USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 1 ALA N :NH3+ -120:sc= 0.123 (180deg=0) USER MOD Single : A 2 MET CE :methyl -166:sc=-0.00624 (180deg=-0.233) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.105 (180deg=-0.521) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 0.947 (180deg=0.41) USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= 0.847 (180deg=-0.143) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0214 (180deg=-0.235) USER MOD Single : A 44 SER OG : rot -110:sc= -1.28 USER MOD Single : A 50 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-7.4!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.276 F(o=-1.2,f=-0.28) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc=-0.00633 (180deg=-0.0659) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.299 -2.345 -1.215 1.00 0.00 N ATOM 2 CA ALA A 1 2.557 -0.938 -0.824 1.00 0.00 C ATOM 3 C ALA A 1 1.415 -0.037 -1.266 1.00 0.00 C ATOM 4 O ALA A 1 0.455 -0.501 -1.882 1.00 0.00 O ATOM 5 CB ALA A 1 3.868 -0.459 -1.429 1.00 0.00 C ATOM 0 H1 ALA A 1 2.272 -2.942 -0.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.386 -2.406 -1.710 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.057 -2.675 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 1 2.629 -0.891 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.048 0.575 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.685 -1.085 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.812 -0.523 -2.516 1.00 0.00 H new ATOM 13 N MET A 2 1.536 1.250 -0.939 1.00 0.00 N ATOM 14 CA MET A 2 0.530 2.259 -1.276 1.00 0.00 C ATOM 15 C MET A 2 -0.828 1.897 -0.687 1.00 0.00 C ATOM 16 O MET A 2 -1.076 2.119 0.497 1.00 0.00 O ATOM 17 CB MET A 2 0.406 2.459 -2.793 1.00 0.00 C ATOM 18 CG MET A 2 1.704 2.854 -3.476 1.00 0.00 C ATOM 19 SD MET A 2 1.433 3.626 -5.087 1.00 0.00 S ATOM 20 CE MET A 2 0.365 2.428 -5.883 1.00 0.00 C ATOM 0 H MET A 2 2.338 1.624 -0.431 1.00 0.00 H new ATOM 0 HA MET A 2 0.866 3.199 -0.838 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.039 1.536 -3.241 1.00 0.00 H new ATOM 0 HB3 MET A 2 -0.342 3.227 -2.987 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.253 3.543 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.328 1.969 -3.601 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.316 2.637 -6.952 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.763 1.425 -5.728 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.635 2.491 -5.455 1.00 0.00 H new ATOM 30 N GLY A 3 -1.708 1.349 -1.513 1.00 0.00 N ATOM 31 CA GLY A 3 -3.023 0.985 -1.040 1.00 0.00 C ATOM 32 C GLY A 3 -4.086 1.237 -2.070 1.00 0.00 C ATOM 33 O GLY A 3 -3.786 1.669 -3.182 1.00 0.00 O ATOM 0 H GLY A 3 -1.533 1.152 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.029 -0.070 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.252 1.552 -0.137 1.00 0.00 H new ATOM 37 N LYS A 4 -5.336 0.991 -1.691 1.00 0.00 N ATOM 38 CA LYS A 4 -6.471 1.217 -2.578 1.00 0.00 C ATOM 39 C LYS A 4 -6.543 2.696 -2.932 1.00 0.00 C ATOM 40 O LYS A 4 -7.105 3.095 -3.950 1.00 0.00 O ATOM 41 CB LYS A 4 -7.754 0.779 -1.882 1.00 0.00 C ATOM 42 CG LYS A 4 -8.996 0.860 -2.761 1.00 0.00 C ATOM 43 CD LYS A 4 -10.246 0.371 -2.038 1.00 0.00 C ATOM 44 CE LYS A 4 -10.268 -1.144 -1.900 1.00 0.00 C ATOM 45 NZ LYS A 4 -10.246 -1.820 -3.225 1.00 0.00 N ATOM 0 H LYS A 4 -5.589 0.633 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.349 0.636 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.634 -0.247 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.906 1.399 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.144 1.891 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.842 0.264 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.294 0.826 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.132 0.698 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.409 -1.468 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.161 -1.446 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.612 -2.789 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.841 -1.291 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.270 -1.853 -3.582 1.00 0.00 H new ATOM 59 N CYS A 5 -5.933 3.489 -2.070 1.00 0.00 N ATOM 60 CA CYS A 5 -5.857 4.923 -2.230 1.00 0.00 C ATOM 61 C CYS A 5 -4.847 5.286 -3.318 1.00 0.00 C ATOM 62 O CYS A 5 -3.661 5.461 -3.031 1.00 0.00 O ATOM 63 CB CYS A 5 -5.426 5.547 -0.908 1.00 0.00 C ATOM 64 SG CYS A 5 -6.781 6.157 0.160 1.00 0.00 S ATOM 0 H CYS A 5 -5.471 3.146 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.836 5.303 -2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.852 4.808 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.754 6.378 -1.122 1.00 0.00 H new ATOM 69 N SER A 6 -5.320 5.395 -4.557 1.00 0.00 N ATOM 70 CA SER A 6 -4.461 5.739 -5.685 1.00 0.00 C ATOM 71 C SER A 6 -4.066 7.212 -5.645 1.00 0.00 C ATOM 72 O SER A 6 -4.134 7.844 -4.599 1.00 0.00 O ATOM 73 CB SER A 6 -5.167 5.399 -6.999 1.00 0.00 C ATOM 74 OG SER A 6 -5.562 4.035 -7.026 1.00 0.00 O ATOM 0 H SER A 6 -6.299 5.249 -4.805 1.00 0.00 H new ATOM 0 HA SER A 6 -3.545 5.152 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.042 6.037 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.502 5.605 -7.837 1.00 0.00 H new ATOM 0 HG SER A 6 -6.013 3.842 -7.875 1.00 0.00 H new ATOM 80 N VAL A 7 -3.642 7.740 -6.781 1.00 0.00 N ATOM 81 CA VAL A 7 -3.218 9.133 -6.892 1.00 0.00 C ATOM 82 C VAL A 7 -4.236 10.105 -6.292 1.00 0.00 C ATOM 83 O VAL A 7 -3.930 10.851 -5.362 1.00 0.00 O ATOM 84 CB VAL A 7 -2.959 9.485 -8.375 1.00 0.00 C ATOM 85 CG1 VAL A 7 -4.094 8.997 -9.259 1.00 0.00 C ATOM 86 CG2 VAL A 7 -2.733 10.977 -8.564 1.00 0.00 C ATOM 0 H VAL A 7 -3.581 7.218 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.297 9.239 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.047 8.970 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.885 9.258 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.186 7.915 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.026 9.468 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.554 11.187 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.615 11.524 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.868 11.291 -7.980 1.00 0.00 H new ATOM 96 N LEU A 8 -5.436 10.098 -6.840 1.00 0.00 N ATOM 97 CA LEU A 8 -6.492 10.993 -6.371 1.00 0.00 C ATOM 98 C LEU A 8 -7.093 10.510 -5.051 1.00 0.00 C ATOM 99 O LEU A 8 -7.616 11.308 -4.278 1.00 0.00 O ATOM 100 CB LEU A 8 -7.572 11.182 -7.456 1.00 0.00 C ATOM 101 CG LEU A 8 -8.376 9.938 -7.862 1.00 0.00 C ATOM 102 CD1 LEU A 8 -9.555 9.722 -6.927 1.00 0.00 C ATOM 103 CD2 LEU A 8 -8.861 10.057 -9.302 1.00 0.00 C ATOM 0 H LEU A 8 -5.710 9.486 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.044 11.967 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.273 11.940 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.090 11.580 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.716 9.074 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.107 8.835 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.191 9.586 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.213 10.590 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.428 9.166 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.498 10.936 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.004 10.155 -9.968 1.00 0.00 H new ATOM 115 N LYS A 9 -7.003 9.210 -4.772 1.00 0.00 N ATOM 116 CA LYS A 9 -7.529 8.681 -3.528 1.00 0.00 C ATOM 117 C LYS A 9 -6.545 8.923 -2.388 1.00 0.00 C ATOM 118 O LYS A 9 -6.891 8.788 -1.218 1.00 0.00 O ATOM 119 CB LYS A 9 -7.877 7.201 -3.664 1.00 0.00 C ATOM 120 CG LYS A 9 -9.121 6.950 -4.508 1.00 0.00 C ATOM 121 CD LYS A 9 -9.771 5.613 -4.178 1.00 0.00 C ATOM 122 CE LYS A 9 -11.105 5.453 -4.901 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.819 4.205 -4.517 1.00 0.00 N ATOM 0 H LYS A 9 -6.575 8.517 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.453 9.210 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.032 6.676 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.028 6.778 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.839 7.753 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.854 6.973 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.102 4.801 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.927 5.537 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.739 6.312 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.933 5.452 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.421 3.893 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.125 3.462 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.411 4.387 -3.681 1.00 0.00 H new ATOM 137 N LYS A 10 -5.331 9.337 -2.738 1.00 0.00 N ATOM 138 CA LYS A 10 -4.310 9.665 -1.749 1.00 0.00 C ATOM 139 C LYS A 10 -4.714 10.976 -1.073 1.00 0.00 C ATOM 140 O LYS A 10 -4.264 11.310 0.024 1.00 0.00 O ATOM 141 CB LYS A 10 -2.933 9.786 -2.429 1.00 0.00 C ATOM 142 CG LYS A 10 -1.829 10.345 -1.537 1.00 0.00 C ATOM 143 CD LYS A 10 -1.478 9.424 -0.371 1.00 0.00 C ATOM 144 CE LYS A 10 -0.691 8.196 -0.821 1.00 0.00 C ATOM 145 NZ LYS A 10 0.025 7.547 0.314 1.00 0.00 N ATOM 0 H LYS A 10 -5.029 9.454 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.232 8.878 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.631 8.801 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.031 10.425 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.936 10.517 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.141 11.313 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.894 9.978 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.394 9.104 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.370 7.478 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.029 8.487 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.967 7.239 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.126 8.226 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.518 6.722 0.641 1.00 0.00 H new ATOM 159 N VAL A 11 -5.610 11.688 -1.741 1.00 0.00 N ATOM 160 CA VAL A 11 -6.148 12.934 -1.250 1.00 0.00 C ATOM 161 C VAL A 11 -7.402 12.629 -0.433 1.00 0.00 C ATOM 162 O VAL A 11 -7.812 13.392 0.443 1.00 0.00 O ATOM 163 CB VAL A 11 -6.481 13.846 -2.458 1.00 0.00 C ATOM 164 CG1 VAL A 11 -7.978 13.992 -2.687 1.00 0.00 C ATOM 165 CG2 VAL A 11 -5.821 15.198 -2.324 1.00 0.00 C ATOM 0 H VAL A 11 -5.983 11.408 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.428 13.449 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.073 13.351 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.153 14.641 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.414 13.012 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.441 14.428 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.074 15.814 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.172 15.686 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.740 15.072 -2.273 1.00 0.00 H new ATOM 175 N ALA A 12 -8.004 11.491 -0.761 1.00 0.00 N ATOM 176 CA ALA A 12 -9.227 11.034 -0.117 1.00 0.00 C ATOM 177 C ALA A 12 -8.984 10.277 1.187 1.00 0.00 C ATOM 178 O ALA A 12 -9.898 10.178 2.004 1.00 0.00 O ATOM 179 CB ALA A 12 -10.040 10.167 -1.066 1.00 0.00 C ATOM 0 H ALA A 12 -7.656 10.859 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.784 11.935 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.950 9.835 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.303 10.745 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.451 9.299 -1.361 1.00 0.00 H new ATOM 185 N CYS A 13 -7.779 9.736 1.412 1.00 0.00 N ATOM 186 CA CYS A 13 -7.538 9.012 2.665 1.00 0.00 C ATOM 187 C CYS A 13 -7.558 9.966 3.842 1.00 0.00 C ATOM 188 O CYS A 13 -7.684 9.541 4.983 1.00 0.00 O ATOM 189 CB CYS A 13 -6.246 8.181 2.675 1.00 0.00 C ATOM 190 SG CYS A 13 -4.861 8.834 1.695 1.00 0.00 S ATOM 0 H CYS A 13 -6.986 9.782 0.772 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.355 8.295 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.915 8.076 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.480 7.180 2.312 1.00 0.00 H new ATOM 195 N ALA A 14 -7.479 11.257 3.561 1.00 0.00 N ATOM 196 CA ALA A 14 -7.539 12.247 4.613 1.00 0.00 C ATOM 197 C ALA A 14 -8.987 12.401 5.050 1.00 0.00 C ATOM 198 O ALA A 14 -9.298 12.417 6.233 1.00 0.00 O ATOM 199 CB ALA A 14 -6.962 13.577 4.148 1.00 0.00 C ATOM 0 H ALA A 14 -7.374 11.637 2.620 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.935 11.918 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.020 14.302 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.920 13.440 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.532 13.942 3.293 1.00 0.00 H new ATOM 205 N ALA A 15 -9.887 12.475 4.084 1.00 0.00 N ATOM 206 CA ALA A 15 -11.300 12.582 4.403 1.00 0.00 C ATOM 207 C ALA A 15 -11.774 11.300 5.067 1.00 0.00 C ATOM 208 O ALA A 15 -12.722 11.297 5.849 1.00 0.00 O ATOM 209 CB ALA A 15 -12.121 12.866 3.156 1.00 0.00 C ATOM 0 H ALA A 15 -9.669 12.463 3.088 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.438 13.416 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.175 12.941 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.792 13.804 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.986 12.056 2.439 1.00 0.00 H new ATOM 215 N ALA A 16 -11.096 10.212 4.739 1.00 0.00 N ATOM 216 CA ALA A 16 -11.420 8.913 5.283 1.00 0.00 C ATOM 217 C ALA A 16 -10.809 8.702 6.664 1.00 0.00 C ATOM 218 O ALA A 16 -11.523 8.394 7.619 1.00 0.00 O ATOM 219 CB ALA A 16 -10.954 7.817 4.335 1.00 0.00 C ATOM 0 H ALA A 16 -10.309 10.209 4.090 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.504 8.866 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.203 6.842 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.450 7.934 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.875 7.888 4.199 1.00 0.00 H new ATOM 225 N ILE A 17 -9.482 8.807 6.767 1.00 0.00 N ATOM 226 CA ILE A 17 -8.814 8.561 8.030 1.00 0.00 C ATOM 227 C ILE A 17 -8.482 9.827 8.832 1.00 0.00 C ATOM 228 O ILE A 17 -8.636 9.819 10.046 1.00 0.00 O ATOM 229 CB ILE A 17 -7.560 7.668 7.842 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.380 6.823 9.067 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.279 8.444 7.633 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.960 7.624 10.261 1.00 0.00 C ATOM 0 H ILE A 17 -8.862 9.058 5.997 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.542 8.021 8.636 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.738 7.078 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.315 6.308 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.633 6.055 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.449 7.749 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.370 9.063 6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.094 9.080 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.844 6.963 11.120 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.011 8.118 10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.719 8.375 10.481 1.00 0.00 H new ATOM 244 N ALA A 18 -8.029 10.901 8.203 1.00 0.00 N ATOM 245 CA ALA A 18 -7.707 12.124 8.966 1.00 0.00 C ATOM 246 C ALA A 18 -8.897 12.533 9.841 1.00 0.00 C ATOM 247 O ALA A 18 -8.733 13.144 10.896 1.00 0.00 O ATOM 248 CB ALA A 18 -7.295 13.261 8.051 1.00 0.00 C ATOM 0 H ALA A 18 -7.875 10.964 7.197 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.857 11.902 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.066 14.144 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.412 12.969 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.110 13.489 7.364 1.00 0.00 H new ATOM 254 N GLY A 19 -10.091 12.136 9.410 1.00 0.00 N ATOM 255 CA GLY A 19 -11.297 12.401 10.170 1.00 0.00 C ATOM 256 C GLY A 19 -11.509 11.349 11.257 1.00 0.00 C ATOM 257 O GLY A 19 -12.142 11.621 12.277 1.00 0.00 O ATOM 0 H GLY A 19 -10.244 11.630 8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.233 13.390 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.157 12.413 9.500 1.00 0.00 H new ATOM 261 N ALA A 20 -10.958 10.149 11.039 1.00 0.00 N ATOM 262 CA ALA A 20 -11.061 9.053 11.997 1.00 0.00 C ATOM 263 C ALA A 20 -10.117 9.260 13.168 1.00 0.00 C ATOM 264 O ALA A 20 -10.472 8.986 14.310 1.00 0.00 O ATOM 265 CB ALA A 20 -10.781 7.713 11.327 1.00 0.00 C ATOM 0 H ALA A 20 -10.432 9.916 10.197 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.083 9.043 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.864 6.914 12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.504 7.547 10.528 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.774 7.718 10.910 1.00 0.00 H new ATOM 271 N VAL A 21 -8.923 9.768 12.892 1.00 0.00 N ATOM 272 CA VAL A 21 -7.971 10.038 13.960 1.00 0.00 C ATOM 273 C VAL A 21 -8.510 11.174 14.798 1.00 0.00 C ATOM 274 O VAL A 21 -8.429 11.160 16.021 1.00 0.00 O ATOM 275 CB VAL A 21 -6.564 10.418 13.456 1.00 0.00 C ATOM 276 CG1 VAL A 21 -5.938 9.295 12.661 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.577 11.705 12.654 1.00 0.00 C ATOM 0 H VAL A 21 -8.595 9.998 11.954 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.860 9.117 14.533 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.949 10.589 14.339 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.947 9.598 12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.851 8.409 13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.563 9.068 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.566 11.935 12.319 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.228 11.588 11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.946 12.519 13.278 1.00 0.00 H new ATOM 287 N ALA A 22 -9.085 12.141 14.101 1.00 0.00 N ATOM 288 CA ALA A 22 -9.696 13.306 14.713 1.00 0.00 C ATOM 289 C ALA A 22 -10.796 12.872 15.666 1.00 0.00 C ATOM 290 O ALA A 22 -11.145 13.592 16.600 1.00 0.00 O ATOM 291 CB ALA A 22 -10.259 14.224 13.638 1.00 0.00 C ATOM 0 H ALA A 22 -9.140 12.137 13.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.939 13.852 15.276 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.716 15.096 14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.454 14.547 12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.011 13.688 13.059 1.00 0.00 H new ATOM 297 N ALA A 23 -11.329 11.671 15.433 1.00 0.00 N ATOM 298 CA ALA A 23 -12.371 11.133 16.284 1.00 0.00 C ATOM 299 C ALA A 23 -11.814 10.778 17.662 1.00 0.00 C ATOM 300 O ALA A 23 -12.554 10.768 18.645 1.00 0.00 O ATOM 301 CB ALA A 23 -13.026 9.916 15.637 1.00 0.00 C ATOM 0 H ALA A 23 -11.052 11.061 14.664 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.134 11.901 16.412 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.805 9.530 16.294 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.467 10.204 14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.275 9.144 15.471 1.00 0.00 H new ATOM 307 N CYS A 24 -10.510 10.490 17.753 1.00 0.00 N ATOM 308 CA CYS A 24 -9.930 10.147 19.045 1.00 0.00 C ATOM 309 C CYS A 24 -8.804 11.080 19.487 1.00 0.00 C ATOM 310 O CYS A 24 -8.547 11.191 20.684 1.00 0.00 O ATOM 311 CB CYS A 24 -9.503 8.677 19.109 1.00 0.00 C ATOM 312 SG CYS A 24 -8.214 8.111 17.979 1.00 0.00 S ATOM 0 H CYS A 24 -9.857 10.488 16.969 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.733 10.294 19.767 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.167 8.472 20.126 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.389 8.066 18.936 1.00 0.00 H new ATOM 317 N GLY A 25 -8.140 11.772 18.564 1.00 0.00 N ATOM 318 CA GLY A 25 -7.091 12.678 18.990 1.00 0.00 C ATOM 319 C GLY A 25 -5.828 12.607 18.161 1.00 0.00 C ATOM 320 O GLY A 25 -4.938 13.444 18.317 1.00 0.00 O ATOM 0 H GLY A 25 -8.303 11.724 17.558 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.474 13.698 18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.842 12.462 20.029 1.00 0.00 H new ATOM 324 N GLY A 26 -5.725 11.623 17.287 1.00 0.00 N ATOM 325 CA GLY A 26 -4.531 11.510 16.469 1.00 0.00 C ATOM 326 C GLY A 26 -4.372 10.140 15.869 1.00 0.00 C ATOM 327 O GLY A 26 -5.315 9.348 15.890 1.00 0.00 O ATOM 0 H GLY A 26 -6.434 10.907 17.127 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.570 12.251 15.670 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.655 11.741 17.076 1.00 0.00 H new ATOM 331 N ILE A 27 -3.189 9.862 15.322 1.00 0.00 N ATOM 332 CA ILE A 27 -2.919 8.573 14.701 1.00 0.00 C ATOM 333 C ILE A 27 -2.837 7.454 15.741 1.00 0.00 C ATOM 334 O ILE A 27 -1.769 6.932 16.078 1.00 0.00 O ATOM 335 CB ILE A 27 -1.649 8.610 13.800 1.00 0.00 C ATOM 336 CG1 ILE A 27 -1.932 9.427 12.545 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.226 7.206 13.378 1.00 0.00 C ATOM 338 CD1 ILE A 27 -2.820 8.687 11.566 1.00 0.00 C ATOM 0 H ILE A 27 -2.405 10.514 15.298 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.764 8.353 14.048 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.845 9.063 14.380 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.408 10.367 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.990 9.680 12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.337 7.267 12.750 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.004 6.611 14.264 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.034 6.736 12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.993 9.310 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.334 7.760 11.263 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.774 8.458 12.041 1.00 0.00 H new ATOM 350 N ASP A 28 -4.000 7.064 16.207 1.00 0.00 N ATOM 351 CA ASP A 28 -4.149 5.981 17.127 1.00 0.00 C ATOM 352 C ASP A 28 -4.655 4.865 16.248 1.00 0.00 C ATOM 353 O ASP A 28 -5.857 4.720 16.073 1.00 0.00 O ATOM 354 CB ASP A 28 -5.177 6.326 18.207 1.00 0.00 C ATOM 355 CG ASP A 28 -4.786 7.497 19.087 1.00 0.00 C ATOM 356 OD1 ASP A 28 -3.723 8.100 18.854 1.00 0.00 O ATOM 357 OD2 ASP A 28 -5.551 7.816 20.019 1.00 0.00 O ATOM 0 H ASP A 28 -4.882 7.505 15.947 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.230 5.733 17.658 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.130 6.549 17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.334 5.450 18.836 1.00 0.00 H new ATOM 362 N LEU A 29 -3.745 4.159 15.592 1.00 0.00 N ATOM 363 CA LEU A 29 -4.122 3.156 14.625 1.00 0.00 C ATOM 364 C LEU A 29 -5.199 2.167 15.098 1.00 0.00 C ATOM 365 O LEU A 29 -6.129 1.903 14.336 1.00 0.00 O ATOM 366 CB LEU A 29 -2.894 2.472 13.983 1.00 0.00 C ATOM 367 CG LEU A 29 -1.717 2.065 14.891 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.745 1.187 14.118 1.00 0.00 C ATOM 369 CD2 LEU A 29 -0.960 3.281 15.403 1.00 0.00 C ATOM 0 H LEU A 29 -2.739 4.268 15.717 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.624 3.709 13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.244 1.575 13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.505 3.143 13.217 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.133 1.523 15.740 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.084 0.904 14.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.260 0.290 13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.362 1.737 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.137 2.956 16.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.564 3.845 14.559 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.635 3.914 15.978 1.00 0.00 H new ATOM 381 N PRO A 30 -5.159 1.630 16.338 1.00 0.00 N ATOM 382 CA PRO A 30 -6.224 0.727 16.799 1.00 0.00 C ATOM 383 C PRO A 30 -7.555 1.474 16.949 1.00 0.00 C ATOM 384 O PRO A 30 -8.633 0.885 16.884 1.00 0.00 O ATOM 385 CB PRO A 30 -5.725 0.239 18.160 1.00 0.00 C ATOM 386 CG PRO A 30 -4.770 1.289 18.625 1.00 0.00 C ATOM 387 CD PRO A 30 -4.140 1.864 17.386 1.00 0.00 C ATOM 0 HA PRO A 30 -6.414 -0.086 16.098 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.550 0.118 18.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.234 -0.730 18.075 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.288 2.062 19.193 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.014 0.863 19.284 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.921 2.925 17.503 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.199 1.369 17.148 1.00 0.00 H new ATOM 395 N CYS A 31 -7.452 2.782 17.161 1.00 0.00 N ATOM 396 CA CYS A 31 -8.598 3.657 17.337 1.00 0.00 C ATOM 397 C CYS A 31 -9.300 4.012 16.042 1.00 0.00 C ATOM 398 O CYS A 31 -10.503 3.797 15.876 1.00 0.00 O ATOM 399 CB CYS A 31 -8.139 4.988 17.935 1.00 0.00 C ATOM 400 SG CYS A 31 -9.133 6.414 17.347 1.00 0.00 S ATOM 0 H CYS A 31 -6.557 3.267 17.216 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.285 3.106 17.979 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.200 4.933 19.022 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.092 5.152 17.682 1.00 0.00 H new ATOM 405 N VAL A 32 -8.551 4.678 15.184 1.00 0.00 N ATOM 406 CA VAL A 32 -9.091 5.215 13.954 1.00 0.00 C ATOM 407 C VAL A 32 -9.593 4.149 13.017 1.00 0.00 C ATOM 408 O VAL A 32 -10.599 4.353 12.365 1.00 0.00 O ATOM 409 CB VAL A 32 -8.052 6.109 13.247 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.115 6.725 14.274 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.310 5.349 12.179 1.00 0.00 C ATOM 0 H VAL A 32 -7.557 4.860 15.321 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.954 5.819 14.233 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.572 6.921 12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.384 7.355 13.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.691 7.329 14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.598 5.933 14.816 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.586 6.008 11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.790 4.504 12.629 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.017 4.985 11.434 1.00 0.00 H new ATOM 421 N LEU A 33 -8.894 3.028 12.923 1.00 0.00 N ATOM 422 CA LEU A 33 -9.302 1.988 12.007 1.00 0.00 C ATOM 423 C LEU A 33 -10.585 1.306 12.456 1.00 0.00 C ATOM 424 O LEU A 33 -11.252 0.660 11.658 1.00 0.00 O ATOM 425 CB LEU A 33 -8.174 0.988 11.791 1.00 0.00 C ATOM 426 CG LEU A 33 -8.336 0.133 10.542 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.014 -0.005 9.806 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.890 -1.222 10.920 1.00 0.00 C ATOM 0 H LEU A 33 -8.054 2.822 13.464 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.521 2.457 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.230 1.529 11.729 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.110 0.334 12.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.038 0.623 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.155 -0.620 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.657 0.982 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.281 -0.476 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.005 -1.831 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.205 -1.716 11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.860 -1.097 11.400 1.00 0.00 H new ATOM 440 N ALA A 34 -10.964 1.483 13.715 1.00 0.00 N ATOM 441 CA ALA A 34 -12.205 0.899 14.202 1.00 0.00 C ATOM 442 C ALA A 34 -13.392 1.566 13.519 1.00 0.00 C ATOM 443 O ALA A 34 -14.439 0.953 13.317 1.00 0.00 O ATOM 444 CB ALA A 34 -12.316 1.038 15.711 1.00 0.00 C ATOM 0 H ALA A 34 -10.439 2.017 14.407 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.205 -0.164 13.962 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.252 0.594 16.049 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.479 0.526 16.186 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.297 2.094 15.982 1.00 0.00 H new ATOM 450 N ALA A 35 -13.198 2.825 13.146 1.00 0.00 N ATOM 451 CA ALA A 35 -14.218 3.603 12.456 1.00 0.00 C ATOM 452 C ALA A 35 -13.835 3.763 10.993 1.00 0.00 C ATOM 453 O ALA A 35 -14.687 3.788 10.108 1.00 0.00 O ATOM 454 CB ALA A 35 -14.370 4.967 13.099 1.00 0.00 C ATOM 0 H ALA A 35 -12.330 3.334 13.313 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.170 3.077 12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.136 5.535 12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.662 4.847 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.422 5.502 13.047 1.00 0.00 H new ATOM 460 N LEU A 36 -12.529 3.864 10.757 1.00 0.00 N ATOM 461 CA LEU A 36 -11.986 4.011 9.420 1.00 0.00 C ATOM 462 C LEU A 36 -12.216 2.769 8.605 1.00 0.00 C ATOM 463 O LEU A 36 -12.164 2.802 7.380 1.00 0.00 O ATOM 464 CB LEU A 36 -10.473 4.237 9.452 1.00 0.00 C ATOM 465 CG LEU A 36 -9.830 4.117 8.077 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.200 5.300 7.250 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.336 3.986 8.128 1.00 0.00 C ATOM 0 H LEU A 36 -11.822 3.846 11.492 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.494 4.869 8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.266 5.227 9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.016 3.513 10.126 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.210 3.198 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.740 5.214 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.284 5.343 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.848 6.209 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.943 3.905 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.910 4.864 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.068 3.094 8.694 1.00 0.00 H new ATOM 479 N LYS A 37 -12.423 1.654 9.271 1.00 0.00 N ATOM 480 CA LYS A 37 -12.596 0.419 8.545 1.00 0.00 C ATOM 481 C LYS A 37 -13.848 0.477 7.671 1.00 0.00 C ATOM 482 O LYS A 37 -14.025 -0.349 6.776 1.00 0.00 O ATOM 483 CB LYS A 37 -12.664 -0.798 9.476 1.00 0.00 C ATOM 484 CG LYS A 37 -11.549 -1.816 9.268 1.00 0.00 C ATOM 485 CD LYS A 37 -11.268 -2.079 7.797 1.00 0.00 C ATOM 486 CE LYS A 37 -10.186 -3.138 7.614 1.00 0.00 C ATOM 487 NZ LYS A 37 -10.599 -4.459 8.156 1.00 0.00 N ATOM 0 H LYS A 37 -12.474 1.578 10.287 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.718 0.301 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.634 -0.451 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.624 -1.295 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.639 -1.457 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.820 -2.752 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.184 -2.404 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.957 -1.153 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.953 -3.238 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.273 -2.812 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.952 -5.195 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.567 -4.433 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.568 -4.674 7.845 1.00 0.00 H new ATOM 501 N ALA A 38 -14.697 1.483 7.914 1.00 0.00 N ATOM 502 CA ALA A 38 -15.902 1.677 7.122 1.00 0.00 C ATOM 503 C ALA A 38 -15.505 2.031 5.697 1.00 0.00 C ATOM 504 O ALA A 38 -16.297 1.901 4.761 1.00 0.00 O ATOM 505 CB ALA A 38 -16.777 2.766 7.726 1.00 0.00 C ATOM 0 H ALA A 38 -14.565 2.172 8.655 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.484 0.755 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.672 2.893 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.064 2.482 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.222 3.704 7.756 1.00 0.00 H new ATOM 511 N ALA A 39 -14.245 2.443 5.549 1.00 0.00 N ATOM 512 CA ALA A 39 -13.677 2.778 4.257 1.00 0.00 C ATOM 513 C ALA A 39 -13.646 1.531 3.394 1.00 0.00 C ATOM 514 O ALA A 39 -13.522 0.419 3.911 1.00 0.00 O ATOM 515 CB ALA A 39 -12.262 3.344 4.421 1.00 0.00 C ATOM 0 H ALA A 39 -13.595 2.552 6.327 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.292 3.540 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.852 3.589 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.299 4.244 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.627 2.602 4.904 1.00 0.00 H new ATOM 521 N GLU A 40 -13.752 1.704 2.083 1.00 0.00 N ATOM 522 CA GLU A 40 -13.728 0.567 1.168 1.00 0.00 C ATOM 523 C GLU A 40 -12.378 -0.144 1.232 1.00 0.00 C ATOM 524 O GLU A 40 -12.212 -1.249 0.717 1.00 0.00 O ATOM 525 CB GLU A 40 -14.039 1.015 -0.264 1.00 0.00 C ATOM 526 CG GLU A 40 -13.119 2.101 -0.800 1.00 0.00 C ATOM 527 CD GLU A 40 -13.446 2.474 -2.227 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.490 1.569 -3.081 1.00 0.00 O ATOM 529 OE2 GLU A 40 -13.654 3.673 -2.496 1.00 0.00 O ATOM 0 H GLU A 40 -13.855 2.612 1.631 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.501 -0.137 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.980 0.149 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.067 1.376 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.198 2.986 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.085 1.760 -0.743 1.00 0.00 H new ATOM 536 N GLY A 41 -11.422 0.502 1.885 1.00 0.00 N ATOM 537 CA GLY A 41 -10.102 -0.059 2.035 1.00 0.00 C ATOM 538 C GLY A 41 -9.033 0.965 1.766 1.00 0.00 C ATOM 539 O GLY A 41 -8.110 0.713 1.001 1.00 0.00 O ATOM 0 H GLY A 41 -11.544 1.417 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.985 -0.452 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.983 -0.899 1.351 1.00 0.00 H new ATOM 543 N CYS A 42 -9.126 2.122 2.411 1.00 0.00 N ATOM 544 CA CYS A 42 -8.123 3.143 2.212 1.00 0.00 C ATOM 545 C CYS A 42 -7.347 3.330 3.484 1.00 0.00 C ATOM 546 O CYS A 42 -6.575 4.278 3.638 1.00 0.00 O ATOM 547 CB CYS A 42 -8.726 4.452 1.725 1.00 0.00 C ATOM 548 SG CYS A 42 -8.303 4.824 -0.013 1.00 0.00 S ATOM 0 H CYS A 42 -9.872 2.367 3.062 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.444 2.814 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.810 4.408 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.378 5.266 2.361 1.00 0.00 H new ATOM 553 N ALA A 43 -7.522 2.362 4.372 1.00 0.00 N ATOM 554 CA ALA A 43 -6.811 2.325 5.626 1.00 0.00 C ATOM 555 C ALA A 43 -5.351 2.090 5.320 1.00 0.00 C ATOM 556 O ALA A 43 -4.465 2.403 6.109 1.00 0.00 O ATOM 557 CB ALA A 43 -7.357 1.212 6.479 1.00 0.00 C ATOM 0 H ALA A 43 -8.164 1.582 4.236 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.930 3.262 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.820 1.183 7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.417 1.384 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.230 0.261 5.961 1.00 0.00 H new ATOM 563 N SER A 44 -5.139 1.561 4.126 1.00 0.00 N ATOM 564 CA SER A 44 -3.826 1.288 3.593 1.00 0.00 C ATOM 565 C SER A 44 -3.001 2.564 3.586 1.00 0.00 C ATOM 566 O SER A 44 -1.808 2.555 3.851 1.00 0.00 O ATOM 567 CB SER A 44 -4.002 0.784 2.169 1.00 0.00 C ATOM 568 OG SER A 44 -4.765 1.707 1.398 1.00 0.00 O ATOM 0 H SER A 44 -5.895 1.306 3.491 1.00 0.00 H new ATOM 0 HA SER A 44 -3.312 0.545 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.026 0.637 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.499 -0.186 2.180 1.00 0.00 H new ATOM 0 HG SER A 44 -5.644 1.321 1.202 1.00 0.00 H new ATOM 574 N CYS A 45 -3.692 3.656 3.292 1.00 0.00 N ATOM 575 CA CYS A 45 -3.088 4.999 3.246 1.00 0.00 C ATOM 576 C CYS A 45 -2.761 5.462 4.654 1.00 0.00 C ATOM 577 O CYS A 45 -1.804 6.196 4.888 1.00 0.00 O ATOM 578 CB CYS A 45 -4.051 6.007 2.599 1.00 0.00 C ATOM 579 SG CYS A 45 -3.296 7.620 2.180 1.00 0.00 S ATOM 0 H CYS A 45 -4.689 3.646 3.077 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.177 4.944 2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.462 5.566 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.887 6.177 3.277 1.00 0.00 H new ATOM 584 N PHE A 46 -3.584 5.015 5.581 1.00 0.00 N ATOM 585 CA PHE A 46 -3.442 5.348 6.982 1.00 0.00 C ATOM 586 C PHE A 46 -2.236 4.652 7.606 1.00 0.00 C ATOM 587 O PHE A 46 -1.307 5.312 8.064 1.00 0.00 O ATOM 588 CB PHE A 46 -4.734 4.961 7.712 1.00 0.00 C ATOM 589 CG PHE A 46 -4.598 4.756 9.191 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.520 5.822 10.076 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.556 3.472 9.707 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.405 5.614 11.409 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.442 3.263 11.045 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.368 4.331 11.900 1.00 0.00 C ATOM 0 H PHE A 46 -4.377 4.405 5.380 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.270 6.420 7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.478 5.738 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.121 4.044 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.551 6.832 9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.615 2.626 9.038 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.343 6.454 12.085 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.410 2.256 11.434 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.280 4.164 12.963 1.00 0.00 H new ATOM 604 N CYS A 47 -2.271 3.324 7.682 1.00 0.00 N ATOM 605 CA CYS A 47 -1.185 2.590 8.326 1.00 0.00 C ATOM 606 C CYS A 47 -0.026 2.220 7.390 1.00 0.00 C ATOM 607 O CYS A 47 0.615 1.193 7.595 1.00 0.00 O ATOM 608 CB CYS A 47 -1.740 1.332 8.988 1.00 0.00 C ATOM 609 SG CYS A 47 -0.706 0.652 10.320 1.00 0.00 S ATOM 0 H CYS A 47 -3.024 2.743 7.313 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.761 3.267 9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.727 1.556 9.392 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.875 0.566 8.224 1.00 0.00 H new ATOM 614 N GLU A 48 0.281 3.041 6.388 1.00 0.00 N ATOM 615 CA GLU A 48 1.402 2.731 5.509 1.00 0.00 C ATOM 616 C GLU A 48 2.660 3.456 5.986 1.00 0.00 C ATOM 617 O GLU A 48 3.749 3.290 5.430 1.00 0.00 O ATOM 618 CB GLU A 48 1.072 3.075 4.059 1.00 0.00 C ATOM 619 CG GLU A 48 0.980 4.555 3.736 1.00 0.00 C ATOM 620 CD GLU A 48 0.727 4.781 2.260 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.565 4.342 1.446 1.00 0.00 O ATOM 622 OE2 GLU A 48 -0.310 5.384 1.913 1.00 0.00 O ATOM 0 H GLU A 48 -0.217 3.904 6.169 1.00 0.00 H new ATOM 0 HA GLU A 48 1.592 1.659 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.832 2.629 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.122 2.606 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.177 5.007 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.905 5.052 4.029 1.00 0.00 H new ATOM 629 N ASP A 49 2.488 4.249 7.038 1.00 0.00 N ATOM 630 CA ASP A 49 3.577 5.007 7.643 1.00 0.00 C ATOM 631 C ASP A 49 3.945 4.401 8.998 1.00 0.00 C ATOM 632 O ASP A 49 5.076 4.525 9.472 1.00 0.00 O ATOM 633 CB ASP A 49 3.145 6.470 7.819 1.00 0.00 C ATOM 634 CG ASP A 49 4.182 7.316 8.521 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.280 7.502 7.964 1.00 0.00 O ATOM 636 OD2 ASP A 49 3.894 7.799 9.633 1.00 0.00 O ATOM 0 H ASP A 49 1.587 4.385 7.496 1.00 0.00 H new ATOM 0 HA ASP A 49 4.451 4.966 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.936 6.901 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.215 6.502 8.386 1.00 0.00 H new ATOM 641 N HIS A 50 2.967 3.748 9.617 1.00 0.00 N ATOM 642 CA HIS A 50 3.146 3.123 10.929 1.00 0.00 C ATOM 643 C HIS A 50 2.602 1.701 10.957 1.00 0.00 C ATOM 644 O HIS A 50 1.844 1.344 11.862 1.00 0.00 O ATOM 645 CB HIS A 50 2.425 3.953 12.000 1.00 0.00 C ATOM 646 CG HIS A 50 1.067 4.430 11.572 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.058 3.629 11.560 1.00 0.00 N ATOM 648 CD2 HIS A 50 0.672 5.630 11.092 1.00 0.00 C ATOM 649 CE1 HIS A 50 -1.078 4.321 11.092 1.00 0.00 C ATOM 650 NE2 HIS A 50 -0.663 5.538 10.798 1.00 0.00 N ATOM 0 H HIS A 50 2.031 3.636 9.228 1.00 0.00 H new ATOM 0 HA HIS A 50 4.216 3.085 11.132 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.323 3.354 12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.041 4.815 12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.295 6.503 10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.086 3.953 10.970 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.240 6.287 10.415 1.00 0.00 H new ATOM 659 N CYS A 51 2.960 0.883 9.980 1.00 0.00 N ATOM 660 CA CYS A 51 2.461 -0.471 9.953 1.00 0.00 C ATOM 661 C CYS A 51 3.266 -1.390 10.867 1.00 0.00 C ATOM 662 O CYS A 51 4.145 -2.136 10.437 1.00 0.00 O ATOM 663 CB CYS A 51 2.379 -1.003 8.524 1.00 0.00 C ATOM 664 SG CYS A 51 3.950 -1.319 7.663 1.00 0.00 S ATOM 0 H CYS A 51 3.583 1.132 9.211 1.00 0.00 H new ATOM 0 HA CYS A 51 1.445 -0.455 10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.811 -1.933 8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.806 -0.290 7.931 1.00 0.00 H new ATOM 669 N HIS A 52 2.939 -1.314 12.148 1.00 0.00 N ATOM 670 CA HIS A 52 3.586 -2.116 13.171 1.00 0.00 C ATOM 671 C HIS A 52 2.621 -2.326 14.334 1.00 0.00 C ATOM 672 O HIS A 52 1.532 -1.748 14.339 1.00 0.00 O ATOM 673 CB HIS A 52 4.882 -1.428 13.652 1.00 0.00 C ATOM 674 CG HIS A 52 4.691 -0.079 14.303 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.572 0.559 14.731 1.00 0.00 N flip ATOM 676 CD2 HIS A 52 5.741 0.758 14.618 1.00 0.00 C flip ATOM 677 CE1 HIS A 52 3.959 1.748 15.294 1.00 0.00 C flip ATOM 678 NE2 HIS A 52 5.275 1.844 15.214 1.00 0.00 N flip ATOM 0 H HIS A 52 2.215 -0.692 12.507 1.00 0.00 H new ATOM 0 HA HIS A 52 3.855 -3.087 12.754 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.383 -2.088 14.360 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.550 -1.310 12.799 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.782 0.558 14.411 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.299 2.483 15.730 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.837 2.624 15.554 1.00 0.00 H new ATOM 687 N GLY A 53 3.031 -3.121 15.313 1.00 0.00 N ATOM 688 CA GLY A 53 2.209 -3.369 16.490 1.00 0.00 C ATOM 689 C GLY A 53 0.813 -3.892 16.191 1.00 0.00 C ATOM 690 O GLY A 53 0.628 -5.081 15.928 1.00 0.00 O ATOM 0 H GLY A 53 3.929 -3.606 15.316 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.722 -4.087 17.130 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.121 -2.442 17.057 1.00 0.00 H new ATOM 694 N VAL A 54 -0.172 -3.001 16.262 1.00 0.00 N ATOM 695 CA VAL A 54 -1.556 -3.363 16.037 1.00 0.00 C ATOM 696 C VAL A 54 -1.913 -3.324 14.556 1.00 0.00 C ATOM 697 O VAL A 54 -2.995 -3.745 14.173 1.00 0.00 O ATOM 698 CB VAL A 54 -2.495 -2.428 16.833 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.622 -1.088 16.137 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.863 -3.060 17.043 1.00 0.00 C ATOM 0 H VAL A 54 -0.028 -2.014 16.476 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.689 -4.387 16.388 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.053 -2.268 17.817 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.287 -0.442 16.710 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.639 -0.623 16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.032 -1.234 15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.497 -2.375 17.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.321 -3.266 16.076 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.752 -3.991 17.598 1.00 0.00 H new ATOM 710 N CYS A 55 -1.004 -2.844 13.711 1.00 0.00 N ATOM 711 CA CYS A 55 -1.264 -2.796 12.269 1.00 0.00 C ATOM 712 C CYS A 55 -1.380 -4.218 11.728 1.00 0.00 C ATOM 713 O CYS A 55 -1.859 -4.445 10.615 1.00 0.00 O ATOM 714 CB CYS A 55 -0.155 -2.055 11.539 1.00 0.00 C ATOM 715 SG CYS A 55 -0.678 -1.341 9.948 1.00 0.00 S ATOM 0 H CYS A 55 -0.091 -2.486 13.992 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.198 -2.259 12.102 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.220 -1.257 12.180 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.675 -2.740 11.365 1.00 0.00 H new ATOM 720 N LYS A 56 -0.979 -5.171 12.555 1.00 0.00 N ATOM 721 CA LYS A 56 -1.075 -6.574 12.213 1.00 0.00 C ATOM 722 C LYS A 56 -2.478 -7.048 12.584 1.00 0.00 C ATOM 723 O LYS A 56 -2.987 -8.035 12.048 1.00 0.00 O ATOM 724 CB LYS A 56 -0.011 -7.382 12.965 1.00 0.00 C ATOM 725 CG LYS A 56 0.242 -8.765 12.381 1.00 0.00 C ATOM 726 CD LYS A 56 1.269 -9.536 13.195 1.00 0.00 C ATOM 727 CE LYS A 56 2.609 -8.816 13.256 1.00 0.00 C ATOM 728 NZ LYS A 56 3.228 -8.659 11.911 1.00 0.00 N ATOM 0 H LYS A 56 -0.580 -4.991 13.476 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.901 -6.719 11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.924 -6.822 12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.318 -7.489 14.005 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.693 -9.324 12.350 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.590 -8.668 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.892 -9.685 14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.409 -10.525 12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.471 -7.833 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.288 -9.371 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.188 -8.272 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.277 -9.585 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.652 -8.010 11.338 1.00 0.00 H new ATOM 742 N ASP A 57 -3.097 -6.304 13.503 1.00 0.00 N ATOM 743 CA ASP A 57 -4.444 -6.590 13.968 1.00 0.00 C ATOM 744 C ASP A 57 -5.481 -5.955 13.049 1.00 0.00 C ATOM 745 O ASP A 57 -6.458 -6.603 12.673 1.00 0.00 O ATOM 746 CB ASP A 57 -4.646 -6.064 15.387 1.00 0.00 C ATOM 747 CG ASP A 57 -5.375 -7.054 16.264 1.00 0.00 C ATOM 748 OD1 ASP A 57 -5.812 -8.102 15.748 1.00 0.00 O ATOM 749 OD2 ASP A 57 -5.514 -6.784 17.470 1.00 0.00 O ATOM 0 H ASP A 57 -2.673 -5.487 13.942 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.573 -7.672 13.961 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.676 -5.835 15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.208 -5.131 15.350 1.00 0.00 H new ATOM 754 N LEU A 58 -5.285 -4.676 12.685 1.00 0.00 N ATOM 755 CA LEU A 58 -6.242 -4.012 11.807 1.00 0.00 C ATOM 756 C LEU A 58 -6.106 -4.509 10.352 1.00 0.00 C ATOM 757 O LEU A 58 -6.949 -4.220 9.500 1.00 0.00 O ATOM 758 CB LEU A 58 -6.245 -2.463 11.957 1.00 0.00 C ATOM 759 CG LEU A 58 -4.951 -1.632 11.802 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.307 -1.358 13.152 1.00 0.00 C ATOM 761 CD2 LEU A 58 -3.975 -2.276 10.847 1.00 0.00 C ATOM 0 H LEU A 58 -4.495 -4.102 12.979 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.239 -4.305 12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.958 -2.076 11.229 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.647 -2.242 12.946 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.236 -0.674 11.367 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.399 -0.772 13.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.003 -0.803 13.781 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.057 -2.303 13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.081 -1.658 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.702 -3.264 11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.437 -2.372 9.864 1.00 0.00 H new ATOM 773 N HIS A 59 -5.069 -5.332 10.133 1.00 0.00 N ATOM 774 CA HIS A 59 -4.783 -6.013 8.859 1.00 0.00 C ATOM 775 C HIS A 59 -4.423 -5.084 7.703 1.00 0.00 C ATOM 776 O HIS A 59 -5.144 -5.035 6.704 1.00 0.00 O ATOM 777 CB HIS A 59 -5.978 -6.889 8.464 1.00 0.00 C ATOM 778 CG HIS A 59 -5.596 -8.243 7.947 1.00 0.00 C ATOM 779 ND1 HIS A 59 -4.839 -8.430 6.812 1.00 0.00 N ATOM 780 CD2 HIS A 59 -5.873 -9.482 8.420 1.00 0.00 C ATOM 781 CE1 HIS A 59 -4.666 -9.724 6.609 1.00 0.00 C ATOM 782 NE2 HIS A 59 -5.281 -10.387 7.571 1.00 0.00 N ATOM 0 H HIS A 59 -4.386 -5.549 10.858 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.893 -6.616 9.040 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.627 -7.012 9.331 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.559 -6.371 7.701 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.452 -9.716 9.301 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.114 -10.166 5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.312 -11.402 7.668 1.00 0.00 H new ATOM 791 N LEU A 60 -3.292 -4.385 7.803 1.00 0.00 N ATOM 792 CA LEU A 60 -2.850 -3.505 6.719 1.00 0.00 C ATOM 793 C LEU A 60 -1.432 -3.852 6.280 1.00 0.00 C ATOM 794 O LEU A 60 -1.199 -4.213 5.128 1.00 0.00 O ATOM 795 CB LEU A 60 -2.907 -2.037 7.135 1.00 0.00 C ATOM 796 CG LEU A 60 -4.245 -1.574 7.713 1.00 0.00 C ATOM 797 CD1 LEU A 60 -4.278 -0.079 7.853 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.408 -2.054 6.870 1.00 0.00 C ATOM 0 H LEU A 60 -2.672 -4.409 8.612 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.532 -3.658 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.128 -1.855 7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.672 -1.421 6.267 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.345 -2.017 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.239 0.227 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.478 0.242 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.141 0.381 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.343 -1.707 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.313 -1.657 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.406 -3.143 6.834 1.00 0.00 H new ATOM 810 N CYS A 61 -0.487 -3.737 7.207 1.00 0.00 N ATOM 811 CA CYS A 61 0.912 -4.035 6.925 1.00 0.00 C ATOM 812 C CYS A 61 1.604 -4.524 8.190 1.00 0.00 C ATOM 813 O CYS A 61 1.462 -3.864 9.237 1.00 0.00 O ATOM 814 CB CYS A 61 1.625 -2.797 6.353 1.00 0.00 C ATOM 815 SG CYS A 61 3.455 -2.854 6.419 1.00 0.00 S ATOM 816 OXT CYS A 61 2.259 -5.582 8.132 1.00 0.00 O ATOM 0 H CYS A 61 -0.666 -3.438 8.165 1.00 0.00 H new ATOM 0 HA CYS A 61 0.960 -4.825 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.318 -2.668 5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.285 -1.917 6.898 1.00 0.00 H new TER 821 CYS A 61