 CB MET A 458 -6.279 1.909 9.254 1.00 0.00 C ATOM 258 CG MET A 458 -7.248 0.934 8.617 1.00 0.00 C ATOM 259 SD MET A 458 -8.386 0.209 9.819 1.00 0.00 S ATOM 260 CE MET A 458 -7.453 -1.288 10.156 1.00 0.00 C ATOM 0 H MET A 458 -7.084 2.772 6.999 1.00 0.00 H new ATOM 0 HA MET A 458 -4.977 3.526 8.812 1.00 0.00 H new ATOM 0 HB2 MET A 458 -5.632 1.361 9.938 1.00 0.00 H new ATOM 0 HB3 MET A 458 -6.845 2.623 9.853 1.00 0.00 H new ATOM 0 HG2 MET A 458 -7.819 1.447 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 458 -6.688 0.139 8.125 1.00 0.00 H new ATOM 0 HE1 MET A 458 -8.036 -1.942 10.805 1.00 0.00 H new ATOM 0 HE2 MET A 458 -7.240 -1.803 9.219 1.00 0.00 H new ATOM 0 HE3 MET A 458 -6.516 -1.029 10.649 1.00 0.00 H new ATOM 270 N TRP A 459 -4.201 1.398 6.511 1.00 0.00 N ATOM 271 CA TRP A 459 -2.999 0.811 5.911 1.00 0.00 C ATOM 272 C TRP A 459 -1.906 1.863 5.641 1.00 0.00 C ATOM 273 O TRP A 459 -0.761 1.711 6.069 1.00 0.00 O ATOM 274 CB TRP A 459 -3.345 -0.023 4.686 1.00 0.00 C ATOM 275 CG TRP A 459 -2.196 -0.749 4.059 1.00 0.00 C ATOM 276 CD1 TRP A 459 -1.794 -1.994 4.400 1.00 0.00 C ATOM 277 CD2 TRP A 459 -1.266 -0.294 3.023 1.00 0.00 C ATOM 278 NE1 TRP A 459 -0.711 -2.350 3.627 1.00 0.00 N ATOM 279 CE2 TRP A 459 -0.351 -1.356 2.755 1.00 0.00 C ATOM 280 CE3 TRP A 459 -1.076 0.906 2.302 1.00 0.00 C ATOM 281 CZ2 TRP A 459 0.677 -1.261 1.810 1.00 0.00 C ATOM 282 CZ3 TRP A 459 -0.020 1.029 1.378 1.00 0.00 C ATOM 283 CH2 TRP A 459 0.833 -0.051 1.122 1.00 0.00 C ATOM 0 H TRP A 459 -5.016 1.411 5.897 1.00 0.00 H new ATOM 0 HA TRP A 459 -2.567 0.127 6.641 1.00 0.00 H new ATOM 0 HB2 TRP A 459 -4.104 -0.753 4.967 1.00 0.00 H new ATOM 0 HB3 TRP A 459 -3.792 0.630 3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 459 -2.250 -2.612 5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 459 -0.233 -3.248 3.696 1.00 0.00 H new ATOM 0 HE3 TRP A 459 -1.747 1.737 2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 459 1.332 -2.098 1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 459 0.133 1.965 0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 459 1.618 0.050 0.387 1.00 0.00 H new ATOM 294 N LEU A 460 -2.277 2.988 5.015 1.00 0.00 N ATOM 295 CA LEU A 460 -1.444 4.190 4.840 1.00 0.00 C ATOM 296 C LEU A 460 -1.025 4.842 6.168 1.00 0.00 C ATOM 297 O LEU A 460 -0.069 5.621 6.201 1.00 0.00 O ATOM 298 CB LEU A 460 -2.230 5.220 4.009 1.00 0.00 C ATOM 299 CG LEU A 460 -2.480 4.850 2.542 1.00 0.00 C ATOM 300 CD1 LEU A 460 -3.531 5.805 1.965 1.00 0.00 C ATOM 301 CD2 LEU A 460 -1.223 5.046 1.707 1.00 0.00 C ATOM 0 H LEU A 460 -3.203 3.092 4.599 1.00 0.00 H new ATOM 0 HA LEU A 460 -0.530 3.875 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 460 -3.194 5.386 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 460 -1.692 6.167 4.037 1.00 0.00 H new ATOM 0 HG LEU A 460 -2.798 3.808 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 460 -3.718 5.552 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 460 -4.457 5.713 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 460 -3.166 6.830 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 460 -1.429 4.776 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 460 -0.913 6.090 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 460 -0.426 4.412 2.095 1.00 0.00 H new ATOM 313 N LYS A 461 -1.723 4.558 7.272 1.00 0.00 N ATOM 314 CA LYS A 461 -1.384 5.064 8.609 1.00 0.00 C ATOM 315 C LYS A 461 -0.111 4.499 9.192 1.00 0.00 C ATOM 316 O LYS A 461 0.618 5.239 9.853 1.00 0.00 O ATOM 317 CB LYS A 461 -2.589 4.863 9.522 1.00 0.00 C ATOM 318 CG LYS A 461 -2.393 5.583 10.850 1.00 0.00 C ATOM 319 CD LYS A 461 -3.659 5.598 11.691 1.00 0.00 C ATOM 320 CE LYS A 461 -4.589 6.711 11.187 1.00 0.00 C ATOM 321 NZ LYS A 461 -4.505 7.938 12.023 1.00 0.00 N ATOM 0 H LYS A 461 -2.551 3.962 7.264 1.00 0.00 H new ATOM 0 HA LYS A 461 -1.162 6.127 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -3.488 5.236 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -2.741 3.799 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -1.594 5.097 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -2.073 6.608 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -4.162 4.633 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -3.411 5.762 12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -4.332 6.958 10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -5.617 6.348 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -5.453 8.186 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -3.873 7.765 12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -4.131 8.722 11.452 1.00 0.00 H new ATOM 335 N SER A 462 0.234 3.266 8.850 1.00 0.00 N ATOM 336 CA SER A 462 1.551 2.736 9.192 1.00 0.00 C ATOM 337 C SER A 462 2.690 3.570 8.567 1.00 0.00 C ATOM 338 O SER A 462 3.766 3.670 9.158 1.00 0.00 O ATOM 339 CB SER A 462 1.665 1.272 8.755 1.00 0.00 C ATOM 340 OG SER A 462 0.740 0.462 9.464 1.00 0.00 O ATOM 0 H SER A 462 -0.369 2.619 8.342 1.00 0.00 H new ATOM 0 HA SER A 462 1.656 2.797 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 462 1.479 1.192 7.684 1.00 0.00 H new ATOM 0 HB3 SER A 462 2.679 0.913 8.931 1.00 0.00 H new ATOM 0 HG SER A 462 0.827 -0.469 9.170 1.00 0.00 H new ATOM 346 N LEU A 463 2.446 4.244 7.426 1.00 0.00 N ATOM 347 CA LEU A 463 3.388 5.142 6.741 1.00 0.00 C ATOM 348 C LEU A 463 3.428 6.558 7.349 1.00 0.00 C ATOM 349 O LEU A 463 4.213 7.396 6.903 1.00 0.00 O ATOM 350 CB LEU A 463 3.041 5.254 5.240 1.00 0.00 C ATOM 351 CG LEU A 463 2.430 4.014 4.574 1.00 0.00 C ATOM 352 CD1 LEU A 463 2.244 4.243 3.079 1.00 0.00 C ATOM 353 CD2 LEU A 463 3.266 2.745 4.741 1.00 0.00 C ATOM 0 H LEU A 463 1.552 4.173 6.940 1.00 0.00 H new ATOM 0 HA LEU A 463 4.374 4.695 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 463 2.346 6.084 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 463 3.951 5.515 4.700 1.00 0.00 H new ATOM 0 HG LEU A 463 1.477 3.865 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 463 1.810 3.352 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.579 5.092 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.211 4.449 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 463 2.768 1.913 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.250 2.897 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 463 3.377 2.519 5.802 1.00 0.00 H new ATOM 365 N ARG A 464 2.553 6.843 8.329 1.00 0.00 N ATOM 366 CA ARG A 464 2.255 8.164 8.923 1.00 0.00 C ATOM 367 C ARG A 464 1.595 9.143 7.932 1.00 0.00 C ATOM 368 O ARG A 464 1.511 10.340 8.204 1.00 0.00 O ATOM 369 CB ARG A 464 3.484 8.744 9.667 1.00 0.00 C ATOM 370 CG ARG A 464 4.384 7.716 10.385 1.00 0.00 C ATOM 371 CD ARG A 464 3.644 6.754 11.332 1.00 0.00 C ATOM 372 NE ARG A 464 4.360 5.468 11.446 1.00 0.00 N ATOM 373 CZ ARG A 464 5.224 5.082 12.366 1.00 0.00 C ATOM 374 NH1 ARG A 464 5.567 5.844 13.367 1.00 0.00 N ATOM 375 NH2 ARG A 464 5.769 3.903 12.288 1.00 0.00 N ATOM 0 H ARG A 464 1.994 6.106 8.759 1.00 0.00 H new ATOM 0 HA ARG A 464 1.491 8.007 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 464 4.093 9.293 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 464 3.131 9.466 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 464 4.910 7.128 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 464 5.141 8.254 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 464 3.549 7.210 12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 464 2.633 6.580 10.962 1.00 0.00 H new ATOM 0 HE ARG A 464 4.160 4.785 10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 464 5.164 6.776 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 464 6.239 5.508 14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 464 5.528 3.280 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 464 6.437 3.602 12.998 1.00 0.00 H new ATOM 389 N LEU A 465 1.096 8.624 6.801 1.00 0.00 N ATOM 390 CA LEU A 465 0.428 9.368 5.728 1.00 0.00 C ATOM 391 C LEU A 465 -1.097 9.396 5.914 1.00 0.00 C ATOM 392 O LEU A 465 -1.653 10.467 6.146 1.00 0.00 O ATOM 393 CB LEU A 465 0.827 8.775 4.362 1.00 0.00 C ATOM 394 CG LEU A 465 2.313 8.964 3.995 1.00 0.00 C ATOM 395 CD1 LEU A 465 2.592 8.204 2.703 1.00 0.00 C ATOM 396 CD2 LEU A 465 2.692 10.440 3.845 1.00 0.00 C ATOM 0 H LEU A 465 1.151 7.625 6.602 1.00 0.00 H new ATOM 0 HA LEU A 465 0.759 10.406 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 465 0.598 7.709 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 465 0.213 9.234 3.587 1.00 0.00 H new ATOM 0 HG LEU A 465 2.925 8.570 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 465 3.640 8.327 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 465 2.377 7.146 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 465 1.959 8.596 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 465 3.748 10.520 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 465 2.090 10.892 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 465 2.508 10.960 4.785 1.00 0.00 H new ATOM 408 N HIS A 466 -1.767 8.235 5.812 1.00 0.00 N ATOM 409 CA HIS A 466 -3.224 8.054 6.061 1.00 0.00 C ATOM 410 C HIS A 466 -4.188 9.129 5.506 1.00 0.00 C ATOM 411 O HIS A 466 -5.194 9.473 6.132 1.00 0.00 O ATOM 412 CB HIS A 466 -3.427 7.718 7.540 1.00 0.00 C ATOM 413 CG HIS A 466 -3.062 8.758 8.564 1.00 0.00 C ATOM 414 ND1 HIS A 466 -1.886 8.792 9.277 1.00 0.00 N ATOM 415 CD2 HIS A 466 -3.917 9.664 9.128 1.00 0.00 C ATOM 416 CE1 HIS A 466 -2.035 9.676 10.274 1.00 0.00 C ATOM 417 NE2 HIS A 466 -3.257 10.234 10.225 1.00 0.00 N ATOM 0 H HIS A 466 -1.304 7.366 5.547 1.00 0.00 H new ATOM 0 HA HIS A 466 -3.537 7.214 5.441 1.00 0.00 H new ATOM 0 HB2 HIS A 466 -4.478 7.466 7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 466 -2.851 6.819 7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 466 -4.916 9.897 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 466 -1.281 9.907 11.012 1.00 0.00 H new ATOM 0 HE2 HIS A 466 -3.631 10.936 10.863 1.00 0.00 H new ATOM 425 N LYS A 467 -3.887 9.631 4.301 1.00 0.00 N ATOM 426 CA LYS A 467 -4.573 10.756 3.629 1.00 0.00 C ATOM 427 C LYS A 467 -4.947 10.497 2.168 1.00 0.00 C ATOM 428 O LYS A 467 -5.982 10.974 1.702 1.00 0.00 O ATOM 429 CB LYS A 467 -3.700 12.019 3.760 1.00 0.00 C ATOM 430 CG LYS A 467 -2.400 11.852 2.959 1.00 0.00 C ATOM 431 CD LYS A 467 -1.377 12.959 3.108 1.00 0.00 C ATOM 432 CE LYS A 467 -1.821 14.266 2.441 1.00 0.00 C ATOM 433 NZ LYS A 467 -0.667 15.175 2.219 1.00 0.00 N ATOM 0 H LYS A 467 -3.126 9.251 3.738 1.00 0.00 H new ATOM 0 HA LYS A 467 -5.529 10.890 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 467 -4.249 12.888 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 467 -3.468 12.202 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 467 -1.934 10.912 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 467 -2.657 11.762 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 467 -1.195 13.140 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 467 -0.432 12.636 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 467 -2.302 14.046 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 467 -2.563 14.762 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 -0.992 16.037 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 -0.245 15.430 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 0.044 14.696 1.631 1.00 0.00 H new ATOM 447 N TYR A 468 -4.116 9.752 1.432 1.00 0.00 N ATOM 448 CA TYR A 468 -4.248 9.594 -0.017 1.00 0.00 C ATOM 449 C TYR A 468 -5.421 8.677 -0.397 1.00 0.00 C ATOM 450 O TYR A 468 -5.910 8.699 -1.527 1.00 0.00 O ATOM 451 CB TYR A 468 -2.890 9.226 -0.620 1.00 0.00 C ATOM 452 CG TYR A 468 -1.824 10.242 -0.281 1.00 0.00 C ATOM 453 CD1 TYR A 468 -2.006 11.559 -0.745 1.00 0.00 C ATOM 454 CD2 TYR A 468 -0.677 9.903 0.454 1.00 0.00 C ATOM 455 CE1 TYR A 468 -1.040 12.547 -0.490 1.00 0.00 C ATOM 456 CE2 TYR A 468 0.298 10.890 0.700 1.00 0.00 C ATOM 457 CZ TYR A 468 0.123 12.212 0.225 1.00 0.00 C ATOM 458 OH TYR A 468 1.007 13.197 0.552 1.00 0.00 O ATOM 0 H TYR A 468 -3.329 9.239 1.829 1.00 0.00 H new ATOM 0 HA TYR A 468 -4.527 10.545 -0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 468 -2.585 8.245 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 468 -2.984 9.147 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 468 -2.896 11.812 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 468 -0.544 8.898 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 468 -1.190 13.557 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 468 1.188 10.635 1.257 1.00 0.00 H new ATOM 0 HH TYR A 468 1.760 12.810 1.046 1.00 0.00 H new ATOM 468 N SER A 469 -5.964 7.976 0.600 1.00 0.00 N ATOM 469 CA SER A 469 -7.197 7.192 0.635 1.00 0.00 C ATOM 470 C SER A 469 -8.421 7.944 0.120 1.00 0.00 C ATOM 471 O SER A 469 -9.338 7.314 -0.403 1.00 0.00 O ATOM 472 CB SER A 469 -7.484 6.810 2.093 1.00 0.00 C ATOM 473 OG SER A 469 -7.182 7.890 2.967 1.00 0.00 O ATOM 0 H SER A 469 -5.495 7.941 1.505 1.00 0.00 H new ATOM 0 HA SER A 469 -7.037 6.331 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 469 -8.532 6.531 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 469 -6.892 5.937 2.368 1.00 0.00 H new ATOM 0 HG SER A 469 -7.374 7.626 3.891 1.00 0.00 H new ATOM 479 N ASP A 470 -8.403 9.275 0.192 1.00 0.00 N ATOM 480 CA ASP A 470 -9.384 10.182 -0.407 1.00 0.00 C ATOM 481 C ASP A 470 -9.678 9.848 -1.881 1.00 0.00 C ATOM 482 O ASP A 470 -10.804 9.999 -2.360 1.00 0.00 O ATOM 483 CB ASP A 470 -8.817 11.599 -0.300 1.00 0.00 C ATOM 484 CG ASP A 470 -9.780 12.663 -0.853 1.00 0.00 C ATOM 485 OD1 ASP A 470 -10.818 12.936 -0.202 1.00 0.00 O ATOM 486 OD2 ASP A 470 -9.492 13.244 -1.927 1.00 0.00 O ATOM 0 H ASP A 470 -7.669 9.775 0.694 1.00 0.00 H new ATOM 0 HA ASP A 470 -10.330 10.082 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -8.597 11.821 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -7.873 11.651 -0.843 1.00 0.00 H new ATOM 491 N ALA A 471 -8.653 9.339 -2.569 1.00 0.00 N ATOM 492 CA ALA A 471 -8.676 8.855 -3.939 1.00 0.00 C ATOM 493 C ALA A 471 -8.347 7.351 -4.055 1.00 0.00 C ATOM 494 O ALA A 471 -8.932 6.632 -4.866 1.00 0.00 O ATOM 495 CB ALA A 471 -7.644 9.700 -4.692 1.00 0.00 C ATOM 0 H ALA A 471 -7.727 9.251 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 471 -9.678 8.954 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 471 -7.609 9.387 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 471 -7.925 10.752 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 471 -6.662 9.564 -4.239 1.00 0.00 H new ATOM 501 N LEU A 472 -7.410 6.870 -3.232 1.00 0.00 N ATOM 502 CA LEU A 472 -6.765 5.558 -3.339 1.00 0.00 C ATOM 503 C LEU A 472 -7.468 4.392 -2.667 1.00 0.00 C ATOM 504 O LEU A 472 -7.264 3.246 -3.045 1.00 0.00 O ATOM 505 CB LEU A 472 -5.332 5.734 -2.826 1.00 0.00 C ATOM 506 CG LEU A 472 -4.555 6.254 -4.040 1.00 0.00 C ATOM 507 CD1 LEU A 472 -3.543 7.328 -3.757 1.00 0.00 C ATOM 508 CD2 LEU A 472 -3.869 5.051 -4.642 1.00 0.00 C ATOM 0 H LEU A 472 -7.065 7.409 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.805 5.260 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -5.291 6.439 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -4.921 4.792 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 472 -5.268 6.738 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -3.054 7.621 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -4.043 8.193 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -2.797 6.950 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -3.296 5.359 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -3.198 4.608 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -4.617 4.316 -4.939 1.00 0.00 H new ATOM 520 N SER A 473 -8.346 4.683 -1.725 1.00 0.00 N ATOM 521 CA SER A 473 -9.234 3.693 -1.088 1.00 0.00 C ATOM 522 C SER A 473 -10.251 3.087 -2.065 1.00 0.00 C ATOM 523 O SER A 473 -10.730 1.969 -1.872 1.00 0.00 O ATOM 524 CB SER A 473 -9.913 4.309 0.129 1.00 0.00 C ATOM 525 OG SER A 473 -10.387 3.320 1.026 1.00 0.00 O ATOM 0 H SER A 473 -8.474 5.629 -1.365 1.00 0.00 H new ATOM 0 HA SER A 473 -8.614 2.859 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 473 -9.209 4.961 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.745 4.933 -0.197 1.00 0.00 H new ATOM 0 HG SER A 473 -10.815 3.753 1.794 1.00 0.00 H new ATOM 531 N GLY A 474 -10.511 3.794 -3.168 1.00 0.00 N ATOM 532 CA GLY A 474 -11.245 3.300 -4.341 1.00 0.00 C ATOM 533 C GLY A 474 -10.440 2.323 -5.222 1.00 0.00 C ATOM 534 O GLY A 474 -10.984 1.784 -6.187 1.00 0.00 O ATOM 0 H GLY A 474 -10.206 4.761 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.155 2.803 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -11.553 4.151 -4.949 1.00 0.00 H new ATOM 538 N THR A 475 -9.163 2.076 -4.899 1.00 0.00 N ATOM 539 CA THR A 475 -8.247 1.130 -5.562 1.00 0.00 C ATOM 540 C THR A 475 -7.788 0.075 -4.534 1.00 0.00 C ATOM 541 O THR A 475 -6.990 0.403 -3.653 1.00 0.00 O ATOM 542 CB THR A 475 -7.059 1.878 -6.224 1.00 0.00 C ATOM 543 OG1 THR A 475 -7.538 2.806 -7.182 1.00 0.00 O ATOM 544 CG2 THR A 475 -6.163 0.911 -6.995 1.00 0.00 C ATOM 0 H THR A 475 -8.712 2.559 -4.122 1.00 0.00 H new ATOM 0 HA THR A 475 -8.765 0.614 -6.371 1.00 0.00 H new ATOM 0 HB THR A 475 -6.509 2.368 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 475 -7.886 2.323 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 475 -5.339 1.462 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 475 -5.765 0.160 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 475 -6.744 0.420 -7.775 1.00 0.00 H new ATOM 552 N PRO A 476 -8.288 -1.182 -4.582 1.00 0.00 N ATOM 553 CA PRO A 476 -7.925 -2.222 -3.610 1.00 0.00 C ATOM 554 C PRO A 476 -6.430 -2.483 -3.630 1.00 0.00 C ATOM 555 O PRO A 476 -5.820 -2.387 -4.693 1.00 0.00 O ATOM 556 CB PRO A 476 -8.638 -3.510 -4.035 1.00 0.00 C ATOM 557 CG PRO A 476 -9.058 -3.249 -5.479 1.00 0.00 C ATOM 558 CD PRO A 476 -9.166 -1.733 -5.602 1.00 0.00 C ATOM 0 HA PRO A 476 -8.212 -1.902 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 476 -7.977 -4.373 -3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 476 -9.500 -3.715 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 476 -8.325 -3.649 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 476 -10.010 -3.730 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 476 -8.866 -1.400 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 476 -10.194 -1.402 -5.452 1.00 0.00 H new ATOM 566 N TRP A 477 -5.857 -2.917 -2.505 1.00 0.00 N ATOM 567 CA TRP A 477 -4.418 -3.178 -2.391 1.00 0.00 C ATOM 568 C TRP A 477 -3.842 -4.022 -3.537 1.00 0.00 C ATOM 569 O TRP A 477 -2.727 -3.783 -3.988 1.00 0.00 O ATOM 570 CB TRP A 477 -4.074 -3.833 -1.070 1.00 0.00 C ATOM 571 CG TRP A 477 -4.435 -5.283 -0.973 1.00 0.00 C ATOM 572 CD1 TRP A 477 -5.676 -5.807 -0.842 1.00 0.00 C ATOM 573 CD2 TRP A 477 -3.534 -6.425 -1.074 1.00 0.00 C ATOM 574 NE1 TRP A 477 -5.589 -7.173 -0.775 1.00 0.00 N ATOM 575 CE2 TRP A 477 -4.300 -7.625 -0.970 1.00 0.00 C ATOM 576 CE3 TRP A 477 -2.143 -6.563 -1.258 1.00 0.00 C ATOM 577 CZ2 TRP A 477 -3.715 -8.900 -1.058 1.00 0.00 C ATOM 578 CZ3 TRP A 477 -1.550 -7.830 -1.322 1.00 0.00 C ATOM 579 CH2 TRP A 477 -2.327 -8.997 -1.252 1.00 0.00 C ATOM 0 H TRP A 477 -6.377 -3.098 -1.646 1.00 0.00 H new ATOM 0 HA TRP A 477 -3.954 -2.193 -2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 477 -3.003 -3.728 -0.897 1.00 0.00 H new ATOM 0 HB3 TRP A 477 -4.581 -3.293 -0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 477 -6.592 -5.237 -0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 477 -6.386 -7.785 -0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 477 -1.527 -5.681 -1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 477 -4.322 -9.790 -0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 477 -0.478 -7.911 -1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 477 -1.859 -9.966 -1.347 1.00 0.00 H new ATOM 590 N ILE A 478 -4.612 -4.978 -4.054 1.00 0.00 N ATOM 591 CA ILE A 478 -4.153 -5.862 -5.121 1.00 0.00 C ATOM 592 C ILE A 478 -4.080 -5.182 -6.505 1.00 0.00 C ATOM 593 O ILE A 478 -3.378 -5.682 -7.383 1.00 0.00 O ATOM 594 CB ILE A 478 -4.995 -7.151 -5.093 1.00 0.00 C ATOM 595 CG1 ILE A 478 -4.180 -8.344 -5.635 1.00 0.00 C ATOM 596 CG2 ILE A 478 -6.351 -6.994 -5.804 1.00 0.00 C ATOM 597 CD1 ILE A 478 -4.675 -9.691 -5.098 1.00 0.00 C ATOM 0 H ILE A 478 -5.567 -5.160 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 478 -3.113 -6.129 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 478 -5.238 -7.359 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -4.233 -8.350 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -3.131 -8.214 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -6.900 -7.934 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -6.929 -6.209 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -6.186 -6.728 -6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -4.065 -10.494 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -4.597 -9.700 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -5.715 -9.838 -5.388 1.00 0.00 H new ATOM 609 N GLU A 479 -4.736 -4.027 -6.702 1.00 0.00 N ATOM 610 CA GLU A 479 -4.562 -3.164 -7.894 1.00 0.00 C ATOM 611 C GLU A 479 -3.729 -1.896 -7.593 1.00 0.00 C ATOM 612 O GLU A 479 -3.188 -1.252 -8.492 1.00 0.00 O ATOM 613 CB GLU A 479 -5.937 -2.765 -8.454 1.00 0.00 C ATOM 614 CG GLU A 479 -6.727 -3.969 -8.986 1.00 0.00 C ATOM 615 CD GLU A 479 -8.002 -3.514 -9.721 1.00 0.00 C ATOM 616 OE1 GLU A 479 -7.940 -3.259 -10.950 1.00 0.00 O ATOM 617 OE2 GLU A 479 -9.078 -3.415 -9.083 1.00 0.00 O ATOM 0 H GLU A 479 -5.411 -3.657 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 479 -4.010 -3.743 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 479 -6.515 -2.272 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 479 -5.802 -2.040 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 479 -6.100 -4.549 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 479 -6.995 -4.626 -8.159 1.00 0.00 H new ATOM 624 N LEU A 480 -3.610 -1.563 -6.310 1.00 0.00 N ATOM 625 CA LEU A 480 -2.908 -0.441 -5.677 1.00 0.00 C ATOM 626 C LEU A 480 -1.405 -0.645 -5.694 1.00 0.00 C ATOM 627 O LEU A 480 -0.672 0.210 -6.180 1.00 0.00 O ATOM 628 CB LEU A 480 -3.413 -0.466 -4.239 1.00 0.00 C ATOM 629 CG LEU A 480 -3.090 0.473 -3.085 1.00 0.00 C ATOM 630 CD1 LEU A 480 -1.852 0.053 -2.314 1.00 0.00 C ATOM 631 CD2 LEU A 480 -3.041 1.898 -3.562 1.00 0.00 C ATOM 0 H LEU A 480 -4.057 -2.143 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 480 -3.094 0.501 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 480 -4.499 -0.435 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 480 -3.151 -1.458 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 480 -3.902 0.404 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 480 -1.671 0.759 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 480 -2.002 -0.944 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 480 -0.992 0.042 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 480 -2.809 2.555 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 480 -2.271 2.000 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 480 -4.008 2.174 -3.982 1.00 0.00 H new ATOM 643 N ILE A 481 -0.932 -1.778 -5.160 1.00 0.00 N ATOM 644 CA ILE A 481 0.491 -1.961 -4.934 1.00 0.00 C ATOM 645 C ILE A 481 1.269 -1.992 -6.266 1.00 0.00 C ATOM 646 O ILE A 481 2.454 -1.683 -6.332 1.00 0.00 O ATOM 647 CB ILE A 481 0.777 -3.228 -4.094 1.00 0.00 C ATOM 648 CG1 ILE A 481 0.368 -4.510 -4.854 1.00 0.00 C ATOM 649 CG2 ILE A 481 0.152 -3.058 -2.697 1.00 0.00 C ATOM 650 CD1 ILE A 481 0.524 -5.795 -4.046 1.00 0.00 C ATOM 0 H ILE A 481 -1.513 -2.569 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 481 0.841 -1.102 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 481 1.848 -3.353 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 481 -0.671 -4.416 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 481 0.969 -4.589 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 481 0.350 -3.948 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 481 0.588 -2.187 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 481 -0.925 -2.918 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 481 0.216 -6.646 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 481 1.567 -5.917 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 481 -0.099 -5.741 -3.153 1.00 0.00 H new ATOM 662 N TYR A 482 0.557 -2.369 -7.333 1.00 0.00 N ATOM 663 CA TYR A 482 0.953 -2.399 -8.737 1.00 0.00 C ATOM 664 C TYR A 482 1.163 -1.015 -9.370 1.00 0.00 C ATOM 665 O TYR A 482 1.751 -0.931 -10.454 1.00 0.00 O ATOM 666 CB TYR A 482 -0.154 -3.142 -9.496 1.00 0.00 C ATOM 667 CG TYR A 482 -0.219 -4.656 -9.337 1.00 0.00 C ATOM 668 CD1 TYR A 482 0.710 -5.375 -8.550 1.00 0.00 C ATOM 669 CD2 TYR A 482 -1.242 -5.355 -10.007 1.00 0.00 C ATOM 670 CE1 TYR A 482 0.639 -6.776 -8.463 1.00 0.00 C ATOM 671 CE2 TYR A 482 -1.320 -6.758 -9.921 1.00 0.00 C ATOM 672 CZ TYR A 482 -0.367 -7.475 -9.171 1.00 0.00 C ATOM 673 OH TYR A 482 -0.414 -8.836 -9.153 1.00 0.00 O ATOM 0 H TYR A 482 -0.404 -2.691 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 482 1.922 -2.894 -8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.113 -2.729 -9.183 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -0.043 -2.919 -10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 482 1.480 -4.843 -8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -1.971 -4.812 -10.590 1.00 0.00 H new ATOM 0 HE1 TYR A 482 1.350 -7.318 -7.857 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -2.112 -7.286 -10.431 1.00 0.00 H new ATOM 0 HH TYR A 482 -1.171 -9.144 -9.693 1.00 0.00 H new ATOM 683 N LEU A 483 0.705 0.065 -8.726 1.00 0.00 N ATOM 684 CA LEU A 483 1.092 1.422 -9.134 1.00 0.00 C ATOM 685 C LEU A 483 2.564 1.652 -8.749 1.00 0.00 C ATOM 686 O LEU A 483 3.240 0.804 -8.163 1.00 0.00 O ATOM 687 CB LEU A 483 0.234 2.530 -8.498 1.00 0.00 C ATOM 688 CG LEU A 483 -1.293 2.307 -8.477 1.00 0.00 C ATOM 689 CD1 LEU A 483 -1.974 2.913 -7.259 1.00 0.00 C ATOM 690 CD2 LEU A 483 -1.962 3.034 -9.633 1.00 0.00 C ATOM 0 H LEU A 483 0.072 0.028 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 483 0.937 1.484 -10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 483 0.570 2.671 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 483 0.433 3.460 -9.030 1.00 0.00 H new ATOM 0 HG LEU A 483 -1.401 1.223 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 483 -3.046 2.720 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 483 -1.565 2.465 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 483 -1.800 3.989 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 483 -3.038 2.862 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 483 -1.763 4.103 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 483 -1.566 2.659 -10.577 1.00 0.00 H new ATOM 702 N ASP A 484 3.073 2.826 -9.088 1.00 0.00 N ATOM 703 CA ASP A 484 4.491 3.131 -8.995 1.00 0.00 C ATOM 704 C ASP A 484 4.723 4.643 -9.103 1.00 0.00 C ATOM 705 O ASP A 484 3.774 5.427 -9.228 1.00 0.00 O ATOM 706 CB ASP A 484 5.157 2.449 -10.197 1.00 0.00 C ATOM 707 CG ASP A 484 6.676 2.207 -10.094 1.00 0.00 C ATOM 708 OD1 ASP A 484 7.277 2.464 -9.024 1.00 0.00 O ATOM 709 OD2 ASP A 484 7.275 1.762 -11.103 1.00 0.00 O ATOM 0 H ASP A 484 2.508 3.600 -9.438 1.00 0.00 H new ATOM 0 HA ASP A 484 4.896 2.787 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 484 4.668 1.488 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 484 4.967 3.056 -11.082 1.00 0.00 H new ATOM 714 N ASP A 485 6.011 4.987 -9.130 1.00 0.00 N ATOM 715 CA ASP A 485 6.660 6.252 -9.442 1.00 0.00 C ATOM 716 C ASP A 485 5.688 7.423 -9.627 1.00 0.00 C ATOM 717 O ASP A 485 5.324 8.061 -8.642 1.00 0.00 O ATOM 718 CB ASP A 485 7.623 6.044 -10.628 1.00 0.00 C ATOM 719 CG ASP A 485 8.417 7.308 -11.006 1.00 0.00 C ATOM 720 OD1 ASP A 485 8.839 8.066 -10.101 1.00 0.00 O ATOM 721 OD2 ASP A 485 8.624 7.542 -12.220 1.00 0.00 O ATOM 0 H ASP A 485 6.715 4.285 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 485 7.244 6.560 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 485 8.323 5.246 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 485 7.052 5.711 -11.495 1.00 0.00 H new ATOM 726 N GLU A 486 5.252 7.711 -10.854 1.00 0.00 N ATOM 727 CA GLU A 486 4.423 8.854 -11.187 1.00 0.00 C ATOM 728 C GLU A 486 2.924 8.535 -11.252 1.00 0.00 C ATOM 729 O GLU A 486 2.119 9.455 -11.340 1.00 0.00 O ATOM 730 CB GLU A 486 4.926 9.392 -12.534 1.00 0.00 C ATOM 731 CG GLU A 486 4.719 10.901 -12.584 1.00 0.00 C ATOM 732 CD GLU A 486 5.099 11.529 -13.939 1.00 0.00 C ATOM 733 OE1 GLU A 486 6.277 11.428 -14.363 1.00 0.00 O ATOM 734 OE2 GLU A 486 4.216 12.151 -14.583 1.00 0.00 O ATOM 0 H GLU A 486 5.477 7.133 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 486 4.513 9.596 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 486 5.982 9.154 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 486 4.390 8.913 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 486 3.674 11.124 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 486 5.312 11.367 -11.797 1.00 0.00 H new ATOM 741 N THR A 487 2.503 7.267 -11.194 1.00 0.00 N ATOM 742 CA THR A 487 1.062 6.941 -11.307 1.00 0.00 C ATOM 743 C THR A 487 0.283 7.115 -10.019 1.00 0.00 C ATOM 744 O THR A 487 -0.875 7.534 -10.047 1.00 0.00 O ATOM 745 CB THR A 487 0.794 5.562 -11.933 1.00 0.00 C ATOM 746 OG1 THR A 487 1.383 5.492 -13.215 1.00 0.00 O ATOM 747 CG2 THR A 487 -0.699 5.264 -12.122 1.00 0.00 C ATOM 0 H THR A 487 3.116 6.461 -11.073 1.00 0.00 H new ATOM 0 HA THR A 487 0.682 7.691 -12.001 1.00 0.00 H new ATOM 0 HB THR A 487 1.219 4.836 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 487 1.210 4.611 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 487 -0.819 4.277 -12.568 1.00 0.00 H new ATOM 0 HG22 THR A 487 -1.200 5.289 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 487 -1.140 6.014 -12.778 1.00 0.00 H new ATOM 755 N LEU A 488 0.930 6.922 -8.876 1.00 0.00 N ATOM 756 CA LEU A 488 0.396 7.344 -7.583 1.00 0.00 C ATOM 757 C LEU A 488 0.024 8.831 -7.602 1.00 0.00 C ATOM 758 O LEU A 488 -0.950 9.296 -7.005 1.00 0.00 O ATOM 759 CB LEU A 488 1.510 7.055 -6.570 1.00 0.00 C ATOM 760 CG LEU A 488 1.667 5.555 -6.305 1.00 0.00 C ATOM 761 CD1 LEU A 488 2.848 5.338 -5.372 1.00 0.00 C ATOM 762 CD2 LEU A 488 0.383 5.023 -5.678 1.00 0.00 C ATOM 0 H LEU A 488 1.841 6.468 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 488 -0.521 6.812 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 488 2.452 7.458 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 488 1.291 7.568 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 488 1.851 5.021 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 488 2.967 4.272 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 488 3.755 5.726 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 488 2.670 5.860 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 488 0.487 3.955 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 488 0.194 5.543 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -0.451 5.190 -6.360 1.00 0.00 H new ATOM 774 N GLU A 489 0.778 9.586 -8.383 1.00 0.00 N ATOM 775 CA GLU A 489 0.697 11.001 -8.588 1.00 0.00 C ATOM 776 C GLU A 489 -0.221 11.385 -9.771 1.00 0.00 C ATOM 777 O GLU A 489 -0.292 12.542 -10.184 1.00 0.00 O ATOM 778 CB GLU A 489 2.176 11.357 -8.727 1.00 0.00 C ATOM 779 CG GLU A 489 2.508 12.794 -9.089 1.00 0.00 C ATOM 780 CD GLU A 489 3.977 13.173 -8.825 1.00 0.00 C ATOM 781 OE1 GLU A 489 4.318 13.506 -7.666 1.00 0.00 O ATOM 782 OE2 GLU A 489 4.801 13.157 -9.768 1.00 0.00 O ATOM 0 H GLU A 489 1.529 9.173 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 489 0.215 11.567 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 489 2.671 11.122 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 489 2.611 10.707 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 489 2.284 12.955 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 489 1.861 13.462 -8.520 1.00 0.00 H new ATOM 789 N LYS A 490 -0.982 10.419 -10.297 1.00 0.00 N ATOM 790 CA LYS A 490 -2.143 10.636 -11.139 1.00 0.00 C ATOM 791 C LYS A 490 -3.433 10.317 -10.376 1.00 0.00 C ATOM 792 O LYS A 490 -4.520 10.668 -10.837 1.00 0.00 O ATOM 793 CB LYS A 490 -2.023 9.803 -12.407 1.00 0.00 C ATOM 794 CG LYS A 490 -0.713 9.964 -13.157 1.00 0.00 C ATOM 795 CD LYS A 490 -0.428 11.371 -13.656 1.00 0.00 C ATOM 796 CE LYS A 490 1.076 11.455 -13.941 1.00 0.00 C ATOM 797 NZ LYS A 490 1.489 12.758 -14.512 1.00 0.00 N ATOM 0 H LYS A 490 -0.791 9.430 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 490 -2.186 11.687 -11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 490 -2.149 8.752 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 490 -2.842 10.066 -13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 490 0.103 9.654 -12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 490 -0.714 9.285 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 490 -1.003 11.583 -14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 490 -0.720 12.110 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 490 1.625 11.281 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 490 1.354 10.659 -14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 490 2.522 12.771 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 490 1.029 12.894 -15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 490 1.207 13.524 -13.868 1.00 0.00 H new ATOM 811 N LYS A 491 -3.304 9.689 -9.195 1.00 0.00 N ATOM 812 CA LYS A 491 -4.388 9.310 -8.292 1.00 0.00 C ATOM 813 C LYS A 491 -4.580 10.293 -7.154 1.00 0.00 C ATOM 814 O LYS A 491 -5.708 10.714 -6.907 1.00 0.00 O ATOM 815 CB LYS A 491 -4.153 7.856 -7.779 1.00 0.00 C ATOM 816 CG LYS A 491 -4.163 6.712 -8.803 1.00 0.00 C ATOM 817 CD LYS A 491 -5.563 6.131 -9.043 1.00 0.00 C ATOM 818 CE LYS A 491 -5.468 4.789 -9.784 1.00 0.00 C ATOM 819 NZ LYS A 491 -6.756 4.044 -9.749 1.00 0.00 N ATOM 0 H LYS A 491 -2.390 9.421 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 491 -5.321 9.340 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 491 -3.191 7.836 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 491 -4.916 7.640 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 491 -3.760 7.075 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 491 -3.501 5.918 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 491 -6.074 5.992 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 491 -6.160 6.833 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 491 -5.179 4.966 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 491 -4.684 4.180 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 491 -6.711 3.241 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 491 -6.927 3.691 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 491 -7.532 4.678 -10.028 1.00 0.00 H new ATOM 833 N GLY A 492 -3.498 10.726 -6.517 1.00 0.00 N ATOM 834 CA GLY A 492 -3.575 11.829 -5.561 1.00 0.00 C ATOM 835 C GLY A 492 -2.524 11.929 -4.482 1.00 0.00 C ATOM 836 O GLY A 492 -2.598 12.784 -3.605 1.00 0.00 O ATOM 0 H GLY A 492 -2.564 10.336 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -3.556 12.760 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -4.547 11.774 -5.071 1.00 0.00 H new ATOM 840 N VAL A 493 -1.549 11.039 -4.571 1.00 0.00 N ATOM 841 CA VAL A 493 -0.370 10.979 -3.713 1.00 0.00 C ATOM 842 C VAL A 493 0.423 12.284 -3.848 1.00 0.00 C ATOM 843 O VAL A 493 0.929 12.872 -2.899 1.00 0.00 O ATOM 844 CB VAL A 493 0.394 9.703 -4.047 1.00 0.00 C ATOM 845 CG1 VAL A 493 1.581 9.553 -3.147 1.00 0.00 C ATOM 846 CG2 VAL A 493 -0.545 8.511 -3.841 1.00 0.00 C ATOM 0 H VAL A 493 -1.556 10.302 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 493 -0.619 10.914 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 493 0.742 9.748 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 493 2.115 8.637 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 493 2.245 10.408 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 493 1.248 9.505 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -0.017 7.587 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -0.878 8.486 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -1.409 8.611 -4.498 1.00 0.00 H new ATOM 856 N LEU A 494 0.393 12.747 -5.092 1.00 0.00 N ATOM 857 CA LEU A 494 0.665 14.043 -5.681 1.00 0.00 C ATOM 858 C LEU A 494 1.971 14.747 -5.268 1.00 0.00 C ATOM 859 O LEU A 494 2.073 15.976 -5.220 1.00 0.00 O ATOM 860 CB LEU A 494 -0.598 14.891 -5.557 1.00 0.00 C ATOM 861 CG LEU A 494 -1.770 14.383 -6.434 1.00 0.00 C ATOM 862 CD1 LEU A 494 -2.064 15.331 -7.544 1.00 0.00 C ATOM 863 CD2 LEU A 494 -1.585 13.130 -7.325 1.00 0.00 C ATOM 0 H LEU A 494 0.129 12.099 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 494 0.898 13.878 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 494 -0.915 14.907 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 494 -0.365 15.919 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 494 -2.490 14.218 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 494 -2.891 14.947 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 494 -2.336 16.302 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 494 -1.181 15.439 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 494 -2.510 12.927 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 494 -0.780 13.307 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 494 -1.334 12.273 -6.700 1.00 0.00 H new ATOM 875 N ALA A 495 2.956 13.930 -4.930 1.00 0.00 N ATOM 876 CA ALA A 495 4.223 14.304 -4.310 1.00 0.00 C ATOM 877 C ALA A 495 5.210 13.143 -4.327 1.00 0.00 C ATOM 878 O ALA A 495 4.857 12.026 -3.948 1.00 0.00 O ATOM 879 CB ALA A 495 3.964 14.656 -2.844 1.00 0.00 C ATOM 0 H ALA A 495 2.891 12.925 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 495 4.639 15.144 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 495 4.902 14.938 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 495 3.264 15.489 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 495 3.541 13.792 -2.332 1.00 0.00 H new ATOM 885 N LEU A 496 6.472 13.426 -4.644 1.00 0.00 N ATOM 886 CA LEU A 496 7.576 12.469 -4.590 1.00 0.00 C ATOM 887 C LEU A 496 7.753 11.826 -3.233 1.00 0.00 C ATOM 888 O LEU A 496 7.784 10.602 -3.147 1.00 0.00 O ATOM 889 CB LEU A 496 8.822 13.136 -5.132 1.00 0.00 C ATOM 890 CG LEU A 496 10.162 12.407 -4.865 1.00 0.00 C ATOM 891 CD1 LEU A 496 11.154 12.798 -5.950 1.00 0.00 C ATOM 892 CD2 LEU A 496 10.841 12.781 -3.540 1.00 0.00 C ATOM 0 H LEU A 496 6.763 14.353 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 496 7.341 11.618 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 496 8.706 13.254 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 496 8.887 14.137 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 496 9.912 11.346 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 496 12.103 12.292 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 496 10.762 12.506 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 496 11.309 13.877 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 496 11.772 12.223 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 496 11.056 13.850 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 496 10.178 12.537 -2.710 1.00 0.00 H new ATOM 904 N GLY A 497 7.824 12.612 -2.162 1.00 0.00 N ATOM 905 CA GLY A 497 8.075 11.999 -0.863 1.00 0.00 C ATOM 906 C GLY A 497 6.865 11.326 -0.228 1.00 0.00 C ATOM 907 O GLY A 497 6.970 10.704 0.829 1.00 0.00 O ATOM 0 H GLY A 497 7.717 13.626 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 497 8.868 11.259 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 497 8.446 12.765 -0.182 1.00 0.00 H new ATOM 911 N ALA A 498 5.736 11.387 -0.925 1.00 0.00 N ATOM 912 CA ALA A 498 4.552 10.599 -0.628 1.00 0.00 C ATOM 913 C ALA A 498 4.581 9.291 -1.436 1.00 0.00 C ATOM 914 O ALA A 498 4.550 8.200 -0.872 1.00 0.00 O ATOM 915 CB ALA A 498 3.343 11.464 -0.948 1.00 0.00 C ATOM 0 H ALA A 498 5.619 12.001 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 498 4.509 10.308 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 498 2.431 10.906 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 498 3.367 12.365 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 498 3.363 11.742 -2.002 1.00 0.00 H new ATOM 921 N ARG A 499 4.721 9.385 -2.766 1.00 0.00 N ATOM 922 CA ARG A 499 4.770 8.230 -3.679 1.00 0.00 C ATOM 923 C ARG A 499 5.961 7.301 -3.415 1.00 0.00 C ATOM 924 O ARG A 499 5.811 6.097 -3.527 1.00 0.00 O ATOM 925 CB ARG A 499 4.629 8.690 -5.147 1.00 0.00 C ATOM 926 CG ARG A 499 5.753 9.603 -5.650 1.00 0.00 C ATOM 927 CD ARG A 499 5.273 10.586 -6.732 1.00 0.00 C ATOM 928 NE ARG A 499 6.304 11.409 -7.391 1.00 0.00 N ATOM 929 CZ ARG A 499 7.302 11.011 -8.160 1.00 0.00 C ATOM 930 NH1 ARG A 499 7.528 9.752 -8.370 1.00 0.00 N ATOM 931 NH2 ARG A 499 8.088 11.869 -8.740 1.00 0.00 N ATOM 0 H ARG A 499 4.805 10.280 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 499 3.906 7.599 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 499 4.584 7.808 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 499 3.679 9.213 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 499 6.164 10.164 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 499 6.561 8.992 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 499 4.752 10.016 -7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 499 4.541 11.256 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 499 6.238 12.415 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 499 6.930 9.048 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 499 8.304 9.466 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 499 7.940 12.869 -8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 499 8.853 11.542 -9.330 1.00 0.00 H new ATOM 945 N ARG A 500 7.107 7.796 -2.939 1.00 0.00 N ATOM 946 CA ARG A 500 8.330 7.041 -2.612 1.00 0.00 C ATOM 947 C ARG A 500 8.152 6.297 -1.289 1.00 0.00 C ATOM 948 O ARG A 500 8.532 5.136 -1.164 1.00 0.00 O ATOM 949 CB ARG A 500 9.453 8.080 -2.569 1.00 0.00 C ATOM 950 CG ARG A 500 10.725 7.532 -1.952 1.00 0.00 C ATOM 951 CD ARG A 500 11.843 8.549 -2.159 1.00 0.00 C ATOM 952 NE ARG A 500 13.109 8.099 -1.550 1.00 0.00 N ATOM 953 CZ ARG A 500 14.276 8.720 -1.586 1.00 0.00 C ATOM 954 NH1 ARG A 500 14.435 9.859 -2.199 1.00 0.00 N ATOM 955 NH2 ARG A 500 15.318 8.202 -1.003 1.00 0.00 N ATOM 0 H ARG A 500 7.217 8.794 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 500 8.562 6.271 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 500 9.663 8.426 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 500 9.120 8.947 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 500 10.578 7.342 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 500 10.989 6.580 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 500 11.991 8.715 -3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 500 11.550 9.505 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 500 13.081 7.212 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 500 13.645 10.299 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 500 15.350 10.311 -2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 500 15.238 7.311 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 500 16.214 8.687 -1.035 1.00 0.00 H new ATOM 969 N LYS A 501 7.497 6.943 -0.320 1.00 0.00 N ATOM 970 CA LYS A 501 6.986 6.248 0.882 1.00 0.00 C ATOM 971 C LYS A 501 6.083 5.100 0.497 1.00 0.00 C ATOM 972 O LYS A 501 6.069 4.052 1.139 1.00 0.00 O ATOM 973 CB LYS A 501 6.099 7.202 1.689 1.00 0.00 C ATOM 974 CG LYS A 501 6.369 7.307 3.199 1.00 0.00 C ATOM 975 CD LYS A 501 7.837 7.490 3.629 1.00 0.00 C ATOM 976 CE LYS A 501 8.594 8.659 2.979 1.00 0.00 C ATOM 977 NZ LYS A 501 8.023 9.983 3.341 1.00 0.00 N ATOM 0 H LYS A 501 7.305 7.945 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 501 7.852 5.902 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 501 6.196 8.199 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 501 5.062 6.896 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.793 8.146 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 501 5.984 6.406 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 501 7.863 7.624 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 501 8.376 6.568 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 501 9.640 8.623 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 501 8.573 8.543 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 7.576 10.409 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 7.311 9.861 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 8.782 10.606 3.683 1.00 0.00 H new ATOM 991 N LEU A 502 5.291 5.325 -0.542 1.00 0.00 N ATOM 992 CA LEU A 502 4.376 4.305 -0.962 1.00 0.00 C ATOM 993 C LEU A 502 5.106 3.156 -1.669 1.00 0.00 C ATOM 994 O LEU A 502 4.704 2.011 -1.533 1.00 0.00 O ATOM 995 CB LEU A 502 3.285 4.882 -1.853 1.00 0.00 C ATOM 996 CG LEU A 502 1.939 5.003 -1.124 1.00 0.00 C ATOM 997 CD1 LEU A 502 1.988 6.030 0.001 1.00 0.00 C ATOM 998 CD2 LEU A 502 0.879 5.462 -2.111 1.00 0.00 C ATOM 0 H LEU A 502 5.271 6.185 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 502 3.904 3.899 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 502 3.592 5.865 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 502 3.164 4.248 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 502 1.709 4.024 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 502 1.015 6.082 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.744 5.736 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.241 7.008 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 502 -0.080 5.550 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 502 1.161 6.431 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 502 0.794 4.735 -2.918 1.00 0.00 H new ATOM 1010 N LEU A 503 6.209 3.430 -2.377 1.00 0.00 N ATOM 1011 CA LEU A 503 7.025 2.460 -3.070 1.00 0.00 C ATOM 1012 C LEU A 503 7.652 1.494 -2.060 1.00 0.00 C ATOM 1013 O LEU A 503 7.738 0.293 -2.328 1.00 0.00 O ATOM 1014 CB LEU A 503 8.079 3.237 -3.886 1.00 0.00 C ATOM 1015 CG LEU A 503 7.613 3.831 -5.231 1.00 0.00 C ATOM 1016 CD1 LEU A 503 6.124 3.747 -5.579 1.00 0.00 C ATOM 1017 CD2 LEU A 503 8.178 5.188 -5.652 1.00 0.00 C ATOM 0 H LEU A 503 6.562 4.382 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 503 6.434 1.850 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 503 8.456 4.051 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 503 8.918 2.569 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 503 8.114 3.085 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 503 5.951 4.206 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 503 5.816 2.702 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 503 5.543 4.274 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 503 7.758 5.473 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 503 7.916 5.938 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 503 9.263 5.121 -5.734 1.00 0.00 H new ATOM 1029 N LYS A 504 8.000 2.010 -0.868 1.00 0.00 N ATOM 1030 CA LYS A 504 8.362 1.205 0.302 1.00 0.00 C ATOM 1031 C LYS A 504 7.219 0.248 0.646 1.00 0.00 C ATOM 1032 O LYS A 504 7.373 -0.970 0.600 1.00 0.00 O ATOM 1033 CB LYS A 504 8.706 2.108 1.510 1.00 0.00 C ATOM 1034 CG LYS A 504 8.974 1.366 2.834 1.00 0.00 C ATOM 1035 CD LYS A 504 8.561 2.160 4.088 1.00 0.00 C ATOM 1036 CE LYS A 504 7.052 2.079 4.428 1.00 0.00 C ATOM 1037 NZ LYS A 504 6.833 2.347 5.877 1.00 0.00 N ATOM 0 H LYS A 504 8.037 3.014 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 504 9.251 0.621 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 504 9.586 2.700 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 504 7.885 2.808 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 504 8.437 0.418 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 504 10.036 1.130 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 504 9.133 1.793 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 504 8.834 3.206 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 504 6.498 2.803 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 504 6.667 1.092 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 504 5.817 2.289 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 504 7.346 1.641 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 504 7.183 3.298 6.111 1.00 0.00 H new ATOM 1051 N ALA A 505 6.070 0.827 0.992 1.00 0.00 N ATOM 1052 CA ALA A 505 4.864 0.166 1.466 1.00 0.00 C ATOM 1053 C ALA A 505 4.483 -0.995 0.529 1.00 0.00 C ATOM 1054 O ALA A 505 4.364 -2.161 0.935 1.00 0.00 O ATOM 1055 CB ALA A 505 3.803 1.267 1.585 1.00 0.00 C ATOM 0 H ALA A 505 5.954 1.839 0.944 1.00 0.00 H new ATOM 0 HA ALA A 505 4.989 -0.309 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 505 2.867 0.834 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 505 4.142 2.024 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 505 3.644 1.726 0.609 1.00 0.00 H new ATOM 1061 N PHE A 506 4.413 -0.651 -0.759 1.00 0.00 N ATOM 1062 CA PHE A 506 4.130 -1.527 -1.874 1.00 0.00 C ATOM 1063 C PHE A 506 5.116 -2.653 -1.894 1.00 0.00 C ATOM 1064 O PHE A 506 4.706 -3.768 -1.627 1.00 0.00 O ATOM 1065 CB PHE A 506 4.131 -0.784 -3.213 1.00 0.00 C ATOM 1066 CG PHE A 506 2.998 0.192 -3.401 1.00 0.00 C ATOM 1067 CD1 PHE A 506 2.028 0.375 -2.399 1.00 0.00 C ATOM 1068 CD2 PHE A 506 2.921 0.928 -4.589 1.00 0.00 C ATOM 1069 CE1 PHE A 506 1.061 1.375 -2.527 1.00 0.00 C ATOM 1070 CE2 PHE A 506 1.873 1.840 -4.772 1.00 0.00 C ATOM 1071 CZ PHE A 506 0.949 2.071 -3.734 1.00 0.00 C ATOM 0 H PHE A 506 4.564 0.312 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 506 3.125 -1.925 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 506 5.074 -0.246 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 506 4.096 -1.518 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 506 2.031 -0.261 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 506 3.665 0.794 -5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 506 0.406 1.608 -1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 506 1.774 2.366 -5.710 1.00 0.00 H new ATOM 0 HZ PHE A 506 0.152 2.787 -3.871 1.00 0.00 H new ATOM 1081 N GLY A 507 6.399 -2.425 -2.177 1.00 0.00 N ATOM 1082 CA GLY A 507 7.235 -3.577 -2.415 1.00 0.00 C ATOM 1083 C GLY A 507 7.593 -4.440 -1.213 1.00 0.00 C ATOM 1084 O GLY A 507 8.074 -5.547 -1.429 1.00 0.00 O ATOM 0 H GLY A 507 6.850 -1.512 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 507 6.736 -4.210 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 507 8.163 -3.232 -2.871 1.00 0.00 H new ATOM 1088 N ILE A 508 7.312 -4.009 0.026 1.00 0.00 N ATOM 1089 CA ILE A 508 7.320 -4.947 1.151 1.00 0.00 C ATOM 1090 C ILE A 508 6.130 -5.883 0.931 1.00 0.00 C ATOM 1091 O ILE A 508 6.336 -7.086 0.867 1.00 0.00 O ATOM 1092 CB ILE A 508 7.253 -4.276 2.540 1.00 0.00 C ATOM 1093 CG1 ILE A 508 8.635 -3.837 3.074 1.00 0.00 C ATOM 1094 CG2 ILE A 508 6.720 -5.265 3.607 1.00 0.00 C ATOM 1095 CD1 ILE A 508 9.289 -2.645 2.376 1.00 0.00 C ATOM 0 H ILE A 508 7.083 -3.045 0.268 1.00 0.00 H new ATOM 0 HA ILE A 508 8.271 -5.480 1.165 1.00 0.00 H new ATOM 0 HB ILE A 508 6.603 -3.413 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 508 8.531 -3.598 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 508 9.313 -4.687 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 508 6.682 -4.769 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 508 5.719 -5.595 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 508 7.383 -6.128 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 508 10.252 -2.435 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 508 9.438 -2.878 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 508 8.644 -1.771 2.467 1.00 0.00 H new ATOM 1107 N VAL A 509 4.898 -5.384 0.756 1.00 0.00 N ATOM 1108 CA VAL A 509 3.740 -6.273 0.588 1.00 0.00 C ATOM 1109 C VAL A 509 3.818 -7.028 -0.739 1.00 0.00 C ATOM 1110 O VAL A 509 3.390 -8.171 -0.807 1.00 0.00 O ATOM 1111 CB VAL A 509 2.412 -5.539 0.804 1.00 0.00 C ATOM 1112 CG1 VAL A 509 2.085 -4.525 -0.263 1.00 0.00 C ATOM 1113 CG2 VAL A 509 1.228 -6.498 0.896 1.00 0.00 C ATOM 0 H VAL A 509 4.680 -4.388 0.727 1.00 0.00 H new ATOM 0 HA VAL A 509 3.775 -7.029 1.373 1.00 0.00 H new ATOM 0 HB VAL A 509 2.563 -5.018 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 509 1.130 -4.052 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 509 2.867 -3.767 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 509 2.021 -5.023 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 509 0.311 -5.930 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.150 -7.070 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 509 1.376 -7.180 1.733 1.00 0.00 H new ATOM 1123 N ILE A 510 4.449 -6.469 -1.775 1.00 0.00 N ATOM 1124 CA ILE A 510 4.799 -7.200 -3.000 1.00 0.00 C ATOM 1125 C ILE A 510 5.673 -8.415 -2.713 1.00 0.00 C ATOM 1126 O ILE A 510 5.392 -9.495 -3.221 1.00 0.00 O ATOM 1127 CB ILE A 510 5.372 -6.319 -4.099 1.00 0.00 C ATOM 1128 CG1 ILE A 510 4.230 -5.369 -4.529 1.00 0.00 C ATOM 1129 CG2 ILE A 510 5.912 -7.121 -5.301 1.00 0.00 C ATOM 1130 CD1 ILE A 510 4.609 -4.403 -5.642 1.00 0.00 C ATOM 0 H ILE A 510 4.734 -5.490 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 510 3.854 -7.571 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 510 6.236 -5.772 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 510 3.379 -5.966 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 510 3.903 -4.796 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 510 6.306 -6.434 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 510 6.707 -7.788 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 510 5.105 -7.709 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 510 3.753 -3.773 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 510 5.439 -3.777 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 510 4.907 -4.966 -6.527 1.00 0.00 H new ATOM 1142 N ASP A 511 6.652 -8.302 -1.817 1.00 0.00 N ATOM 1143 CA ASP A 511 7.604 -9.363 -1.431 1.00 0.00 C ATOM 1144 C ASP A 511 7.062 -10.442 -0.539 1.00 0.00 C ATOM 1145 O ASP A 511 7.763 -11.232 0.091 1.00 0.00 O ATOM 1146 CB ASP A 511 8.782 -8.706 -0.742 1.00 0.00 C ATOM 1147 CG ASP A 511 10.092 -9.513 -0.752 1.00 0.00 C ATOM 1148 OD1 ASP A 511 10.436 -10.093 -1.810 1.00 0.00 O ATOM 1149 OD2 ASP A 511 10.806 -9.532 0.279 1.00 0.00 O ATOM 0 H ASP A 511 6.818 -7.431 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 511 7.872 -9.872 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 511 8.966 -7.742 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 511 8.508 -8.504 0.294 1.00 0.00 H new ATOM 1154 N TYR A 512 5.758 -10.431 -0.543 1.00 0.00 N ATOM 1155 CA TYR A 512 4.897 -11.084 0.366 1.00 0.00 C ATOM 1156 C TYR A 512 3.643 -11.541 -0.376 1.00 0.00 C ATOM 1157 O TYR A 512 3.074 -12.566 -0.047 1.00 0.00 O ATOM 1158 CB TYR A 512 4.543 -10.037 1.413 1.00 0.00 C ATOM 1159 CG TYR A 512 5.211 -9.951 2.768 1.00 0.00 C ATOM 1160 CD1 TYR A 512 6.478 -9.347 2.858 1.00 0.00 C ATOM 1161 CD2 TYR A 512 4.519 -10.281 3.944 1.00 0.00 C ATOM 1162 CE1 TYR A 512 7.082 -9.104 4.101 1.00 0.00 C ATOM 1163 CE2 TYR A 512 5.137 -10.098 5.200 1.00 0.00 C ATOM 1164 CZ TYR A 512 6.420 -9.510 5.282 1.00 0.00 C ATOM 1165 OH TYR A 512 6.995 -9.302 6.498 1.00 0.00 O ATOM 0 H TYR A 512 5.238 -9.914 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 512 5.355 -11.962 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 512 4.687 -9.067 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 512 3.475 -10.143 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 512 6.996 -9.065 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 512 3.515 -10.674 3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 512 8.042 -8.612 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 512 4.628 -10.408 6.101 1.00 0.00 H new ATOM 0 HH TYR A 512 6.403 -9.641 7.202 1.00 0.00 H new ATOM 1175 N LYS A 513 3.214 -10.829 -1.420 1.00 0.00 N ATOM 1176 CA LYS A 513 2.041 -11.152 -2.225 1.00 0.00 C ATOM 1177 C LYS A 513 2.467 -11.920 -3.459 1.00 0.00 C ATOM 1178 O LYS A 513 1.906 -12.966 -3.772 1.00 0.00 O ATOM 1179 CB LYS A 513 1.361 -9.813 -2.494 1.00 0.00 C ATOM 1180 CG LYS A 513 0.296 -9.771 -3.579 1.00 0.00 C ATOM 1181 CD LYS A 513 0.907 -9.697 -4.978 1.00 0.00 C ATOM 1182 CE LYS A 513 -0.137 -9.325 -6.029 1.00 0.00 C ATOM 1183 NZ LYS A 513 -1.039 -10.456 -6.375 1.00 0.00 N ATOM 0 H LYS A 513 3.691 -9.985 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 513 1.327 -11.813 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 513 0.906 -9.474 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 513 2.134 -9.089 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 513 -0.333 -10.658 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 513 -0.350 -8.908 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.711 -8.961 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.353 -10.658 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 513 -0.734 -8.490 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 513 0.369 -8.982 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -1.726 -10.146 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 -0.477 -11.245 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 -1.546 -10.769 -5.523 1.00 0.00 H new ATOM 1197 N GLU A 514 3.518 -11.436 -4.123 1.00 0.00 N ATOM 1198 CA GLU A 514 4.236 -12.172 -5.159 1.00 0.00 C ATOM 1199 C GLU A 514 4.924 -13.424 -4.563 1.00 0.00 C ATOM 1200 O GLU A 514 5.451 -14.258 -5.303 1.00 0.00 O ATOM 1201 CB GLU A 514 5.249 -11.194 -5.784 1.00 0.00 C ATOM 1202 CG GLU A 514 5.681 -11.608 -7.193 1.00 0.00 C ATOM 1203 CD GLU A 514 6.654 -10.588 -7.813 1.00 0.00 C ATOM 1204 OE1 GLU A 514 7.888 -10.734 -7.637 1.00 0.00 O ATOM 1205 OE2 GLU A 514 6.193 -9.649 -8.508 1.00 0.00 O ATOM 0 H GLU A 514 3.899 -10.505 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 514 3.556 -12.540 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 514 4.809 -10.197 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 514 6.128 -11.130 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 514 6.157 -12.588 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 514 4.801 -11.705 -7.829 1.00 0.00 H new ATOM 1212 N ARG A 515 4.921 -13.563 -3.220 1.00 0.00 N ATOM 1213 CA ARG A 515 5.579 -14.668 -2.479 1.00 0.00 C ATOM 1214 C ARG A 515 4.593 -15.636 -1.858 1.00 0.00 C ATOM 1215 O ARG A 515 4.721 -16.833 -2.105 1.00 0.00 O ATOM 1216 CB ARG A 515 6.557 -14.166 -1.408 1.00 0.00 C ATOM 1217 CG ARG A 515 7.937 -13.789 -1.960 1.00 0.00 C ATOM 1218 CD ARG A 515 7.816 -12.724 -3.045 1.00 0.00 C ATOM 1219 NE ARG A 515 9.091 -12.038 -3.275 1.00 0.00 N ATOM 1220 CZ ARG A 515 9.815 -11.951 -4.372 1.00 0.00 C ATOM 1221 NH1 ARG A 515 9.529 -12.593 -5.468 1.00 0.00 N ATOM 1222 NH2 ARG A 515 10.861 -11.182 -4.353 1.00 0.00 N ATOM 0 H ARG A 515 4.452 -12.898 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 515 6.148 -15.207 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 515 6.124 -13.297 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 515 6.678 -14.939 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 515 8.568 -13.420 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 515 8.425 -14.675 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 515 7.479 -13.186 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 515 7.058 -11.996 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 515 9.476 -11.555 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 515 8.710 -13.199 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 515 10.124 -12.490 -6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 515 11.101 -10.668 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 515 11.443 -11.092 -5.186 1.00 0.00 H new ATOM 1236 N ASP A 516 3.664 -15.099 -1.062 1.00 0.00 N ATOM 1237 CA ASP A 516 2.478 -15.731 -0.442 1.00 0.00 C ATOM 1238 C ASP A 516 2.635 -15.831 1.092 1.00 0.00 C ATOM 1239 O ASP A 516 2.631 -16.896 1.715 1.00 0.00 O ATOM 1240 CB ASP A 516 2.072 -17.049 -1.113 1.00 0.00 C ATOM 1241 CG ASP A 516 0.691 -17.579 -0.701 1.00 0.00 C ATOM 1242 OD1 ASP A 516 -0.063 -16.903 0.034 1.00 0.00 O ATOM 1243 OD2 ASP A 516 0.299 -18.656 -1.210 1.00 0.00 O ATOM 0 H ASP A 516 3.722 -14.114 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 516 1.630 -15.071 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 516 2.085 -16.910 -2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 516 2.821 -17.806 -0.880 1.00 0.00 H new ATOM 1248 N LEU A 517 2.837 -14.649 1.668 1.00 0.00 N ATOM 1249 CA LEU A 517 3.169 -14.277 3.047 1.00 0.00 C ATOM 1250 C LEU A 517 1.990 -13.549 3.728 1.00 0.00 C ATOM 1251 O LEU A 517 1.912 -13.500 4.957 1.00 0.00 O ATOM 1252 CB LEU A 517 4.416 -13.377 2.942 1.00 0.00 C ATOM 1253 CG LEU A 517 5.665 -14.042 2.323 1.00 0.00 C ATOM 1254 CD1 LEU A 517 6.937 -13.263 2.660 1.00 0.00 C ATOM 1255 CD2 LEU A 517 5.928 -15.485 2.755 1.00 0.00 C ATOM 0 H LEU A 517 2.761 -13.807 1.097 1.00 0.00 H new ATOM 0 HA LEU A 517 3.367 -15.152 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 517 4.161 -12.500 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 517 4.672 -13.022 3.940 1.00 0.00 H new ATOM 0 HG LEU A 517 5.435 -14.038 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 517 7.797 -13.758 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 517 6.856 -12.248 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 517 7.065 -13.226 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 517 6.827 -15.854 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 517 6.065 -15.522 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 517 5.079 -16.109 2.476 1.00 0.00 H new ATOM 1267 N ILE A 518 1.069 -13.003 2.922 1.00 0.00 N ATOM 1268 CA ILE A 518 -0.261 -12.492 3.311 1.00 0.00 C ATOM 1269 C ILE A 518 -1.154 -13.652 3.850 1.00 0.00 C ATOM 1270 O ILE A 518 -0.728 -14.804 3.953 1.00 0.00 O ATOM 1271 CB ILE A 518 -0.945 -11.779 2.109 1.00 0.00 C ATOM 1272 CG1 ILE A 518 -0.033 -11.114 1.061 1.00 0.00 C ATOM 1273 CG2 ILE A 518 -1.974 -10.714 2.529 1.00 0.00 C ATOM 1274 CD1 ILE A 518 0.844 -9.980 1.593 1.00 0.00 C ATOM 0 H ILE A 518 1.238 -12.898 1.922 1.00 0.00 H new ATOM 0 HA ILE A 518 -0.132 -11.762 4.110 1.00 0.00 H new ATOM 0 HB ILE A 518 -1.416 -12.641 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 518 0.611 -11.878 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 518 -0.655 -10.724 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 518 -2.410 -10.259 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 518 -2.761 -11.182 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 518 -1.480 -9.946 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 518 1.449 -9.576 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 518 0.211 -9.192 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 518 1.498 -10.363 2.377 1.00 0.00 H new ATOM 1286 N ASP A 519 -2.418 -13.372 4.179 1.00 0.00 N ATOM 1287 CA ASP A 519 -3.347 -14.263 4.895 1.00 0.00 C ATOM 1288 C ASP A 519 -4.345 -15.020 4.010 1.00 0.00 C ATOM 1289 O ASP A 519 -5.186 -15.756 4.527 1.00 0.00 O ATOM 1290 CB ASP A 519 -4.110 -13.425 5.938 1.00 0.00 C ATOM 1291 CG ASP A 519 -4.535 -14.237 7.177 1.00 0.00 C ATOM 1292 OD1 ASP A 519 -3.681 -14.936 7.775 1.00 0.00 O ATOM 1293 OD2 ASP A 519 -5.716 -14.138 7.588 1.00 0.00 O ATOM 0 H ASP A 519 -2.846 -12.476 3.944 1.00 0.00 H new ATOM 0 HA ASP A 519 -2.736 -15.041 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 519 -3.482 -12.592 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 519 -4.997 -12.996 5.471 1.00 0.00 H new ATOM 1298 N ARG A 520 -4.297 -14.820 2.684 1.00 0.00 N ATOM 1299 CA ARG A 520 -5.196 -15.379 1.658 1.00 0.00 C ATOM 1300 C ARG A 520 -6.682 -15.012 1.772 1.00 0.00 C ATOM 1301 O ARG A 520 -7.439 -15.217 0.826 1.00 0.00 O ATOM 1302 CB ARG A 520 -4.893 -16.874 1.501 1.00 0.00 C ATOM 1303 CG ARG A 520 -3.585 -17.130 0.752 1.00 0.00 C ATOM 1304 CD ARG A 520 -3.600 -16.551 -0.663 1.00 0.00 C ATOM 1305 NE ARG A 520 -2.501 -17.118 -1.442 1.00 0.00 N ATOM 1306 CZ ARG A 520 -2.390 -17.213 -2.752 1.00 0.00 C ATOM 1307 NH1 ARG A 520 -3.265 -16.695 -3.567 1.00 0.00 N ATOM 1308 NH2 ARG A 520 -1.381 -17.848 -3.267 1.00 0.00 N ATOM 0 H ARG A 520 -3.581 -14.223 2.270 1.00 0.00 H new ATOM 0 HA ARG A 520 -4.970 -14.877 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 520 -4.840 -17.336 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 520 -5.714 -17.354 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 520 -2.758 -16.693 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 520 -3.403 -18.204 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 520 -4.552 -16.772 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 520 -3.507 -15.466 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 520 -1.719 -17.488 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 520 -4.073 -16.194 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 520 -3.142 -16.791 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 520 -0.680 -18.270 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 520 -1.290 -17.925 -4.280 1.00 0.00 H new ATOM 1322 N SER A 521 -7.050 -14.320 2.845 1.00 0.00 N ATOM 1323 CA SER A 521 -8.326 -13.614 3.040 1.00 0.00 C ATOM 1324 C SER A 521 -8.201 -12.119 2.695 1.00 0.00 C ATOM 1325 O SER A 521 -9.173 -11.366 2.771 1.00 0.00 O ATOM 1326 CB SER A 521 -8.811 -13.767 4.488 1.00 0.00 C ATOM 1327 OG SER A 521 -9.014 -15.138 4.801 1.00 0.00 O ATOM 0 H SER A 521 -6.435 -14.227 3.653 1.00 0.00 H new ATOM 0 HA SER A 521 -9.054 -14.065 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 521 -8.079 -13.336 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 521 -9.740 -13.214 4.627 1.00 0.00 H new ATOM 0 HG SER A 521 -9.321 -15.220 5.728 1.00 0.00 H new ATOM 1333 N ALA A 522 -6.997 -11.677 2.301 1.00 0.00 N ATOM 1334 CA ALA A 522 -6.713 -10.316 1.839 1.00 0.00 C ATOM 1335 C ALA A 522 -7.087 -10.157 0.364 1.00 0.00 C ATOM 1336 O ALA A 522 -7.395 -9.072 -0.111 1.00 0.00 O ATOM 1337 CB ALA A 522 -5.219 -10.052 2.017 1.00 0.00 C ATOM 0 H ALA A 522 -6.172 -12.277 2.296 1.00 0.00 H new ATOM 0 HA ALA A 522 -7.301 -9.605 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 522 -4.985 -9.043 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 522 -4.955 -10.152 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 522 -4.650 -10.773 1.430 1.00 0.00 H new ATOM 1343 N TYR A 523 -7.059 -11.265 -0.356 1.00 0.00 N ATOM 1344 CA TYR A 523 -7.358 -11.411 -1.763 1.00 0.00 C ATOM 1345 C TYR A 523 -8.872 -11.267 -2.066 1.00 0.00 C ATOM 1346 O TYR A 523 -9.672 -11.042 -1.123 1.00 0.00 O ATOM 1347 CB TYR A 523 -6.785 -12.796 -2.108 1.00 0.00 C ATOM 1348 CG TYR A 523 -5.267 -12.874 -2.203 1.00 0.00 C ATOM 1349 CD1 TYR A 523 -4.482 -12.914 -1.033 1.00 0.00 C ATOM 1350 CD2 TYR A 523 -4.632 -12.942 -3.460 1.00 0.00 C ATOM 1351 CE1 TYR A 523 -3.083 -13.005 -1.115 1.00 0.00 C ATOM 1352 CE2 TYR A 523 -3.227 -13.048 -3.546 1.00 0.00 C ATOM 1353 CZ TYR A 523 -2.445 -13.075 -2.369 1.00 0.00 C ATOM 1354 OH TYR A 523 -1.092 -13.191 -2.426 1.00 0.00 O ATOM 1355 OXT TYR A 523 -9.251 -11.351 -3.256 1.00 0.00 O ATOM 0 H TYR A 523 -6.805 -12.157 0.067 1.00 0.00 H new ATOM 0 HA TYR A 523 -6.917 -10.626 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 523 -7.121 -13.507 -1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 523 -7.208 -13.118 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 523 -4.960 -12.874 -0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 523 -5.224 -12.913 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 523 -2.492 -13.021 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 523 -2.749 -13.109 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 523 -0.806 -13.228 -3.363 1.00 0.00 H new TER 1365 TYR A 523