USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=6 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+ -163:sc= 1.18 (180deg=1.07) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= -0.0435 (180deg=-0.692) USER MOD Single : A 6 SER OG : rot 180:sc= -0.735 USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0304) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-4.7!) USER MOD Single : A 52 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0146 (180deg=-0.186) USER MOD Single : A 59 HIS : no HD1:sc= -0.0545 X(o=-0.054,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.163 1.205 -0.027 1.00 0.00 N ATOM 2 CA ALA A 1 2.327 1.130 -1.496 1.00 0.00 C ATOM 3 C ALA A 1 1.245 1.952 -2.189 1.00 0.00 C ATOM 4 O ALA A 1 0.949 3.070 -1.769 1.00 0.00 O ATOM 5 CB ALA A 1 2.290 -0.323 -1.948 1.00 0.00 C ATOM 0 H1 ALA A 1 3.042 0.897 0.437 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.951 2.185 0.249 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.381 0.585 0.267 1.00 0.00 H new ATOM 0 HA ALA A 1 3.295 1.548 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.411 -0.371 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.098 -0.874 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.334 -0.766 -1.670 1.00 0.00 H new ATOM 13 N MET A 2 0.654 1.404 -3.246 1.00 0.00 N ATOM 14 CA MET A 2 -0.388 2.108 -3.971 1.00 0.00 C ATOM 15 C MET A 2 -1.676 2.126 -3.154 1.00 0.00 C ATOM 16 O MET A 2 -2.015 3.138 -2.546 1.00 0.00 O ATOM 17 CB MET A 2 -0.621 1.465 -5.340 1.00 0.00 C ATOM 18 CG MET A 2 -1.002 2.464 -6.420 1.00 0.00 C ATOM 19 SD MET A 2 -1.114 1.709 -8.053 1.00 0.00 S ATOM 20 CE MET A 2 -1.353 3.152 -9.088 1.00 0.00 C ATOM 0 H MET A 2 0.880 0.480 -3.615 1.00 0.00 H new ATOM 0 HA MET A 2 -0.067 3.137 -4.133 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.284 0.939 -5.645 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.410 0.718 -5.252 1.00 0.00 H new ATOM 0 HG2 MET A 2 -1.960 2.919 -6.168 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.265 3.266 -6.444 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.439 2.842 -10.130 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.264 3.669 -8.786 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.501 3.823 -8.979 1.00 0.00 H new ATOM 30 N GLY A 3 -2.389 1.008 -3.124 1.00 0.00 N ATOM 31 CA GLY A 3 -3.618 0.962 -2.358 1.00 0.00 C ATOM 32 C GLY A 3 -4.824 1.301 -3.179 1.00 0.00 C ATOM 33 O GLY A 3 -4.728 1.584 -4.373 1.00 0.00 O ATOM 0 H GLY A 3 -2.143 0.145 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.740 -0.035 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.546 1.657 -1.521 1.00 0.00 H new ATOM 37 N LYS A 4 -5.961 1.328 -2.507 1.00 0.00 N ATOM 38 CA LYS A 4 -7.216 1.701 -3.121 1.00 0.00 C ATOM 39 C LYS A 4 -7.257 3.217 -3.135 1.00 0.00 C ATOM 40 O LYS A 4 -8.278 3.856 -3.379 1.00 0.00 O ATOM 41 CB LYS A 4 -8.364 1.150 -2.282 1.00 0.00 C ATOM 42 CG LYS A 4 -9.655 0.946 -3.067 1.00 0.00 C ATOM 43 CD LYS A 4 -10.681 2.041 -2.795 1.00 0.00 C ATOM 44 CE LYS A 4 -11.415 2.464 -4.065 1.00 0.00 C ATOM 45 NZ LYS A 4 -11.822 1.298 -4.898 1.00 0.00 N ATOM 0 H LYS A 4 -6.037 1.091 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.308 1.303 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.060 0.198 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.557 1.832 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.429 0.921 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.084 -0.022 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.403 1.687 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.181 2.906 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.299 3.041 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.772 3.120 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.661 1.548 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.043 1.038 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.047 0.492 -4.281 1.00 0.00 H new ATOM 59 N CYS A 5 -6.107 3.753 -2.796 1.00 0.00 N ATOM 60 CA CYS A 5 -5.881 5.159 -2.668 1.00 0.00 C ATOM 61 C CYS A 5 -4.660 5.570 -3.502 1.00 0.00 C ATOM 62 O CYS A 5 -3.530 5.491 -3.020 1.00 0.00 O ATOM 63 CB CYS A 5 -5.616 5.408 -1.188 1.00 0.00 C ATOM 64 SG CYS A 5 -6.626 4.362 -0.061 1.00 0.00 S ATOM 0 H CYS A 5 -5.278 3.194 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.733 5.739 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.560 5.230 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.811 6.457 -0.966 1.00 0.00 H new ATOM 69 N SER A 6 -4.890 5.991 -4.749 1.00 0.00 N ATOM 70 CA SER A 6 -3.811 6.409 -5.660 1.00 0.00 C ATOM 71 C SER A 6 -3.039 7.609 -5.107 1.00 0.00 C ATOM 72 O SER A 6 -3.285 8.047 -3.992 1.00 0.00 O ATOM 73 CB SER A 6 -4.405 6.765 -7.027 1.00 0.00 C ATOM 74 OG SER A 6 -5.390 5.819 -7.411 1.00 0.00 O ATOM 0 H SER A 6 -5.823 6.053 -5.157 1.00 0.00 H new ATOM 0 HA SER A 6 -3.113 5.578 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.847 7.761 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.613 6.796 -7.775 1.00 0.00 H new ATOM 0 HG SER A 6 -5.757 6.066 -8.285 1.00 0.00 H new ATOM 80 N VAL A 7 -2.107 8.137 -5.891 1.00 0.00 N ATOM 81 CA VAL A 7 -1.304 9.286 -5.469 1.00 0.00 C ATOM 82 C VAL A 7 -2.182 10.459 -5.037 1.00 0.00 C ATOM 83 O VAL A 7 -2.115 10.919 -3.901 1.00 0.00 O ATOM 84 CB VAL A 7 -0.342 9.718 -6.600 1.00 0.00 C ATOM 85 CG1 VAL A 7 -1.070 9.859 -7.934 1.00 0.00 C ATOM 86 CG2 VAL A 7 0.406 10.994 -6.233 1.00 0.00 C ATOM 0 H VAL A 7 -1.886 7.790 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.716 8.978 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 7 0.398 8.927 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.362 10.164 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.515 8.903 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.853 10.611 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.074 11.271 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.309 11.798 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.989 10.826 -5.327 1.00 0.00 H new ATOM 96 N LEU A 8 -3.007 10.930 -5.945 1.00 0.00 N ATOM 97 CA LEU A 8 -3.908 12.045 -5.651 1.00 0.00 C ATOM 98 C LEU A 8 -5.022 11.597 -4.709 1.00 0.00 C ATOM 99 O LEU A 8 -5.634 12.410 -4.023 1.00 0.00 O ATOM 100 CB LEU A 8 -4.502 12.616 -6.943 1.00 0.00 C ATOM 101 CG LEU A 8 -5.486 11.701 -7.679 1.00 0.00 C ATOM 102 CD1 LEU A 8 -6.864 12.338 -7.736 1.00 0.00 C ATOM 103 CD2 LEU A 8 -4.987 11.402 -9.081 1.00 0.00 C ATOM 0 H LEU A 8 -3.080 10.566 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.331 12.829 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.010 13.551 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.684 12.861 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.559 10.763 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.550 11.674 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.229 12.508 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.803 13.290 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.698 10.751 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.886 12.334 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.018 10.906 -9.024 1.00 0.00 H new ATOM 115 N LYS A 9 -5.269 10.291 -4.669 1.00 0.00 N ATOM 116 CA LYS A 9 -6.290 9.730 -3.801 1.00 0.00 C ATOM 117 C LYS A 9 -5.764 9.558 -2.376 1.00 0.00 C ATOM 118 O LYS A 9 -6.543 9.386 -1.441 1.00 0.00 O ATOM 119 CB LYS A 9 -6.755 8.376 -4.329 1.00 0.00 C ATOM 120 CG LYS A 9 -7.790 8.439 -5.445 1.00 0.00 C ATOM 121 CD LYS A 9 -8.119 7.036 -5.952 1.00 0.00 C ATOM 122 CE LYS A 9 -9.477 6.968 -6.644 1.00 0.00 C ATOM 123 NZ LYS A 9 -9.598 7.947 -7.760 1.00 0.00 N ATOM 0 H LYS A 9 -4.771 9.601 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.130 10.425 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.886 7.827 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.171 7.804 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.697 8.922 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.412 9.049 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.344 6.714 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.106 6.338 -5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.635 5.961 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.263 7.156 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.488 7.782 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.594 8.913 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.797 7.830 -8.413 1.00 0.00 H new ATOM 137 N LYS A 10 -4.439 9.599 -2.216 1.00 0.00 N ATOM 138 CA LYS A 10 -3.820 9.443 -0.902 1.00 0.00 C ATOM 139 C LYS A 10 -3.994 10.729 -0.107 1.00 0.00 C ATOM 140 O LYS A 10 -3.763 10.778 1.103 1.00 0.00 O ATOM 141 CB LYS A 10 -2.339 9.037 -1.028 1.00 0.00 C ATOM 142 CG LYS A 10 -1.353 10.192 -1.126 1.00 0.00 C ATOM 143 CD LYS A 10 0.030 9.708 -1.567 1.00 0.00 C ATOM 144 CE LYS A 10 0.598 8.645 -0.635 1.00 0.00 C ATOM 145 NZ LYS A 10 0.877 9.182 0.723 1.00 0.00 N ATOM 0 H LYS A 10 -3.777 9.739 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.316 8.636 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.072 8.426 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.226 8.409 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.725 10.931 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.275 10.689 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.035 9.304 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.713 10.556 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.106 7.817 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.517 8.244 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.262 8.425 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.569 9.956 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.004 9.542 1.142 1.00 0.00 H new ATOM 159 N VAL A 11 -4.459 11.749 -0.810 1.00 0.00 N ATOM 160 CA VAL A 11 -4.740 13.041 -0.228 1.00 0.00 C ATOM 161 C VAL A 11 -6.176 13.017 0.284 1.00 0.00 C ATOM 162 O VAL A 11 -6.558 13.747 1.201 1.00 0.00 O ATOM 163 CB VAL A 11 -4.545 14.144 -1.303 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.864 14.679 -1.840 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.687 15.270 -0.783 1.00 0.00 C ATOM 0 H VAL A 11 -4.652 11.698 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.063 13.258 0.599 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.028 13.671 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.668 15.447 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.428 13.865 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.442 15.109 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.569 16.026 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.163 15.717 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.708 14.882 -0.503 1.00 0.00 H new ATOM 175 N ALA A 12 -6.959 12.145 -0.338 1.00 0.00 N ATOM 176 CA ALA A 12 -8.360 11.970 0.004 1.00 0.00 C ATOM 177 C ALA A 12 -8.545 10.945 1.116 1.00 0.00 C ATOM 178 O ALA A 12 -9.650 10.799 1.640 1.00 0.00 O ATOM 179 CB ALA A 12 -9.161 11.566 -1.225 1.00 0.00 C ATOM 0 H ALA A 12 -6.638 11.540 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.731 12.927 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.208 11.439 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.076 12.342 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.773 10.627 -1.620 1.00 0.00 H new ATOM 185 N CYS A 13 -7.474 10.238 1.502 1.00 0.00 N ATOM 186 CA CYS A 13 -7.587 9.262 2.576 1.00 0.00 C ATOM 187 C CYS A 13 -7.891 9.977 3.869 1.00 0.00 C ATOM 188 O CYS A 13 -8.370 9.374 4.807 1.00 0.00 O ATOM 189 CB CYS A 13 -6.314 8.446 2.762 1.00 0.00 C ATOM 190 SG CYS A 13 -5.497 7.965 1.210 1.00 0.00 S ATOM 0 H CYS A 13 -6.544 10.325 1.093 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.389 8.576 2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.612 9.023 3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.554 7.545 3.327 1.00 0.00 H new ATOM 195 N ALA A 14 -7.613 11.274 3.895 1.00 0.00 N ATOM 196 CA ALA A 14 -7.868 12.083 5.068 1.00 0.00 C ATOM 197 C ALA A 14 -9.365 12.201 5.309 1.00 0.00 C ATOM 198 O ALA A 14 -9.830 12.194 6.445 1.00 0.00 O ATOM 199 CB ALA A 14 -7.234 13.458 4.908 1.00 0.00 C ATOM 0 H ALA A 14 -7.209 11.785 3.110 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.419 11.600 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.433 14.056 5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.157 13.349 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.657 13.954 4.034 1.00 0.00 H new ATOM 205 N ALA A 15 -10.132 12.282 4.239 1.00 0.00 N ATOM 206 CA ALA A 15 -11.572 12.371 4.368 1.00 0.00 C ATOM 207 C ALA A 15 -12.129 11.086 4.959 1.00 0.00 C ATOM 208 O ALA A 15 -13.162 11.087 5.621 1.00 0.00 O ATOM 209 CB ALA A 15 -12.211 12.654 3.021 1.00 0.00 C ATOM 0 H ALA A 15 -9.786 12.288 3.280 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.808 13.195 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.293 12.717 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.832 13.598 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.967 11.850 2.327 1.00 0.00 H new ATOM 215 N ALA A 16 -11.429 9.993 4.709 1.00 0.00 N ATOM 216 CA ALA A 16 -11.842 8.697 5.203 1.00 0.00 C ATOM 217 C ALA A 16 -11.211 8.364 6.556 1.00 0.00 C ATOM 218 O ALA A 16 -11.912 7.955 7.481 1.00 0.00 O ATOM 219 CB ALA A 16 -11.501 7.621 4.186 1.00 0.00 C ATOM 0 H ALA A 16 -10.567 9.981 4.163 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.921 8.733 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.815 6.649 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.018 7.829 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.425 7.612 4.013 1.00 0.00 H new ATOM 225 N ILE A 17 -9.887 8.487 6.664 1.00 0.00 N ATOM 226 CA ILE A 17 -9.203 8.141 7.893 1.00 0.00 C ATOM 227 C ILE A 17 -8.909 9.333 8.804 1.00 0.00 C ATOM 228 O ILE A 17 -9.063 9.207 10.011 1.00 0.00 O ATOM 229 CB ILE A 17 -7.922 7.299 7.631 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.534 6.590 8.894 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.709 8.098 7.191 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.808 7.487 9.860 1.00 0.00 C ATOM 0 H ILE A 17 -9.278 8.822 5.917 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.911 7.520 8.441 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.187 6.626 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.429 6.194 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.900 5.738 8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.867 7.424 7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.935 8.620 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.453 8.825 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.551 6.923 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.897 7.863 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.450 8.326 10.130 1.00 0.00 H new ATOM 244 N ALA A 18 -8.478 10.471 8.271 1.00 0.00 N ATOM 245 CA ALA A 18 -8.186 11.626 9.138 1.00 0.00 C ATOM 246 C ALA A 18 -9.386 11.936 10.033 1.00 0.00 C ATOM 247 O ALA A 18 -9.227 12.400 11.157 1.00 0.00 O ATOM 248 CB ALA A 18 -7.782 12.849 8.338 1.00 0.00 C ATOM 0 H ALA A 18 -8.324 10.626 7.275 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.337 11.359 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.576 13.676 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.887 12.625 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.592 13.126 7.663 1.00 0.00 H new ATOM 254 N GLY A 19 -10.584 11.622 9.549 1.00 0.00 N ATOM 255 CA GLY A 19 -11.773 11.822 10.352 1.00 0.00 C ATOM 256 C GLY A 19 -11.849 10.799 11.471 1.00 0.00 C ATOM 257 O GLY A 19 -12.380 11.075 12.547 1.00 0.00 O ATOM 0 H GLY A 19 -10.751 11.235 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.768 12.827 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.659 11.745 9.722 1.00 0.00 H new ATOM 261 N ALA A 20 -11.283 9.618 11.221 1.00 0.00 N ATOM 262 CA ALA A 20 -11.248 8.551 12.202 1.00 0.00 C ATOM 263 C ALA A 20 -10.197 8.826 13.271 1.00 0.00 C ATOM 264 O ALA A 20 -10.420 8.541 14.444 1.00 0.00 O ATOM 265 CB ALA A 20 -10.984 7.218 11.527 1.00 0.00 C ATOM 0 H ALA A 20 -10.839 9.382 10.334 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.222 8.507 12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.961 6.428 12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.776 7.011 10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.025 7.255 11.010 1.00 0.00 H new ATOM 271 N VAL A 21 -9.058 9.403 12.882 1.00 0.00 N ATOM 272 CA VAL A 21 -8.034 9.725 13.872 1.00 0.00 C ATOM 273 C VAL A 21 -8.555 10.850 14.728 1.00 0.00 C ATOM 274 O VAL A 21 -8.382 10.860 15.936 1.00 0.00 O ATOM 275 CB VAL A 21 -6.671 10.137 13.283 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.109 9.060 12.382 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.727 11.455 12.554 1.00 0.00 C ATOM 0 H VAL A 21 -8.827 9.650 11.920 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.847 8.812 14.438 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.000 10.265 14.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.147 9.384 11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.975 8.141 12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.800 8.877 11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.739 11.695 12.160 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.439 11.386 11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.043 12.238 13.243 1.00 0.00 H new ATOM 287 N ALA A 22 -9.226 11.774 14.060 1.00 0.00 N ATOM 288 CA ALA A 22 -9.847 12.921 14.697 1.00 0.00 C ATOM 289 C ALA A 22 -10.820 12.454 15.766 1.00 0.00 C ATOM 290 O ALA A 22 -11.036 13.141 16.764 1.00 0.00 O ATOM 291 CB ALA A 22 -10.569 13.772 13.664 1.00 0.00 C ATOM 0 H ALA A 22 -9.356 11.747 13.049 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.072 13.528 15.164 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.030 14.628 14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.855 14.123 12.918 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.340 13.176 13.176 1.00 0.00 H new ATOM 297 N ALA A 23 -11.383 11.260 15.559 1.00 0.00 N ATOM 298 CA ALA A 23 -12.307 10.682 16.517 1.00 0.00 C ATOM 299 C ALA A 23 -11.584 10.396 17.831 1.00 0.00 C ATOM 300 O ALA A 23 -12.184 10.453 18.904 1.00 0.00 O ATOM 301 CB ALA A 23 -12.942 9.414 15.955 1.00 0.00 C ATOM 0 H ALA A 23 -11.211 10.682 14.736 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.107 11.397 16.711 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.631 8.996 16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.486 9.654 15.041 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.163 8.685 15.733 1.00 0.00 H new ATOM 307 N CYS A 24 -10.287 10.103 17.746 1.00 0.00 N ATOM 308 CA CYS A 24 -9.499 9.831 18.938 1.00 0.00 C ATOM 309 C CYS A 24 -8.606 11.023 19.306 1.00 0.00 C ATOM 310 O CYS A 24 -8.740 11.584 20.396 1.00 0.00 O ATOM 311 CB CYS A 24 -8.665 8.567 18.750 1.00 0.00 C ATOM 312 SG CYS A 24 -8.963 7.303 20.027 1.00 0.00 S ATOM 0 H CYS A 24 -9.767 10.049 16.870 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.190 9.671 19.766 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.882 8.141 17.771 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.608 8.834 18.754 1.00 0.00 H new ATOM 317 N GLY A 25 -7.704 11.424 18.403 1.00 0.00 N ATOM 318 CA GLY A 25 -6.834 12.555 18.688 1.00 0.00 C ATOM 319 C GLY A 25 -5.793 12.821 17.606 1.00 0.00 C ATOM 320 O GLY A 25 -5.541 13.978 17.261 1.00 0.00 O ATOM 0 H GLY A 25 -7.564 10.990 17.491 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.446 13.448 18.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.323 12.379 19.635 1.00 0.00 H new ATOM 324 N GLY A 26 -5.179 11.766 17.073 1.00 0.00 N ATOM 325 CA GLY A 26 -4.162 11.935 16.045 1.00 0.00 C ATOM 326 C GLY A 26 -3.427 10.642 15.740 1.00 0.00 C ATOM 327 O GLY A 26 -2.547 10.231 16.498 1.00 0.00 O ATOM 0 H GLY A 26 -5.367 10.798 17.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.629 12.308 15.133 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.445 12.690 16.368 1.00 0.00 H new ATOM 331 N ILE A 27 -3.797 10.012 14.627 1.00 0.00 N ATOM 332 CA ILE A 27 -3.207 8.749 14.174 1.00 0.00 C ATOM 333 C ILE A 27 -3.085 7.711 15.301 1.00 0.00 C ATOM 334 O ILE A 27 -2.053 7.069 15.512 1.00 0.00 O ATOM 335 CB ILE A 27 -1.877 8.973 13.399 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.186 9.738 12.123 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.219 7.660 12.996 1.00 0.00 C ATOM 338 CD1 ILE A 27 -2.947 8.886 11.122 1.00 0.00 C ATOM 0 H ILE A 27 -4.524 10.367 14.005 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.906 8.315 13.459 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.199 9.518 14.056 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.772 10.625 12.364 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.256 10.083 11.672 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.294 7.867 12.458 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.996 7.076 13.889 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.895 7.097 12.353 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.148 9.471 10.224 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.350 8.012 10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.890 8.562 11.562 1.00 0.00 H new ATOM 350 N ASP A 28 -4.196 7.486 15.975 1.00 0.00 N ATOM 351 CA ASP A 28 -4.269 6.466 16.983 1.00 0.00 C ATOM 352 C ASP A 28 -4.741 5.260 16.207 1.00 0.00 C ATOM 353 O ASP A 28 -5.927 4.951 16.218 1.00 0.00 O ATOM 354 CB ASP A 28 -5.285 6.820 18.072 1.00 0.00 C ATOM 355 CG ASP A 28 -5.286 8.282 18.454 1.00 0.00 C ATOM 356 OD1 ASP A 28 -5.723 9.111 17.631 1.00 0.00 O ATOM 357 OD2 ASP A 28 -4.864 8.600 19.581 1.00 0.00 O ATOM 0 H ASP A 28 -5.063 8.005 15.835 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.321 6.320 17.500 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.282 6.543 17.729 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.075 6.223 18.959 1.00 0.00 H new ATOM 362 N LEU A 29 -3.831 4.663 15.434 1.00 0.00 N ATOM 363 CA LEU A 29 -4.152 3.579 14.526 1.00 0.00 C ATOM 364 C LEU A 29 -5.151 2.529 15.059 1.00 0.00 C ATOM 365 O LEU A 29 -6.056 2.149 14.316 1.00 0.00 O ATOM 366 CB LEU A 29 -2.878 2.946 13.930 1.00 0.00 C ATOM 367 CG LEU A 29 -1.840 2.350 14.891 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.853 1.499 14.105 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.085 3.437 15.648 1.00 0.00 C ATOM 0 H LEU A 29 -2.846 4.926 15.427 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.706 4.054 13.716 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.189 2.156 13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.378 3.708 13.332 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.368 1.737 15.621 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.115 1.075 14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.387 0.693 13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.349 2.118 13.363 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.359 2.976 16.318 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.566 4.081 14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.789 4.032 16.229 1.00 0.00 H new ATOM 381 N PRO A 30 -5.059 2.045 16.325 1.00 0.00 N ATOM 382 CA PRO A 30 -6.033 1.061 16.830 1.00 0.00 C ATOM 383 C PRO A 30 -7.418 1.672 17.045 1.00 0.00 C ATOM 384 O PRO A 30 -8.425 0.964 17.120 1.00 0.00 O ATOM 385 CB PRO A 30 -5.442 0.618 18.170 1.00 0.00 C ATOM 386 CG PRO A 30 -4.559 1.740 18.604 1.00 0.00 C ATOM 387 CD PRO A 30 -4.056 2.406 17.351 1.00 0.00 C ATOM 0 HA PRO A 30 -6.181 0.245 16.123 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.227 0.430 18.903 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.877 -0.308 18.063 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.109 2.448 19.224 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.729 1.369 19.205 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.983 3.486 17.475 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.062 2.049 17.081 1.00 0.00 H new ATOM 395 N CYS A 31 -7.449 2.992 17.157 1.00 0.00 N ATOM 396 CA CYS A 31 -8.675 3.738 17.385 1.00 0.00 C ATOM 397 C CYS A 31 -9.334 4.151 16.074 1.00 0.00 C ATOM 398 O CYS A 31 -10.535 3.962 15.889 1.00 0.00 O ATOM 399 CB CYS A 31 -8.355 4.984 18.199 1.00 0.00 C ATOM 400 SG CYS A 31 -9.793 5.767 18.993 1.00 0.00 S ATOM 0 H CYS A 31 -6.617 3.579 17.092 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.370 3.094 17.924 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.630 4.721 18.970 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.876 5.714 17.547 1.00 0.00 H new ATOM 405 N VAL A 32 -8.549 4.738 15.170 1.00 0.00 N ATOM 406 CA VAL A 32 -9.083 5.194 13.880 1.00 0.00 C ATOM 407 C VAL A 32 -9.645 4.024 13.089 1.00 0.00 C ATOM 408 O VAL A 32 -10.611 4.187 12.357 1.00 0.00 O ATOM 409 CB VAL A 32 -8.027 5.962 13.026 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.878 6.407 13.902 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.546 5.164 11.828 1.00 0.00 C ATOM 0 H VAL A 32 -7.552 4.909 15.302 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.885 5.897 14.106 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.515 6.845 12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.146 6.942 13.298 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.252 7.065 14.686 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.407 5.535 14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.813 5.749 11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.087 4.236 12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.392 4.933 11.181 1.00 0.00 H new ATOM 421 N LEU A 33 -9.050 2.842 13.238 1.00 0.00 N ATOM 422 CA LEU A 33 -9.516 1.677 12.517 1.00 0.00 C ATOM 423 C LEU A 33 -10.854 1.166 13.054 1.00 0.00 C ATOM 424 O LEU A 33 -11.351 0.142 12.603 1.00 0.00 O ATOM 425 CB LEU A 33 -8.476 0.572 12.569 1.00 0.00 C ATOM 426 CG LEU A 33 -8.282 -0.171 11.251 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.125 0.424 10.462 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.060 -1.637 11.520 1.00 0.00 C ATOM 0 H LEU A 33 -8.251 2.674 13.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.671 1.978 11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.522 1.001 12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.763 -0.145 13.338 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.182 -0.062 10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.005 -0.121 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.332 1.472 10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.208 0.348 11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.922 -2.163 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.172 -1.763 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.926 -2.047 12.040 1.00 0.00 H new ATOM 440 N ALA A 34 -11.455 1.891 13.985 1.00 0.00 N ATOM 441 CA ALA A 34 -12.752 1.506 14.515 1.00 0.00 C ATOM 442 C ALA A 34 -13.826 2.185 13.682 1.00 0.00 C ATOM 443 O ALA A 34 -14.873 1.612 13.397 1.00 0.00 O ATOM 444 CB ALA A 34 -12.885 1.884 15.983 1.00 0.00 C ATOM 0 H ALA A 34 -11.067 2.745 14.387 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.863 0.423 14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.866 1.582 16.349 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.111 1.378 16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.773 2.963 16.093 1.00 0.00 H new ATOM 450 N ALA A 35 -13.522 3.409 13.271 1.00 0.00 N ATOM 451 CA ALA A 35 -14.422 4.185 12.436 1.00 0.00 C ATOM 452 C ALA A 35 -14.011 4.057 10.978 1.00 0.00 C ATOM 453 O ALA A 35 -14.853 3.961 10.086 1.00 0.00 O ATOM 454 CB ALA A 35 -14.416 5.646 12.855 1.00 0.00 C ATOM 0 H ALA A 35 -12.652 3.886 13.506 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.433 3.797 12.559 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.096 6.210 12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.739 5.728 13.893 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.408 6.049 12.756 1.00 0.00 H new ATOM 460 N LEU A 36 -12.701 4.041 10.742 1.00 0.00 N ATOM 461 CA LEU A 36 -12.173 3.912 9.401 1.00 0.00 C ATOM 462 C LEU A 36 -12.380 2.519 8.860 1.00 0.00 C ATOM 463 O LEU A 36 -12.245 2.286 7.666 1.00 0.00 O ATOM 464 CB LEU A 36 -10.672 4.181 9.350 1.00 0.00 C ATOM 465 CG LEU A 36 -10.083 3.867 7.983 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.527 4.919 7.033 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.590 3.762 7.980 1.00 0.00 C ATOM 0 H LEU A 36 -11.990 4.116 11.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.711 4.647 8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.482 5.226 9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.170 3.580 10.108 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.446 2.884 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.116 4.714 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.616 4.925 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.176 5.892 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.243 3.536 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.158 4.707 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.280 2.966 8.657 1.00 0.00 H new ATOM 479 N LYS A 37 -12.644 1.572 9.729 1.00 0.00 N ATOM 480 CA LYS A 37 -12.776 0.211 9.265 1.00 0.00 C ATOM 481 C LYS A 37 -13.909 0.058 8.246 1.00 0.00 C ATOM 482 O LYS A 37 -13.915 -0.885 7.457 1.00 0.00 O ATOM 483 CB LYS A 37 -12.973 -0.765 10.429 1.00 0.00 C ATOM 484 CG LYS A 37 -12.863 -2.235 10.042 1.00 0.00 C ATOM 485 CD LYS A 37 -13.262 -3.144 11.195 1.00 0.00 C ATOM 486 CE LYS A 37 -12.299 -3.019 12.369 1.00 0.00 C ATOM 487 NZ LYS A 37 -12.671 -3.916 13.494 1.00 0.00 N ATOM 0 H LYS A 37 -12.769 1.711 10.732 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.840 -0.036 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.232 -0.548 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.954 -0.591 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.501 -2.435 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.840 -2.457 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.271 -2.894 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.286 -4.178 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.289 -3.256 12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.285 -1.987 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.990 -3.799 14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.625 -3.674 13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.659 -4.904 13.169 1.00 0.00 H new ATOM 501 N ALA A 38 -14.843 1.007 8.232 1.00 0.00 N ATOM 502 CA ALA A 38 -15.933 0.976 7.266 1.00 0.00 C ATOM 503 C ALA A 38 -15.372 1.252 5.876 1.00 0.00 C ATOM 504 O ALA A 38 -16.038 1.055 4.863 1.00 0.00 O ATOM 505 CB ALA A 38 -16.999 2.002 7.620 1.00 0.00 C ATOM 0 H ALA A 38 -14.865 1.799 8.874 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.400 -0.009 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.803 1.960 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.401 1.783 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.559 2.999 7.620 1.00 0.00 H new ATOM 511 N ALA A 39 -14.124 1.702 5.862 1.00 0.00 N ATOM 512 CA ALA A 39 -13.406 2.015 4.644 1.00 0.00 C ATOM 513 C ALA A 39 -12.345 0.969 4.361 1.00 0.00 C ATOM 514 O ALA A 39 -11.176 1.320 4.170 1.00 0.00 O ATOM 515 CB ALA A 39 -12.732 3.373 4.760 1.00 0.00 C ATOM 0 H ALA A 39 -13.579 1.860 6.710 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.129 2.029 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.197 3.594 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.487 4.140 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.029 3.360 5.593 1.00 0.00 H new ATOM 521 N GLU A 40 -12.740 -0.305 4.326 1.00 0.00 N ATOM 522 CA GLU A 40 -11.795 -1.377 4.042 1.00 0.00 C ATOM 523 C GLU A 40 -11.282 -1.228 2.622 1.00 0.00 C ATOM 524 O GLU A 40 -11.860 -1.758 1.671 1.00 0.00 O ATOM 525 CB GLU A 40 -12.426 -2.758 4.238 1.00 0.00 C ATOM 526 CG GLU A 40 -12.383 -3.258 5.673 1.00 0.00 C ATOM 527 CD GLU A 40 -12.859 -4.688 5.794 1.00 0.00 C ATOM 528 OE1 GLU A 40 -12.253 -5.573 5.157 1.00 0.00 O ATOM 529 OE2 GLU A 40 -13.840 -4.928 6.520 1.00 0.00 O ATOM 0 H GLU A 40 -13.698 -0.614 4.489 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.966 -1.299 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.464 -2.722 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.912 -3.475 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.364 -3.183 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.004 -2.616 6.298 1.00 0.00 H new ATOM 536 N GLY A 41 -10.212 -0.471 2.495 1.00 0.00 N ATOM 537 CA GLY A 41 -9.630 -0.208 1.212 1.00 0.00 C ATOM 538 C GLY A 41 -8.756 1.024 1.232 1.00 0.00 C ATOM 539 O GLY A 41 -7.764 1.087 0.515 1.00 0.00 O ATOM 0 H GLY A 41 -9.730 -0.027 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.038 -1.068 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.422 -0.080 0.474 1.00 0.00 H new ATOM 543 N CYS A 42 -9.063 2.007 2.082 1.00 0.00 N ATOM 544 CA CYS A 42 -8.216 3.171 2.138 1.00 0.00 C ATOM 545 C CYS A 42 -7.523 3.188 3.474 1.00 0.00 C ATOM 546 O CYS A 42 -6.762 4.100 3.797 1.00 0.00 O ATOM 547 CB CYS A 42 -8.973 4.471 1.872 1.00 0.00 C ATOM 548 SG CYS A 42 -8.217 5.484 0.541 1.00 0.00 S ATOM 0 H CYS A 42 -9.864 2.012 2.714 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.478 3.107 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.003 4.236 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.010 5.057 2.790 1.00 0.00 H new ATOM 553 N ALA A 43 -7.746 2.115 4.223 1.00 0.00 N ATOM 554 CA ALA A 43 -7.099 1.930 5.495 1.00 0.00 C ATOM 555 C ALA A 43 -5.642 1.634 5.193 1.00 0.00 C ATOM 556 O ALA A 43 -4.737 2.032 5.918 1.00 0.00 O ATOM 557 CB ALA A 43 -7.767 0.801 6.261 1.00 0.00 C ATOM 0 H ALA A 43 -8.378 1.359 3.959 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.177 2.815 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.270 0.669 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.817 1.044 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.695 -0.122 5.686 1.00 0.00 H new ATOM 563 N SER A 44 -5.450 0.973 4.055 1.00 0.00 N ATOM 564 CA SER A 44 -4.137 0.645 3.543 1.00 0.00 C ATOM 565 C SER A 44 -3.352 1.935 3.256 1.00 0.00 C ATOM 566 O SER A 44 -2.135 1.928 3.206 1.00 0.00 O ATOM 567 CB SER A 44 -4.297 -0.194 2.276 1.00 0.00 C ATOM 568 OG SER A 44 -5.181 -1.285 2.504 1.00 0.00 O ATOM 0 H SER A 44 -6.214 0.650 3.461 1.00 0.00 H new ATOM 0 HA SER A 44 -3.578 0.069 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.681 0.429 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.324 -0.568 1.956 1.00 0.00 H new ATOM 0 HG SER A 44 -5.272 -1.810 1.681 1.00 0.00 H new ATOM 574 N CYS A 45 -4.082 3.047 3.114 1.00 0.00 N ATOM 575 CA CYS A 45 -3.483 4.368 2.890 1.00 0.00 C ATOM 576 C CYS A 45 -3.076 4.937 4.233 1.00 0.00 C ATOM 577 O CYS A 45 -2.043 5.588 4.382 1.00 0.00 O ATOM 578 CB CYS A 45 -4.505 5.313 2.267 1.00 0.00 C ATOM 579 SG CYS A 45 -3.846 6.945 1.806 1.00 0.00 S ATOM 0 H CYS A 45 -5.101 3.057 3.151 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.627 4.267 2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.923 4.840 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.327 5.453 2.970 1.00 0.00 H new ATOM 584 N PHE A 46 -3.936 4.656 5.200 1.00 0.00 N ATOM 585 CA PHE A 46 -3.770 5.076 6.576 1.00 0.00 C ATOM 586 C PHE A 46 -2.518 4.462 7.180 1.00 0.00 C ATOM 587 O PHE A 46 -1.557 5.157 7.468 1.00 0.00 O ATOM 588 CB PHE A 46 -5.026 4.657 7.368 1.00 0.00 C ATOM 589 CG PHE A 46 -4.840 4.465 8.848 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.599 5.529 9.695 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.934 3.200 9.399 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.460 5.346 11.024 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.793 3.008 10.740 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.558 4.076 11.560 1.00 0.00 C ATOM 0 H PHE A 46 -4.787 4.117 5.042 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.652 6.159 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.797 5.412 7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.403 3.726 6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.520 6.525 9.286 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.122 2.352 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.272 6.192 11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.867 2.014 11.155 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.449 3.928 12.624 1.00 0.00 H new ATOM 604 N CYS A 47 -2.558 3.165 7.413 1.00 0.00 N ATOM 605 CA CYS A 47 -1.449 2.475 8.054 1.00 0.00 C ATOM 606 C CYS A 47 -0.309 2.046 7.112 1.00 0.00 C ATOM 607 O CYS A 47 0.532 1.265 7.527 1.00 0.00 O ATOM 608 CB CYS A 47 -2.010 1.247 8.761 1.00 0.00 C ATOM 609 SG CYS A 47 -1.048 0.683 10.191 1.00 0.00 S ATOM 0 H CYS A 47 -3.346 2.565 7.169 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.993 3.188 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.026 1.467 9.089 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.077 0.431 8.042 1.00 0.00 H new ATOM 614 N GLU A 48 -0.248 2.523 5.865 1.00 0.00 N ATOM 615 CA GLU A 48 0.840 2.094 4.963 1.00 0.00 C ATOM 616 C GLU A 48 2.220 2.534 5.456 1.00 0.00 C ATOM 617 O GLU A 48 3.205 1.814 5.284 1.00 0.00 O ATOM 618 CB GLU A 48 0.635 2.604 3.531 1.00 0.00 C ATOM 619 CG GLU A 48 0.710 4.115 3.373 1.00 0.00 C ATOM 620 CD GLU A 48 1.253 4.522 2.020 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.727 3.637 1.279 1.00 0.00 O ATOM 622 OE2 GLU A 48 1.232 5.727 1.711 1.00 0.00 O ATOM 0 H GLU A 48 -0.912 3.184 5.461 1.00 0.00 H new ATOM 0 HA GLU A 48 0.802 1.005 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.387 2.148 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.338 2.264 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.284 4.542 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.344 4.530 4.157 1.00 0.00 H new ATOM 629 N ASP A 49 2.290 3.720 6.039 1.00 0.00 N ATOM 630 CA ASP A 49 3.553 4.263 6.532 1.00 0.00 C ATOM 631 C ASP A 49 3.806 3.825 7.973 1.00 0.00 C ATOM 632 O ASP A 49 4.910 3.959 8.498 1.00 0.00 O ATOM 633 CB ASP A 49 3.519 5.794 6.440 1.00 0.00 C ATOM 634 CG ASP A 49 4.830 6.445 6.820 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.828 6.239 6.102 1.00 0.00 O ATOM 636 OD2 ASP A 49 4.858 7.176 7.826 1.00 0.00 O ATOM 0 H ASP A 49 1.485 4.330 6.184 1.00 0.00 H new ATOM 0 HA ASP A 49 4.367 3.880 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.259 6.084 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.731 6.173 7.091 1.00 0.00 H new ATOM 641 N HIS A 50 2.764 3.317 8.613 1.00 0.00 N ATOM 642 CA HIS A 50 2.857 2.881 9.999 1.00 0.00 C ATOM 643 C HIS A 50 2.336 1.466 10.170 1.00 0.00 C ATOM 644 O HIS A 50 1.658 1.175 11.156 1.00 0.00 O ATOM 645 CB HIS A 50 2.095 3.815 10.971 1.00 0.00 C ATOM 646 CG HIS A 50 1.148 4.811 10.347 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.026 5.206 10.952 1.00 0.00 N ATOM 648 CD2 HIS A 50 1.232 5.534 9.206 1.00 0.00 C ATOM 649 CE1 HIS A 50 -0.616 6.123 10.207 1.00 0.00 C ATOM 650 NE2 HIS A 50 0.127 6.342 9.141 1.00 0.00 N ATOM 0 H HIS A 50 1.842 3.196 8.194 1.00 0.00 H new ATOM 0 HA HIS A 50 3.917 2.916 10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.528 3.195 11.666 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.829 4.365 11.560 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.027 5.483 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.552 6.612 10.434 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.085 7.002 8.393 1.00 0.00 H new ATOM 659 N CYS A 51 2.652 0.587 9.221 1.00 0.00 N ATOM 660 CA CYS A 51 2.212 -0.810 9.295 1.00 0.00 C ATOM 661 C CYS A 51 3.012 -1.573 10.348 1.00 0.00 C ATOM 662 O CYS A 51 3.687 -2.561 10.053 1.00 0.00 O ATOM 663 CB CYS A 51 2.316 -1.507 7.931 1.00 0.00 C ATOM 664 SG CYS A 51 0.779 -1.473 6.949 1.00 0.00 S ATOM 0 H CYS A 51 3.207 0.812 8.396 1.00 0.00 H new ATOM 0 HA CYS A 51 1.162 -0.809 9.588 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.112 -1.035 7.355 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.610 -2.545 8.088 1.00 0.00 H new ATOM 669 N HIS A 52 2.923 -1.093 11.580 1.00 0.00 N ATOM 670 CA HIS A 52 3.611 -1.681 12.715 1.00 0.00 C ATOM 671 C HIS A 52 2.748 -1.549 13.961 1.00 0.00 C ATOM 672 O HIS A 52 1.633 -1.029 13.890 1.00 0.00 O ATOM 673 CB HIS A 52 4.955 -0.973 12.954 1.00 0.00 C ATOM 674 CG HIS A 52 4.853 0.517 13.180 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.729 1.141 13.687 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.763 1.499 12.988 1.00 0.00 C ATOM 677 CE1 HIS A 52 3.954 2.437 13.791 1.00 0.00 C ATOM 678 NE2 HIS A 52 5.182 2.683 13.374 1.00 0.00 N ATOM 0 H HIS A 52 2.364 -0.274 11.820 1.00 0.00 H new ATOM 0 HA HIS A 52 3.796 -2.734 12.502 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.440 -1.425 13.819 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.602 -1.153 12.096 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.764 1.375 12.602 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.252 3.172 14.156 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.626 3.601 13.343 1.00 0.00 H new ATOM 687 N GLY A 53 3.282 -1.971 15.096 1.00 0.00 N ATOM 688 CA GLY A 53 2.563 -1.849 16.352 1.00 0.00 C ATOM 689 C GLY A 53 1.237 -2.577 16.367 1.00 0.00 C ATOM 690 O GLY A 53 1.199 -3.805 16.434 1.00 0.00 O ATOM 0 H GLY A 53 4.205 -2.398 15.173 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.188 -2.235 17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.390 -0.793 16.560 1.00 0.00 H new ATOM 694 N VAL A 54 0.138 -1.827 16.317 1.00 0.00 N ATOM 695 CA VAL A 54 -1.170 -2.425 16.349 1.00 0.00 C ATOM 696 C VAL A 54 -1.695 -2.676 14.941 1.00 0.00 C ATOM 697 O VAL A 54 -2.753 -3.245 14.781 1.00 0.00 O ATOM 698 CB VAL A 54 -2.155 -1.532 17.119 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.719 -0.480 16.195 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.265 -2.347 17.762 1.00 0.00 C ATOM 0 H VAL A 54 0.140 -0.809 16.255 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.082 -3.383 16.862 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.613 -1.040 17.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.417 0.151 16.745 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.907 0.133 15.803 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.240 -0.963 15.369 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.942 -1.681 18.298 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.818 -2.882 16.990 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.833 -3.063 18.461 1.00 0.00 H new ATOM 710 N CYS A 55 -0.946 -2.266 13.918 1.00 0.00 N ATOM 711 CA CYS A 55 -1.360 -2.486 12.524 1.00 0.00 C ATOM 712 C CYS A 55 -1.478 -3.987 12.271 1.00 0.00 C ATOM 713 O CYS A 55 -2.152 -4.424 11.341 1.00 0.00 O ATOM 714 CB CYS A 55 -0.335 -1.890 11.573 1.00 0.00 C ATOM 715 SG CYS A 55 -1.036 -1.334 9.994 1.00 0.00 S ATOM 0 H CYS A 55 -0.054 -1.782 14.022 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.322 -2.003 12.353 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.152 -1.046 12.061 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.438 -2.633 11.375 1.00 0.00 H new ATOM 720 N LYS A 56 -0.838 -4.764 13.145 1.00 0.00 N ATOM 721 CA LYS A 56 -0.882 -6.216 13.074 1.00 0.00 C ATOM 722 C LYS A 56 -2.212 -6.689 13.654 1.00 0.00 C ATOM 723 O LYS A 56 -2.812 -7.652 13.175 1.00 0.00 O ATOM 724 CB LYS A 56 0.304 -6.811 13.842 1.00 0.00 C ATOM 725 CG LYS A 56 0.552 -8.283 13.560 1.00 0.00 C ATOM 726 CD LYS A 56 1.876 -8.736 14.147 1.00 0.00 C ATOM 727 CE LYS A 56 2.133 -10.210 13.873 1.00 0.00 C ATOM 728 NZ LYS A 56 1.118 -11.079 14.532 1.00 0.00 N ATOM 0 H LYS A 56 -0.278 -4.402 13.917 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.807 -6.550 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.203 -6.248 13.592 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.133 -6.681 14.911 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.258 -8.879 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.550 -8.456 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.685 -8.140 13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.878 -8.559 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.121 -10.388 12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.128 -10.478 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.442 -12.067 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.990 -10.776 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.213 -11.001 14.026 1.00 0.00 H new ATOM 742 N ASP A 57 -2.688 -5.954 14.662 1.00 0.00 N ATOM 743 CA ASP A 57 -3.976 -6.226 15.292 1.00 0.00 C ATOM 744 C ASP A 57 -5.056 -5.642 14.398 1.00 0.00 C ATOM 745 O ASP A 57 -6.162 -6.169 14.281 1.00 0.00 O ATOM 746 CB ASP A 57 -4.050 -5.570 16.671 1.00 0.00 C ATOM 747 CG ASP A 57 -4.787 -6.424 17.674 1.00 0.00 C ATOM 748 OD1 ASP A 57 -6.030 -6.486 17.603 1.00 0.00 O ATOM 749 OD2 ASP A 57 -4.126 -7.061 18.515 1.00 0.00 O ATOM 0 H ASP A 57 -2.191 -5.157 15.061 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.108 -7.300 15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.040 -5.377 17.034 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.547 -4.604 16.585 1.00 0.00 H new ATOM 754 N LEU A 58 -4.669 -4.549 13.748 1.00 0.00 N ATOM 755 CA LEU A 58 -5.478 -3.824 12.810 1.00 0.00 C ATOM 756 C LEU A 58 -5.858 -4.789 11.690 1.00 0.00 C ATOM 757 O LEU A 58 -7.042 -5.033 11.441 1.00 0.00 O ATOM 758 CB LEU A 58 -4.616 -2.659 12.299 1.00 0.00 C ATOM 759 CG LEU A 58 -5.035 -1.227 12.674 1.00 0.00 C ATOM 760 CD1 LEU A 58 -5.066 -1.045 14.177 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.076 -0.225 12.046 1.00 0.00 C ATOM 0 H LEU A 58 -3.744 -4.138 13.875 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.396 -3.426 13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.599 -2.814 12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.582 -2.722 11.211 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.040 -1.053 12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.365 -0.024 14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.781 -1.743 14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.075 -1.237 14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.379 0.787 12.316 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.066 -0.411 12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.096 -0.333 10.962 1.00 0.00 H new ATOM 773 N HIS A 59 -4.821 -5.348 11.043 1.00 0.00 N ATOM 774 CA HIS A 59 -4.978 -6.320 9.961 1.00 0.00 C ATOM 775 C HIS A 59 -5.576 -5.623 8.775 1.00 0.00 C ATOM 776 O HIS A 59 -6.759 -5.767 8.462 1.00 0.00 O ATOM 777 CB HIS A 59 -5.835 -7.513 10.393 1.00 0.00 C ATOM 778 CG HIS A 59 -5.457 -8.788 9.713 1.00 0.00 C ATOM 779 ND1 HIS A 59 -4.181 -9.312 9.760 1.00 0.00 N ATOM 780 CD2 HIS A 59 -6.191 -9.657 8.980 1.00 0.00 C ATOM 781 CE1 HIS A 59 -4.149 -10.448 9.087 1.00 0.00 C ATOM 782 NE2 HIS A 59 -5.356 -10.680 8.604 1.00 0.00 N ATOM 0 H HIS A 59 -3.848 -5.134 11.261 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.000 -6.722 9.696 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.746 -7.644 11.471 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.882 -7.294 10.184 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.239 -9.563 8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.283 -11.080 8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.624 -11.488 8.043 1.00 0.00 H new ATOM 791 N LEU A 60 -4.751 -4.812 8.166 1.00 0.00 N ATOM 792 CA LEU A 60 -5.165 -4.006 7.054 1.00 0.00 C ATOM 793 C LEU A 60 -4.105 -4.054 5.940 1.00 0.00 C ATOM 794 O LEU A 60 -4.365 -3.687 4.791 1.00 0.00 O ATOM 795 CB LEU A 60 -5.474 -2.610 7.658 1.00 0.00 C ATOM 796 CG LEU A 60 -4.816 -1.352 7.090 1.00 0.00 C ATOM 797 CD1 LEU A 60 -5.165 -0.176 7.975 1.00 0.00 C ATOM 798 CD2 LEU A 60 -3.319 -1.466 7.025 1.00 0.00 C ATOM 0 H LEU A 60 -3.773 -4.694 8.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.063 -4.359 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.552 -2.465 7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.220 -2.655 8.717 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.189 -1.217 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.701 0.727 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.247 -0.047 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.799 -0.360 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.902 -0.547 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.923 -1.629 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.045 -2.306 6.386 1.00 0.00 H new ATOM 810 N CYS A 61 -2.914 -4.553 6.294 1.00 0.00 N ATOM 811 CA CYS A 61 -1.812 -4.702 5.348 1.00 0.00 C ATOM 812 C CYS A 61 -1.104 -6.028 5.591 1.00 0.00 C ATOM 813 O CYS A 61 -1.561 -6.787 6.466 1.00 0.00 O ATOM 814 CB CYS A 61 -0.800 -3.547 5.447 1.00 0.00 C ATOM 815 SG CYS A 61 0.019 -3.354 7.065 1.00 0.00 S ATOM 816 OXT CYS A 61 -0.103 -6.305 4.904 1.00 0.00 O ATOM 0 H CYS A 61 -2.692 -4.862 7.240 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.236 -4.681 4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.033 -3.694 4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -1.313 -2.616 5.206 1.00 0.00 H new TER 821 CYS A 61