USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 103 ASN : amide:sc= -1.6! C(o=-0.62!,f=-13!) USER MOD Set 1.2: A 130 NCZ O6 : rot -171:sc= 0.978 USER MOD Set 2.1: A 53 SER OG : rot -160:sc= -0.236 USER MOD Set 2.2: A 65 THR OG1 : rot -140:sc= -0.162 USER MOD Set 3.1: A 36 GLN : amide:sc= -0.668 K(o=-9.2,f=-10!) USER MOD Set 3.2: A 48 ASN : amide:sc= -9.13! C(o=-9.2!,f=-10!) USER MOD Set 3.3: A 85 THR OG1 : rot -160:sc= 0.574 USER MOD Set 4.1: A 10 SER OG : rot -175:sc= 0.909 USER MOD Set 4.2: A 113 ASN : amide:sc= -0.7 K(o=0.21,f=-2.5!) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.159 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -78:sc= 0.158! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 136:sc= -5.09! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -24.2! C(o=-24!,f=-38!) USER MOD Single : A 30 THR OG1 : rot 107:sc= 0.888 USER MOD Single : A 32 TYR OH : rot -113:sc= 0.182 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 22:sc= 0.122 USER MOD Single : A 56 THR OG1 : rot -39:sc= -5.66! USER MOD Single : A 60 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.9!) USER MOD Single : A 62 SER OG : rot 22:sc= 0.364 USER MOD Single : A 64 SER OG : rot 45:sc= 0.955 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 72 SER OG : rot 28:sc= 0.0247 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -39:sc= 0.396 USER MOD Single : A 90 THR OG1 : rot 14:sc= 0.163 USER MOD Single : A 94 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.33) USER MOD Single : A 98 SER OG : rot -75:sc= 0.8 USER MOD Single : A 111 SER OG : rot 85:sc= 0.974 USER MOD Single : A 130 NCZ O2 : rot -137:sc= 1.09 USER MOD Single : A 130 NCZ O5 : rot 180:sc= -0.0497 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.233 -0.652 15.709 1.00 0.00 N ATOM 2 CA ALA A 1 -12.311 -0.504 14.747 1.00 0.00 C ATOM 3 C ALA A 1 -11.777 0.190 13.492 1.00 0.00 C ATOM 4 O ALA A 1 -10.650 0.680 13.482 1.00 0.00 O ATOM 5 CB ALA A 1 -13.468 0.266 15.389 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.066 -1.662 15.891 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.366 -0.221 15.328 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.493 -0.179 16.598 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.694 -1.480 14.448 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.277 0.377 14.667 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.831 -0.281 16.259 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.121 1.252 15.699 1.00 0.00 H new ATOM 11 N ALA A 2 -12.613 0.208 12.462 1.00 0.00 N ATOM 12 CA ALA A 2 -12.238 0.833 11.207 1.00 0.00 C ATOM 13 C ALA A 2 -10.860 0.327 10.781 1.00 0.00 C ATOM 14 O ALA A 2 -9.879 1.068 10.833 1.00 0.00 O ATOM 15 CB ALA A 2 -12.280 2.356 11.360 1.00 0.00 C ATOM 0 H ALA A 2 -13.548 -0.200 12.473 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.944 0.566 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.998 2.824 10.417 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.289 2.667 11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.583 2.663 12.140 1.00 0.00 H new ATOM 21 N PRO A 3 -10.825 -0.965 10.359 1.00 0.00 N ATOM 22 CA PRO A 3 -9.582 -1.579 9.925 1.00 0.00 C ATOM 23 C PRO A 3 -9.178 -1.079 8.536 1.00 0.00 C ATOM 24 O PRO A 3 -8.028 -1.231 8.127 1.00 0.00 O ATOM 25 CB PRO A 3 -9.846 -3.075 9.964 1.00 0.00 C ATOM 26 CG PRO A 3 -11.358 -3.230 9.968 1.00 0.00 C ATOM 27 CD PRO A 3 -11.966 -1.873 10.284 1.00 0.00 C ATOM 0 HA PRO A 3 -8.740 -1.320 10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.404 -3.572 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.404 -3.527 10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.707 -3.588 9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.664 -3.967 10.710 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.668 -1.564 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.517 -1.895 11.224 1.00 0.00 H new ATOM 35 N THR A 4 -10.147 -0.494 7.849 1.00 0.00 N ATOM 36 CA THR A 4 -9.910 0.032 6.514 1.00 0.00 C ATOM 37 C THR A 4 -9.336 -1.062 5.608 1.00 0.00 C ATOM 38 O THR A 4 -9.687 -2.234 5.745 1.00 0.00 O ATOM 39 CB THR A 4 -8.997 1.251 6.643 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.680 0.709 6.598 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.084 1.907 8.024 1.00 0.00 C ATOM 0 H THR A 4 -11.100 -0.372 8.192 1.00 0.00 H new ATOM 0 HA THR A 4 -10.839 0.352 6.042 1.00 0.00 H new ATOM 0 HB THR A 4 -9.260 1.981 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.456 0.320 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.416 2.767 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.107 2.234 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.791 1.187 8.788 1.00 0.00 H new ATOM 49 N ALA A 5 -8.468 -0.639 4.703 1.00 0.00 N ATOM 50 CA ALA A 5 -7.845 -1.566 3.774 1.00 0.00 C ATOM 51 C ALA A 5 -6.740 -2.339 4.496 1.00 0.00 C ATOM 52 O ALA A 5 -5.811 -1.741 5.037 1.00 0.00 O ATOM 53 CB ALA A 5 -7.321 -0.798 2.559 1.00 0.00 C ATOM 0 H ALA A 5 -8.181 0.333 4.593 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.573 -2.292 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.854 -1.494 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.149 -0.291 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.586 -0.061 2.883 1.00 0.00 H new ATOM 59 N THR A 6 -6.876 -3.657 4.481 1.00 0.00 N ATOM 60 CA THR A 6 -5.900 -4.518 5.127 1.00 0.00 C ATOM 61 C THR A 6 -5.703 -5.803 4.320 1.00 0.00 C ATOM 62 O THR A 6 -6.652 -6.317 3.725 1.00 0.00 O ATOM 63 CB THR A 6 -6.369 -4.768 6.562 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.790 -4.813 6.461 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.098 -3.576 7.483 1.00 0.00 C ATOM 0 H THR A 6 -7.648 -4.150 4.031 1.00 0.00 H new ATOM 0 HA THR A 6 -4.919 -4.044 5.167 1.00 0.00 H new ATOM 0 HB THR A 6 -5.870 -5.653 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.176 -4.973 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.450 -3.806 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.027 -3.374 7.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.624 -2.698 7.107 1.00 0.00 H new ATOM 73 N VAL A 7 -4.470 -6.285 4.324 1.00 0.00 N ATOM 74 CA VAL A 7 -4.137 -7.499 3.598 1.00 0.00 C ATOM 75 C VAL A 7 -4.635 -8.712 4.389 1.00 0.00 C ATOM 76 O VAL A 7 -4.436 -8.792 5.602 1.00 0.00 O ATOM 77 CB VAL A 7 -2.634 -7.546 3.318 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.322 -8.516 2.176 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.092 -6.148 3.015 1.00 0.00 C ATOM 0 H VAL A 7 -3.688 -5.857 4.819 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.635 -7.514 2.629 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.134 -7.912 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.247 -8.532 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.660 -9.517 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.837 -8.191 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.021 -6.207 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.599 -5.743 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.269 -5.496 3.870 1.00 0.00 H new ATOM 89 N THR A 8 -5.274 -9.623 3.672 1.00 0.00 N ATOM 90 CA THR A 8 -5.803 -10.827 4.291 1.00 0.00 C ATOM 91 C THR A 8 -4.802 -11.390 5.303 1.00 0.00 C ATOM 92 O THR A 8 -5.113 -11.515 6.485 1.00 0.00 O ATOM 93 CB THR A 8 -6.161 -11.813 3.177 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.583 -11.757 3.108 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.863 -13.266 3.561 1.00 0.00 C ATOM 0 H THR A 8 -5.438 -9.552 2.668 1.00 0.00 H new ATOM 0 HA THR A 8 -6.708 -10.615 4.860 1.00 0.00 H new ATOM 0 HB THR A 8 -5.608 -11.556 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.901 -12.366 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.135 -13.924 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.800 -13.375 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.441 -13.535 4.445 1.00 0.00 H new ATOM 103 N PRO A 9 -3.589 -11.725 4.785 1.00 0.00 N ATOM 104 CA PRO A 9 -2.542 -12.272 5.630 1.00 0.00 C ATOM 105 C PRO A 9 -1.908 -11.180 6.495 1.00 0.00 C ATOM 106 O PRO A 9 -2.499 -10.118 6.691 1.00 0.00 O ATOM 107 CB PRO A 9 -1.554 -12.911 4.666 1.00 0.00 C ATOM 108 CG PRO A 9 -1.843 -12.299 3.306 1.00 0.00 C ATOM 109 CD PRO A 9 -3.186 -11.591 3.389 1.00 0.00 C ATOM 0 HA PRO A 9 -2.918 -13.006 6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.527 -12.714 4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.677 -13.994 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.057 -11.596 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.865 -13.071 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.100 -10.543 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.916 -12.047 2.720 1.00 0.00 H new ATOM 117 N SER A 10 -0.717 -11.478 6.990 1.00 0.00 N ATOM 118 CA SER A 10 0.001 -10.534 7.830 1.00 0.00 C ATOM 119 C SER A 10 1.470 -10.470 7.406 1.00 0.00 C ATOM 120 O SER A 10 2.040 -9.384 7.294 1.00 0.00 O ATOM 121 CB SER A 10 -0.107 -10.920 9.308 1.00 0.00 C ATOM 122 OG SER A 10 -0.568 -12.257 9.478 1.00 0.00 O ATOM 0 H SER A 10 -0.230 -12.359 6.826 1.00 0.00 H new ATOM 0 HA SER A 10 -0.451 -9.550 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.867 -10.809 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.788 -10.235 9.813 1.00 0.00 H new ATOM 0 HG SER A 10 -0.695 -12.440 10.432 1.00 0.00 H new ATOM 128 N SER A 11 2.041 -11.643 7.185 1.00 0.00 N ATOM 129 CA SER A 11 3.433 -11.731 6.775 1.00 0.00 C ATOM 130 C SER A 11 3.554 -11.469 5.273 1.00 0.00 C ATOM 131 O SER A 11 3.883 -12.373 4.506 1.00 0.00 O ATOM 132 CB SER A 11 4.023 -13.100 7.126 1.00 0.00 C ATOM 133 OG SER A 11 5.382 -13.005 7.543 1.00 0.00 O ATOM 0 H SER A 11 1.567 -12.541 7.282 1.00 0.00 H new ATOM 0 HA SER A 11 3.999 -10.972 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.432 -13.557 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.955 -13.757 6.259 1.00 0.00 H new ATOM 0 HG SER A 11 5.721 -13.899 7.759 1.00 0.00 H new ATOM 139 N GLY A 12 3.284 -10.227 4.899 1.00 0.00 N ATOM 140 CA GLY A 12 3.357 -9.835 3.502 1.00 0.00 C ATOM 141 C GLY A 12 4.775 -10.019 2.954 1.00 0.00 C ATOM 142 O GLY A 12 4.999 -9.908 1.751 1.00 0.00 O ATOM 0 H GLY A 12 3.015 -9.480 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.657 -10.431 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.055 -8.793 3.397 1.00 0.00 H new ATOM 146 N LEU A 13 5.697 -10.295 3.868 1.00 0.00 N ATOM 147 CA LEU A 13 7.085 -10.494 3.493 1.00 0.00 C ATOM 148 C LEU A 13 7.210 -11.784 2.679 1.00 0.00 C ATOM 149 O LEU A 13 7.905 -12.715 3.085 1.00 0.00 O ATOM 150 CB LEU A 13 7.985 -10.460 4.729 1.00 0.00 C ATOM 151 CG LEU A 13 7.651 -11.470 5.830 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.377 -12.796 5.592 1.00 0.00 C ATOM 153 CD2 LEU A 13 7.952 -10.892 7.215 1.00 0.00 C ATOM 0 H LEU A 13 5.508 -10.385 4.866 1.00 0.00 H new ATOM 0 HA LEU A 13 7.426 -9.679 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.014 -10.627 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.943 -9.458 5.157 1.00 0.00 H new ATOM 0 HG LEU A 13 6.581 -11.676 5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.124 -13.497 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.071 -13.211 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.454 -12.626 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.706 -11.630 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.010 -10.640 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.355 -9.994 7.372 1.00 0.00 H new ATOM 165 N SER A 14 6.525 -11.799 1.544 1.00 0.00 N ATOM 166 CA SER A 14 6.551 -12.960 0.670 1.00 0.00 C ATOM 167 C SER A 14 6.696 -12.513 -0.786 1.00 0.00 C ATOM 168 O SER A 14 5.928 -11.680 -1.264 1.00 0.00 O ATOM 169 CB SER A 14 5.287 -13.806 0.843 1.00 0.00 C ATOM 170 OG SER A 14 5.591 -15.159 1.171 1.00 0.00 O ATOM 0 H SER A 14 5.949 -11.026 1.210 1.00 0.00 H new ATOM 0 HA SER A 14 7.408 -13.576 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.666 -13.374 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.703 -13.778 -0.077 1.00 0.00 H new ATOM 0 HG SER A 14 4.758 -15.665 1.275 1.00 0.00 H new ATOM 176 N ASP A 15 7.690 -13.088 -1.449 1.00 0.00 N ATOM 177 CA ASP A 15 7.946 -12.760 -2.842 1.00 0.00 C ATOM 178 C ASP A 15 6.621 -12.467 -3.546 1.00 0.00 C ATOM 179 O ASP A 15 5.945 -13.382 -4.014 1.00 0.00 O ATOM 180 CB ASP A 15 8.617 -13.929 -3.568 1.00 0.00 C ATOM 181 CG ASP A 15 7.894 -15.271 -3.441 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.589 -15.645 -2.288 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.661 -15.893 -4.501 1.00 0.00 O ATOM 0 H ASP A 15 8.326 -13.777 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 15 8.604 -11.892 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.703 -13.679 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.631 -14.042 -3.183 1.00 0.00 H new ATOM 189 N GLY A 16 6.286 -11.186 -3.597 1.00 0.00 N ATOM 190 CA GLY A 16 5.051 -10.760 -4.236 1.00 0.00 C ATOM 191 C GLY A 16 3.856 -11.551 -3.701 1.00 0.00 C ATOM 192 O GLY A 16 3.263 -12.351 -4.423 1.00 0.00 O ATOM 0 H GLY A 16 6.848 -10.429 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.895 -9.696 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.129 -10.897 -5.314 1.00 0.00 H new ATOM 196 N THR A 17 3.537 -11.300 -2.441 1.00 0.00 N ATOM 197 CA THR A 17 2.422 -11.978 -1.800 1.00 0.00 C ATOM 198 C THR A 17 1.095 -11.499 -2.393 1.00 0.00 C ATOM 199 O THR A 17 0.683 -10.365 -2.166 1.00 0.00 O ATOM 200 CB THR A 17 2.532 -11.749 -0.292 1.00 0.00 C ATOM 201 OG1 THR A 17 3.932 -11.809 -0.033 1.00 0.00 O ATOM 202 CG2 THR A 17 1.953 -12.910 0.521 1.00 0.00 C ATOM 0 H THR A 17 4.031 -10.636 -1.845 1.00 0.00 H new ATOM 0 HA THR A 17 2.455 -13.052 -1.982 1.00 0.00 H new ATOM 0 HB THR A 17 2.015 -10.827 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.184 -11.081 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.056 -12.696 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.898 -13.035 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.492 -13.827 0.281 1.00 0.00 H new ATOM 210 N VAL A 18 0.463 -12.392 -3.141 1.00 0.00 N ATOM 211 CA VAL A 18 -0.809 -12.073 -3.768 1.00 0.00 C ATOM 212 C VAL A 18 -1.947 -12.432 -2.811 1.00 0.00 C ATOM 213 O VAL A 18 -2.113 -13.595 -2.444 1.00 0.00 O ATOM 214 CB VAL A 18 -0.918 -12.785 -5.120 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.027 -12.167 -5.976 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.421 -12.766 -5.859 1.00 0.00 C ATOM 0 H VAL A 18 0.807 -13.334 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.879 -11.004 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.181 -13.826 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.084 -12.690 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.981 -12.256 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.807 -11.114 -6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.316 -13.278 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.727 -11.734 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.176 -13.272 -5.257 1.00 0.00 H new ATOM 226 N VAL A 19 -2.703 -11.412 -2.433 1.00 0.00 N ATOM 227 CA VAL A 19 -3.822 -11.604 -1.527 1.00 0.00 C ATOM 228 C VAL A 19 -4.900 -10.559 -1.824 1.00 0.00 C ATOM 229 O VAL A 19 -4.810 -9.833 -2.813 1.00 0.00 O ATOM 230 CB VAL A 19 -3.334 -11.562 -0.077 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.829 -12.935 0.371 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.254 -10.493 0.106 1.00 0.00 C ATOM 0 H VAL A 19 -2.562 -10.449 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.271 -12.586 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.181 -11.295 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.488 -12.878 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.637 -13.662 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.001 -13.244 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.924 -10.483 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.407 -10.717 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.661 -9.516 -0.154 1.00 0.00 H new ATOM 242 N LYS A 20 -5.894 -10.515 -0.950 1.00 0.00 N ATOM 243 CA LYS A 20 -6.988 -9.572 -1.107 1.00 0.00 C ATOM 244 C LYS A 20 -6.937 -8.546 0.027 1.00 0.00 C ATOM 245 O LYS A 20 -6.710 -8.903 1.182 1.00 0.00 O ATOM 246 CB LYS A 20 -8.324 -10.313 -1.206 1.00 0.00 C ATOM 247 CG LYS A 20 -8.412 -11.111 -2.508 1.00 0.00 C ATOM 248 CD LYS A 20 -8.362 -12.615 -2.232 1.00 0.00 C ATOM 249 CE LYS A 20 -9.742 -13.252 -2.407 1.00 0.00 C ATOM 250 NZ LYS A 20 -9.872 -14.452 -1.549 1.00 0.00 N ATOM 0 H LYS A 20 -5.965 -11.118 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.885 -9.021 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.435 -10.985 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.145 -9.598 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.337 -10.864 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.590 -10.831 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.651 -13.089 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.003 -12.790 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.517 -12.530 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.893 -13.526 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.814 -14.872 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.144 -15.147 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.749 -14.181 -0.552 1.00 0.00 H new ATOM 264 N VAL A 21 -7.152 -7.292 -0.342 1.00 0.00 N ATOM 265 CA VAL A 21 -7.133 -6.211 0.628 1.00 0.00 C ATOM 266 C VAL A 21 -8.552 -5.664 0.802 1.00 0.00 C ATOM 267 O VAL A 21 -9.058 -4.952 -0.064 1.00 0.00 O ATOM 268 CB VAL A 21 -6.128 -5.140 0.201 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.179 -3.935 1.140 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.713 -5.717 0.124 1.00 0.00 C ATOM 0 H VAL A 21 -7.341 -7.000 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.803 -6.577 1.600 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.405 -4.798 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.455 -3.189 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.179 -3.502 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.939 -4.254 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.017 -4.935 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.422 -6.099 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.690 -6.528 -0.604 1.00 0.00 H new ATOM 280 N ALA A 22 -9.154 -6.018 1.929 1.00 0.00 N ATOM 281 CA ALA A 22 -10.504 -5.570 2.228 1.00 0.00 C ATOM 282 C ALA A 22 -10.441 -4.229 2.963 1.00 0.00 C ATOM 283 O ALA A 22 -9.707 -4.086 3.939 1.00 0.00 O ATOM 284 CB ALA A 22 -11.230 -6.645 3.039 1.00 0.00 C ATOM 0 H ALA A 22 -8.732 -6.609 2.645 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.070 -5.416 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.243 -6.310 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.273 -7.569 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.692 -6.824 3.970 1.00 0.00 H new ATOM 290 N GLY A 23 -11.220 -3.281 2.465 1.00 0.00 N ATOM 291 CA GLY A 23 -11.263 -1.958 3.062 1.00 0.00 C ATOM 292 C GLY A 23 -12.561 -1.750 3.846 1.00 0.00 C ATOM 293 O GLY A 23 -13.634 -1.630 3.256 1.00 0.00 O ATOM 0 H GLY A 23 -11.827 -3.403 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.408 -1.827 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.180 -1.201 2.282 1.00 0.00 H new ATOM 297 N ALA A 24 -12.420 -1.716 5.162 1.00 0.00 N ATOM 298 CA ALA A 24 -13.567 -1.525 6.033 1.00 0.00 C ATOM 299 C ALA A 24 -13.729 -0.035 6.340 1.00 0.00 C ATOM 300 O ALA A 24 -12.907 0.550 7.045 1.00 0.00 O ATOM 301 CB ALA A 24 -13.392 -2.365 7.300 1.00 0.00 C ATOM 0 H ALA A 24 -11.528 -1.818 5.647 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.480 -1.861 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.253 -2.222 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.313 -3.418 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.486 -2.054 7.820 1.00 0.00 H new ATOM 307 N GLY A 25 -14.792 0.537 5.795 1.00 0.00 N ATOM 308 CA GLY A 25 -15.070 1.949 6.002 1.00 0.00 C ATOM 309 C GLY A 25 -13.969 2.820 5.397 1.00 0.00 C ATOM 310 O GLY A 25 -13.558 3.810 5.996 1.00 0.00 O ATOM 0 H GLY A 25 -15.471 0.049 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.029 2.204 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.155 2.154 7.069 1.00 0.00 H new ATOM 314 N LEU A 26 -13.520 2.417 4.216 1.00 0.00 N ATOM 315 CA LEU A 26 -12.475 3.149 3.523 1.00 0.00 C ATOM 316 C LEU A 26 -13.104 4.274 2.700 1.00 0.00 C ATOM 317 O LEU A 26 -13.801 5.131 3.241 1.00 0.00 O ATOM 318 CB LEU A 26 -11.609 2.193 2.699 1.00 0.00 C ATOM 319 CG LEU A 26 -10.191 2.677 2.384 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.163 4.191 2.171 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.207 2.228 3.468 1.00 0.00 C ATOM 0 H LEU A 26 -13.862 1.592 3.723 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.800 3.618 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.538 1.246 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.120 1.990 1.758 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.871 2.217 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.144 4.508 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.815 4.453 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.510 4.692 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.207 2.584 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.512 2.640 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.201 1.140 3.525 1.00 0.00 H new ATOM 333 N GLN A 27 -12.835 4.235 1.401 1.00 0.00 N ATOM 334 CA GLN A 27 -13.367 5.242 0.499 1.00 0.00 C ATOM 335 C GLN A 27 -14.824 5.553 0.848 1.00 0.00 C ATOM 336 O GLN A 27 -15.321 6.636 0.543 1.00 0.00 O ATOM 337 CB GLN A 27 -13.236 4.792 -0.959 1.00 0.00 C ATOM 338 CG GLN A 27 -11.888 5.219 -1.546 1.00 0.00 C ATOM 339 CD GLN A 27 -11.836 6.734 -1.757 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.130 7.247 -2.825 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.449 7.418 -0.683 1.00 0.00 N ATOM 0 H GLN A 27 -12.257 3.523 0.954 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.784 6.155 0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.336 3.708 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.046 5.220 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.083 4.914 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.724 4.710 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.218 6.925 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.384 8.435 -0.722 1.00 0.00 H new ATOM 350 N ALA A 28 -15.467 4.583 1.481 1.00 0.00 N ATOM 351 CA ALA A 28 -16.856 4.740 1.875 1.00 0.00 C ATOM 352 C ALA A 28 -17.699 5.059 0.639 1.00 0.00 C ATOM 353 O ALA A 28 -18.391 6.077 0.602 1.00 0.00 O ATOM 354 CB ALA A 28 -16.963 5.824 2.950 1.00 0.00 C ATOM 0 H ALA A 28 -15.051 3.686 1.731 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.240 3.815 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.006 5.942 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.370 5.535 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.590 6.768 2.553 1.00 0.00 H new ATOM 360 N GLY A 29 -17.615 4.174 -0.340 1.00 0.00 N ATOM 361 CA GLY A 29 -18.361 4.349 -1.575 1.00 0.00 C ATOM 362 C GLY A 29 -17.512 5.058 -2.633 1.00 0.00 C ATOM 363 O GLY A 29 -17.717 4.864 -3.830 1.00 0.00 O ATOM 0 H GLY A 29 -17.041 3.331 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.681 3.377 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.264 4.928 -1.380 1.00 0.00 H new ATOM 367 N THR A 30 -16.579 5.865 -2.153 1.00 0.00 N ATOM 368 CA THR A 30 -15.699 6.604 -3.042 1.00 0.00 C ATOM 369 C THR A 30 -14.803 5.644 -3.826 1.00 0.00 C ATOM 370 O THR A 30 -15.119 4.462 -3.958 1.00 0.00 O ATOM 371 CB THR A 30 -14.916 7.615 -2.202 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.871 8.094 -1.257 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.525 8.861 -2.997 1.00 0.00 C ATOM 0 H THR A 30 -16.413 6.024 -1.159 1.00 0.00 H new ATOM 0 HA THR A 30 -16.268 7.154 -3.792 1.00 0.00 H new ATOM 0 HB THR A 30 -14.018 7.140 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.676 7.716 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.972 9.545 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.900 8.572 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.424 9.356 -3.364 1.00 0.00 H new ATOM 381 N ALA A 31 -13.702 6.185 -4.325 1.00 0.00 N ATOM 382 CA ALA A 31 -12.757 5.390 -5.092 1.00 0.00 C ATOM 383 C ALA A 31 -11.362 6.007 -4.970 1.00 0.00 C ATOM 384 O ALA A 31 -11.189 7.205 -5.190 1.00 0.00 O ATOM 385 CB ALA A 31 -13.230 5.297 -6.544 1.00 0.00 C ATOM 0 H ALA A 31 -13.442 7.165 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.703 4.374 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.522 4.701 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.212 4.826 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.293 6.298 -6.971 1.00 0.00 H new ATOM 391 N TYR A 32 -10.405 5.161 -4.622 1.00 0.00 N ATOM 392 CA TYR A 32 -9.031 5.607 -4.470 1.00 0.00 C ATOM 393 C TYR A 32 -8.065 4.667 -5.196 1.00 0.00 C ATOM 394 O TYR A 32 -8.487 3.823 -5.984 1.00 0.00 O ATOM 395 CB TYR A 32 -8.736 5.564 -2.970 1.00 0.00 C ATOM 396 CG TYR A 32 -8.984 6.890 -2.248 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.511 7.964 -2.938 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.682 7.014 -0.907 1.00 0.00 C ATOM 399 CE1 TYR A 32 -9.743 9.211 -2.259 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.915 8.261 -0.229 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.433 9.298 -0.938 1.00 0.00 C ATOM 402 OH TYR A 32 -9.655 10.477 -0.296 1.00 0.00 O ATOM 0 H TYR A 32 -10.554 4.168 -4.441 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.903 6.604 -4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.353 4.791 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.696 5.271 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.749 7.868 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.271 6.174 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.154 10.059 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.683 8.371 0.820 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.798 10.873 -0.034 1.00 0.00 H new ATOM 412 N ASP A 33 -6.785 4.845 -4.902 1.00 0.00 N ATOM 413 CA ASP A 33 -5.756 4.024 -5.515 1.00 0.00 C ATOM 414 C ASP A 33 -5.027 3.230 -4.428 1.00 0.00 C ATOM 415 O ASP A 33 -4.401 3.810 -3.543 1.00 0.00 O ATOM 416 CB ASP A 33 -4.722 4.887 -6.240 1.00 0.00 C ATOM 417 CG ASP A 33 -4.358 4.411 -7.648 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.693 3.355 -7.737 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.750 5.115 -8.605 1.00 0.00 O ATOM 0 H ASP A 33 -6.438 5.546 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.239 3.359 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.102 5.907 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.814 4.922 -5.638 1.00 0.00 H new ATOM 425 N VAL A 34 -5.134 1.912 -4.532 1.00 0.00 N ATOM 426 CA VAL A 34 -4.496 1.033 -3.569 1.00 0.00 C ATOM 427 C VAL A 34 -3.000 0.948 -3.878 1.00 0.00 C ATOM 428 O VAL A 34 -2.593 1.073 -5.031 1.00 0.00 O ATOM 429 CB VAL A 34 -5.184 -0.334 -3.569 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.187 -1.452 -3.266 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.353 -0.358 -2.580 1.00 0.00 C ATOM 0 H VAL A 34 -5.653 1.434 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.599 1.433 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.585 -0.507 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.704 -2.412 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.404 -1.456 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.742 -1.286 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.825 -1.340 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.984 -0.152 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.083 0.401 -2.861 1.00 0.00 H new ATOM 441 N GLY A 35 -2.223 0.731 -2.827 1.00 0.00 N ATOM 442 CA GLY A 35 -0.780 0.626 -2.972 1.00 0.00 C ATOM 443 C GLY A 35 -0.090 0.629 -1.607 1.00 0.00 C ATOM 444 O GLY A 35 -0.574 1.252 -0.663 1.00 0.00 O ATOM 0 H GLY A 35 -2.565 0.625 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.531 -0.290 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.410 1.457 -3.572 1.00 0.00 H new ATOM 448 N GLN A 36 1.031 -0.075 -1.542 1.00 0.00 N ATOM 449 CA GLN A 36 1.792 -0.162 -0.308 1.00 0.00 C ATOM 450 C GLN A 36 2.860 0.933 -0.264 1.00 0.00 C ATOM 451 O GLN A 36 4.018 0.689 -0.598 1.00 0.00 O ATOM 452 CB GLN A 36 2.421 -1.547 -0.149 1.00 0.00 C ATOM 453 CG GLN A 36 3.544 -1.761 -1.165 1.00 0.00 C ATOM 454 CD GLN A 36 3.291 -3.014 -2.006 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.631 -3.951 -1.587 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.851 -2.979 -3.212 1.00 0.00 N ATOM 0 H GLN A 36 1.431 -0.591 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 36 1.109 -0.010 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.815 -1.657 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.657 -2.314 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.620 -0.891 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.497 -1.854 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.391 -2.163 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.740 -3.768 -3.849 1.00 0.00 H new ATOM 465 N CYS A 37 2.431 2.117 0.148 1.00 0.00 N ATOM 466 CA CYS A 37 3.335 3.252 0.238 1.00 0.00 C ATOM 467 C CYS A 37 3.898 3.303 1.661 1.00 0.00 C ATOM 468 O CYS A 37 3.247 2.862 2.606 1.00 0.00 O ATOM 469 CB CYS A 37 2.643 4.559 -0.149 1.00 0.00 C ATOM 470 SG CYS A 37 3.778 5.950 -0.511 1.00 0.00 S ATOM 0 H CYS A 37 1.469 2.315 0.423 1.00 0.00 H new ATOM 0 HA CYS A 37 4.152 3.128 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.021 4.379 -1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.976 4.854 0.661 1.00 0.00 H new ATOM 475 N ALA A 38 5.104 3.845 1.766 1.00 0.00 N ATOM 476 CA ALA A 38 5.761 3.960 3.056 1.00 0.00 C ATOM 477 C ALA A 38 7.027 4.807 2.904 1.00 0.00 C ATOM 478 O ALA A 38 7.424 5.141 1.789 1.00 0.00 O ATOM 479 CB ALA A 38 6.057 2.563 3.605 1.00 0.00 C ATOM 0 H ALA A 38 5.642 4.209 0.979 1.00 0.00 H new ATOM 0 HA ALA A 38 5.112 4.461 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.550 2.650 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.123 2.012 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.709 2.030 2.912 1.00 0.00 H new ATOM 485 N TRP A 39 7.626 5.129 4.041 1.00 0.00 N ATOM 486 CA TRP A 39 8.838 5.930 4.049 1.00 0.00 C ATOM 487 C TRP A 39 10.005 5.024 3.653 1.00 0.00 C ATOM 488 O TRP A 39 10.255 4.008 4.302 1.00 0.00 O ATOM 489 CB TRP A 39 9.038 6.608 5.405 1.00 0.00 C ATOM 490 CG TRP A 39 7.736 7.017 6.095 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.148 8.221 6.098 1.00 0.00 C ATOM 492 CD2 TRP A 39 6.881 6.169 6.888 1.00 0.00 C ATOM 493 NE1 TRP A 39 5.981 8.211 6.833 1.00 0.00 N ATOM 494 CE2 TRP A 39 5.812 6.923 7.329 1.00 0.00 C ATOM 495 CE3 TRP A 39 7.004 4.809 7.223 1.00 0.00 C ATOM 496 CZ2 TRP A 39 4.785 6.406 8.128 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.971 4.307 8.022 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.888 5.053 8.474 1.00 0.00 C ATOM 0 H TRP A 39 7.294 4.849 4.964 1.00 0.00 H new ATOM 0 HA TRP A 39 8.769 6.743 3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.587 5.932 6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.659 7.494 5.269 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.539 9.090 5.589 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.357 9.003 6.985 1.00 0.00 H new ATOM 0 HE3 TRP A 39 7.831 4.200 6.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.959 7.017 8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.018 3.267 8.308 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.130 4.591 9.089 1.00 0.00 H new ATOM 509 N VAL A 40 10.691 5.423 2.592 1.00 0.00 N ATOM 510 CA VAL A 40 11.826 4.659 2.102 1.00 0.00 C ATOM 511 C VAL A 40 13.121 5.334 2.557 1.00 0.00 C ATOM 512 O VAL A 40 14.014 4.676 3.091 1.00 0.00 O ATOM 513 CB VAL A 40 11.734 4.501 0.584 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.095 5.808 -0.126 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.617 3.351 0.098 1.00 0.00 C ATOM 0 H VAL A 40 10.482 6.266 2.057 1.00 0.00 H new ATOM 0 HA VAL A 40 11.820 3.652 2.520 1.00 0.00 H new ATOM 0 HB VAL A 40 10.701 4.258 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.022 5.668 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.407 6.594 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.114 6.094 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.533 3.260 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.655 3.551 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.294 2.421 0.566 1.00 0.00 H new ATOM 525 N ASP A 41 13.185 6.637 2.328 1.00 0.00 N ATOM 526 CA ASP A 41 14.357 7.407 2.708 1.00 0.00 C ATOM 527 C ASP A 41 14.183 7.921 4.137 1.00 0.00 C ATOM 528 O ASP A 41 13.380 7.386 4.900 1.00 0.00 O ATOM 529 CB ASP A 41 14.541 8.618 1.789 1.00 0.00 C ATOM 530 CG ASP A 41 15.948 8.786 1.214 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.155 9.795 0.508 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.784 7.900 1.493 1.00 0.00 O ATOM 0 H ASP A 41 12.444 7.179 1.884 1.00 0.00 H new ATOM 0 HA ASP A 41 15.228 6.757 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.834 8.539 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.282 9.519 2.345 1.00 0.00 H new ATOM 538 N THR A 42 14.950 8.952 4.459 1.00 0.00 N ATOM 539 CA THR A 42 14.893 9.543 5.786 1.00 0.00 C ATOM 540 C THR A 42 13.710 10.509 5.887 1.00 0.00 C ATOM 541 O THR A 42 13.840 11.690 5.573 1.00 0.00 O ATOM 542 CB THR A 42 16.243 10.205 6.069 1.00 0.00 C ATOM 543 OG1 THR A 42 17.067 9.134 6.522 1.00 0.00 O ATOM 544 CG2 THR A 42 16.187 11.163 7.261 1.00 0.00 C ATOM 0 H THR A 42 15.615 9.394 3.824 1.00 0.00 H new ATOM 0 HA THR A 42 14.721 8.785 6.550 1.00 0.00 H new ATOM 0 HB THR A 42 16.574 10.747 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.963 9.475 6.727 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.171 11.606 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.462 11.952 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.888 10.615 8.155 1.00 0.00 H new ATOM 552 N GLY A 43 12.584 9.969 6.331 1.00 0.00 N ATOM 553 CA GLY A 43 11.379 10.767 6.477 1.00 0.00 C ATOM 554 C GLY A 43 10.766 11.092 5.112 1.00 0.00 C ATOM 555 O GLY A 43 9.832 11.887 5.023 1.00 0.00 O ATOM 0 H GLY A 43 12.481 8.989 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.653 10.228 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.613 11.692 7.004 1.00 0.00 H new ATOM 559 N VAL A 44 11.317 10.461 4.087 1.00 0.00 N ATOM 560 CA VAL A 44 10.837 10.674 2.733 1.00 0.00 C ATOM 561 C VAL A 44 9.847 9.564 2.368 1.00 0.00 C ATOM 562 O VAL A 44 10.232 8.404 2.233 1.00 0.00 O ATOM 563 CB VAL A 44 12.018 10.761 1.766 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.577 11.316 0.410 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.152 11.601 2.359 1.00 0.00 C ATOM 0 H VAL A 44 12.091 9.802 4.167 1.00 0.00 H new ATOM 0 HA VAL A 44 10.305 11.623 2.661 1.00 0.00 H new ATOM 0 HB VAL A 44 12.396 9.751 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.436 11.367 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.820 10.662 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.161 12.315 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.979 11.647 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.791 12.609 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.494 11.146 3.288 1.00 0.00 H new ATOM 575 N LEU A 45 8.592 9.961 2.217 1.00 0.00 N ATOM 576 CA LEU A 45 7.545 9.016 1.872 1.00 0.00 C ATOM 577 C LEU A 45 7.663 8.648 0.390 1.00 0.00 C ATOM 578 O LEU A 45 7.584 9.518 -0.475 1.00 0.00 O ATOM 579 CB LEU A 45 6.172 9.569 2.259 1.00 0.00 C ATOM 580 CG LEU A 45 5.033 8.551 2.337 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.637 8.282 3.790 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.840 8.995 1.489 1.00 0.00 C ATOM 0 H LEU A 45 8.277 10.925 2.327 1.00 0.00 H new ATOM 0 HA LEU A 45 7.664 8.094 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.261 10.059 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.896 10.338 1.537 1.00 0.00 H new ATOM 0 HG LEU A 45 5.389 7.608 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.825 7.555 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.495 7.888 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.308 9.211 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.045 8.253 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.474 9.956 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.150 9.093 0.448 1.00 0.00 H new ATOM 594 N ALA A 46 7.852 7.360 0.146 1.00 0.00 N ATOM 595 CA ALA A 46 7.983 6.868 -1.214 1.00 0.00 C ATOM 596 C ALA A 46 7.046 5.676 -1.413 1.00 0.00 C ATOM 597 O ALA A 46 6.865 4.866 -0.506 1.00 0.00 O ATOM 598 CB ALA A 46 9.446 6.513 -1.488 1.00 0.00 C ATOM 0 H ALA A 46 7.918 6.642 0.868 1.00 0.00 H new ATOM 0 HA ALA A 46 7.694 7.637 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.546 6.143 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.066 7.401 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.770 5.742 -0.790 1.00 0.00 H new ATOM 604 N CYS A 47 6.475 5.605 -2.607 1.00 0.00 N ATOM 605 CA CYS A 47 5.559 4.528 -2.938 1.00 0.00 C ATOM 606 C CYS A 47 6.236 3.625 -3.972 1.00 0.00 C ATOM 607 O CYS A 47 7.043 4.090 -4.774 1.00 0.00 O ATOM 608 CB CYS A 47 4.214 5.058 -3.435 1.00 0.00 C ATOM 609 SG CYS A 47 3.601 6.541 -2.554 1.00 0.00 S ATOM 0 H CYS A 47 6.630 6.278 -3.358 1.00 0.00 H new ATOM 0 HA CYS A 47 5.335 3.950 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.301 5.293 -4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.471 4.266 -3.344 1.00 0.00 H new ATOM 614 N ASN A 48 5.879 2.349 -3.920 1.00 0.00 N ATOM 615 CA ASN A 48 6.440 1.376 -4.842 1.00 0.00 C ATOM 616 C ASN A 48 5.675 1.433 -6.164 1.00 0.00 C ATOM 617 O ASN A 48 4.653 2.114 -6.267 1.00 0.00 O ATOM 618 CB ASN A 48 6.319 -0.043 -4.286 1.00 0.00 C ATOM 619 CG ASN A 48 6.347 -0.039 -2.757 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.749 -0.872 -2.097 1.00 0.00 O ATOM 621 ND2 ASN A 48 7.072 0.946 -2.232 1.00 0.00 N ATOM 0 H ASN A 48 5.208 1.967 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 48 7.493 1.617 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.391 -0.496 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.136 -0.657 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.152 1.037 -1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.548 1.610 -2.843 1.00 0.00 H new ATOM 628 N PRO A 49 6.208 0.693 -7.173 1.00 0.00 N ATOM 629 CA PRO A 49 5.586 0.651 -8.484 1.00 0.00 C ATOM 630 C PRO A 49 4.326 -0.217 -8.467 1.00 0.00 C ATOM 631 O PRO A 49 3.562 -0.226 -9.430 1.00 0.00 O ATOM 632 CB PRO A 49 6.663 0.118 -9.413 1.00 0.00 C ATOM 633 CG PRO A 49 7.691 -0.556 -8.519 1.00 0.00 C ATOM 634 CD PRO A 49 7.415 -0.124 -7.088 1.00 0.00 C ATOM 0 HA PRO A 49 5.240 1.630 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.245 -0.589 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.116 0.925 -9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.625 -1.640 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.701 -0.272 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.265 -0.985 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.250 0.444 -6.678 1.00 0.00 H new ATOM 642 N ALA A 50 4.149 -0.924 -7.361 1.00 0.00 N ATOM 643 CA ALA A 50 2.995 -1.794 -7.206 1.00 0.00 C ATOM 644 C ALA A 50 1.984 -1.130 -6.267 1.00 0.00 C ATOM 645 O ALA A 50 1.054 -1.779 -5.794 1.00 0.00 O ATOM 646 CB ALA A 50 3.453 -3.162 -6.697 1.00 0.00 C ATOM 0 H ALA A 50 4.785 -0.912 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 50 2.500 -1.952 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.588 -3.815 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.147 -3.603 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.951 -3.044 -5.735 1.00 0.00 H new ATOM 652 N ASP A 51 2.203 0.153 -6.026 1.00 0.00 N ATOM 653 CA ASP A 51 1.324 0.913 -5.153 1.00 0.00 C ATOM 654 C ASP A 51 0.184 1.510 -5.981 1.00 0.00 C ATOM 655 O ASP A 51 -0.586 2.331 -5.482 1.00 0.00 O ATOM 656 CB ASP A 51 2.074 2.064 -4.480 1.00 0.00 C ATOM 657 CG ASP A 51 1.185 3.183 -3.933 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.831 3.093 -2.738 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.880 4.102 -4.723 1.00 0.00 O ATOM 0 H ASP A 51 2.977 0.687 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 51 0.942 0.237 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.669 1.660 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.771 2.493 -5.199 1.00 0.00 H new ATOM 665 N PHE A 52 0.111 1.077 -7.230 1.00 0.00 N ATOM 666 CA PHE A 52 -0.922 1.559 -8.132 1.00 0.00 C ATOM 667 C PHE A 52 -1.988 0.488 -8.367 1.00 0.00 C ATOM 668 O PHE A 52 -1.798 -0.413 -9.181 1.00 0.00 O ATOM 669 CB PHE A 52 -0.240 1.883 -9.461 1.00 0.00 C ATOM 670 CG PHE A 52 1.084 2.639 -9.315 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.141 3.768 -8.560 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.201 2.177 -9.937 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.369 4.469 -8.425 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.429 2.879 -9.802 1.00 0.00 C ATOM 675 CZ PHE A 52 3.487 4.009 -9.047 1.00 0.00 C ATOM 0 H PHE A 52 0.751 0.397 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.412 2.433 -7.703 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.058 0.953 -10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.920 2.477 -10.071 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.254 4.132 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.155 1.278 -10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.415 5.368 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.316 2.515 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.421 4.541 -8.942 1.00 0.00 H new ATOM 685 N SER A 53 -3.088 0.620 -7.638 1.00 0.00 N ATOM 686 CA SER A 53 -4.183 -0.325 -7.755 1.00 0.00 C ATOM 687 C SER A 53 -5.519 0.399 -7.577 1.00 0.00 C ATOM 688 O SER A 53 -6.121 0.342 -6.503 1.00 0.00 O ATOM 689 CB SER A 53 -4.050 -1.455 -6.734 1.00 0.00 C ATOM 690 OG SER A 53 -5.115 -2.395 -6.835 1.00 0.00 O ATOM 0 H SER A 53 -3.243 1.369 -6.963 1.00 0.00 H new ATOM 0 HA SER A 53 -4.147 -0.768 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.099 -1.967 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.032 -1.035 -5.729 1.00 0.00 H new ATOM 0 HG SER A 53 -5.182 -2.904 -6.000 1.00 0.00 H new ATOM 696 N SER A 54 -5.947 1.061 -8.641 1.00 0.00 N ATOM 697 CA SER A 54 -7.200 1.795 -8.614 1.00 0.00 C ATOM 698 C SER A 54 -8.346 0.859 -8.226 1.00 0.00 C ATOM 699 O SER A 54 -8.530 -0.191 -8.840 1.00 0.00 O ATOM 700 CB SER A 54 -7.485 2.449 -9.967 1.00 0.00 C ATOM 701 OG SER A 54 -7.550 1.489 -11.020 1.00 0.00 O ATOM 0 H SER A 54 -5.447 1.104 -9.529 1.00 0.00 H new ATOM 0 HA SER A 54 -7.116 2.586 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.427 2.995 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.706 3.178 -10.189 1.00 0.00 H new ATOM 0 HG SER A 54 -7.744 0.605 -10.645 1.00 0.00 H new ATOM 707 N VAL A 55 -9.085 1.271 -7.205 1.00 0.00 N ATOM 708 CA VAL A 55 -10.207 0.482 -6.727 1.00 0.00 C ATOM 709 C VAL A 55 -11.215 1.403 -6.037 1.00 0.00 C ATOM 710 O VAL A 55 -10.875 2.521 -5.650 1.00 0.00 O ATOM 711 CB VAL A 55 -9.706 -0.643 -5.819 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.134 -0.082 -4.516 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.816 -1.656 -5.538 1.00 0.00 C ATOM 0 H VAL A 55 -8.928 2.141 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.721 0.004 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.903 -1.162 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.785 -0.902 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.300 0.583 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.909 0.474 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.433 -2.445 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.650 -1.155 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.158 -2.091 -6.477 1.00 0.00 H new ATOM 723 N THR A 56 -12.435 0.901 -5.903 1.00 0.00 N ATOM 724 CA THR A 56 -13.494 1.665 -5.267 1.00 0.00 C ATOM 725 C THR A 56 -14.102 0.871 -4.111 1.00 0.00 C ATOM 726 O THR A 56 -14.147 -0.358 -4.153 1.00 0.00 O ATOM 727 CB THR A 56 -14.510 2.050 -6.343 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.841 3.401 -6.041 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.836 1.299 -6.191 1.00 0.00 C ATOM 0 H THR A 56 -12.713 -0.026 -6.225 1.00 0.00 H new ATOM 0 HA THR A 56 -13.109 2.582 -4.822 1.00 0.00 H new ATOM 0 HB THR A 56 -14.089 1.849 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.896 3.515 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.522 1.609 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.657 0.226 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.274 1.527 -5.219 1.00 0.00 H new ATOM 737 N ALA A 57 -14.556 1.603 -3.105 1.00 0.00 N ATOM 738 CA ALA A 57 -15.163 0.983 -1.940 1.00 0.00 C ATOM 739 C ALA A 57 -16.676 0.901 -2.139 1.00 0.00 C ATOM 740 O ALA A 57 -17.296 1.850 -2.618 1.00 0.00 O ATOM 741 CB ALA A 57 -14.782 1.773 -0.686 1.00 0.00 C ATOM 0 H ALA A 57 -14.516 2.622 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.793 -0.034 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.237 1.309 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.698 1.775 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.139 2.799 -0.779 1.00 0.00 H new ATOM 747 N ASP A 58 -17.228 -0.243 -1.764 1.00 0.00 N ATOM 748 CA ASP A 58 -18.659 -0.464 -1.895 1.00 0.00 C ATOM 749 C ASP A 58 -19.407 0.509 -0.983 1.00 0.00 C ATOM 750 O ASP A 58 -18.826 1.057 -0.047 1.00 0.00 O ATOM 751 CB ASP A 58 -19.039 -1.886 -1.482 1.00 0.00 C ATOM 752 CG ASP A 58 -18.049 -2.972 -1.912 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.171 -2.643 -2.739 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.194 -4.106 -1.408 1.00 0.00 O ATOM 0 H ASP A 58 -16.710 -1.028 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.928 -0.309 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.141 -1.918 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.017 -2.121 -1.902 1.00 0.00 H new ATOM 760 N ALA A 59 -20.684 0.696 -1.287 1.00 0.00 N ATOM 761 CA ALA A 59 -21.515 1.593 -0.505 1.00 0.00 C ATOM 762 C ALA A 59 -21.132 1.482 0.971 1.00 0.00 C ATOM 763 O ALA A 59 -21.118 2.479 1.690 1.00 0.00 O ATOM 764 CB ALA A 59 -22.990 1.266 -0.750 1.00 0.00 C ATOM 0 H ALA A 59 -21.162 0.241 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.354 2.627 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.614 1.939 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.219 1.389 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.189 0.236 -0.453 1.00 0.00 H new ATOM 770 N ASN A 60 -20.830 0.259 1.381 1.00 0.00 N ATOM 771 CA ASN A 60 -20.446 0.004 2.758 1.00 0.00 C ATOM 772 C ASN A 60 -18.935 0.191 2.906 1.00 0.00 C ATOM 773 O ASN A 60 -18.281 -0.556 3.636 1.00 0.00 O ATOM 774 CB ASN A 60 -20.787 -1.431 3.170 1.00 0.00 C ATOM 775 CG ASN A 60 -21.351 -1.473 4.591 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.540 -0.459 5.243 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.608 -2.701 5.034 1.00 0.00 N ATOM 0 H ASN A 60 -20.844 -0.567 0.783 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.992 0.701 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.513 -1.850 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.893 -2.052 3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.987 -2.836 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.426 -3.507 4.436 1.00 0.00 H new ATOM 784 N GLY A 61 -18.423 1.191 2.203 1.00 0.00 N ATOM 785 CA GLY A 61 -17.000 1.484 2.247 1.00 0.00 C ATOM 786 C GLY A 61 -16.175 0.196 2.229 1.00 0.00 C ATOM 787 O GLY A 61 -15.144 0.106 2.895 1.00 0.00 O ATOM 0 H GLY A 61 -18.967 1.808 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.727 2.107 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.770 2.055 3.147 1.00 0.00 H new ATOM 791 N SER A 62 -16.655 -0.768 1.459 1.00 0.00 N ATOM 792 CA SER A 62 -15.975 -2.046 1.347 1.00 0.00 C ATOM 793 C SER A 62 -15.087 -2.057 0.100 1.00 0.00 C ATOM 794 O SER A 62 -15.576 -2.267 -1.011 1.00 0.00 O ATOM 795 CB SER A 62 -16.975 -3.201 1.296 1.00 0.00 C ATOM 796 OG SER A 62 -17.794 -3.249 2.461 1.00 0.00 O ATOM 0 H SER A 62 -17.508 -0.689 0.906 1.00 0.00 H new ATOM 0 HA SER A 62 -15.352 -2.181 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.606 -3.096 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.436 -4.143 1.192 1.00 0.00 H new ATOM 0 HG SER A 62 -17.805 -2.368 2.890 1.00 0.00 H new ATOM 802 N ALA A 63 -13.801 -1.830 0.325 1.00 0.00 N ATOM 803 CA ALA A 63 -12.843 -1.811 -0.766 1.00 0.00 C ATOM 804 C ALA A 63 -12.057 -3.124 -0.772 1.00 0.00 C ATOM 805 O ALA A 63 -10.987 -3.214 -0.173 1.00 0.00 O ATOM 806 CB ALA A 63 -11.932 -0.589 -0.627 1.00 0.00 C ATOM 0 H ALA A 63 -13.401 -1.658 1.247 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.356 -1.728 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.213 -0.576 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.534 0.319 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.399 -0.639 0.322 1.00 0.00 H new ATOM 812 N SER A 64 -12.620 -4.111 -1.455 1.00 0.00 N ATOM 813 CA SER A 64 -11.984 -5.413 -1.546 1.00 0.00 C ATOM 814 C SER A 64 -11.168 -5.510 -2.837 1.00 0.00 C ATOM 815 O SER A 64 -11.629 -6.074 -3.828 1.00 0.00 O ATOM 816 CB SER A 64 -13.023 -6.536 -1.492 1.00 0.00 C ATOM 817 OG SER A 64 -13.918 -6.491 -2.602 1.00 0.00 O ATOM 0 H SER A 64 -13.509 -4.034 -1.950 1.00 0.00 H new ATOM 0 HA SER A 64 -11.316 -5.527 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.514 -7.500 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.591 -6.460 -0.565 1.00 0.00 H new ATOM 0 HG SER A 64 -13.410 -6.341 -3.426 1.00 0.00 H new ATOM 823 N THR A 65 -9.969 -4.949 -2.782 1.00 0.00 N ATOM 824 CA THR A 65 -9.083 -4.962 -3.933 1.00 0.00 C ATOM 825 C THR A 65 -7.923 -5.931 -3.701 1.00 0.00 C ATOM 826 O THR A 65 -7.304 -5.922 -2.638 1.00 0.00 O ATOM 827 CB THR A 65 -8.631 -3.525 -4.201 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.399 -3.490 -5.607 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.262 -3.219 -3.589 1.00 0.00 C ATOM 0 H THR A 65 -9.590 -4.482 -1.958 1.00 0.00 H new ATOM 0 HA THR A 65 -9.597 -5.326 -4.823 1.00 0.00 H new ATOM 0 HB THR A 65 -9.371 -2.831 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.596 -2.961 -5.793 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.988 -2.187 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.306 -3.361 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.516 -3.890 -4.013 1.00 0.00 H new ATOM 837 N SER A 66 -7.660 -6.744 -4.715 1.00 0.00 N ATOM 838 CA SER A 66 -6.583 -7.718 -4.633 1.00 0.00 C ATOM 839 C SER A 66 -5.296 -7.122 -5.205 1.00 0.00 C ATOM 840 O SER A 66 -5.322 -6.448 -6.232 1.00 0.00 O ATOM 841 CB SER A 66 -6.950 -9.006 -5.375 1.00 0.00 C ATOM 842 OG SER A 66 -6.828 -8.861 -6.787 1.00 0.00 O ATOM 0 H SER A 66 -8.173 -6.748 -5.596 1.00 0.00 H new ATOM 0 HA SER A 66 -6.424 -7.968 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.304 -9.816 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.973 -9.289 -5.126 1.00 0.00 H new ATOM 0 HG SER A 66 -7.069 -9.704 -7.224 1.00 0.00 H new ATOM 848 N LEU A 67 -4.198 -7.395 -4.515 1.00 0.00 N ATOM 849 CA LEU A 67 -2.903 -6.895 -4.942 1.00 0.00 C ATOM 850 C LEU A 67 -1.807 -7.828 -4.427 1.00 0.00 C ATOM 851 O LEU A 67 -2.060 -8.682 -3.580 1.00 0.00 O ATOM 852 CB LEU A 67 -2.722 -5.438 -4.511 1.00 0.00 C ATOM 853 CG LEU A 67 -2.166 -4.487 -5.574 1.00 0.00 C ATOM 854 CD1 LEU A 67 -0.648 -4.634 -5.699 1.00 0.00 C ATOM 855 CD2 LEU A 67 -2.873 -4.690 -6.915 1.00 0.00 C ATOM 0 H LEU A 67 -4.179 -7.956 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.836 -6.892 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.687 -5.056 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.056 -5.415 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.367 -3.464 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.277 -3.948 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.180 -4.402 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.404 -5.658 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.459 -4.002 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.725 -5.716 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.939 -4.497 -6.797 1.00 0.00 H new ATOM 867 N THR A 68 -0.608 -7.633 -4.961 1.00 0.00 N ATOM 868 CA THR A 68 0.528 -8.447 -4.565 1.00 0.00 C ATOM 869 C THR A 68 1.482 -7.640 -3.685 1.00 0.00 C ATOM 870 O THR A 68 1.694 -6.449 -3.920 1.00 0.00 O ATOM 871 CB THR A 68 1.187 -8.989 -5.835 1.00 0.00 C ATOM 872 OG1 THR A 68 0.126 -9.653 -6.521 1.00 0.00 O ATOM 873 CG2 THR A 68 2.197 -10.101 -5.544 1.00 0.00 C ATOM 0 H THR A 68 -0.400 -6.923 -5.664 1.00 0.00 H new ATOM 0 HA THR A 68 0.213 -9.295 -3.957 1.00 0.00 H new ATOM 0 HB THR A 68 1.687 -8.175 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.465 -10.033 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.634 -10.449 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.985 -9.717 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.692 -10.930 -5.049 1.00 0.00 H new ATOM 881 N VAL A 69 2.034 -8.316 -2.687 1.00 0.00 N ATOM 882 CA VAL A 69 2.961 -7.675 -1.771 1.00 0.00 C ATOM 883 C VAL A 69 4.381 -7.779 -2.332 1.00 0.00 C ATOM 884 O VAL A 69 5.113 -8.714 -2.016 1.00 0.00 O ATOM 885 CB VAL A 69 2.825 -8.290 -0.376 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.647 -7.507 0.650 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.356 -8.373 0.046 1.00 0.00 C ATOM 0 H VAL A 69 1.856 -9.302 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 69 2.727 -6.615 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 69 3.219 -9.305 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.533 -7.964 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.698 -7.522 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.296 -6.476 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.288 -8.814 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.925 -7.372 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.808 -8.993 -0.664 1.00 0.00 H new ATOM 897 N ARG A 70 4.728 -6.800 -3.158 1.00 0.00 N ATOM 898 CA ARG A 70 6.046 -6.767 -3.767 1.00 0.00 C ATOM 899 C ARG A 70 7.040 -6.057 -2.845 1.00 0.00 C ATOM 900 O ARG A 70 7.451 -4.932 -3.119 1.00 0.00 O ATOM 901 CB ARG A 70 6.012 -6.049 -5.118 1.00 0.00 C ATOM 902 CG ARG A 70 4.974 -6.683 -6.048 1.00 0.00 C ATOM 903 CD ARG A 70 5.649 -7.545 -7.116 1.00 0.00 C ATOM 904 NE ARG A 70 4.783 -8.693 -7.462 1.00 0.00 N ATOM 905 CZ ARG A 70 5.228 -9.830 -8.014 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.531 -9.976 -8.289 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.368 -10.820 -8.294 1.00 0.00 N ATOM 0 H ARG A 70 4.118 -6.025 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 70 6.363 -7.798 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.777 -4.995 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.997 -6.093 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.284 -7.293 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.383 -5.902 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.847 -6.947 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.612 -7.902 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 70 3.785 -8.614 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.184 -9.222 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.870 -10.842 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.376 -10.707 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.706 -11.686 -8.714 1.00 0.00 H new ATOM 921 N ARG A 71 7.397 -6.746 -1.770 1.00 0.00 N ATOM 922 CA ARG A 71 8.334 -6.195 -0.807 1.00 0.00 C ATOM 923 C ARG A 71 9.530 -5.571 -1.527 1.00 0.00 C ATOM 924 O ARG A 71 10.060 -4.550 -1.087 1.00 0.00 O ATOM 925 CB ARG A 71 8.835 -7.274 0.156 1.00 0.00 C ATOM 926 CG ARG A 71 9.758 -6.678 1.220 1.00 0.00 C ATOM 927 CD ARG A 71 10.971 -7.577 1.460 1.00 0.00 C ATOM 928 NE ARG A 71 10.549 -8.996 1.504 1.00 0.00 N ATOM 929 CZ ARG A 71 11.351 -10.008 1.859 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.624 -9.764 2.203 1.00 0.00 N ATOM 931 NH2 ARG A 71 10.884 -11.263 1.869 1.00 0.00 N ATOM 0 H ARG A 71 7.054 -7.680 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 71 7.809 -5.430 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.986 -7.759 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.368 -8.044 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.091 -5.689 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.208 -6.547 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.704 -7.432 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.457 -7.304 2.397 1.00 0.00 H new ATOM 0 HE ARG A 71 9.587 -9.216 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.980 -8.808 2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.236 -10.534 2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.916 -11.449 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.496 -12.033 2.140 1.00 0.00 H new ATOM 945 N SER A 72 9.921 -6.207 -2.621 1.00 0.00 N ATOM 946 CA SER A 72 11.044 -5.726 -3.406 1.00 0.00 C ATOM 947 C SER A 72 10.540 -5.039 -4.675 1.00 0.00 C ATOM 948 O SER A 72 9.742 -5.607 -5.419 1.00 0.00 O ATOM 949 CB SER A 72 11.996 -6.870 -3.765 1.00 0.00 C ATOM 950 OG SER A 72 11.303 -7.987 -4.315 1.00 0.00 O ATOM 0 H SER A 72 9.479 -7.052 -2.983 1.00 0.00 H new ATOM 0 HA SER A 72 11.596 -5.004 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.737 -6.514 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.539 -7.183 -2.873 1.00 0.00 H new ATOM 0 HG SER A 72 10.484 -7.679 -4.757 1.00 0.00 H new ATOM 956 N PHE A 73 11.026 -3.823 -4.885 1.00 0.00 N ATOM 957 CA PHE A 73 10.634 -3.051 -6.051 1.00 0.00 C ATOM 958 C PHE A 73 10.919 -1.563 -5.845 1.00 0.00 C ATOM 959 O PHE A 73 10.478 -0.974 -4.861 1.00 0.00 O ATOM 960 CB PHE A 73 9.126 -3.249 -6.233 1.00 0.00 C ATOM 961 CG PHE A 73 8.754 -4.139 -7.420 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.632 -5.076 -7.869 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.546 -3.996 -8.025 1.00 0.00 C ATOM 964 CE1 PHE A 73 9.286 -5.903 -8.970 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.200 -4.823 -9.126 1.00 0.00 C ATOM 966 CZ PHE A 73 8.077 -5.758 -9.575 1.00 0.00 C ATOM 0 H PHE A 73 11.688 -3.354 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 73 11.197 -3.384 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.715 -3.685 -5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.655 -2.274 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.592 -5.191 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.848 -3.253 -7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.983 -6.647 -9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.240 -4.709 -9.606 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.814 -6.387 -10.413 1.00 0.00 H new ATOM 976 N GLU A 74 11.654 -0.997 -6.792 1.00 0.00 N ATOM 977 CA GLU A 74 12.003 0.410 -6.726 1.00 0.00 C ATOM 978 C GLU A 74 10.834 1.271 -7.211 1.00 0.00 C ATOM 979 O GLU A 74 10.365 1.113 -8.336 1.00 0.00 O ATOM 980 CB GLU A 74 13.268 0.701 -7.538 1.00 0.00 C ATOM 981 CG GLU A 74 13.597 2.195 -7.525 1.00 0.00 C ATOM 982 CD GLU A 74 14.495 2.568 -8.708 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.725 2.624 -8.491 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.930 2.788 -9.801 1.00 0.00 O ATOM 0 H GLU A 74 12.017 -1.489 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 74 12.210 0.663 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.106 0.137 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.130 0.364 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.675 2.775 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.094 2.454 -6.590 1.00 0.00 H new ATOM 992 N GLY A 75 10.396 2.165 -6.335 1.00 0.00 N ATOM 993 CA GLY A 75 9.289 3.050 -6.658 1.00 0.00 C ATOM 994 C GLY A 75 9.768 4.497 -6.790 1.00 0.00 C ATOM 995 O GLY A 75 10.839 4.754 -7.338 1.00 0.00 O ATOM 0 H GLY A 75 10.788 2.295 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.823 2.731 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.527 2.984 -5.881 1.00 0.00 H new ATOM 999 N PHE A 76 8.950 5.407 -6.277 1.00 0.00 N ATOM 1000 CA PHE A 76 9.275 6.822 -6.332 1.00 0.00 C ATOM 1001 C PHE A 76 9.109 7.475 -4.959 1.00 0.00 C ATOM 1002 O PHE A 76 8.285 7.039 -4.156 1.00 0.00 O ATOM 1003 CB PHE A 76 8.297 7.467 -7.314 1.00 0.00 C ATOM 1004 CG PHE A 76 6.843 7.462 -6.839 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.075 6.352 -7.012 1.00 0.00 C ATOM 1006 CD2 PHE A 76 6.318 8.565 -6.242 1.00 0.00 C ATOM 1007 CE1 PHE A 76 4.726 6.347 -6.570 1.00 0.00 C ATOM 1008 CE2 PHE A 76 4.969 8.561 -5.800 1.00 0.00 C ATOM 1009 CZ PHE A 76 4.200 7.451 -5.975 1.00 0.00 C ATOM 0 H PHE A 76 8.063 5.191 -5.822 1.00 0.00 H new ATOM 0 HA PHE A 76 10.311 6.955 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.606 8.497 -7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.358 6.944 -8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.492 5.475 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.928 9.445 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.117 5.466 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.553 9.437 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.173 7.447 -5.641 1.00 0.00 H new ATOM 1019 N LEU A 77 9.904 8.510 -4.731 1.00 0.00 N ATOM 1020 CA LEU A 77 9.853 9.228 -3.470 1.00 0.00 C ATOM 1021 C LEU A 77 8.804 10.337 -3.559 1.00 0.00 C ATOM 1022 O LEU A 77 8.221 10.559 -4.619 1.00 0.00 O ATOM 1023 CB LEU A 77 11.247 9.730 -3.085 1.00 0.00 C ATOM 1024 CG LEU A 77 12.256 8.656 -2.668 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.566 8.808 -3.443 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.480 8.669 -1.156 1.00 0.00 C ATOM 0 H LEU A 77 10.587 8.868 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 77 9.543 8.562 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.660 10.279 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.142 10.440 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 77 11.841 7.680 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.266 8.034 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.371 8.709 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.996 9.789 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.201 7.896 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.863 9.643 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.536 8.476 -0.647 1.00 0.00 H new ATOM 1038 N PHE A 78 8.598 11.005 -2.434 1.00 0.00 N ATOM 1039 CA PHE A 78 7.629 12.086 -2.373 1.00 0.00 C ATOM 1040 C PHE A 78 7.988 13.202 -3.355 1.00 0.00 C ATOM 1041 O PHE A 78 7.111 13.917 -3.837 1.00 0.00 O ATOM 1042 CB PHE A 78 7.670 12.645 -0.949 1.00 0.00 C ATOM 1043 CG PHE A 78 6.685 13.788 -0.700 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.940 15.027 -1.199 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.555 13.566 0.023 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.025 16.086 -0.968 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.639 14.626 0.256 1.00 0.00 C ATOM 1048 CZ PHE A 78 4.895 15.865 -0.246 1.00 0.00 C ATOM 0 H PHE A 78 9.085 10.819 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 78 6.639 11.712 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.459 11.838 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.680 12.997 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.839 15.205 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.354 12.582 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.227 17.069 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.741 14.449 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.200 16.673 -0.071 1.00 0.00 H new ATOM 1058 N ASP A 79 9.281 13.315 -3.625 1.00 0.00 N ATOM 1059 CA ASP A 79 9.767 14.332 -4.542 1.00 0.00 C ATOM 1060 C ASP A 79 9.509 13.879 -5.981 1.00 0.00 C ATOM 1061 O ASP A 79 8.808 14.556 -6.732 1.00 0.00 O ATOM 1062 CB ASP A 79 11.274 14.547 -4.376 1.00 0.00 C ATOM 1063 CG ASP A 79 11.761 15.964 -4.682 1.00 0.00 C ATOM 1064 OD1 ASP A 79 11.211 16.900 -4.062 1.00 0.00 O ATOM 1065 OD2 ASP A 79 12.673 16.080 -5.530 1.00 0.00 O ATOM 0 H ASP A 79 10.006 12.719 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 79 9.244 15.263 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.551 14.297 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.800 13.849 -5.028 1.00 0.00 H new ATOM 1071 N GLY A 80 10.092 12.738 -6.322 1.00 0.00 N ATOM 1072 CA GLY A 80 9.934 12.189 -7.657 1.00 0.00 C ATOM 1073 C GLY A 80 10.976 11.102 -7.930 1.00 0.00 C ATOM 1074 O GLY A 80 10.737 10.191 -8.722 1.00 0.00 O ATOM 0 H GLY A 80 10.674 12.180 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.932 11.773 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.032 12.985 -8.395 1.00 0.00 H new ATOM 1078 N THR A 81 12.111 11.235 -7.258 1.00 0.00 N ATOM 1079 CA THR A 81 13.191 10.276 -7.418 1.00 0.00 C ATOM 1080 C THR A 81 12.634 8.854 -7.505 1.00 0.00 C ATOM 1081 O THR A 81 11.822 8.450 -6.674 1.00 0.00 O ATOM 1082 CB THR A 81 14.173 10.473 -6.262 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.745 11.756 -6.507 1.00 0.00 O ATOM 1084 CG2 THR A 81 15.363 9.514 -6.334 1.00 0.00 C ATOM 0 H THR A 81 12.306 11.992 -6.602 1.00 0.00 H new ATOM 0 HA THR A 81 13.728 10.439 -8.352 1.00 0.00 H new ATOM 0 HB THR A 81 13.651 10.333 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.393 11.965 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.029 9.696 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.004 8.485 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.905 9.676 -7.266 1.00 0.00 H new ATOM 1092 N ARG A 82 13.090 8.135 -8.520 1.00 0.00 N ATOM 1093 CA ARG A 82 12.647 6.767 -8.727 1.00 0.00 C ATOM 1094 C ARG A 82 13.319 5.833 -7.719 1.00 0.00 C ATOM 1095 O ARG A 82 14.221 5.074 -8.075 1.00 0.00 O ATOM 1096 CB ARG A 82 12.968 6.292 -10.146 1.00 0.00 C ATOM 1097 CG ARG A 82 14.474 6.346 -10.415 1.00 0.00 C ATOM 1098 CD ARG A 82 14.766 6.989 -11.771 1.00 0.00 C ATOM 1099 NE ARG A 82 15.517 6.044 -12.629 1.00 0.00 N ATOM 1100 CZ ARG A 82 15.958 6.335 -13.859 1.00 0.00 C ATOM 1101 NH1 ARG A 82 15.729 7.546 -14.385 1.00 0.00 N ATOM 1102 NH2 ARG A 82 16.630 5.415 -14.564 1.00 0.00 N ATOM 0 H ARG A 82 13.762 8.474 -9.208 1.00 0.00 H new ATOM 0 HA ARG A 82 11.567 6.744 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.607 5.273 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.443 6.916 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.968 6.913 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.888 5.338 -10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.832 7.271 -12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.342 7.904 -11.632 1.00 0.00 H new ATOM 0 HE ARG A 82 15.710 5.113 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.218 8.247 -13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.065 7.767 -15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.805 4.493 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.966 5.636 -15.501 1.00 0.00 H new ATOM 1116 N TRP A 83 12.856 5.918 -6.480 1.00 0.00 N ATOM 1117 CA TRP A 83 13.403 5.090 -5.420 1.00 0.00 C ATOM 1118 C TRP A 83 12.315 4.109 -4.978 1.00 0.00 C ATOM 1119 O TRP A 83 12.322 2.946 -5.385 1.00 0.00 O ATOM 1120 CB TRP A 83 13.932 5.949 -4.271 1.00 0.00 C ATOM 1121 CG TRP A 83 14.625 5.152 -3.164 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.180 4.059 -2.532 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.917 5.432 -2.582 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.084 3.615 -1.588 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.175 4.476 -1.621 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.836 6.459 -2.860 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.348 4.454 -0.860 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.006 6.420 -2.090 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.280 5.467 -1.117 1.00 0.00 C ATOM 0 H TRP A 83 12.109 6.547 -6.187 1.00 0.00 H new ATOM 0 HA TRP A 83 14.261 4.522 -5.779 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.634 6.680 -4.672 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.103 6.508 -3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.232 3.584 -2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.972 2.805 -0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.655 7.217 -3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.526 3.695 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.748 7.185 -2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.206 5.507 -0.562 1.00 0.00 H new ATOM 1140 N GLY A 84 11.407 4.611 -4.156 1.00 0.00 N ATOM 1141 CA GLY A 84 10.315 3.791 -3.655 1.00 0.00 C ATOM 1142 C GLY A 84 10.845 2.539 -2.957 1.00 0.00 C ATOM 1143 O GLY A 84 11.714 1.848 -3.486 1.00 0.00 O ATOM 0 H GLY A 84 11.404 5.575 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.710 4.371 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.663 3.503 -4.480 1.00 0.00 H new ATOM 1147 N THR A 85 10.299 2.282 -1.777 1.00 0.00 N ATOM 1148 CA THR A 85 10.705 1.124 -0.999 1.00 0.00 C ATOM 1149 C THR A 85 11.975 0.504 -1.588 1.00 0.00 C ATOM 1150 O THR A 85 13.077 0.765 -1.108 1.00 0.00 O ATOM 1151 CB THR A 85 9.526 0.153 -0.945 1.00 0.00 C ATOM 1152 OG1 THR A 85 8.611 0.768 -0.040 1.00 0.00 O ATOM 1153 CG2 THR A 85 9.886 -1.169 -0.266 1.00 0.00 C ATOM 0 H THR A 85 9.578 2.857 -1.341 1.00 0.00 H new ATOM 0 HA THR A 85 10.961 1.405 0.023 1.00 0.00 H new ATOM 0 HB THR A 85 9.172 -0.043 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.986 0.095 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.013 -1.822 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.693 -1.653 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.209 -0.976 0.757 1.00 0.00 H new ATOM 1161 N VAL A 86 11.776 -0.302 -2.620 1.00 0.00 N ATOM 1162 CA VAL A 86 12.892 -0.960 -3.279 1.00 0.00 C ATOM 1163 C VAL A 86 13.211 -2.267 -2.549 1.00 0.00 C ATOM 1164 O VAL A 86 13.462 -3.290 -3.185 1.00 0.00 O ATOM 1165 CB VAL A 86 14.089 -0.009 -3.357 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.173 -0.411 -2.355 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.650 0.049 -4.779 1.00 0.00 C ATOM 0 H VAL A 86 10.860 -0.514 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 86 12.632 -1.217 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 86 13.743 0.990 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.012 0.280 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.765 -0.378 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.515 -1.422 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.499 0.731 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.974 -0.946 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.877 0.403 -5.461 1.00 0.00 H new ATOM 1177 N ASP A 87 13.191 -2.189 -1.227 1.00 0.00 N ATOM 1178 CA ASP A 87 13.476 -3.353 -0.405 1.00 0.00 C ATOM 1179 C ASP A 87 12.781 -3.198 0.948 1.00 0.00 C ATOM 1180 O ASP A 87 13.344 -2.624 1.878 1.00 0.00 O ATOM 1181 CB ASP A 87 14.977 -3.493 -0.152 1.00 0.00 C ATOM 1182 CG ASP A 87 15.468 -4.929 0.050 1.00 0.00 C ATOM 1183 OD1 ASP A 87 16.634 -5.189 -0.325 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.668 -5.734 0.572 1.00 0.00 O ATOM 0 H ASP A 87 12.982 -1.338 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 87 13.115 -4.236 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.514 -3.056 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.238 -2.908 0.730 1.00 0.00 H new ATOM 1190 N CYS A 88 11.564 -3.718 1.017 1.00 0.00 N ATOM 1191 CA CYS A 88 10.786 -3.645 2.240 1.00 0.00 C ATOM 1192 C CYS A 88 11.265 -4.753 3.181 1.00 0.00 C ATOM 1193 O CYS A 88 10.464 -5.550 3.667 1.00 0.00 O ATOM 1194 CB CYS A 88 9.284 -3.744 1.963 1.00 0.00 C ATOM 1195 SG CYS A 88 8.317 -2.268 2.448 1.00 0.00 S ATOM 0 H CYS A 88 11.098 -4.192 0.244 1.00 0.00 H new ATOM 0 HA CYS A 88 10.939 -2.675 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.136 -3.925 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 88 8.887 -4.611 2.491 1.00 0.00 H new ATOM 1200 N THR A 89 12.570 -4.766 3.412 1.00 0.00 N ATOM 1201 CA THR A 89 13.166 -5.762 4.287 1.00 0.00 C ATOM 1202 C THR A 89 13.250 -5.231 5.718 1.00 0.00 C ATOM 1203 O THR A 89 13.625 -5.962 6.634 1.00 0.00 O ATOM 1204 CB THR A 89 14.525 -6.151 3.701 1.00 0.00 C ATOM 1205 OG1 THR A 89 14.962 -7.229 4.527 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.585 -5.069 3.911 1.00 0.00 C ATOM 0 H THR A 89 13.231 -4.103 3.008 1.00 0.00 H new ATOM 0 HA THR A 89 12.551 -6.660 4.343 1.00 0.00 H new ATOM 0 HB THR A 89 14.417 -6.351 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.719 -7.046 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.530 -5.396 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.264 -4.146 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.718 -4.893 4.978 1.00 0.00 H new ATOM 1214 N THR A 90 12.896 -3.963 5.868 1.00 0.00 N ATOM 1215 CA THR A 90 12.928 -3.325 7.173 1.00 0.00 C ATOM 1216 C THR A 90 11.777 -2.328 7.308 1.00 0.00 C ATOM 1217 O THR A 90 11.083 -2.306 8.323 1.00 0.00 O ATOM 1218 CB THR A 90 14.307 -2.690 7.356 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.157 -3.789 7.669 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.381 -1.798 8.597 1.00 0.00 C ATOM 0 H THR A 90 12.585 -3.360 5.106 1.00 0.00 H new ATOM 0 HA THR A 90 12.781 -4.052 7.972 1.00 0.00 H new ATOM 0 HB THR A 90 14.556 -2.104 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.695 -4.629 7.465 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.381 -1.372 8.680 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.650 -0.994 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.165 -2.392 9.485 1.00 0.00 H new ATOM 1228 N ALA A 91 11.607 -1.524 6.267 1.00 0.00 N ATOM 1229 CA ALA A 91 10.552 -0.525 6.256 1.00 0.00 C ATOM 1230 C ALA A 91 9.203 -1.218 6.048 1.00 0.00 C ATOM 1231 O ALA A 91 9.075 -2.091 5.191 1.00 0.00 O ATOM 1232 CB ALA A 91 10.846 0.516 5.174 1.00 0.00 C ATOM 0 H ALA A 91 12.183 -1.545 5.425 1.00 0.00 H new ATOM 0 HA ALA A 91 10.510 0.000 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.055 1.266 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.801 0.999 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.892 0.027 4.201 1.00 0.00 H new ATOM 1238 N ALA A 92 8.230 -0.802 6.845 1.00 0.00 N ATOM 1239 CA ALA A 92 6.896 -1.372 6.760 1.00 0.00 C ATOM 1240 C ALA A 92 6.140 -0.715 5.603 1.00 0.00 C ATOM 1241 O ALA A 92 6.045 0.510 5.535 1.00 0.00 O ATOM 1242 CB ALA A 92 6.178 -1.197 8.099 1.00 0.00 C ATOM 0 H ALA A 92 8.339 -0.076 7.553 1.00 0.00 H new ATOM 0 HA ALA A 92 6.948 -2.442 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.178 -1.625 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.740 -1.705 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.104 -0.136 8.336 1.00 0.00 H new ATOM 1248 N CYS A 93 5.621 -1.558 4.723 1.00 0.00 N ATOM 1249 CA CYS A 93 4.875 -1.075 3.573 1.00 0.00 C ATOM 1250 C CYS A 93 3.398 -0.988 3.961 1.00 0.00 C ATOM 1251 O CYS A 93 2.805 -1.975 4.388 1.00 0.00 O ATOM 1252 CB CYS A 93 5.091 -1.962 2.346 1.00 0.00 C ATOM 1253 SG CYS A 93 6.444 -3.184 2.511 1.00 0.00 S ATOM 0 H CYS A 93 5.702 -2.573 4.783 1.00 0.00 H new ATOM 0 HA CYS A 93 5.235 -0.085 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.164 -2.494 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.299 -1.325 1.486 1.00 0.00 H new ATOM 1258 N GLN A 94 2.847 0.206 3.797 1.00 0.00 N ATOM 1259 CA GLN A 94 1.450 0.437 4.125 1.00 0.00 C ATOM 1260 C GLN A 94 0.577 0.266 2.878 1.00 0.00 C ATOM 1261 O GLN A 94 0.533 1.149 2.023 1.00 0.00 O ATOM 1262 CB GLN A 94 1.252 1.820 4.746 1.00 0.00 C ATOM 1263 CG GLN A 94 1.868 1.884 6.147 1.00 0.00 C ATOM 1264 CD GLN A 94 2.232 3.323 6.520 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.421 4.083 7.023 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.490 3.651 6.247 1.00 0.00 N ATOM 0 H GLN A 94 3.343 1.024 3.441 1.00 0.00 H new ATOM 0 HA GLN A 94 1.144 -0.303 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.708 2.578 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.188 2.049 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.165 1.482 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.759 1.258 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.116 2.965 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.830 4.589 6.459 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.093 -0.873 2.815 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.962 -1.171 1.687 1.00 0.00 C ATOM 1277 C VAL A 95 -2.355 -0.604 1.962 1.00 0.00 C ATOM 1278 O VAL A 95 -3.041 -1.052 2.880 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.970 -2.676 1.417 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.332 -2.968 -0.041 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.375 -3.306 1.782 1.00 0.00 C ATOM 0 H VAL A 95 -0.053 -1.603 3.527 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.590 -0.695 0.780 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.734 -3.126 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.331 -4.045 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.323 -2.569 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.600 -2.498 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.342 -4.377 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.165 -2.849 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.578 -3.142 2.840 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.734 0.369 1.148 1.00 0.00 N ATOM 1292 CA GLY A 96 -4.035 1.001 1.290 1.00 0.00 C ATOM 1293 C GLY A 96 -4.379 1.835 0.053 1.00 0.00 C ATOM 1294 O GLY A 96 -3.535 2.034 -0.820 1.00 0.00 O ATOM 0 H GLY A 96 -2.163 0.736 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.799 0.238 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.039 1.638 2.175 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.620 2.298 0.019 1.00 0.00 N ATOM 1299 CA LEU A 97 -6.085 3.105 -1.096 1.00 0.00 C ATOM 1300 C LEU A 97 -6.016 4.585 -0.714 1.00 0.00 C ATOM 1301 O LEU A 97 -6.642 5.009 0.257 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.475 2.650 -1.543 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.464 2.317 -0.423 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.909 2.442 -0.912 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.177 0.938 0.170 1.00 0.00 C ATOM 0 H LEU A 97 -6.317 2.130 0.745 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.436 2.969 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.910 3.433 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.362 1.769 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.331 3.045 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.591 2.200 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.092 3.463 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.074 1.752 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.894 0.727 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.265 0.181 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.167 0.921 0.580 1.00 0.00 H new ATOM 1317 N SER A 98 -5.249 5.331 -1.495 1.00 0.00 N ATOM 1318 CA SER A 98 -5.090 6.754 -1.250 1.00 0.00 C ATOM 1319 C SER A 98 -5.859 7.557 -2.303 1.00 0.00 C ATOM 1320 O SER A 98 -6.346 6.994 -3.283 1.00 0.00 O ATOM 1321 CB SER A 98 -3.612 7.153 -1.255 1.00 0.00 C ATOM 1322 OG SER A 98 -2.988 6.905 0.001 1.00 0.00 O ATOM 0 H SER A 98 -4.730 4.976 -2.299 1.00 0.00 H new ATOM 0 HA SER A 98 -5.496 6.977 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.090 6.599 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.523 8.211 -1.501 1.00 0.00 H new ATOM 0 HG SER A 98 -3.268 7.588 0.646 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.944 8.856 -2.063 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.647 9.741 -2.978 1.00 0.00 C ATOM 1330 C ASP A 99 -6.120 9.520 -4.398 1.00 0.00 C ATOM 1331 O ASP A 99 -5.066 8.915 -4.586 1.00 0.00 O ATOM 1332 CB ASP A 99 -6.417 11.208 -2.611 1.00 0.00 C ATOM 1333 CG ASP A 99 -6.419 11.506 -1.109 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.169 12.681 -0.764 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.672 10.554 -0.342 1.00 0.00 O ATOM 0 H ASP A 99 -5.538 9.318 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.712 9.517 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.462 11.526 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.190 11.812 -3.087 1.00 0.00 H new ATOM 1341 N ALA A 100 -6.879 10.025 -5.360 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.502 9.892 -6.757 1.00 0.00 C ATOM 1343 C ALA A 100 -5.076 10.417 -6.949 1.00 0.00 C ATOM 1344 O ALA A 100 -4.348 9.941 -7.817 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.518 10.627 -7.633 1.00 0.00 C ATOM 0 H ALA A 100 -7.753 10.527 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.510 8.845 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.235 10.527 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.508 10.196 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.536 11.682 -7.361 1.00 0.00 H new ATOM 1351 N ALA A 101 -4.725 11.393 -6.127 1.00 0.00 N ATOM 1352 CA ALA A 101 -3.401 11.990 -6.195 1.00 0.00 C ATOM 1353 C ALA A 101 -2.437 11.177 -5.328 1.00 0.00 C ATOM 1354 O ALA A 101 -1.312 11.606 -5.077 1.00 0.00 O ATOM 1355 CB ALA A 101 -3.478 13.455 -5.763 1.00 0.00 C ATOM 0 H ALA A 101 -5.334 11.787 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.023 11.972 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.485 13.902 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.154 13.995 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.850 13.514 -4.740 1.00 0.00 H new ATOM 1361 N GLY A 102 -2.910 10.017 -4.899 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.104 9.139 -4.068 1.00 0.00 C ATOM 1363 C GLY A 102 -1.832 9.775 -2.703 1.00 0.00 C ATOM 1364 O GLY A 102 -0.774 9.565 -2.115 1.00 0.00 O ATOM 0 H GLY A 102 -3.843 9.664 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.617 8.187 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.160 8.925 -4.568 1.00 0.00 H new ATOM 1368 N ASN A 103 -2.810 10.539 -2.237 1.00 0.00 N ATOM 1369 CA ASN A 103 -2.691 11.207 -0.952 1.00 0.00 C ATOM 1370 C ASN A 103 -3.514 10.448 0.090 1.00 0.00 C ATOM 1371 O ASN A 103 -4.454 9.731 -0.257 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.222 12.639 -1.025 1.00 0.00 C ATOM 1373 CG ASN A 103 -2.192 13.575 -1.659 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -1.010 13.531 -1.363 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -2.705 14.423 -2.546 1.00 0.00 N ATOM 0 H ASN A 103 -3.688 10.710 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.636 11.228 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.144 12.659 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.469 12.990 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.099 15.089 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.705 14.407 -2.748 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.136 10.630 1.346 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.829 9.973 2.441 1.00 0.00 C ATOM 1384 C GLY A 104 -3.036 8.765 2.943 1.00 0.00 C ATOM 1385 O GLY A 104 -2.754 7.844 2.180 1.00 0.00 O ATOM 0 H GLY A 104 -2.357 11.224 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.979 10.679 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.817 9.653 2.111 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.691 8.811 4.258 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.937 7.731 4.871 1.00 0.00 C ATOM 1391 C PRO A 105 -2.825 6.508 5.111 1.00 0.00 C ATOM 1392 O PRO A 105 -2.846 5.957 6.211 1.00 0.00 O ATOM 1393 CB PRO A 105 -1.380 8.321 6.155 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.218 9.555 6.447 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.009 9.887 5.192 1.00 0.00 C ATOM 0 HA PRO A 105 -1.132 7.365 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.443 7.604 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.328 8.582 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.890 9.371 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.580 10.392 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.079 9.930 5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.723 10.859 4.789 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.540 6.122 4.063 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.427 4.975 4.148 1.00 0.00 C ATOM 1405 C GLU A 106 -3.691 3.700 3.729 1.00 0.00 C ATOM 1406 O GLU A 106 -3.188 3.608 2.610 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.679 5.188 3.294 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.926 5.312 4.173 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.226 6.777 4.496 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.982 7.389 3.711 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -6.693 7.251 5.521 1.00 0.00 O ATOM 0 H GLU A 106 -3.523 6.583 3.153 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.745 4.863 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.564 6.088 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.798 4.354 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.780 4.866 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.780 4.754 5.098 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.648 2.749 4.651 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.982 1.484 4.392 1.00 0.00 C ATOM 1421 C GLY A 107 -2.437 0.877 5.685 1.00 0.00 C ATOM 1422 O GLY A 107 -2.163 1.596 6.645 1.00 0.00 O ATOM 0 H GLY A 107 -4.064 2.830 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.681 0.789 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.166 1.636 3.685 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.294 -0.440 5.669 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.786 -1.152 6.830 1.00 0.00 C ATOM 1428 C VAL A 108 -0.350 -1.601 6.557 1.00 0.00 C ATOM 1429 O VAL A 108 -0.030 -2.038 5.452 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.719 -2.313 7.179 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.438 -3.529 6.294 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.607 -2.677 8.662 1.00 0.00 C ATOM 0 H VAL A 108 -2.521 -1.033 4.871 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.762 -0.497 7.701 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.742 -1.990 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.115 -4.339 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.591 -3.261 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.408 -3.854 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.280 -3.505 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.582 -2.971 8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.879 -1.814 9.270 1.00 0.00 H new ATOM 1442 N ALA A 109 0.479 -1.480 7.585 1.00 0.00 N ATOM 1443 CA ALA A 109 1.875 -1.867 7.470 1.00 0.00 C ATOM 1444 C ALA A 109 1.977 -3.394 7.475 1.00 0.00 C ATOM 1445 O ALA A 109 2.103 -4.008 8.534 1.00 0.00 O ATOM 1446 CB ALA A 109 2.678 -1.227 8.603 1.00 0.00 C ATOM 0 H ALA A 109 0.210 -1.120 8.501 1.00 0.00 H new ATOM 0 HA ALA A 109 2.296 -1.510 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.725 -1.518 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.596 -0.142 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.286 -1.565 9.562 1.00 0.00 H new ATOM 1452 N ILE A 110 1.920 -3.964 6.281 1.00 0.00 N ATOM 1453 CA ILE A 110 2.005 -5.407 6.134 1.00 0.00 C ATOM 1454 C ILE A 110 3.470 -5.814 5.964 1.00 0.00 C ATOM 1455 O ILE A 110 4.284 -5.024 5.486 1.00 0.00 O ATOM 1456 CB ILE A 110 1.099 -5.885 4.999 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.396 -7.193 5.369 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.879 -6.005 3.688 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.572 -6.982 6.535 1.00 0.00 C ATOM 0 H ILE A 110 1.816 -3.452 5.405 1.00 0.00 H new ATOM 0 HA ILE A 110 1.639 -5.902 7.033 1.00 0.00 H new ATOM 0 HB ILE A 110 0.323 -5.136 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.147 -7.576 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.137 -7.945 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.211 -6.347 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.291 -5.032 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.691 -6.722 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.059 -7.926 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.022 -6.622 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.326 -6.247 6.253 1.00 0.00 H new ATOM 1471 N SER A 111 3.761 -7.043 6.363 1.00 0.00 N ATOM 1472 CA SER A 111 5.114 -7.562 6.260 1.00 0.00 C ATOM 1473 C SER A 111 5.292 -8.750 7.206 1.00 0.00 C ATOM 1474 O SER A 111 5.677 -9.837 6.780 1.00 0.00 O ATOM 1475 CB SER A 111 6.145 -6.477 6.569 1.00 0.00 C ATOM 1476 OG SER A 111 6.549 -5.771 5.400 1.00 0.00 O ATOM 0 H SER A 111 3.083 -7.695 6.758 1.00 0.00 H new ATOM 0 HA SER A 111 5.275 -7.896 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.726 -5.774 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.018 -6.931 7.038 1.00 0.00 H new ATOM 0 HG SER A 111 5.914 -5.047 5.219 1.00 0.00 H new ATOM 1482 N PHE A 112 5.002 -8.503 8.475 1.00 0.00 N ATOM 1483 CA PHE A 112 5.125 -9.538 9.489 1.00 0.00 C ATOM 1484 C PHE A 112 4.086 -9.350 10.595 1.00 0.00 C ATOM 1485 O PHE A 112 4.085 -8.331 11.283 1.00 0.00 O ATOM 1486 CB PHE A 112 6.525 -9.410 10.091 1.00 0.00 C ATOM 1487 CG PHE A 112 6.536 -9.306 11.617 1.00 0.00 C ATOM 1488 CD1 PHE A 112 6.194 -10.384 12.375 1.00 0.00 C ATOM 1489 CD2 PHE A 112 6.889 -8.137 12.218 1.00 0.00 C ATOM 1490 CE1 PHE A 112 6.205 -10.287 13.792 1.00 0.00 C ATOM 1491 CE2 PHE A 112 6.900 -8.041 13.634 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.557 -9.119 14.392 1.00 0.00 C ATOM 0 H PHE A 112 4.682 -7.600 8.825 1.00 0.00 H new ATOM 0 HA PHE A 112 4.963 -10.518 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.119 -10.273 9.791 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.010 -8.528 9.673 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.915 -11.312 11.899 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.161 -7.282 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.933 -11.142 14.393 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.180 -7.113 14.110 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.565 -9.046 15.470 1.00 0.00 H new ATOM 1502 N ASN A 113 3.225 -10.349 10.731 1.00 0.00 N ATOM 1503 CA ASN A 113 2.183 -10.306 11.744 1.00 0.00 C ATOM 1504 C ASN A 113 2.790 -9.867 13.077 1.00 0.00 C ATOM 1505 O ASN A 113 3.172 -10.701 13.895 1.00 0.00 O ATOM 1506 CB ASN A 113 1.553 -11.685 11.942 1.00 0.00 C ATOM 1507 CG ASN A 113 0.134 -11.564 12.503 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -0.850 -11.816 11.830 1.00 0.00 O ATOM 1509 ND2 ASN A 113 0.087 -11.165 13.771 1.00 0.00 N ATOM 0 H ASN A 113 3.228 -11.192 10.157 1.00 0.00 H new ATOM 0 HA ASN A 113 1.418 -9.604 11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.528 -12.217 10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.168 -12.275 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.813 -11.053 14.238 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.951 -10.971 14.277 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.963 6.822 1.201 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.608 6.569 -0.129 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.266 5.494 -0.402 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.637 5.185 -1.705 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.111 5.919 -2.750 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.766 6.992 -2.506 1.00 0.00 C HETATM 1523 C10 NCZ A 130 1.111 7.368 -1.178 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.617 8.698 -0.925 1.00 0.00 C HETATM 1525 O3 NCZ A 130 2.209 9.311 -1.812 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.512 9.390 0.367 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.913 10.799 0.442 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.828 11.340 1.873 1.00 0.00 C HETATM 1529 C14 NCZ A 130 0.658 11.972 2.035 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.073 12.179 0.759 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.901 11.669 -0.319 1.00 0.00 C HETATM 1532 O6 NCZ A 130 1.529 12.823 -0.945 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.895 12.264 2.106 1.00 0.00 O HETATM 1534 O2 NCZ A 130 1.245 7.687 -3.628 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.760 4.761 0.649 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.393 5.055 1.954 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.474 6.081 2.242 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.820 6.323 3.564 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.347 7.564 4.069 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.723 3.632 0.452 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.628 4.005 -0.028 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.266 2.870 -0.179 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.977 3.198 1.419 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.283 7.796 3.561 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.629 8.364 3.889 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.529 7.473 5.140 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.378 5.664 -3.776 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.336 4.372 -1.900 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.837 13.419 -1.300 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.835 12.608 3.022 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.802 4.458 2.770 1.00 0.00 H new HETATM 0 H2 NCZ A 130 2.204 7.858 -3.522 1.00 0.00 H new HETATM 0 H16 NCZ A 130 0.427 11.091 -1.112 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.070 12.596 0.618 1.00 0.00 H new HETATM 0 H14 NCZ A 130 0.281 12.300 3.004 1.00 0.00 H new HETATM 0 H13 NCZ A 130 1.906 10.512 2.577 1.00 0.00 H new HETATM 0 H12 NCZ A 130 2.927 10.841 0.044 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.653 7.638 1.415 1.00 0.00 H new