USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot -67:sc= 0.293 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0 (180deg=-0.197) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 84:sc= 0.0357 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 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 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 8:sc= 0.171 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 17:sc= 1.19 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc=-0.00111 (180deg=-0.0603) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.605 7.328 11.237 1.00 0.00 N ATOM 2 CA MET A 1 -4.408 6.297 11.956 1.00 0.00 C ATOM 3 C MET A 1 -5.427 5.666 11.013 1.00 0.00 C ATOM 4 O MET A 1 -5.281 4.497 10.611 1.00 0.00 O ATOM 5 CB MET A 1 -5.032 6.836 13.260 1.00 0.00 C ATOM 6 CG MET A 1 -5.852 5.780 14.019 1.00 0.00 C ATOM 7 SD MET A 1 -6.489 6.352 15.618 1.00 0.00 S ATOM 8 CE MET A 1 -7.463 4.896 16.083 1.00 0.00 C ATOM 0 H1 MET A 1 -3.089 7.910 11.927 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.927 6.860 10.603 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.239 7.935 10.679 1.00 0.00 H new ATOM 0 HA MET A 1 -3.733 5.505 12.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.239 7.206 13.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.674 7.685 13.025 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.690 5.469 13.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.231 4.899 14.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.934 5.067 17.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.232 4.718 15.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.809 4.026 16.146 1.00 0.00 H new ATOM 17 N LYS A 2 -6.487 6.397 10.624 1.00 0.00 N ATOM 18 CA LYS A 2 -7.242 6.085 9.396 1.00 0.00 C ATOM 19 C LYS A 2 -6.399 6.362 8.145 1.00 0.00 C ATOM 20 O LYS A 2 -5.564 7.271 8.134 1.00 0.00 O ATOM 21 CB LYS A 2 -8.579 6.843 9.327 1.00 0.00 C ATOM 22 CG LYS A 2 -9.673 6.169 10.172 1.00 0.00 C ATOM 23 CD LYS A 2 -11.076 6.692 9.822 1.00 0.00 C ATOM 24 CE LYS A 2 -11.299 8.183 10.119 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.433 8.454 11.575 1.00 0.00 N ATOM 0 H LYS A 2 -6.839 7.204 11.139 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.474 5.020 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.433 7.866 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.908 6.902 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.639 5.091 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.474 6.345 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.261 6.515 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.814 6.111 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.465 8.760 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.197 8.523 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.582 9.472 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.245 7.925 11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.566 8.154 12.065 1.00 0.00 H new ATOM 39 N ILE A 3 -6.630 5.562 7.109 1.00 0.00 N ATOM 40 CA ILE A 3 -5.954 5.568 5.804 1.00 0.00 C ATOM 41 C ILE A 3 -6.955 5.230 4.687 1.00 0.00 C ATOM 42 O ILE A 3 -8.039 4.699 4.952 1.00 0.00 O ATOM 43 CB ILE A 3 -4.757 4.578 5.789 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.183 3.095 5.924 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.712 4.941 6.859 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.071 2.111 5.544 1.00 0.00 C ATOM 0 H ILE A 3 -7.346 4.837 7.157 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.559 6.568 5.628 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.301 4.683 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.492 2.905 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.052 2.914 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.889 4.228 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.332 5.945 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.175 4.908 7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.434 1.090 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.778 2.276 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.210 2.266 6.194 1.00 0.00 H new ATOM 58 N LYS A 4 -6.572 5.471 3.429 1.00 0.00 N ATOM 59 CA LYS A 4 -7.286 4.974 2.239 1.00 0.00 C ATOM 60 C LYS A 4 -6.351 4.198 1.313 1.00 0.00 C ATOM 61 O LYS A 4 -5.241 4.648 1.025 1.00 0.00 O ATOM 62 CB LYS A 4 -8.000 6.128 1.513 1.00 0.00 C ATOM 63 CG LYS A 4 -9.421 6.343 2.055 1.00 0.00 C ATOM 64 CD LYS A 4 -10.083 7.554 1.385 1.00 0.00 C ATOM 65 CE LYS A 4 -11.549 7.662 1.823 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.200 8.877 1.264 1.00 0.00 N ATOM 0 H LYS A 4 -5.746 6.024 3.201 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.053 4.272 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.423 7.045 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.046 5.914 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.021 5.451 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.384 6.494 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.547 8.465 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.025 7.456 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.093 6.775 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.603 7.688 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.190 8.917 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.696 9.724 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.170 8.840 0.225 1.00 0.00 H new ATOM 80 N ILE A 5 -6.814 3.045 0.834 1.00 0.00 N ATOM 81 CA ILE A 5 -6.101 2.180 -0.117 1.00 0.00 C ATOM 82 C ILE A 5 -6.970 2.005 -1.368 1.00 0.00 C ATOM 83 O ILE A 5 -8.150 1.676 -1.250 1.00 0.00 O ATOM 84 CB ILE A 5 -5.737 0.819 0.533 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.836 0.973 1.785 1.00 0.00 C ATOM 86 CG2 ILE A 5 -5.032 -0.096 -0.491 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.847 -0.261 2.697 1.00 0.00 C ATOM 0 H ILE A 5 -7.724 2.671 1.103 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.158 2.645 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.677 0.370 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.813 1.171 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.165 1.841 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.783 -1.047 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.695 -0.274 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.119 0.385 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.196 -0.086 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.863 -0.447 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.490 -1.128 2.141 1.00 0.00 H new ATOM 99 N VAL A 6 -6.401 2.198 -2.563 1.00 0.00 N ATOM 100 CA VAL A 6 -7.063 1.941 -3.857 1.00 0.00 C ATOM 101 C VAL A 6 -6.267 0.915 -4.683 1.00 0.00 C ATOM 102 O VAL A 6 -5.273 1.270 -5.323 1.00 0.00 O ATOM 103 CB VAL A 6 -7.394 3.253 -4.605 1.00 0.00 C ATOM 104 CG1 VAL A 6 -6.221 4.210 -4.844 1.00 0.00 C ATOM 105 CG2 VAL A 6 -8.077 2.970 -5.948 1.00 0.00 C ATOM 0 H VAL A 6 -5.447 2.545 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.034 1.481 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.065 3.767 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.575 5.093 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.795 4.509 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.458 3.709 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.297 3.912 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.415 2.371 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.005 2.425 -5.776 1.00 0.00 H new ATOM 115 N PRO A 7 -6.662 -0.374 -4.664 1.00 0.00 N ATOM 116 CA PRO A 7 -6.092 -1.399 -5.531 1.00 0.00 C ATOM 117 C PRO A 7 -6.777 -1.413 -6.908 1.00 0.00 C ATOM 118 O PRO A 7 -7.995 -1.263 -7.015 1.00 0.00 O ATOM 119 CB PRO A 7 -6.302 -2.711 -4.772 1.00 0.00 C ATOM 120 CG PRO A 7 -7.630 -2.485 -4.049 1.00 0.00 C ATOM 121 CD PRO A 7 -7.651 -0.978 -3.773 1.00 0.00 C ATOM 0 HA PRO A 7 -5.038 -1.222 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.351 -3.564 -5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.490 -2.906 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.476 -2.790 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.684 -3.061 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.642 -0.564 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.409 -0.772 -2.730 1.00 0.00 H new ATOM 129 N ALA A 8 -6.014 -1.681 -7.968 1.00 0.00 N ATOM 130 CA ALA A 8 -6.495 -1.880 -9.342 1.00 0.00 C ATOM 131 C ALA A 8 -7.174 -3.261 -9.569 1.00 0.00 C ATOM 132 O ALA A 8 -7.035 -3.868 -10.635 1.00 0.00 O ATOM 133 CB ALA A 8 -5.311 -1.622 -10.287 1.00 0.00 C ATOM 0 H ALA A 8 -5.001 -1.770 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.296 -1.172 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.632 -1.761 -11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.954 -0.601 -10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.506 -2.321 -10.060 1.00 0.00 H new ATOM 139 N VAL A 9 -7.874 -3.784 -8.555 1.00 0.00 N ATOM 140 CA VAL A 9 -8.366 -5.173 -8.458 1.00 0.00 C ATOM 141 C VAL A 9 -9.827 -5.199 -7.990 1.00 0.00 C ATOM 142 O VAL A 9 -10.230 -4.378 -7.160 1.00 0.00 O ATOM 143 CB VAL A 9 -7.470 -6.007 -7.511 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.885 -7.485 -7.451 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.992 -5.974 -7.925 1.00 0.00 C ATOM 0 H VAL A 9 -8.127 -3.228 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.319 -5.622 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.602 -5.541 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.222 -8.022 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.911 -7.560 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.816 -7.923 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.406 -6.574 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.887 -6.379 -8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.633 -4.945 -7.909 1.00 0.00 H new ATOM 155 N GLY A 10 -10.627 -6.142 -8.501 1.00 0.00 N ATOM 156 CA GLY A 10 -12.024 -6.342 -8.097 1.00 0.00 C ATOM 157 C GLY A 10 -12.902 -5.129 -8.425 1.00 0.00 C ATOM 158 O GLY A 10 -13.099 -4.797 -9.597 1.00 0.00 O ATOM 0 H GLY A 10 -10.317 -6.798 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.423 -7.223 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.066 -6.539 -7.026 1.00 0.00 H new ATOM 162 N GLY A 11 -13.408 -4.450 -7.391 1.00 0.00 N ATOM 163 CA GLY A 11 -14.172 -3.200 -7.523 1.00 0.00 C ATOM 164 C GLY A 11 -13.355 -2.003 -8.040 1.00 0.00 C ATOM 165 O GLY A 11 -13.936 -1.048 -8.560 1.00 0.00 O ATOM 0 H GLY A 11 -13.298 -4.755 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.010 -3.371 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.594 -2.943 -6.551 1.00 0.00 H new ATOM 169 N GLY A 12 -12.018 -2.045 -7.933 1.00 0.00 N ATOM 170 CA GLY A 12 -11.105 -1.019 -8.464 1.00 0.00 C ATOM 171 C GLY A 12 -11.165 0.349 -7.760 1.00 0.00 C ATOM 172 O GLY A 12 -10.666 1.339 -8.298 1.00 0.00 O ATOM 0 H GLY A 12 -11.530 -2.809 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.085 -1.397 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.325 -0.874 -9.522 1.00 0.00 H new ATOM 176 N SER A 13 -11.816 0.423 -6.595 1.00 0.00 N ATOM 177 CA SER A 13 -12.204 1.657 -5.891 1.00 0.00 C ATOM 178 C SER A 13 -11.431 1.868 -4.576 1.00 0.00 C ATOM 179 O SER A 13 -10.954 0.895 -3.980 1.00 0.00 O ATOM 180 CB SER A 13 -13.721 1.617 -5.638 1.00 0.00 C ATOM 181 OG SER A 13 -14.105 0.471 -4.887 1.00 0.00 O ATOM 0 H SER A 13 -12.102 -0.415 -6.089 1.00 0.00 H new ATOM 0 HA SER A 13 -11.946 2.507 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.024 2.518 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.248 1.619 -6.592 1.00 0.00 H new ATOM 0 HG SER A 13 -15.075 0.482 -4.746 1.00 0.00 H new ATOM 187 N PRO A 14 -11.300 3.120 -4.084 1.00 0.00 N ATOM 188 CA PRO A 14 -10.721 3.403 -2.770 1.00 0.00 C ATOM 189 C PRO A 14 -11.556 2.811 -1.625 1.00 0.00 C ATOM 190 O PRO A 14 -12.790 2.791 -1.675 1.00 0.00 O ATOM 191 CB PRO A 14 -10.625 4.931 -2.673 1.00 0.00 C ATOM 192 CG PRO A 14 -11.734 5.414 -3.606 1.00 0.00 C ATOM 193 CD PRO A 14 -11.728 4.363 -4.715 1.00 0.00 C ATOM 0 HA PRO A 14 -9.741 2.937 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.779 5.279 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.647 5.293 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.697 5.460 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.530 6.412 -3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.718 4.256 -5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.049 4.647 -5.519 1.00 0.00 H new ATOM 201 N LEU A 15 -10.870 2.366 -0.570 1.00 0.00 N ATOM 202 CA LEU A 15 -11.451 1.770 0.635 1.00 0.00 C ATOM 203 C LEU A 15 -10.785 2.361 1.887 1.00 0.00 C ATOM 204 O LEU A 15 -9.558 2.402 1.993 1.00 0.00 O ATOM 205 CB LEU A 15 -11.294 0.232 0.566 1.00 0.00 C ATOM 206 CG LEU A 15 -12.599 -0.540 0.831 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.370 -2.035 0.601 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.114 -0.356 2.261 1.00 0.00 C ATOM 0 H LEU A 15 -9.852 2.413 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.515 2.001 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.915 -0.041 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.545 -0.080 1.293 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.343 -0.140 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.296 -2.578 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.056 -2.201 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.595 -2.393 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.036 -0.922 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.365 -0.715 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.308 0.701 2.445 1.00 0.00 H new ATOM 220 N GLU A 16 -11.603 2.819 2.836 1.00 0.00 N ATOM 221 CA GLU A 16 -11.168 3.295 4.154 1.00 0.00 C ATOM 222 C GLU A 16 -10.751 2.127 5.068 1.00 0.00 C ATOM 223 O GLU A 16 -11.464 1.125 5.182 1.00 0.00 O ATOM 224 CB GLU A 16 -12.305 4.122 4.779 1.00 0.00 C ATOM 225 CG GLU A 16 -11.978 4.696 6.164 1.00 0.00 C ATOM 226 CD GLU A 16 -13.178 5.483 6.721 1.00 0.00 C ATOM 227 OE1 GLU A 16 -13.312 6.692 6.412 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.997 4.898 7.471 1.00 0.00 O ATOM 0 H GLU A 16 -12.614 2.871 2.708 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.285 3.924 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.553 4.944 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.193 3.496 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.718 3.887 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.108 5.349 6.097 1.00 0.00 H new ATOM 235 N LEU A 17 -9.621 2.280 5.761 1.00 0.00 N ATOM 236 CA LEU A 17 -9.101 1.352 6.773 1.00 0.00 C ATOM 237 C LEU A 17 -8.457 2.125 7.936 1.00 0.00 C ATOM 238 O LEU A 17 -8.202 3.323 7.836 1.00 0.00 O ATOM 239 CB LEU A 17 -8.087 0.377 6.125 1.00 0.00 C ATOM 240 CG LEU A 17 -8.686 -1.006 5.789 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.951 -1.177 4.293 1.00 0.00 C ATOM 242 CD2 LEU A 17 -7.725 -2.118 6.221 1.00 0.00 C ATOM 0 H LEU A 17 -9.015 3.089 5.628 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.929 0.770 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.697 0.826 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.242 0.243 6.800 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.632 -1.071 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.372 -2.165 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.655 -0.415 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.015 -1.073 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.159 -3.088 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.776 -2.003 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.555 -2.055 7.296 1.00 0.00 H new ATOM 254 N GLU A 18 -8.154 1.427 9.030 1.00 0.00 N ATOM 255 CA GLU A 18 -7.300 1.906 10.121 1.00 0.00 C ATOM 256 C GLU A 18 -6.114 0.952 10.356 1.00 0.00 C ATOM 257 O GLU A 18 -6.249 -0.269 10.225 1.00 0.00 O ATOM 258 CB GLU A 18 -8.112 2.168 11.403 1.00 0.00 C ATOM 259 CG GLU A 18 -8.846 0.953 11.999 1.00 0.00 C ATOM 260 CD GLU A 18 -10.130 0.586 11.231 1.00 0.00 C ATOM 261 OE1 GLU A 18 -11.122 1.352 11.293 1.00 0.00 O ATOM 262 OE2 GLU A 18 -10.167 -0.486 10.577 1.00 0.00 O ATOM 0 H GLU A 18 -8.506 0.483 9.188 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.880 2.866 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.438 2.567 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.848 2.943 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.174 0.095 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.099 1.163 13.038 1.00 0.00 H new ATOM 269 N VAL A 19 -4.946 1.509 10.692 1.00 0.00 N ATOM 270 CA VAL A 19 -3.680 0.772 10.889 1.00 0.00 C ATOM 271 C VAL A 19 -2.863 1.331 12.060 1.00 0.00 C ATOM 272 O VAL A 19 -3.023 2.489 12.460 1.00 0.00 O ATOM 273 CB VAL A 19 -2.812 0.738 9.607 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.500 -0.004 8.455 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.395 2.132 9.122 1.00 0.00 C ATOM 0 H VAL A 19 -4.846 2.513 10.840 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.968 -0.251 11.129 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.914 0.194 9.899 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.850 0.001 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.700 -1.033 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.439 0.492 8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.789 2.038 8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.285 2.722 8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.814 2.629 9.899 1.00 0.00 H new ATOM 285 N ALA A 20 -1.967 0.505 12.607 1.00 0.00 N ATOM 286 CA ALA A 20 -1.021 0.893 13.655 1.00 0.00 C ATOM 287 C ALA A 20 0.024 1.920 13.149 1.00 0.00 C ATOM 288 O ALA A 20 0.432 1.857 11.985 1.00 0.00 O ATOM 289 CB ALA A 20 -0.348 -0.382 14.183 1.00 0.00 C ATOM 0 H ALA A 20 -1.878 -0.472 12.328 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.559 1.392 14.461 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.363 -0.120 14.967 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.106 -1.052 14.590 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.177 -0.880 13.368 1.00 0.00 H new ATOM 295 N PRO A 21 0.534 2.826 14.010 1.00 0.00 N ATOM 296 CA PRO A 21 1.533 3.838 13.631 1.00 0.00 C ATOM 297 C PRO A 21 2.915 3.248 13.275 1.00 0.00 C ATOM 298 O PRO A 21 3.726 3.904 12.615 1.00 0.00 O ATOM 299 CB PRO A 21 1.606 4.771 14.847 1.00 0.00 C ATOM 300 CG PRO A 21 1.270 3.859 16.023 1.00 0.00 C ATOM 301 CD PRO A 21 0.198 2.952 15.424 1.00 0.00 C ATOM 0 HA PRO A 21 1.239 4.353 12.717 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.597 5.213 14.953 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.897 5.594 14.763 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.138 3.295 16.363 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.898 4.419 16.881 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.191 1.978 15.913 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.796 3.381 15.554 1.00 0.00 H new ATOM 309 N ASN A 22 3.180 2.000 13.680 1.00 0.00 N ATOM 310 CA ASN A 22 4.379 1.232 13.325 1.00 0.00 C ATOM 311 C ASN A 22 4.310 0.560 11.938 1.00 0.00 C ATOM 312 O ASN A 22 5.312 -0.012 11.499 1.00 0.00 O ATOM 313 CB ASN A 22 4.637 0.185 14.424 1.00 0.00 C ATOM 314 CG ASN A 22 4.915 0.811 15.781 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.820 1.617 15.946 1.00 0.00 O ATOM 316 ND2 ASN A 22 4.153 0.464 16.794 1.00 0.00 N ATOM 0 H ASN A 22 2.544 1.480 14.284 1.00 0.00 H new ATOM 0 HA ASN A 22 5.207 1.938 13.257 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.771 -0.473 14.503 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.485 -0.437 14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.317 0.867 17.717 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.398 -0.208 16.657 1.00 0.00 H new ATOM 323 N ALA A 23 3.165 0.600 11.242 1.00 0.00 N ATOM 324 CA ALA A 23 3.024 0.023 9.904 1.00 0.00 C ATOM 325 C ALA A 23 4.023 0.656 8.913 1.00 0.00 C ATOM 326 O ALA A 23 4.285 1.863 8.957 1.00 0.00 O ATOM 327 CB ALA A 23 1.571 0.168 9.430 1.00 0.00 C ATOM 0 H ALA A 23 2.312 1.034 11.594 1.00 0.00 H new ATOM 0 HA ALA A 23 3.264 -1.039 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.469 -0.262 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.909 -0.354 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.302 1.224 9.399 1.00 0.00 H new ATOM 333 N THR A 24 4.580 -0.164 8.017 1.00 0.00 N ATOM 334 CA THR A 24 5.595 0.247 7.032 1.00 0.00 C ATOM 335 C THR A 24 5.230 -0.228 5.627 1.00 0.00 C ATOM 336 O THR A 24 4.633 -1.294 5.455 1.00 0.00 O ATOM 337 CB THR A 24 7.004 -0.196 7.465 1.00 0.00 C ATOM 338 OG1 THR A 24 7.960 0.450 6.655 1.00 0.00 O ATOM 339 CG2 THR A 24 7.271 -1.697 7.348 1.00 0.00 C ATOM 0 H THR A 24 4.336 -1.152 7.952 1.00 0.00 H new ATOM 0 HA THR A 24 5.611 1.336 6.995 1.00 0.00 H new ATOM 0 HB THR A 24 7.075 0.070 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.860 0.173 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.288 -1.912 7.675 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.565 -2.242 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.150 -2.008 6.310 1.00 0.00 H new ATOM 347 N VAL A 25 5.572 0.563 4.607 1.00 0.00 N ATOM 348 CA VAL A 25 5.104 0.354 3.224 1.00 0.00 C ATOM 349 C VAL A 25 5.603 -0.976 2.649 1.00 0.00 C ATOM 350 O VAL A 25 4.851 -1.670 1.964 1.00 0.00 O ATOM 351 CB VAL A 25 5.491 1.550 2.326 1.00 0.00 C ATOM 352 CG1 VAL A 25 4.869 1.425 0.931 1.00 0.00 C ATOM 353 CG2 VAL A 25 4.998 2.874 2.931 1.00 0.00 C ATOM 0 H VAL A 25 6.184 1.372 4.712 1.00 0.00 H new ATOM 0 HA VAL A 25 4.016 0.296 3.247 1.00 0.00 H new ATOM 0 HB VAL A 25 6.579 1.544 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.161 2.282 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.220 0.509 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.783 1.395 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.283 3.700 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.913 2.847 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.448 3.015 3.914 1.00 0.00 H new ATOM 363 N GLY A 26 6.822 -1.399 3.005 1.00 0.00 N ATOM 364 CA GLY A 26 7.368 -2.706 2.620 1.00 0.00 C ATOM 365 C GLY A 26 6.561 -3.897 3.154 1.00 0.00 C ATOM 366 O GLY A 26 6.385 -4.883 2.439 1.00 0.00 O ATOM 0 H GLY A 26 7.461 -0.841 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.409 -2.766 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.393 -2.782 2.983 1.00 0.00 H new ATOM 370 N ALA A 27 6.004 -3.801 4.367 1.00 0.00 N ATOM 371 CA ALA A 27 5.157 -4.846 4.951 1.00 0.00 C ATOM 372 C ALA A 27 3.780 -4.923 4.267 1.00 0.00 C ATOM 373 O ALA A 27 3.312 -6.018 3.951 1.00 0.00 O ATOM 374 CB ALA A 27 5.026 -4.603 6.460 1.00 0.00 C ATOM 0 H ALA A 27 6.129 -2.991 4.974 1.00 0.00 H new ATOM 0 HA ALA A 27 5.631 -5.813 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.397 -5.377 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.014 -4.633 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.574 -3.626 6.633 1.00 0.00 H new ATOM 380 N VAL A 28 3.159 -3.773 3.969 1.00 0.00 N ATOM 381 CA VAL A 28 1.884 -3.702 3.226 1.00 0.00 C ATOM 382 C VAL A 28 2.050 -4.268 1.809 1.00 0.00 C ATOM 383 O VAL A 28 1.245 -5.092 1.370 1.00 0.00 O ATOM 384 CB VAL A 28 1.334 -2.259 3.190 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.001 -2.165 2.435 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.092 -1.712 4.604 1.00 0.00 C ATOM 0 H VAL A 28 3.525 -2.859 4.236 1.00 0.00 H new ATOM 0 HA VAL A 28 1.154 -4.316 3.753 1.00 0.00 H new ATOM 0 HB VAL A 28 2.095 -1.672 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.348 -1.132 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.138 -2.500 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.742 -2.797 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.705 -0.695 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.368 -2.343 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.030 -1.709 5.158 1.00 0.00 H new ATOM 396 N ARG A 29 3.140 -3.900 1.120 1.00 0.00 N ATOM 397 CA ARG A 29 3.508 -4.435 -0.203 1.00 0.00 C ATOM 398 C ARG A 29 3.724 -5.950 -0.156 1.00 0.00 C ATOM 399 O ARG A 29 3.142 -6.672 -0.965 1.00 0.00 O ATOM 400 CB ARG A 29 4.749 -3.679 -0.709 1.00 0.00 C ATOM 401 CG ARG A 29 5.063 -3.943 -2.190 1.00 0.00 C ATOM 402 CD ARG A 29 6.164 -2.981 -2.656 1.00 0.00 C ATOM 403 NE ARG A 29 6.487 -3.169 -4.085 1.00 0.00 N ATOM 404 CZ ARG A 29 7.092 -2.301 -4.875 1.00 0.00 C ATOM 405 NH1 ARG A 29 7.410 -1.102 -4.477 1.00 0.00 N ATOM 406 NH2 ARG A 29 7.388 -2.622 -6.101 1.00 0.00 N ATOM 0 H ARG A 29 3.804 -3.210 1.471 1.00 0.00 H new ATOM 0 HA ARG A 29 2.690 -4.277 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.599 -2.609 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.611 -3.965 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.385 -4.975 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.166 -3.806 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.844 -1.953 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.061 -3.137 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 29 6.215 -4.059 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.192 -0.806 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.877 -0.459 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.153 -3.549 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.855 -1.947 -6.706 1.00 0.00 H new ATOM 420 N THR A 30 4.479 -6.441 0.831 1.00 0.00 N ATOM 421 CA THR A 30 4.732 -7.881 1.037 1.00 0.00 C ATOM 422 C THR A 30 3.434 -8.659 1.271 1.00 0.00 C ATOM 423 O THR A 30 3.222 -9.688 0.628 1.00 0.00 O ATOM 424 CB THR A 30 5.715 -8.119 2.200 1.00 0.00 C ATOM 425 OG1 THR A 30 6.969 -7.548 1.896 1.00 0.00 O ATOM 426 CG2 THR A 30 5.977 -9.601 2.483 1.00 0.00 C ATOM 0 H THR A 30 4.940 -5.848 1.521 1.00 0.00 H new ATOM 0 HA THR A 30 5.187 -8.255 0.120 1.00 0.00 H new ATOM 0 HB THR A 30 5.246 -7.665 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.935 -6.581 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.677 -9.695 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.040 -10.093 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.401 -10.071 1.596 1.00 0.00 H new ATOM 434 N LYS A 31 2.530 -8.159 2.126 1.00 0.00 N ATOM 435 CA LYS A 31 1.225 -8.790 2.399 1.00 0.00 C ATOM 436 C LYS A 31 0.359 -8.908 1.146 1.00 0.00 C ATOM 437 O LYS A 31 -0.219 -9.968 0.918 1.00 0.00 O ATOM 438 CB LYS A 31 0.480 -8.009 3.500 1.00 0.00 C ATOM 439 CG LYS A 31 0.968 -8.338 4.922 1.00 0.00 C ATOM 440 CD LYS A 31 0.157 -9.444 5.624 1.00 0.00 C ATOM 441 CE LYS A 31 0.188 -10.797 4.899 1.00 0.00 C ATOM 442 NZ LYS A 31 -0.552 -11.839 5.657 1.00 0.00 N ATOM 0 H LYS A 31 2.683 -7.299 2.653 1.00 0.00 H new ATOM 0 HA LYS A 31 1.421 -9.805 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.600 -6.940 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.586 -8.226 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.013 -8.643 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.927 -7.432 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.542 -9.576 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.879 -9.117 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.249 -10.689 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.222 -11.113 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.511 -12.740 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.119 -11.959 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.544 -11.548 5.768 1.00 0.00 H new ATOM 456 N VAL A 32 0.293 -7.870 0.311 1.00 0.00 N ATOM 457 CA VAL A 32 -0.500 -7.910 -0.931 1.00 0.00 C ATOM 458 C VAL A 32 0.134 -8.817 -1.991 1.00 0.00 C ATOM 459 O VAL A 32 -0.577 -9.624 -2.589 1.00 0.00 O ATOM 460 CB VAL A 32 -0.805 -6.493 -1.449 1.00 0.00 C ATOM 461 CG1 VAL A 32 -1.524 -6.524 -2.803 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.723 -5.781 -0.443 1.00 0.00 C ATOM 0 H VAL A 32 0.778 -6.987 0.468 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.462 -8.364 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 32 0.144 -5.971 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.721 -5.504 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.896 -7.028 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.467 -7.061 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.945 -4.776 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.652 -6.342 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.224 -5.720 0.524 1.00 0.00 H new ATOM 472 N CYS A 33 1.459 -8.794 -2.171 1.00 0.00 N ATOM 473 CA CYS A 33 2.155 -9.751 -3.045 1.00 0.00 C ATOM 474 C CYS A 33 1.963 -11.211 -2.585 1.00 0.00 C ATOM 475 O CYS A 33 1.769 -12.095 -3.422 1.00 0.00 O ATOM 476 CB CYS A 33 3.643 -9.382 -3.127 1.00 0.00 C ATOM 477 SG CYS A 33 3.853 -7.810 -4.017 1.00 0.00 S ATOM 0 H CYS A 33 2.077 -8.119 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 33 1.714 -9.685 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.060 -9.299 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.194 -10.173 -3.636 1.00 0.00 H new ATOM 0 HG CYS A 33 3.682 -6.819 -3.193 1.00 0.00 H new ATOM 483 N ALA A 34 1.937 -11.469 -1.271 1.00 0.00 N ATOM 484 CA ALA A 34 1.642 -12.784 -0.694 1.00 0.00 C ATOM 485 C ALA A 34 0.169 -13.211 -0.879 1.00 0.00 C ATOM 486 O ALA A 34 -0.093 -14.375 -1.174 1.00 0.00 O ATOM 487 CB ALA A 34 2.038 -12.768 0.788 1.00 0.00 C ATOM 0 H ALA A 34 2.124 -10.755 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 34 2.227 -13.531 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.824 -13.740 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.103 -12.554 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.468 -11.998 1.309 1.00 0.00 H new ATOM 493 N MET A 35 -0.794 -12.286 -0.772 1.00 0.00 N ATOM 494 CA MET A 35 -2.215 -12.549 -1.068 1.00 0.00 C ATOM 495 C MET A 35 -2.463 -12.837 -2.559 1.00 0.00 C ATOM 496 O MET A 35 -3.261 -13.715 -2.899 1.00 0.00 O ATOM 497 CB MET A 35 -3.078 -11.359 -0.614 1.00 0.00 C ATOM 498 CG MET A 35 -3.266 -11.311 0.906 1.00 0.00 C ATOM 499 SD MET A 35 -4.378 -12.593 1.555 1.00 0.00 S ATOM 500 CE MET A 35 -4.468 -12.066 3.287 1.00 0.00 C ATOM 0 H MET A 35 -0.611 -11.327 -0.476 1.00 0.00 H new ATOM 0 HA MET A 35 -2.497 -13.444 -0.514 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.614 -10.431 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.054 -11.419 -1.095 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.292 -11.413 1.385 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.657 -10.332 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.115 -12.746 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.469 -12.079 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.874 -11.056 3.339 1.00 0.00 H new ATOM 510 N LYS A 36 -1.764 -12.130 -3.456 1.00 0.00 N ATOM 511 CA LYS A 36 -1.787 -12.355 -4.916 1.00 0.00 C ATOM 512 C LYS A 36 -1.001 -13.603 -5.354 1.00 0.00 C ATOM 513 O LYS A 36 -1.257 -14.125 -6.440 1.00 0.00 O ATOM 514 CB LYS A 36 -1.222 -11.102 -5.618 1.00 0.00 C ATOM 515 CG LYS A 36 -2.054 -9.813 -5.454 1.00 0.00 C ATOM 516 CD LYS A 36 -3.082 -9.560 -6.571 1.00 0.00 C ATOM 517 CE LYS A 36 -4.192 -10.614 -6.705 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.103 -10.639 -5.526 1.00 0.00 N ATOM 0 H LYS A 36 -1.148 -11.364 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.823 -12.533 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.218 -10.916 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.124 -11.317 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.579 -9.855 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.374 -8.962 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.547 -8.589 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.551 -9.495 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.773 -10.412 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.740 -11.598 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.833 -11.366 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.556 -10.859 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.557 -9.709 -5.418 1.00 0.00 H new ATOM 532 N LYS A 37 -0.036 -14.056 -4.538 1.00 0.00 N ATOM 533 CA LYS A 37 1.003 -15.059 -4.860 1.00 0.00 C ATOM 534 C LYS A 37 1.756 -14.728 -6.162 1.00 0.00 C ATOM 535 O LYS A 37 1.961 -15.591 -7.020 1.00 0.00 O ATOM 536 CB LYS A 37 0.458 -16.502 -4.793 1.00 0.00 C ATOM 537 CG LYS A 37 -0.124 -16.842 -3.410 1.00 0.00 C ATOM 538 CD LYS A 37 -0.271 -18.351 -3.163 1.00 0.00 C ATOM 539 CE LYS A 37 1.096 -18.990 -2.871 1.00 0.00 C ATOM 540 NZ LYS A 37 0.974 -20.433 -2.538 1.00 0.00 N ATOM 0 H LYS A 37 0.049 -13.715 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 37 1.761 -15.003 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.314 -16.632 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.259 -17.202 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.518 -16.416 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.100 -16.368 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.945 -18.523 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.721 -18.825 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.745 -18.871 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.572 -18.465 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.918 -20.826 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.376 -20.545 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.543 -20.939 -3.338 1.00 0.00 H new ATOM 554 N LEU A 38 2.139 -13.458 -6.312 1.00 0.00 N ATOM 555 CA LEU A 38 2.772 -12.886 -7.511 1.00 0.00 C ATOM 556 C LEU A 38 3.962 -11.964 -7.161 1.00 0.00 C ATOM 557 O LEU A 38 3.978 -11.373 -6.076 1.00 0.00 O ATOM 558 CB LEU A 38 1.709 -12.138 -8.343 1.00 0.00 C ATOM 559 CG LEU A 38 0.782 -13.041 -9.183 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.353 -12.208 -9.782 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.522 -13.711 -10.344 1.00 0.00 C ATOM 0 H LEU A 38 2.013 -12.768 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 38 3.184 -13.703 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.095 -11.541 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.216 -11.442 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 38 0.402 -13.810 -8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.004 -12.852 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.930 -11.749 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.065 -11.429 -10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.828 -14.336 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.935 -12.946 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.330 -14.328 -9.952 1.00 0.00 H new ATOM 573 N PRO A 39 4.969 -11.840 -8.053 1.00 0.00 N ATOM 574 CA PRO A 39 6.181 -11.052 -7.816 1.00 0.00 C ATOM 575 C PRO A 39 5.935 -9.526 -7.818 1.00 0.00 C ATOM 576 O PRO A 39 4.945 -9.051 -8.385 1.00 0.00 O ATOM 577 CB PRO A 39 7.146 -11.468 -8.937 1.00 0.00 C ATOM 578 CG PRO A 39 6.215 -11.834 -10.088 1.00 0.00 C ATOM 579 CD PRO A 39 5.044 -12.487 -9.360 1.00 0.00 C ATOM 0 HA PRO A 39 6.580 -11.251 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.820 -10.656 -9.209 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.768 -12.312 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.904 -10.956 -10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.688 -12.517 -10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.116 -12.352 -9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.200 -13.561 -9.255 1.00 0.00 H new ATOM 587 N PRO A 40 6.874 -8.727 -7.264 1.00 0.00 N ATOM 588 CA PRO A 40 6.803 -7.261 -7.273 1.00 0.00 C ATOM 589 C PRO A 40 6.882 -6.629 -8.681 1.00 0.00 C ATOM 590 O PRO A 40 6.615 -5.438 -8.839 1.00 0.00 O ATOM 591 CB PRO A 40 7.961 -6.797 -6.379 1.00 0.00 C ATOM 592 CG PRO A 40 8.979 -7.927 -6.498 1.00 0.00 C ATOM 593 CD PRO A 40 8.088 -9.163 -6.581 1.00 0.00 C ATOM 0 HA PRO A 40 5.830 -6.934 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.374 -5.847 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.639 -6.654 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.606 -7.818 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.647 -7.965 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.581 -9.965 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.861 -9.550 -5.588 1.00 0.00 H new ATOM 601 N ASP A 41 7.237 -7.403 -9.712 1.00 0.00 N ATOM 602 CA ASP A 41 7.225 -6.979 -11.120 1.00 0.00 C ATOM 603 C ASP A 41 5.799 -6.837 -11.699 1.00 0.00 C ATOM 604 O ASP A 41 5.549 -5.970 -12.539 1.00 0.00 O ATOM 605 CB ASP A 41 8.029 -8.008 -11.933 1.00 0.00 C ATOM 606 CG ASP A 41 8.291 -7.577 -13.388 1.00 0.00 C ATOM 607 OD1 ASP A 41 8.595 -6.385 -13.638 1.00 0.00 O ATOM 608 OD2 ASP A 41 8.245 -8.450 -14.288 1.00 0.00 O ATOM 0 H ASP A 41 7.549 -8.366 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 41 7.674 -5.988 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.984 -8.184 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.492 -8.956 -11.935 1.00 0.00 H new ATOM 613 N THR A 42 4.850 -7.667 -11.243 1.00 0.00 N ATOM 614 CA THR A 42 3.447 -7.701 -11.717 1.00 0.00 C ATOM 615 C THR A 42 2.445 -7.077 -10.736 1.00 0.00 C ATOM 616 O THR A 42 1.266 -6.952 -11.070 1.00 0.00 O ATOM 617 CB THR A 42 3.018 -9.136 -12.075 1.00 0.00 C ATOM 618 OG1 THR A 42 3.190 -10.006 -10.977 1.00 0.00 O ATOM 619 CG2 THR A 42 3.827 -9.717 -13.235 1.00 0.00 C ATOM 0 H THR A 42 5.036 -8.355 -10.514 1.00 0.00 H new ATOM 0 HA THR A 42 3.428 -7.081 -12.613 1.00 0.00 H new ATOM 0 HB THR A 42 1.968 -9.063 -12.359 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.909 -10.910 -11.229 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.484 -10.730 -13.446 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.691 -9.096 -14.120 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.883 -9.740 -12.966 1.00 0.00 H new ATOM 627 N THR A 43 2.886 -6.672 -9.540 1.00 0.00 N ATOM 628 CA THR A 43 2.089 -5.980 -8.506 1.00 0.00 C ATOM 629 C THR A 43 2.978 -5.013 -7.716 1.00 0.00 C ATOM 630 O THR A 43 3.988 -5.440 -7.156 1.00 0.00 O ATOM 631 CB THR A 43 1.431 -6.998 -7.551 1.00 0.00 C ATOM 632 OG1 THR A 43 0.408 -7.705 -8.222 1.00 0.00 O ATOM 633 CG2 THR A 43 0.768 -6.362 -6.327 1.00 0.00 C ATOM 0 H THR A 43 3.852 -6.822 -9.247 1.00 0.00 H new ATOM 0 HA THR A 43 1.300 -5.414 -9.001 1.00 0.00 H new ATOM 0 HB THR A 43 2.248 -7.641 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.429 -7.484 -9.177 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.329 -7.142 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.515 -5.816 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.013 -5.674 -6.652 1.00 0.00 H new ATOM 641 N ARG A 44 2.615 -3.723 -7.632 1.00 0.00 N ATOM 642 CA ARG A 44 3.392 -2.695 -6.906 1.00 0.00 C ATOM 643 C ARG A 44 2.535 -1.692 -6.130 1.00 0.00 C ATOM 644 O ARG A 44 1.442 -1.325 -6.563 1.00 0.00 O ATOM 645 CB ARG A 44 4.390 -1.997 -7.854 1.00 0.00 C ATOM 646 CG ARG A 44 3.758 -1.026 -8.868 1.00 0.00 C ATOM 647 CD ARG A 44 4.852 -0.365 -9.714 1.00 0.00 C ATOM 648 NE ARG A 44 4.328 0.776 -10.493 1.00 0.00 N ATOM 649 CZ ARG A 44 5.043 1.703 -11.107 1.00 0.00 C ATOM 650 NH1 ARG A 44 6.345 1.662 -11.151 1.00 0.00 N ATOM 651 NH2 ARG A 44 4.459 2.706 -11.696 1.00 0.00 N ATOM 0 H ARG A 44 1.768 -3.357 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 44 3.955 -3.225 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.115 -1.449 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.942 -2.761 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.063 -1.563 -9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.182 -0.264 -8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.657 -0.022 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.282 -1.102 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 44 3.314 0.856 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.847 0.896 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.862 2.396 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.442 2.781 -11.686 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.019 3.417 -12.167 1.00 0.00 H new ATOM 665 N LEU A 45 3.070 -1.228 -5.000 1.00 0.00 N ATOM 666 CA LEU A 45 2.473 -0.246 -4.089 1.00 0.00 C ATOM 667 C LEU A 45 3.216 1.102 -4.165 1.00 0.00 C ATOM 668 O LEU A 45 4.448 1.135 -4.217 1.00 0.00 O ATOM 669 CB LEU A 45 2.490 -0.858 -2.672 1.00 0.00 C ATOM 670 CG LEU A 45 2.046 0.060 -1.518 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.595 0.517 -1.632 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.165 -0.695 -0.197 1.00 0.00 C ATOM 0 H LEU A 45 3.984 -1.545 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 45 1.443 -0.027 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.847 -1.738 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.502 -1.203 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 45 2.693 0.936 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.349 1.160 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.460 1.071 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.062 -0.353 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.851 -0.047 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.528 -1.579 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.201 -0.998 -0.043 1.00 0.00 H new ATOM 684 N THR A 46 2.473 2.210 -4.124 1.00 0.00 N ATOM 685 CA THR A 46 2.999 3.586 -4.079 1.00 0.00 C ATOM 686 C THR A 46 2.152 4.483 -3.161 1.00 0.00 C ATOM 687 O THR A 46 0.988 4.180 -2.881 1.00 0.00 O ATOM 688 CB THR A 46 3.153 4.149 -5.504 1.00 0.00 C ATOM 689 OG1 THR A 46 3.836 5.378 -5.467 1.00 0.00 O ATOM 690 CG2 THR A 46 1.837 4.411 -6.232 1.00 0.00 C ATOM 0 H THR A 46 1.453 2.179 -4.121 1.00 0.00 H new ATOM 0 HA THR A 46 3.995 3.567 -3.636 1.00 0.00 H new ATOM 0 HB THR A 46 3.696 3.374 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.931 5.727 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.044 4.806 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.278 3.479 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.248 5.135 -5.669 1.00 0.00 H new ATOM 698 N TYR A 47 2.734 5.575 -2.660 1.00 0.00 N ATOM 699 CA TYR A 47 2.139 6.487 -1.672 1.00 0.00 C ATOM 700 C TYR A 47 2.302 7.943 -2.124 1.00 0.00 C ATOM 701 O TYR A 47 3.401 8.357 -2.492 1.00 0.00 O ATOM 702 CB TYR A 47 2.800 6.246 -0.307 1.00 0.00 C ATOM 703 CG TYR A 47 2.564 7.343 0.718 1.00 0.00 C ATOM 704 CD1 TYR A 47 1.424 7.316 1.544 1.00 0.00 C ATOM 705 CD2 TYR A 47 3.483 8.406 0.830 1.00 0.00 C ATOM 706 CE1 TYR A 47 1.213 8.338 2.491 1.00 0.00 C ATOM 707 CE2 TYR A 47 3.272 9.432 1.769 1.00 0.00 C ATOM 708 CZ TYR A 47 2.138 9.400 2.609 1.00 0.00 C ATOM 709 OH TYR A 47 1.945 10.396 3.517 1.00 0.00 O ATOM 0 H TYR A 47 3.671 5.863 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 47 1.070 6.291 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.431 5.304 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.874 6.131 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.710 6.511 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.354 8.433 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.342 8.310 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.978 10.245 1.847 1.00 0.00 H new ATOM 0 HH TYR A 47 1.288 10.107 4.185 1.00 0.00 H new ATOM 719 N LYS A 48 1.216 8.731 -2.117 1.00 0.00 N ATOM 720 CA LYS A 48 1.212 10.144 -2.564 1.00 0.00 C ATOM 721 C LYS A 48 1.831 10.357 -3.970 1.00 0.00 C ATOM 722 O LYS A 48 2.421 11.403 -4.253 1.00 0.00 O ATOM 723 CB LYS A 48 1.869 11.013 -1.467 1.00 0.00 C ATOM 724 CG LYS A 48 1.368 12.468 -1.474 1.00 0.00 C ATOM 725 CD LYS A 48 2.299 13.420 -0.703 1.00 0.00 C ATOM 726 CE LYS A 48 3.682 13.615 -1.350 1.00 0.00 C ATOM 727 NZ LYS A 48 3.593 14.202 -2.714 1.00 0.00 N ATOM 0 H LYS A 48 0.303 8.407 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 48 0.178 10.462 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.669 10.570 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.950 11.006 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.276 12.811 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.371 12.507 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.813 14.391 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.435 13.037 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.288 14.264 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.194 12.654 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.550 14.408 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.127 13.527 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.041 15.082 -2.678 1.00 0.00 H new ATOM 741 N GLY A 49 1.742 9.343 -4.839 1.00 0.00 N ATOM 742 CA GLY A 49 2.343 9.319 -6.181 1.00 0.00 C ATOM 743 C GLY A 49 3.862 9.064 -6.239 1.00 0.00 C ATOM 744 O GLY A 49 4.468 9.312 -7.286 1.00 0.00 O ATOM 0 H GLY A 49 1.232 8.487 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.843 8.548 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.136 10.273 -6.667 1.00 0.00 H new ATOM 748 N ARG A 50 4.489 8.589 -5.151 1.00 0.00 N ATOM 749 CA ARG A 50 5.943 8.351 -5.026 1.00 0.00 C ATOM 750 C ARG A 50 6.231 7.007 -4.336 1.00 0.00 C ATOM 751 O ARG A 50 5.694 6.712 -3.267 1.00 0.00 O ATOM 752 CB ARG A 50 6.563 9.570 -4.306 1.00 0.00 C ATOM 753 CG ARG A 50 8.089 9.716 -4.443 1.00 0.00 C ATOM 754 CD ARG A 50 8.882 8.929 -3.392 1.00 0.00 C ATOM 755 NE ARG A 50 10.338 9.102 -3.571 1.00 0.00 N ATOM 756 CZ ARG A 50 11.095 10.088 -3.120 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.613 11.074 -2.415 1.00 0.00 N ATOM 758 NH2 ARG A 50 12.372 10.109 -3.379 1.00 0.00 N ATOM 0 H ARG A 50 3.981 8.350 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 50 6.410 8.261 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.093 10.475 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.315 9.509 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.389 9.382 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.352 10.771 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.595 9.261 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.629 7.871 -3.461 1.00 0.00 H new ATOM 0 HE ARG A 50 10.815 8.376 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.618 11.103 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.231 11.816 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.793 9.362 -3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.951 10.872 -3.029 1.00 0.00 H new ATOM 772 N ALA A 51 7.085 6.182 -4.945 1.00 0.00 N ATOM 773 CA ALA A 51 7.382 4.829 -4.462 1.00 0.00 C ATOM 774 C ALA A 51 8.103 4.834 -3.097 1.00 0.00 C ATOM 775 O ALA A 51 9.106 5.528 -2.918 1.00 0.00 O ATOM 776 CB ALA A 51 8.206 4.095 -5.530 1.00 0.00 C ATOM 0 H ALA A 51 7.594 6.434 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 51 6.441 4.304 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.434 3.087 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.634 4.040 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.135 4.636 -5.709 1.00 0.00 H new ATOM 782 N LEU A 52 7.620 4.020 -2.152 1.00 0.00 N ATOM 783 CA LEU A 52 8.189 3.841 -0.808 1.00 0.00 C ATOM 784 C LEU A 52 8.341 2.353 -0.451 1.00 0.00 C ATOM 785 O LEU A 52 7.616 1.495 -0.964 1.00 0.00 O ATOM 786 CB LEU A 52 7.329 4.572 0.245 1.00 0.00 C ATOM 787 CG LEU A 52 7.359 6.111 0.224 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.488 6.634 1.369 1.00 0.00 C ATOM 789 CD2 LEU A 52 8.762 6.690 0.429 1.00 0.00 C ATOM 0 H LEU A 52 6.791 3.446 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 52 9.187 4.280 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.295 4.251 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.648 4.240 1.233 1.00 0.00 H new ATOM 0 HG LEU A 52 7.000 6.418 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.500 7.724 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.465 6.282 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.878 6.269 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.714 7.779 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.152 6.367 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.421 6.337 -0.365 1.00 0.00 H new ATOM 801 N LYS A 53 9.295 2.063 0.442 1.00 0.00 N ATOM 802 CA LYS A 53 9.616 0.719 0.963 1.00 0.00 C ATOM 803 C LYS A 53 10.411 0.805 2.273 1.00 0.00 C ATOM 804 O LYS A 53 10.044 0.182 3.266 1.00 0.00 O ATOM 805 CB LYS A 53 10.404 -0.056 -0.115 1.00 0.00 C ATOM 806 CG LYS A 53 10.556 -1.552 0.213 1.00 0.00 C ATOM 807 CD LYS A 53 11.466 -2.287 -0.786 1.00 0.00 C ATOM 808 CE LYS A 53 10.935 -2.248 -2.227 1.00 0.00 C ATOM 809 NZ LYS A 53 11.839 -2.970 -3.161 1.00 0.00 N ATOM 0 H LYS A 53 9.893 2.786 0.841 1.00 0.00 H new ATOM 0 HA LYS A 53 8.690 0.189 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.898 0.051 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.393 0.389 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.964 -1.660 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.572 -2.021 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.460 -1.840 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.575 -3.325 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.942 -2.695 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.830 -1.212 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.451 -2.924 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.780 -2.527 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.919 -3.964 -2.867 1.00 0.00 H new ATOM 823 N ASP A 54 11.464 1.626 2.280 1.00 0.00 N ATOM 824 CA ASP A 54 12.415 1.831 3.390 1.00 0.00 C ATOM 825 C ASP A 54 11.912 2.811 4.483 1.00 0.00 C ATOM 826 O ASP A 54 12.695 3.511 5.130 1.00 0.00 O ATOM 827 CB ASP A 54 13.762 2.272 2.780 1.00 0.00 C ATOM 828 CG ASP A 54 14.969 2.146 3.730 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.965 1.282 4.642 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.968 2.878 3.521 1.00 0.00 O ATOM 0 H ASP A 54 11.694 2.200 1.469 1.00 0.00 H new ATOM 0 HA ASP A 54 12.531 0.889 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.955 1.676 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.677 3.310 2.457 1.00 0.00 H new ATOM 835 N THR A 55 10.591 2.918 4.662 1.00 0.00 N ATOM 836 CA THR A 55 9.926 3.905 5.539 1.00 0.00 C ATOM 837 C THR A 55 10.190 3.664 7.035 1.00 0.00 C ATOM 838 O THR A 55 10.198 4.607 7.824 1.00 0.00 O ATOM 839 CB THR A 55 8.411 3.883 5.263 1.00 0.00 C ATOM 840 OG1 THR A 55 8.172 3.965 3.873 1.00 0.00 O ATOM 841 CG2 THR A 55 7.628 5.017 5.923 1.00 0.00 C ATOM 0 H THR A 55 9.929 2.304 4.188 1.00 0.00 H new ATOM 0 HA THR A 55 10.348 4.882 5.306 1.00 0.00 H new ATOM 0 HB THR A 55 8.063 2.944 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.253 4.266 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.571 4.922 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.753 4.964 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.001 5.975 5.561 1.00 0.00 H new ATOM 849 N GLU A 56 10.445 2.409 7.421 1.00 0.00 N ATOM 850 CA GLU A 56 10.699 1.907 8.785 1.00 0.00 C ATOM 851 C GLU A 56 9.506 2.041 9.761 1.00 0.00 C ATOM 852 O GLU A 56 8.950 1.024 10.178 1.00 0.00 O ATOM 853 CB GLU A 56 12.024 2.477 9.333 1.00 0.00 C ATOM 854 CG GLU A 56 12.681 1.598 10.405 1.00 0.00 C ATOM 855 CD GLU A 56 13.547 0.484 9.782 1.00 0.00 C ATOM 856 OE1 GLU A 56 12.989 -0.468 9.182 1.00 0.00 O ATOM 857 OE2 GLU A 56 14.796 0.546 9.898 1.00 0.00 O ATOM 0 H GLU A 56 10.483 1.654 6.736 1.00 0.00 H new ATOM 0 HA GLU A 56 10.814 0.826 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.722 2.608 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.837 3.466 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.299 2.218 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.909 1.151 11.031 1.00 0.00 H new ATOM 864 N THR A 57 9.062 3.265 10.073 1.00 0.00 N ATOM 865 CA THR A 57 7.801 3.585 10.779 1.00 0.00 C ATOM 866 C THR A 57 7.254 4.939 10.313 1.00 0.00 C ATOM 867 O THR A 57 8.018 5.863 10.021 1.00 0.00 O ATOM 868 CB THR A 57 7.926 3.633 12.321 1.00 0.00 C ATOM 869 OG1 THR A 57 8.744 4.704 12.751 1.00 0.00 O ATOM 870 CG2 THR A 57 8.460 2.355 12.964 1.00 0.00 C ATOM 0 H THR A 57 9.592 4.103 9.832 1.00 0.00 H new ATOM 0 HA THR A 57 7.126 2.767 10.527 1.00 0.00 H new ATOM 0 HB THR A 57 6.896 3.768 12.651 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.797 4.702 13.730 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.512 2.486 14.045 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.794 1.524 12.730 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.456 2.141 12.576 1.00 0.00 H new ATOM 878 N LEU A 58 5.925 5.092 10.278 1.00 0.00 N ATOM 879 CA LEU A 58 5.289 6.396 10.034 1.00 0.00 C ATOM 880 C LEU A 58 5.385 7.325 11.259 1.00 0.00 C ATOM 881 O LEU A 58 5.435 8.545 11.105 1.00 0.00 O ATOM 882 CB LEU A 58 3.825 6.184 9.604 1.00 0.00 C ATOM 883 CG LEU A 58 3.652 5.455 8.256 1.00 0.00 C ATOM 884 CD1 LEU A 58 2.180 5.104 8.042 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.114 6.310 7.072 1.00 0.00 C ATOM 0 H LEU A 58 5.265 4.327 10.416 1.00 0.00 H new ATOM 0 HA LEU A 58 5.828 6.894 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.311 5.615 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.334 7.155 9.543 1.00 0.00 H new ATOM 0 HG LEU A 58 4.268 4.557 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.064 4.589 7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.840 4.455 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.585 6.017 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.973 5.754 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.529 7.229 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.169 6.556 7.191 1.00 0.00 H new ATOM 897 N GLU A 59 5.468 6.767 12.473 1.00 0.00 N ATOM 898 CA GLU A 59 5.585 7.528 13.728 1.00 0.00 C ATOM 899 C GLU A 59 6.822 8.445 13.765 1.00 0.00 C ATOM 900 O GLU A 59 6.734 9.574 14.251 1.00 0.00 O ATOM 901 CB GLU A 59 5.578 6.550 14.915 1.00 0.00 C ATOM 902 CG GLU A 59 5.464 7.277 16.266 1.00 0.00 C ATOM 903 CD GLU A 59 5.326 6.317 17.466 1.00 0.00 C ATOM 904 OE1 GLU A 59 4.533 5.346 17.403 1.00 0.00 O ATOM 905 OE2 GLU A 59 5.992 6.550 18.505 1.00 0.00 O ATOM 0 H GLU A 59 5.456 5.757 12.616 1.00 0.00 H new ATOM 0 HA GLU A 59 4.725 8.194 13.796 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.745 5.856 14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.492 5.956 14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.345 7.903 16.410 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.601 7.943 16.241 1.00 0.00 H new ATOM 912 N SER A 60 7.949 8.010 13.186 1.00 0.00 N ATOM 913 CA SER A 60 9.187 8.809 13.107 1.00 0.00 C ATOM 914 C SER A 60 9.051 10.097 12.272 1.00 0.00 C ATOM 915 O SER A 60 9.840 11.029 12.448 1.00 0.00 O ATOM 916 CB SER A 60 10.337 7.950 12.563 1.00 0.00 C ATOM 917 OG SER A 60 10.172 7.642 11.187 1.00 0.00 O ATOM 0 H SER A 60 8.032 7.089 12.756 1.00 0.00 H new ATOM 0 HA SER A 60 9.402 9.130 14.126 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.280 8.477 12.705 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.399 7.025 13.136 1.00 0.00 H new ATOM 0 HG SER A 60 9.403 7.045 11.075 1.00 0.00 H new ATOM 923 N LEU A 61 8.039 10.173 11.395 1.00 0.00 N ATOM 924 CA LEU A 61 7.709 11.333 10.553 1.00 0.00 C ATOM 925 C LEU A 61 6.461 12.105 11.038 1.00 0.00 C ATOM 926 O LEU A 61 6.103 13.128 10.449 1.00 0.00 O ATOM 927 CB LEU A 61 7.539 10.859 9.094 1.00 0.00 C ATOM 928 CG LEU A 61 8.734 10.084 8.500 1.00 0.00 C ATOM 929 CD1 LEU A 61 8.415 9.680 7.060 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.022 10.912 8.489 1.00 0.00 C ATOM 0 H LEU A 61 7.399 9.392 11.247 1.00 0.00 H new ATOM 0 HA LEU A 61 8.534 12.042 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.654 10.225 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.347 11.730 8.468 1.00 0.00 H new ATOM 0 HG LEU A 61 8.893 9.211 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.259 9.133 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.529 9.046 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.230 10.574 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.831 10.320 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.872 11.810 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.280 11.197 9.509 1.00 0.00 H new ATOM 942 N GLY A 62 5.802 11.630 12.102 1.00 0.00 N ATOM 943 CA GLY A 62 4.512 12.120 12.596 1.00 0.00 C ATOM 944 C GLY A 62 3.322 11.542 11.813 1.00 0.00 C ATOM 945 O GLY A 62 3.134 11.834 10.629 1.00 0.00 O ATOM 0 H GLY A 62 6.169 10.862 12.664 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.409 11.862 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.491 13.208 12.531 1.00 0.00 H new ATOM 949 N VAL A 63 2.502 10.728 12.484 1.00 0.00 N ATOM 950 CA VAL A 63 1.280 10.112 11.929 1.00 0.00 C ATOM 951 C VAL A 63 0.116 11.113 11.871 1.00 0.00 C ATOM 952 O VAL A 63 -0.029 11.967 12.751 1.00 0.00 O ATOM 953 CB VAL A 63 0.922 8.839 12.730 1.00 0.00 C ATOM 954 CG1 VAL A 63 -0.478 8.275 12.461 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.915 7.729 12.374 1.00 0.00 C ATOM 0 H VAL A 63 2.669 10.468 13.456 1.00 0.00 H new ATOM 0 HA VAL A 63 1.475 9.817 10.898 1.00 0.00 H new ATOM 0 HB VAL A 63 0.959 9.143 13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.634 7.384 13.069 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.227 9.024 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.569 8.015 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.669 6.827 12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.858 7.519 11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.925 8.050 12.627 1.00 0.00 H new ATOM 965 N ALA A 64 -0.734 10.983 10.848 1.00 0.00 N ATOM 966 CA ALA A 64 -1.923 11.807 10.615 1.00 0.00 C ATOM 967 C ALA A 64 -3.071 10.991 9.976 1.00 0.00 C ATOM 968 O ALA A 64 -2.911 9.815 9.638 1.00 0.00 O ATOM 969 CB ALA A 64 -1.506 12.998 9.736 1.00 0.00 C ATOM 0 H ALA A 64 -0.607 10.270 10.129 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.315 12.170 11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.373 13.631 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.739 13.578 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.110 12.630 8.789 1.00 0.00 H new ATOM 975 N ASP A 65 -4.243 11.609 9.816 1.00 0.00 N ATOM 976 CA ASP A 65 -5.308 11.135 8.918 1.00 0.00 C ATOM 977 C ASP A 65 -4.991 11.497 7.445 1.00 0.00 C ATOM 978 O ASP A 65 -4.174 12.381 7.169 1.00 0.00 O ATOM 979 CB ASP A 65 -6.647 11.737 9.387 1.00 0.00 C ATOM 980 CG ASP A 65 -7.905 11.121 8.746 1.00 0.00 C ATOM 981 OD1 ASP A 65 -7.820 10.058 8.089 1.00 0.00 O ATOM 982 OD2 ASP A 65 -9.003 11.702 8.925 1.00 0.00 O ATOM 0 H ASP A 65 -4.486 12.466 10.312 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.376 10.048 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.718 11.625 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.639 12.807 9.178 1.00 0.00 H new ATOM 987 N GLY A 66 -5.648 10.837 6.488 1.00 0.00 N ATOM 988 CA GLY A 66 -5.545 11.146 5.056 1.00 0.00 C ATOM 989 C GLY A 66 -4.288 10.620 4.346 1.00 0.00 C ATOM 990 O GLY A 66 -4.002 11.049 3.228 1.00 0.00 O ATOM 0 H GLY A 66 -6.277 10.060 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.421 10.738 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.582 12.229 4.934 1.00 0.00 H new ATOM 994 N ASP A 67 -3.543 9.692 4.956 1.00 0.00 N ATOM 995 CA ASP A 67 -2.515 8.911 4.252 1.00 0.00 C ATOM 996 C ASP A 67 -3.161 7.980 3.209 1.00 0.00 C ATOM 997 O ASP A 67 -4.094 7.227 3.514 1.00 0.00 O ATOM 998 CB ASP A 67 -1.643 8.134 5.253 1.00 0.00 C ATOM 999 CG ASP A 67 -0.609 9.010 5.984 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -0.054 9.949 5.362 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.306 8.722 7.165 1.00 0.00 O ATOM 0 H ASP A 67 -3.633 9.461 5.945 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.860 9.598 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.289 7.658 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.121 7.336 4.724 1.00 0.00 H new ATOM 1006 N LYS A 68 -2.679 8.064 1.961 1.00 0.00 N ATOM 1007 CA LYS A 68 -3.325 7.490 0.768 1.00 0.00 C ATOM 1008 C LYS A 68 -2.357 6.639 -0.053 1.00 0.00 C ATOM 1009 O LYS A 68 -1.254 7.074 -0.393 1.00 0.00 O ATOM 1010 CB LYS A 68 -3.952 8.615 -0.076 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.271 9.114 0.541 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.739 10.464 -0.019 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.053 10.398 -1.520 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.548 11.704 -2.026 1.00 0.00 N ATOM 0 H LYS A 68 -1.806 8.545 1.746 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.118 6.818 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.250 9.445 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.136 8.253 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.048 8.369 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.147 9.201 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.628 10.790 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.967 11.214 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.157 10.109 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.801 9.627 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.752 11.628 -3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.417 11.967 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.823 12.433 -1.872 1.00 0.00 H new ATOM 1028 N PHE A 69 -2.806 5.433 -0.383 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.014 4.360 -0.980 1.00 0.00 C ATOM 1030 C PHE A 69 -2.654 3.855 -2.277 1.00 0.00 C ATOM 1031 O PHE A 69 -3.854 3.577 -2.317 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.891 3.229 0.048 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.156 3.616 1.317 1.00 0.00 C ATOM 1034 CD1 PHE A 69 0.251 3.577 1.356 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.874 4.045 2.451 1.00 0.00 C ATOM 1036 CE1 PHE A 69 0.934 3.963 2.523 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.189 4.435 3.616 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.215 4.393 3.652 1.00 0.00 C ATOM 0 H PHE A 69 -3.778 5.163 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.024 4.735 -1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.891 2.884 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.375 2.388 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.806 3.250 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.953 4.074 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.013 3.929 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.742 4.767 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.742 4.691 4.547 1.00 0.00 H new ATOM 1048 N VAL A 70 -1.850 3.703 -3.329 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.283 3.240 -4.658 1.00 0.00 C ATOM 1050 C VAL A 70 -1.567 1.933 -4.991 1.00 0.00 C ATOM 1051 O VAL A 70 -0.342 1.850 -4.877 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.030 4.313 -5.737 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -2.545 3.871 -7.112 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -2.687 5.657 -5.388 1.00 0.00 C ATOM 0 H VAL A 70 -0.851 3.903 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.358 3.061 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.948 4.440 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.348 4.655 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.036 2.956 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.618 3.688 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.480 6.379 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.764 5.522 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.283 6.025 -4.445 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.322 0.912 -5.402 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.808 -0.427 -5.697 1.00 0.00 C ATOM 1066 C LEU A 71 -2.147 -0.815 -7.138 1.00 0.00 C ATOM 1067 O LEU A 71 -3.315 -0.857 -7.524 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.357 -1.425 -4.654 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.226 -2.117 -3.877 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.737 -2.611 -2.528 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -0.664 -3.301 -4.664 1.00 0.00 C ATOM 0 H LEU A 71 -3.329 0.995 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.721 -0.444 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.009 -0.900 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.966 -2.177 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.432 -1.386 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.926 -3.099 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.103 -1.765 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.548 -3.322 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.135 -3.772 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.457 -4.026 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.268 -2.950 -5.617 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.115 -1.089 -7.934 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.210 -1.318 -9.379 1.00 0.00 C ATOM 1085 C ILE A 72 -0.784 -2.756 -9.688 1.00 0.00 C ATOM 1086 O ILE A 72 0.280 -3.198 -9.253 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.379 -0.264 -10.151 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.887 1.164 -9.830 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.423 -0.535 -11.669 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -0.081 2.299 -10.475 1.00 0.00 C ATOM 0 H ILE A 72 -0.160 -1.160 -7.583 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.241 -1.198 -9.713 1.00 0.00 H new ATOM 0 HB ILE A 72 0.659 -0.340 -9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.925 1.246 -10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.879 1.302 -8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.168 0.218 -12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.013 -1.524 -11.874 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.455 -0.491 -12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.513 3.259 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.953 2.251 -10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.109 2.194 -11.560 1.00 0.00 H new ATOM 1102 N THR A 73 -1.605 -3.474 -10.453 1.00 0.00 N ATOM 1103 CA THR A 73 -1.351 -4.851 -10.912 1.00 0.00 C ATOM 1104 C THR A 73 -1.324 -4.925 -12.443 1.00 0.00 C ATOM 1105 O THR A 73 -1.859 -4.045 -13.128 1.00 0.00 O ATOM 1106 CB THR A 73 -2.375 -5.845 -10.335 1.00 0.00 C ATOM 1107 OG1 THR A 73 -3.657 -5.601 -10.874 1.00 0.00 O ATOM 1108 CG2 THR A 73 -2.492 -5.769 -8.813 1.00 0.00 C ATOM 0 H THR A 73 -2.497 -3.107 -10.785 1.00 0.00 H new ATOM 0 HA THR A 73 -0.369 -5.139 -10.538 1.00 0.00 H new ATOM 0 HB THR A 73 -2.011 -6.835 -10.608 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.297 -6.242 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.229 -6.494 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.525 -5.992 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.805 -4.766 -8.522 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.686 -5.965 -12.996 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.487 -6.146 -14.446 1.00 0.00 C ATOM 1118 C ARG A 74 -0.744 -7.596 -14.868 1.00 0.00 C ATOM 1119 O ARG A 74 -0.022 -8.504 -14.457 1.00 0.00 O ATOM 1120 CB ARG A 74 0.928 -5.653 -14.803 1.00 0.00 C ATOM 1121 CG ARG A 74 1.106 -5.404 -16.310 1.00 0.00 C ATOM 1122 CD ARG A 74 2.513 -4.878 -16.636 1.00 0.00 C ATOM 1123 NE ARG A 74 2.783 -3.575 -15.992 1.00 0.00 N ATOM 1124 CZ ARG A 74 3.965 -3.033 -15.757 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.076 -3.590 -16.151 1.00 0.00 N ATOM 1126 NH2 ARG A 74 4.056 -1.904 -15.114 1.00 0.00 N ATOM 0 H ARG A 74 -0.285 -6.720 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.211 -5.554 -15.006 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.135 -4.731 -14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.660 -6.390 -14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.928 -6.331 -16.856 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.361 -4.685 -16.651 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.256 -5.605 -16.308 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.621 -4.777 -17.716 1.00 0.00 H new ATOM 0 HE ARG A 74 1.969 -3.036 -15.697 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.051 -4.474 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.970 -3.142 -15.951 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.212 -1.433 -14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.971 -1.491 -14.936 1.00 0.00 H new