USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 882 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 36 HIS : no HE2:sc= -2.79! K(o=-3.3!,f=-4.1) USER MOD Set 1.2: A 86 THR OG1 : rot -170:sc= -0.467 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 8 SER OG : rot 180:sc= -0.164 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 0.682 (180deg=0.433) USER MOD Single : A 15 ASN : amide:sc= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0326) USER MOD Single : A 17 ASN : amide:sc= -0.421 K(o=-0.42,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.0814 (180deg=-0.784) USER MOD Single : A 21 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 37:sc= 1.26 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0.163 (180deg=0.0901) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-2.9!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.894 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0985 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.598 -37.555 -47.678 1.00 0.00 N ATOM 2 CA MET A 1 16.212 -37.379 -46.249 1.00 0.00 C ATOM 3 C MET A 1 14.936 -38.174 -45.965 1.00 0.00 C ATOM 4 O MET A 1 13.886 -37.614 -45.721 1.00 0.00 O ATOM 5 CB MET A 1 15.962 -35.896 -45.967 1.00 0.00 C ATOM 6 CG MET A 1 16.652 -35.501 -44.661 1.00 0.00 C ATOM 7 SD MET A 1 15.445 -34.743 -43.545 1.00 0.00 S ATOM 8 CE MET A 1 16.564 -34.472 -42.148 1.00 0.00 C ATOM 0 H1 MET A 1 17.465 -37.015 -47.872 1.00 0.00 H new ATOM 0 H2 MET A 1 16.767 -38.563 -47.870 1.00 0.00 H new ATOM 0 H3 MET A 1 15.831 -37.210 -48.290 1.00 0.00 H new ATOM 0 HA MET A 1 17.016 -37.740 -45.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.342 -35.290 -46.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.891 -35.704 -45.897 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.096 -36.379 -44.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.464 -34.803 -44.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.017 -34.003 -41.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.968 -35.428 -41.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.382 -33.821 -42.458 1.00 0.00 H new ATOM 20 N THR A 2 15.018 -39.477 -45.994 1.00 0.00 N ATOM 21 CA THR A 2 13.809 -40.305 -45.723 1.00 0.00 C ATOM 22 C THR A 2 13.722 -40.610 -44.227 1.00 0.00 C ATOM 23 O THR A 2 14.723 -40.781 -43.560 1.00 0.00 O ATOM 24 CB THR A 2 13.902 -41.617 -46.508 1.00 0.00 C ATOM 25 OG1 THR A 2 12.745 -42.401 -46.253 1.00 0.00 O ATOM 26 CG2 THR A 2 15.150 -42.387 -46.072 1.00 0.00 C ATOM 0 H THR A 2 15.869 -40.003 -46.193 1.00 0.00 H new ATOM 0 HA THR A 2 12.918 -39.758 -46.033 1.00 0.00 H new ATOM 0 HB THR A 2 13.967 -41.400 -47.574 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.801 -43.240 -46.756 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.215 -43.320 -46.631 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.037 -41.784 -46.268 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.088 -42.606 -45.006 1.00 0.00 H new ATOM 34 N VAL A 3 12.532 -40.679 -43.694 1.00 0.00 N ATOM 35 CA VAL A 3 12.381 -40.971 -42.241 1.00 0.00 C ATOM 36 C VAL A 3 11.207 -41.931 -42.033 1.00 0.00 C ATOM 37 O VAL A 3 10.292 -41.986 -42.830 1.00 0.00 O ATOM 38 CB VAL A 3 12.113 -39.668 -41.485 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.955 -38.920 -42.149 1.00 0.00 C ATOM 40 CG2 VAL A 3 11.746 -39.986 -40.033 1.00 0.00 C ATOM 0 H VAL A 3 11.658 -40.546 -44.203 1.00 0.00 H new ATOM 0 HA VAL A 3 13.296 -41.429 -41.865 1.00 0.00 H new ATOM 0 HB VAL A 3 13.008 -39.046 -41.507 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.765 -37.992 -41.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.214 -38.692 -43.183 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.060 -39.542 -42.128 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.555 -39.058 -39.494 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.851 -40.608 -40.012 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.570 -40.518 -39.558 1.00 0.00 H new ATOM 50 N ILE A 4 11.224 -42.686 -40.969 1.00 0.00 N ATOM 51 CA ILE A 4 10.107 -43.638 -40.715 1.00 0.00 C ATOM 52 C ILE A 4 9.802 -43.681 -39.216 1.00 0.00 C ATOM 53 O ILE A 4 10.536 -44.259 -38.440 1.00 0.00 O ATOM 54 CB ILE A 4 10.506 -45.034 -41.198 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.937 -45.340 -40.747 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.431 -45.085 -42.724 1.00 0.00 C ATOM 57 CD1 ILE A 4 12.025 -46.795 -40.283 1.00 0.00 C ATOM 0 H ILE A 4 11.962 -42.685 -40.265 1.00 0.00 H new ATOM 0 HA ILE A 4 9.219 -43.308 -41.255 1.00 0.00 H new ATOM 0 HB ILE A 4 9.826 -45.774 -40.775 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.633 -45.166 -41.567 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.225 -44.671 -39.937 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.715 -46.079 -43.069 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.413 -44.866 -43.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.112 -44.346 -43.147 1.00 0.00 H new ATOM 0 HD11 ILE A 4 13.043 -47.014 -39.962 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.340 -46.953 -39.450 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.754 -47.456 -41.106 1.00 0.00 H new ATOM 69 N LYS A 5 8.723 -43.072 -38.804 1.00 0.00 N ATOM 70 CA LYS A 5 8.369 -43.075 -37.356 1.00 0.00 C ATOM 71 C LYS A 5 9.441 -42.319 -36.566 1.00 0.00 C ATOM 72 O LYS A 5 10.344 -42.919 -36.017 1.00 0.00 O ATOM 73 CB LYS A 5 8.289 -44.519 -36.853 1.00 0.00 C ATOM 74 CG LYS A 5 7.544 -44.552 -35.517 1.00 0.00 C ATOM 75 CD LYS A 5 6.783 -45.873 -35.388 1.00 0.00 C ATOM 76 CE LYS A 5 6.181 -45.981 -33.986 1.00 0.00 C ATOM 77 NZ LYS A 5 6.665 -47.230 -33.333 1.00 0.00 N ATOM 0 H LYS A 5 8.071 -42.572 -39.408 1.00 0.00 H new ATOM 0 HA LYS A 5 7.404 -42.587 -37.218 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.774 -45.142 -37.584 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.291 -44.930 -36.733 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.249 -44.445 -34.693 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.851 -43.713 -35.455 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.995 -45.925 -36.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.455 -46.711 -35.572 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.463 -45.113 -33.390 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.093 -45.987 -34.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.256 -47.304 -32.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.375 -48.053 -33.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.702 -47.206 -33.264 1.00 0.00 H new ATOM 91 N PRO A 6 9.308 -41.018 -36.535 1.00 0.00 N ATOM 92 CA PRO A 6 10.250 -40.138 -35.821 1.00 0.00 C ATOM 93 C PRO A 6 9.974 -40.169 -34.314 1.00 0.00 C ATOM 94 O PRO A 6 8.906 -39.806 -33.862 1.00 0.00 O ATOM 95 CB PRO A 6 9.958 -38.753 -36.402 1.00 0.00 C ATOM 96 CG PRO A 6 8.522 -38.813 -36.974 1.00 0.00 C ATOM 97 CD PRO A 6 8.204 -40.301 -37.209 1.00 0.00 C ATOM 0 HA PRO A 6 11.292 -40.435 -35.944 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.038 -37.985 -35.633 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.676 -38.500 -37.182 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.809 -38.370 -36.279 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.452 -38.250 -37.905 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.236 -40.573 -36.787 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.166 -40.537 -38.272 1.00 0.00 H new ATOM 105 N SER A 7 10.929 -40.598 -33.536 1.00 0.00 N ATOM 106 CA SER A 7 10.721 -40.650 -32.061 1.00 0.00 C ATOM 107 C SER A 7 10.246 -39.284 -31.564 1.00 0.00 C ATOM 108 O SER A 7 10.117 -38.346 -32.326 1.00 0.00 O ATOM 109 CB SER A 7 12.038 -41.014 -31.374 1.00 0.00 C ATOM 110 OG SER A 7 12.829 -41.797 -32.258 1.00 0.00 O ATOM 0 H SER A 7 11.844 -40.915 -33.857 1.00 0.00 H new ATOM 0 HA SER A 7 9.968 -41.403 -31.826 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.576 -40.109 -31.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.842 -41.568 -30.456 1.00 0.00 H new ATOM 0 HG SER A 7 13.674 -42.030 -31.821 1.00 0.00 H new ATOM 116 N SER A 8 9.985 -39.163 -30.291 1.00 0.00 N ATOM 117 CA SER A 8 9.518 -37.855 -29.748 1.00 0.00 C ATOM 118 C SER A 8 9.029 -38.044 -28.311 1.00 0.00 C ATOM 119 O SER A 8 8.501 -39.079 -27.956 1.00 0.00 O ATOM 120 CB SER A 8 8.371 -37.325 -30.610 1.00 0.00 C ATOM 121 OG SER A 8 7.548 -38.412 -31.014 1.00 0.00 O ATOM 0 H SER A 8 10.075 -39.912 -29.604 1.00 0.00 H new ATOM 0 HA SER A 8 10.342 -37.142 -29.761 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.784 -36.598 -30.048 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.766 -36.808 -31.484 1.00 0.00 H new ATOM 0 HG SER A 8 6.811 -38.077 -31.566 1.00 0.00 H new ATOM 127 N ARG A 9 9.201 -37.052 -27.480 1.00 0.00 N ATOM 128 CA ARG A 9 8.747 -37.177 -26.067 1.00 0.00 C ATOM 129 C ARG A 9 7.316 -37.725 -26.039 1.00 0.00 C ATOM 130 O ARG A 9 6.528 -37.441 -26.918 1.00 0.00 O ATOM 131 CB ARG A 9 8.782 -35.802 -25.397 1.00 0.00 C ATOM 132 CG ARG A 9 10.085 -35.655 -24.607 1.00 0.00 C ATOM 133 CD ARG A 9 10.788 -34.359 -25.017 1.00 0.00 C ATOM 134 NE ARG A 9 10.898 -33.459 -23.835 1.00 0.00 N ATOM 135 CZ ARG A 9 12.072 -33.156 -23.353 1.00 0.00 C ATOM 136 NH1 ARG A 9 12.980 -32.627 -24.128 1.00 0.00 N ATOM 137 NH2 ARG A 9 12.340 -33.383 -22.095 1.00 0.00 N ATOM 0 H ARG A 9 9.636 -36.161 -27.719 1.00 0.00 H new ATOM 0 HA ARG A 9 9.407 -37.858 -25.530 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.709 -35.017 -26.149 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.926 -35.687 -24.732 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.875 -35.644 -23.537 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.735 -36.509 -24.796 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.779 -34.580 -25.413 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.230 -33.866 -25.813 1.00 0.00 H new ATOM 0 HE ARG A 9 10.056 -33.080 -23.403 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.772 -32.450 -25.111 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.898 -32.390 -23.751 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.631 -33.797 -21.489 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.258 -33.146 -21.718 1.00 0.00 H new ATOM 151 N PRO A 10 7.026 -38.500 -25.023 1.00 0.00 N ATOM 152 CA PRO A 10 5.698 -39.114 -24.846 1.00 0.00 C ATOM 153 C PRO A 10 4.701 -38.090 -24.291 1.00 0.00 C ATOM 154 O PRO A 10 4.817 -37.642 -23.167 1.00 0.00 O ATOM 155 CB PRO A 10 5.954 -40.232 -23.831 1.00 0.00 C ATOM 156 CG PRO A 10 7.244 -39.844 -23.070 1.00 0.00 C ATOM 157 CD PRO A 10 7.996 -38.838 -23.960 1.00 0.00 C ATOM 0 HA PRO A 10 5.267 -39.479 -25.778 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.114 -40.333 -23.144 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.073 -41.192 -24.333 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.005 -39.402 -22.103 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.858 -40.723 -22.875 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.295 -37.954 -23.397 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.905 -39.274 -24.374 1.00 0.00 H new ATOM 165 N ARG A 11 3.720 -37.723 -25.070 1.00 0.00 N ATOM 166 CA ARG A 11 2.714 -36.735 -24.588 1.00 0.00 C ATOM 167 C ARG A 11 2.022 -37.282 -23.334 1.00 0.00 C ATOM 168 O ARG A 11 1.888 -38.479 -23.177 1.00 0.00 O ATOM 169 CB ARG A 11 1.670 -36.495 -25.681 1.00 0.00 C ATOM 170 CG ARG A 11 2.276 -35.630 -26.788 1.00 0.00 C ATOM 171 CD ARG A 11 1.612 -34.251 -26.783 1.00 0.00 C ATOM 172 NE ARG A 11 0.138 -34.408 -26.935 1.00 0.00 N ATOM 173 CZ ARG A 11 -0.555 -33.494 -27.560 1.00 0.00 C ATOM 174 NH1 ARG A 11 -0.517 -33.423 -28.863 1.00 0.00 N ATOM 175 NH2 ARG A 11 -1.286 -32.652 -26.882 1.00 0.00 N ATOM 0 H ARG A 11 3.572 -38.065 -26.020 1.00 0.00 H new ATOM 0 HA ARG A 11 3.213 -35.796 -24.349 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.334 -37.447 -26.092 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.794 -36.003 -25.259 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.351 -35.528 -26.637 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.135 -36.109 -27.757 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.839 -33.730 -25.853 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.009 -33.642 -27.595 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.330 -35.229 -26.551 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.054 -34.081 -29.393 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.058 -32.709 -29.351 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.316 -32.708 -25.864 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.827 -31.938 -27.370 1.00 0.00 H new ATOM 189 N PRO A 12 1.601 -36.384 -22.482 1.00 0.00 N ATOM 190 CA PRO A 12 0.913 -36.741 -21.228 1.00 0.00 C ATOM 191 C PRO A 12 -0.545 -37.116 -21.509 1.00 0.00 C ATOM 192 O PRO A 12 -1.387 -36.265 -21.715 1.00 0.00 O ATOM 193 CB PRO A 12 0.997 -35.459 -20.394 1.00 0.00 C ATOM 194 CG PRO A 12 1.209 -34.300 -21.398 1.00 0.00 C ATOM 195 CD PRO A 12 1.772 -34.930 -22.685 1.00 0.00 C ATOM 0 HA PRO A 12 1.356 -37.600 -20.724 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.085 -35.311 -19.816 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.820 -35.512 -19.682 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.270 -33.784 -21.598 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.900 -33.560 -20.995 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.232 -34.585 -23.567 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.820 -34.669 -22.831 1.00 0.00 H new ATOM 203 N ARG A 13 -0.848 -38.385 -21.519 1.00 0.00 N ATOM 204 CA ARG A 13 -2.249 -38.814 -21.786 1.00 0.00 C ATOM 205 C ARG A 13 -2.540 -40.106 -21.020 1.00 0.00 C ATOM 206 O ARG A 13 -3.241 -40.977 -21.496 1.00 0.00 O ATOM 207 CB ARG A 13 -2.432 -39.060 -23.286 1.00 0.00 C ATOM 208 CG ARG A 13 -1.303 -39.957 -23.798 1.00 0.00 C ATOM 209 CD ARG A 13 -1.886 -41.288 -24.276 1.00 0.00 C ATOM 210 NE ARG A 13 -1.353 -41.605 -25.630 1.00 0.00 N ATOM 211 CZ ARG A 13 -2.174 -41.881 -26.606 1.00 0.00 C ATOM 212 NH1 ARG A 13 -2.563 -43.111 -26.806 1.00 0.00 N ATOM 213 NH2 ARG A 13 -2.609 -40.926 -27.384 1.00 0.00 N ATOM 0 H ARG A 13 -0.186 -39.143 -21.354 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.936 -38.033 -21.460 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.397 -39.530 -23.473 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.430 -38.112 -23.824 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.775 -39.465 -24.615 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.574 -40.130 -23.006 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.627 -42.083 -23.576 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.974 -41.231 -24.306 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.346 -41.606 -25.794 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.225 -43.858 -26.199 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.205 -43.325 -27.569 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.307 -39.964 -27.229 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.251 -41.142 -28.147 1.00 0.00 H new ATOM 227 N LYS A 14 -2.009 -40.237 -19.835 1.00 0.00 N ATOM 228 CA LYS A 14 -2.256 -41.472 -19.041 1.00 0.00 C ATOM 229 C LYS A 14 -3.524 -41.292 -18.203 1.00 0.00 C ATOM 230 O LYS A 14 -4.183 -40.273 -18.268 1.00 0.00 O ATOM 231 CB LYS A 14 -1.064 -41.732 -18.118 1.00 0.00 C ATOM 232 CG LYS A 14 -0.918 -40.574 -17.129 1.00 0.00 C ATOM 233 CD LYS A 14 -1.235 -41.067 -15.715 1.00 0.00 C ATOM 234 CE LYS A 14 0.057 -41.510 -15.026 1.00 0.00 C ATOM 235 NZ LYS A 14 -0.275 -42.380 -13.863 1.00 0.00 N ATOM 0 H LYS A 14 -1.415 -39.542 -19.383 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.383 -42.320 -19.714 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.206 -42.668 -17.579 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.152 -41.838 -18.706 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.095 -40.174 -17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.592 -39.762 -17.402 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.712 -40.273 -15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.940 -41.897 -15.758 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.690 -42.051 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.622 -40.639 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.525 -42.392 -13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.119 -42.009 -13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.464 -43.347 -14.196 1.00 0.00 H new ATOM 249 N ASN A 15 -3.874 -42.273 -17.419 1.00 0.00 N ATOM 250 CA ASN A 15 -5.101 -42.156 -16.582 1.00 0.00 C ATOM 251 C ASN A 15 -4.715 -41.746 -15.160 1.00 0.00 C ATOM 252 O ASN A 15 -3.955 -42.423 -14.494 1.00 0.00 O ATOM 253 CB ASN A 15 -5.826 -43.503 -16.546 1.00 0.00 C ATOM 254 CG ASN A 15 -6.960 -43.499 -17.573 1.00 0.00 C ATOM 255 OD1 ASN A 15 -6.875 -44.152 -18.593 1.00 0.00 O ATOM 256 ND2 ASN A 15 -8.029 -42.786 -17.342 1.00 0.00 N ATOM 0 H ASN A 15 -3.364 -43.151 -17.321 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.760 -41.400 -17.010 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.127 -44.310 -16.764 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.225 -43.687 -15.548 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.792 -42.778 -18.018 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.101 -42.237 -16.485 1.00 0.00 H new ATOM 263 N LYS A 16 -5.231 -40.645 -14.690 1.00 0.00 N ATOM 264 CA LYS A 16 -4.894 -40.194 -13.311 1.00 0.00 C ATOM 265 C LYS A 16 -3.407 -39.848 -13.237 1.00 0.00 C ATOM 266 O LYS A 16 -2.561 -40.716 -13.159 1.00 0.00 O ATOM 267 CB LYS A 16 -5.206 -41.315 -12.319 1.00 0.00 C ATOM 268 CG LYS A 16 -6.616 -41.848 -12.581 1.00 0.00 C ATOM 269 CD LYS A 16 -6.985 -42.867 -11.502 1.00 0.00 C ATOM 270 CE LYS A 16 -8.505 -43.028 -11.451 1.00 0.00 C ATOM 271 NZ LYS A 16 -8.975 -43.691 -12.701 1.00 0.00 N ATOM 0 H LYS A 16 -5.872 -40.038 -15.201 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.485 -39.312 -13.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.477 -42.119 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.130 -40.943 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.333 -41.027 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.664 -42.312 -13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.514 -43.826 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.611 -42.538 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.790 -43.621 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.981 -42.054 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.980 -43.939 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.853 -43.042 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.420 -44.555 -12.866 1.00 0.00 H new ATOM 285 N ASN A 17 -3.079 -38.584 -13.261 1.00 0.00 N ATOM 286 CA ASN A 17 -1.645 -38.188 -13.192 1.00 0.00 C ATOM 287 C ASN A 17 -1.297 -37.777 -11.760 1.00 0.00 C ATOM 288 O ASN A 17 -0.868 -36.667 -11.509 1.00 0.00 O ATOM 289 CB ASN A 17 -1.394 -37.012 -14.138 1.00 0.00 C ATOM 290 CG ASN A 17 -0.642 -37.505 -15.376 1.00 0.00 C ATOM 291 OD1 ASN A 17 0.274 -38.296 -15.269 1.00 0.00 O ATOM 292 ND2 ASN A 17 -0.990 -37.067 -16.554 1.00 0.00 N ATOM 0 H ASN A 17 -3.741 -37.811 -13.325 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.021 -39.031 -13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.341 -36.559 -14.431 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.815 -36.241 -13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.493 -37.389 -17.385 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.759 -36.403 -16.645 1.00 0.00 H new ATOM 299 N ILE A 18 -1.474 -38.664 -10.819 1.00 0.00 N ATOM 300 CA ILE A 18 -1.148 -38.323 -9.405 1.00 0.00 C ATOM 301 C ILE A 18 0.352 -38.044 -9.287 1.00 0.00 C ATOM 302 O ILE A 18 1.133 -38.440 -10.129 1.00 0.00 O ATOM 303 CB ILE A 18 -1.523 -39.496 -8.497 1.00 0.00 C ATOM 304 CG1 ILE A 18 -3.045 -39.664 -8.483 1.00 0.00 C ATOM 305 CG2 ILE A 18 -1.031 -39.218 -7.076 1.00 0.00 C ATOM 306 CD1 ILE A 18 -3.398 -41.087 -8.045 1.00 0.00 C ATOM 0 H ILE A 18 -1.830 -39.608 -10.968 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.709 -37.439 -9.103 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.059 -40.408 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.495 -38.941 -7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.452 -39.466 -9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.298 -40.053 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.052 -39.096 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.496 -38.306 -6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.481 -41.206 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.961 -41.801 -8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.004 -41.268 -7.045 1.00 0.00 H new ATOM 318 N LYS A 19 0.763 -37.364 -8.252 1.00 0.00 N ATOM 319 CA LYS A 19 2.213 -37.062 -8.092 1.00 0.00 C ATOM 320 C LYS A 19 2.578 -37.059 -6.605 1.00 0.00 C ATOM 321 O LYS A 19 1.734 -37.223 -5.746 1.00 0.00 O ATOM 322 CB LYS A 19 2.518 -35.690 -8.695 1.00 0.00 C ATOM 323 CG LYS A 19 1.501 -34.668 -8.181 1.00 0.00 C ATOM 324 CD LYS A 19 0.971 -33.842 -9.355 1.00 0.00 C ATOM 325 CE LYS A 19 1.487 -32.406 -9.241 1.00 0.00 C ATOM 326 NZ LYS A 19 2.972 -32.420 -9.118 1.00 0.00 N ATOM 0 H LYS A 19 0.159 -37.005 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 19 2.799 -37.824 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.528 -35.380 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.479 -35.742 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.678 -35.178 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.967 -34.014 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.294 -34.282 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.119 -33.849 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.189 -31.831 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.044 -31.917 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.365 -31.567 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.237 -32.437 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.352 -33.265 -9.591 1.00 0.00 H new ATOM 340 N VAL A 20 3.833 -36.872 -6.295 1.00 0.00 N ATOM 341 CA VAL A 20 4.256 -36.857 -4.866 1.00 0.00 C ATOM 342 C VAL A 20 4.371 -35.410 -4.385 1.00 0.00 C ATOM 343 O VAL A 20 4.700 -34.518 -5.143 1.00 0.00 O ATOM 344 CB VAL A 20 5.615 -37.549 -4.733 1.00 0.00 C ATOM 345 CG1 VAL A 20 6.135 -37.389 -3.303 1.00 0.00 C ATOM 346 CG2 VAL A 20 5.462 -39.037 -5.054 1.00 0.00 C ATOM 0 H VAL A 20 4.584 -36.729 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 20 3.518 -37.383 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 20 6.321 -37.096 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.103 -37.882 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.244 -36.329 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.429 -37.841 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.429 -39.531 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.755 -39.488 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.093 -39.153 -6.073 1.00 0.00 H new ATOM 356 N ASN A 21 4.102 -35.167 -3.132 1.00 0.00 N ATOM 357 CA ASN A 21 4.196 -33.777 -2.607 1.00 0.00 C ATOM 358 C ASN A 21 5.488 -33.619 -1.802 1.00 0.00 C ATOM 359 O ASN A 21 5.764 -34.381 -0.896 1.00 0.00 O ATOM 360 CB ASN A 21 2.994 -33.491 -1.703 1.00 0.00 C ATOM 361 CG ASN A 21 2.409 -32.120 -2.051 1.00 0.00 C ATOM 362 OD1 ASN A 21 3.137 -31.192 -2.343 1.00 0.00 O ATOM 363 ND2 ASN A 21 1.115 -31.953 -2.030 1.00 0.00 N ATOM 0 H ASN A 21 3.821 -35.871 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 21 4.200 -33.075 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.237 -34.265 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.299 -33.513 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.714 -31.043 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.504 -32.732 -1.785 1.00 0.00 H new ATOM 370 N THR A 22 6.282 -32.635 -2.124 1.00 0.00 N ATOM 371 CA THR A 22 7.554 -32.429 -1.377 1.00 0.00 C ATOM 372 C THR A 22 7.901 -30.938 -1.358 1.00 0.00 C ATOM 373 O THR A 22 9.016 -30.555 -1.068 1.00 0.00 O ATOM 374 CB THR A 22 8.681 -33.207 -2.061 1.00 0.00 C ATOM 375 OG1 THR A 22 8.164 -34.422 -2.585 1.00 0.00 O ATOM 376 CG2 THR A 22 9.780 -33.516 -1.042 1.00 0.00 C ATOM 0 H THR A 22 6.105 -31.965 -2.872 1.00 0.00 H new ATOM 0 HA THR A 22 7.435 -32.787 -0.354 1.00 0.00 H new ATOM 0 HB THR A 22 9.097 -32.609 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.884 -34.921 -3.025 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.582 -34.070 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.175 -32.583 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.366 -34.115 -0.231 1.00 0.00 H new ATOM 384 N TYR A 23 6.954 -30.095 -1.664 1.00 0.00 N ATOM 385 CA TYR A 23 7.230 -28.631 -1.661 1.00 0.00 C ATOM 386 C TYR A 23 6.004 -27.882 -1.135 1.00 0.00 C ATOM 387 O TYR A 23 5.147 -27.465 -1.889 1.00 0.00 O ATOM 388 CB TYR A 23 7.539 -28.165 -3.086 1.00 0.00 C ATOM 389 CG TYR A 23 9.035 -28.081 -3.275 1.00 0.00 C ATOM 390 CD1 TYR A 23 9.822 -27.389 -2.344 1.00 0.00 C ATOM 391 CD2 TYR A 23 9.636 -28.695 -4.381 1.00 0.00 C ATOM 392 CE1 TYR A 23 11.210 -27.311 -2.520 1.00 0.00 C ATOM 393 CE2 TYR A 23 11.024 -28.616 -4.558 1.00 0.00 C ATOM 394 CZ TYR A 23 11.811 -27.925 -3.627 1.00 0.00 C ATOM 395 OH TYR A 23 13.178 -27.848 -3.801 1.00 0.00 O ATOM 0 H TYR A 23 6.001 -30.357 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 23 8.086 -28.425 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.109 -28.859 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.083 -27.192 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.359 -26.916 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.030 -29.229 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.816 -26.778 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.487 -29.088 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 23 13.431 -28.328 -4.617 1.00 0.00 H new ATOM 405 N ARG A 24 5.913 -27.707 0.155 1.00 0.00 N ATOM 406 CA ARG A 24 4.742 -26.986 0.729 1.00 0.00 C ATOM 407 C ARG A 24 5.227 -25.761 1.506 1.00 0.00 C ATOM 408 O ARG A 24 5.174 -25.722 2.718 1.00 0.00 O ATOM 409 CB ARG A 24 3.980 -27.919 1.672 1.00 0.00 C ATOM 410 CG ARG A 24 2.580 -28.179 1.112 1.00 0.00 C ATOM 411 CD ARG A 24 1.571 -28.223 2.261 1.00 0.00 C ATOM 412 NE ARG A 24 0.226 -27.826 1.755 1.00 0.00 N ATOM 413 CZ ARG A 24 -0.277 -28.417 0.705 1.00 0.00 C ATOM 414 NH1 ARG A 24 0.163 -29.591 0.343 1.00 0.00 N ATOM 415 NH2 ARG A 24 -1.222 -27.833 0.019 1.00 0.00 N ATOM 0 H ARG A 24 6.599 -28.032 0.836 1.00 0.00 H new ATOM 0 HA ARG A 24 4.082 -26.666 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.519 -28.860 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.909 -27.472 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.308 -27.395 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.565 -29.121 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.530 -29.226 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.884 -27.551 3.060 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.301 -27.093 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.900 -30.047 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.230 -30.052 -0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.567 -26.916 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.616 -28.294 -0.801 1.00 0.00 H new ATOM 429 N THR A 25 5.698 -24.757 0.816 1.00 0.00 N ATOM 430 CA THR A 25 6.186 -23.536 1.516 1.00 0.00 C ATOM 431 C THR A 25 5.190 -22.394 1.302 1.00 0.00 C ATOM 432 O THR A 25 4.298 -22.482 0.482 1.00 0.00 O ATOM 433 CB THR A 25 7.551 -23.133 0.953 1.00 0.00 C ATOM 434 OG1 THR A 25 7.844 -21.796 1.337 1.00 0.00 O ATOM 435 CG2 THR A 25 7.526 -23.234 -0.572 1.00 0.00 C ATOM 0 H THR A 25 5.765 -24.731 -0.201 1.00 0.00 H new ATOM 0 HA THR A 25 6.280 -23.743 2.582 1.00 0.00 H new ATOM 0 HB THR A 25 8.318 -23.801 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.719 -21.537 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.499 -22.947 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.302 -24.260 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.760 -22.568 -0.968 1.00 0.00 H new ATOM 443 N SER A 26 5.336 -21.324 2.033 1.00 0.00 N ATOM 444 CA SER A 26 4.398 -20.178 1.871 1.00 0.00 C ATOM 445 C SER A 26 5.070 -19.084 1.041 1.00 0.00 C ATOM 446 O SER A 26 4.634 -17.949 1.020 1.00 0.00 O ATOM 447 CB SER A 26 4.033 -19.621 3.247 1.00 0.00 C ATOM 448 OG SER A 26 5.199 -19.570 4.057 1.00 0.00 O ATOM 0 H SER A 26 6.064 -21.194 2.735 1.00 0.00 H new ATOM 0 HA SER A 26 3.494 -20.516 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.602 -18.625 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.277 -20.249 3.717 1.00 0.00 H new ATOM 0 HG SER A 26 4.969 -19.212 4.940 1.00 0.00 H new ATOM 454 N ALA A 27 6.130 -19.413 0.354 1.00 0.00 N ATOM 455 CA ALA A 27 6.830 -18.390 -0.474 1.00 0.00 C ATOM 456 C ALA A 27 6.336 -18.478 -1.917 1.00 0.00 C ATOM 457 O ALA A 27 6.029 -17.483 -2.542 1.00 0.00 O ATOM 458 CB ALA A 27 8.338 -18.646 -0.434 1.00 0.00 C ATOM 0 H ALA A 27 6.542 -20.346 0.330 1.00 0.00 H new ATOM 0 HA ALA A 27 6.620 -17.396 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.850 -17.898 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.691 -18.583 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.549 -19.640 -0.830 1.00 0.00 H new ATOM 464 N MET A 28 6.262 -19.664 -2.452 1.00 0.00 N ATOM 465 CA MET A 28 5.791 -19.821 -3.857 1.00 0.00 C ATOM 466 C MET A 28 6.525 -18.822 -4.754 1.00 0.00 C ATOM 467 O MET A 28 7.441 -18.149 -4.326 1.00 0.00 O ATOM 468 CB MET A 28 4.285 -19.555 -3.923 1.00 0.00 C ATOM 469 CG MET A 28 3.637 -20.541 -4.897 1.00 0.00 C ATOM 470 SD MET A 28 2.894 -19.629 -6.272 1.00 0.00 S ATOM 471 CE MET A 28 1.199 -19.606 -5.638 1.00 0.00 C ATOM 0 H MET A 28 6.507 -20.533 -1.977 1.00 0.00 H new ATOM 0 HA MET A 28 5.996 -20.836 -4.198 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.842 -19.661 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.099 -18.531 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.383 -21.242 -5.272 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.877 -21.129 -4.384 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.554 -19.081 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.843 -20.629 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.177 -19.094 -4.676 1.00 0.00 H new ATOM 481 N ASP A 29 6.134 -18.722 -5.995 1.00 0.00 N ATOM 482 CA ASP A 29 6.815 -17.766 -6.913 1.00 0.00 C ATOM 483 C ASP A 29 5.784 -17.120 -7.841 1.00 0.00 C ATOM 484 O ASP A 29 4.955 -17.789 -8.425 1.00 0.00 O ATOM 485 CB ASP A 29 7.851 -18.517 -7.751 1.00 0.00 C ATOM 486 CG ASP A 29 8.558 -17.536 -8.690 1.00 0.00 C ATOM 487 OD1 ASP A 29 8.420 -16.343 -8.478 1.00 0.00 O ATOM 488 OD2 ASP A 29 9.224 -17.996 -9.603 1.00 0.00 O ATOM 0 H ASP A 29 5.374 -19.260 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 29 7.309 -16.992 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.578 -19.002 -7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.366 -19.304 -8.328 1.00 0.00 H new ATOM 493 N LEU A 30 5.831 -15.824 -7.984 1.00 0.00 N ATOM 494 CA LEU A 30 4.857 -15.136 -8.878 1.00 0.00 C ATOM 495 C LEU A 30 5.612 -14.458 -10.023 1.00 0.00 C ATOM 496 O LEU A 30 6.611 -13.799 -9.816 1.00 0.00 O ATOM 497 CB LEU A 30 4.085 -14.082 -8.080 1.00 0.00 C ATOM 498 CG LEU A 30 2.593 -14.193 -8.400 1.00 0.00 C ATOM 499 CD1 LEU A 30 2.392 -14.151 -9.915 1.00 0.00 C ATOM 500 CD2 LEU A 30 2.050 -15.514 -7.850 1.00 0.00 C ATOM 0 H LEU A 30 6.502 -15.211 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 30 4.157 -15.866 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.251 -14.225 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.448 -13.085 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 30 2.060 -13.361 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.329 -14.230 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.778 -13.210 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.925 -14.983 -10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.987 -15.593 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.583 -16.346 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.193 -15.545 -6.770 1.00 0.00 H new ATOM 512 N SER A 31 5.144 -14.617 -11.231 1.00 0.00 N ATOM 513 CA SER A 31 5.838 -13.984 -12.388 1.00 0.00 C ATOM 514 C SER A 31 4.865 -13.055 -13.122 1.00 0.00 C ATOM 515 O SER A 31 4.074 -13.504 -13.929 1.00 0.00 O ATOM 516 CB SER A 31 6.321 -15.074 -13.345 1.00 0.00 C ATOM 517 OG SER A 31 5.202 -15.810 -13.822 1.00 0.00 O ATOM 0 H SER A 31 4.312 -15.158 -11.466 1.00 0.00 H new ATOM 0 HA SER A 31 6.691 -13.406 -12.031 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.860 -14.628 -14.181 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.018 -15.739 -12.835 1.00 0.00 H new ATOM 0 HG SER A 31 4.444 -15.203 -13.956 1.00 0.00 H new ATOM 523 N PRO A 32 4.953 -11.783 -12.822 1.00 0.00 N ATOM 524 CA PRO A 32 4.089 -10.761 -13.440 1.00 0.00 C ATOM 525 C PRO A 32 4.575 -10.435 -14.856 1.00 0.00 C ATOM 526 O PRO A 32 5.622 -10.880 -15.282 1.00 0.00 O ATOM 527 CB PRO A 32 4.245 -9.551 -12.516 1.00 0.00 C ATOM 528 CG PRO A 32 5.587 -9.743 -11.771 1.00 0.00 C ATOM 529 CD PRO A 32 5.919 -11.244 -11.842 1.00 0.00 C ATOM 0 HA PRO A 32 3.052 -11.081 -13.542 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.247 -8.623 -13.088 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.415 -9.490 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.375 -9.150 -12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.506 -9.413 -10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.947 -11.410 -12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.808 -11.723 -10.869 1.00 0.00 H new ATOM 537 N GLY A 33 3.820 -9.661 -15.587 1.00 0.00 N ATOM 538 CA GLY A 33 4.236 -9.308 -16.972 1.00 0.00 C ATOM 539 C GLY A 33 3.299 -9.984 -17.975 1.00 0.00 C ATOM 540 O GLY A 33 3.610 -10.113 -19.142 1.00 0.00 O ATOM 0 H GLY A 33 2.933 -9.258 -15.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.210 -8.227 -17.106 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.264 -9.627 -17.147 1.00 0.00 H new ATOM 544 N SER A 34 2.151 -10.417 -17.528 1.00 0.00 N ATOM 545 CA SER A 34 1.195 -11.084 -18.455 1.00 0.00 C ATOM 546 C SER A 34 -0.055 -10.217 -18.609 1.00 0.00 C ATOM 547 O SER A 34 -0.305 -9.325 -17.823 1.00 0.00 O ATOM 548 CB SER A 34 0.800 -12.448 -17.886 1.00 0.00 C ATOM 549 OG SER A 34 1.200 -13.468 -18.792 1.00 0.00 O ATOM 0 H SER A 34 1.835 -10.337 -16.561 1.00 0.00 H new ATOM 0 HA SER A 34 1.667 -11.218 -19.428 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.273 -12.601 -16.916 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.277 -12.490 -17.726 1.00 0.00 H new ATOM 0 HG SER A 34 0.950 -14.344 -18.430 1.00 0.00 H new ATOM 555 N VAL A 35 -0.843 -10.470 -19.618 1.00 0.00 N ATOM 556 CA VAL A 35 -2.076 -9.661 -19.823 1.00 0.00 C ATOM 557 C VAL A 35 -3.297 -10.469 -19.379 1.00 0.00 C ATOM 558 O VAL A 35 -3.259 -11.682 -19.315 1.00 0.00 O ATOM 559 CB VAL A 35 -2.211 -9.307 -21.305 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.946 -8.590 -21.776 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.401 -10.590 -22.118 1.00 0.00 C ATOM 0 H VAL A 35 -0.685 -11.203 -20.310 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.013 -8.746 -19.234 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.072 -8.654 -21.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.042 -8.338 -22.832 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.808 -7.677 -21.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.084 -9.243 -21.636 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.497 -10.340 -23.175 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.539 -11.242 -21.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.302 -11.103 -21.783 1.00 0.00 H new ATOM 571 N HIS A 36 -4.380 -9.809 -19.072 1.00 0.00 N ATOM 572 CA HIS A 36 -5.598 -10.547 -18.631 1.00 0.00 C ATOM 573 C HIS A 36 -6.803 -9.605 -18.642 1.00 0.00 C ATOM 574 O HIS A 36 -6.662 -8.398 -18.667 1.00 0.00 O ATOM 575 CB HIS A 36 -5.387 -11.077 -17.213 1.00 0.00 C ATOM 576 CG HIS A 36 -5.094 -9.925 -16.292 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.085 -9.302 -15.549 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.928 -9.268 -15.989 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.501 -8.316 -14.842 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.187 -8.253 -15.072 1.00 0.00 N ATOM 0 H HIS A 36 -4.474 -8.794 -19.107 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.780 -11.379 -19.311 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.276 -11.611 -16.876 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.562 -11.789 -17.197 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.075 -9.546 -15.540 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.957 -9.503 -16.399 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.031 -7.656 -14.171 1.00 0.00 H new ATOM 588 N GLU A 37 -7.989 -10.150 -18.614 1.00 0.00 N ATOM 589 CA GLU A 37 -9.205 -9.291 -18.613 1.00 0.00 C ATOM 590 C GLU A 37 -9.728 -9.167 -17.181 1.00 0.00 C ATOM 591 O GLU A 37 -9.804 -10.136 -16.453 1.00 0.00 O ATOM 592 CB GLU A 37 -10.279 -9.927 -19.500 1.00 0.00 C ATOM 593 CG GLU A 37 -9.822 -9.889 -20.960 1.00 0.00 C ATOM 594 CD GLU A 37 -8.797 -10.999 -21.203 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.872 -12.007 -20.521 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.956 -10.821 -22.068 1.00 0.00 O ATOM 0 H GLU A 37 -8.167 -11.154 -18.592 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.959 -8.302 -19.000 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.459 -10.957 -19.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.222 -9.392 -19.389 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.677 -10.018 -21.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.384 -8.918 -21.190 1.00 0.00 H new ATOM 603 N GLY A 38 -10.079 -7.981 -16.766 1.00 0.00 N ATOM 604 CA GLY A 38 -10.584 -7.801 -15.375 1.00 0.00 C ATOM 605 C GLY A 38 -11.647 -6.703 -15.348 1.00 0.00 C ATOM 606 O GLY A 38 -11.929 -6.071 -16.347 1.00 0.00 O ATOM 0 H GLY A 38 -10.038 -7.131 -17.328 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.005 -8.737 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.761 -7.539 -14.710 1.00 0.00 H new ATOM 610 N ILE A 39 -12.237 -6.468 -14.208 1.00 0.00 N ATOM 611 CA ILE A 39 -13.278 -5.408 -14.113 1.00 0.00 C ATOM 612 C ILE A 39 -12.625 -4.127 -13.594 1.00 0.00 C ATOM 613 O ILE A 39 -11.607 -4.166 -12.931 1.00 0.00 O ATOM 614 CB ILE A 39 -14.376 -5.857 -13.147 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.784 -7.296 -13.476 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.592 -4.941 -13.291 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.369 -7.960 -12.228 1.00 0.00 C ATOM 0 H ILE A 39 -12.043 -6.965 -13.339 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.720 -5.227 -15.093 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.002 -5.806 -12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.518 -7.302 -14.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.920 -7.859 -13.829 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.373 -5.262 -12.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.304 -3.915 -13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.967 -4.992 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.659 -8.984 -12.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.621 -7.968 -11.435 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.244 -7.402 -11.895 1.00 0.00 H new ATOM 629 N VAL A 40 -13.182 -2.988 -13.905 1.00 0.00 N ATOM 630 CA VAL A 40 -12.561 -1.715 -13.441 1.00 0.00 C ATOM 631 C VAL A 40 -13.371 -1.112 -12.292 1.00 0.00 C ATOM 632 O VAL A 40 -14.564 -1.305 -12.185 1.00 0.00 O ATOM 633 CB VAL A 40 -12.515 -0.723 -14.605 1.00 0.00 C ATOM 634 CG1 VAL A 40 -12.102 0.655 -14.089 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.498 -1.202 -15.644 1.00 0.00 C ATOM 0 H VAL A 40 -14.034 -2.884 -14.456 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.551 -1.923 -13.087 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.502 -0.658 -15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.070 1.360 -14.920 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.825 0.998 -13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.116 0.591 -13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.465 -0.496 -16.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.512 -1.268 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.792 -2.184 -16.015 1.00 0.00 H new ATOM 645 N TYR A 41 -12.721 -0.374 -11.433 1.00 0.00 N ATOM 646 CA TYR A 41 -13.436 0.258 -10.288 1.00 0.00 C ATOM 647 C TYR A 41 -12.850 1.650 -10.043 1.00 0.00 C ATOM 648 O TYR A 41 -11.670 1.877 -10.229 1.00 0.00 O ATOM 649 CB TYR A 41 -13.258 -0.602 -9.035 1.00 0.00 C ATOM 650 CG TYR A 41 -14.497 -0.506 -8.178 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.648 -1.225 -8.527 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.496 0.303 -7.033 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.798 -1.135 -7.731 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.646 0.393 -6.237 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.797 -0.326 -6.586 1.00 0.00 C ATOM 656 OH TYR A 41 -17.930 -0.238 -5.804 1.00 0.00 O ATOM 0 H TYR A 41 -11.720 -0.181 -11.476 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.498 0.341 -10.517 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.077 -1.639 -9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.387 -0.267 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.649 -1.848 -9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.609 0.857 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.685 -1.689 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.645 1.016 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.760 0.363 -5.049 1.00 0.00 H new ATOM 666 N PHE A 42 -13.660 2.587 -9.632 1.00 0.00 N ATOM 667 CA PHE A 42 -13.140 3.963 -9.387 1.00 0.00 C ATOM 668 C PHE A 42 -13.079 4.233 -7.883 1.00 0.00 C ATOM 669 O PHE A 42 -14.084 4.230 -7.201 1.00 0.00 O ATOM 670 CB PHE A 42 -14.069 4.983 -10.048 1.00 0.00 C ATOM 671 CG PHE A 42 -15.385 5.020 -9.310 1.00 0.00 C ATOM 672 CD1 PHE A 42 -16.368 4.060 -9.584 1.00 0.00 C ATOM 673 CD2 PHE A 42 -15.625 6.016 -8.352 1.00 0.00 C ATOM 674 CE1 PHE A 42 -17.590 4.094 -8.901 1.00 0.00 C ATOM 675 CE2 PHE A 42 -16.849 6.051 -7.670 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.832 5.090 -7.945 1.00 0.00 C ATOM 0 H PHE A 42 -14.657 2.460 -9.456 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.139 4.050 -9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.607 5.970 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.233 4.718 -11.092 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.183 3.294 -10.322 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.867 6.756 -8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.346 3.352 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.035 6.818 -6.933 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.776 5.117 -7.420 1.00 0.00 H new ATOM 686 N LYS A 43 -11.907 4.475 -7.360 1.00 0.00 N ATOM 687 CA LYS A 43 -11.790 4.753 -5.900 1.00 0.00 C ATOM 688 C LYS A 43 -10.326 4.649 -5.468 1.00 0.00 C ATOM 689 O LYS A 43 -9.518 4.018 -6.121 1.00 0.00 O ATOM 690 CB LYS A 43 -12.624 3.735 -5.121 1.00 0.00 C ATOM 691 CG LYS A 43 -13.810 4.445 -4.466 1.00 0.00 C ATOM 692 CD LYS A 43 -14.792 3.405 -3.924 1.00 0.00 C ATOM 693 CE LYS A 43 -16.128 4.081 -3.613 1.00 0.00 C ATOM 694 NZ LYS A 43 -17.006 4.023 -4.815 1.00 0.00 N ATOM 0 H LYS A 43 -11.029 4.492 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.154 5.760 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.979 2.951 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.011 3.251 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.461 5.087 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.308 5.088 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.936 2.609 -4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.388 2.942 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.612 3.584 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.963 5.118 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.000 4.110 -4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.765 4.803 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.867 3.115 -5.303 1.00 0.00 H new ATOM 708 N ASP A 44 -9.980 5.266 -4.368 1.00 0.00 N ATOM 709 CA ASP A 44 -8.570 5.206 -3.887 1.00 0.00 C ATOM 710 C ASP A 44 -7.705 6.167 -4.705 1.00 0.00 C ATOM 711 O ASP A 44 -6.559 5.889 -4.996 1.00 0.00 O ATOM 712 CB ASP A 44 -8.037 3.780 -4.040 1.00 0.00 C ATOM 713 CG ASP A 44 -7.285 3.375 -2.772 1.00 0.00 C ATOM 714 OD1 ASP A 44 -7.578 3.935 -1.729 1.00 0.00 O ATOM 715 OD2 ASP A 44 -6.428 2.513 -2.865 1.00 0.00 O ATOM 0 H ASP A 44 -10.615 5.809 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.535 5.495 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.861 3.090 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.374 3.719 -4.903 1.00 0.00 H new ATOM 720 N GLY A 45 -8.242 7.297 -5.079 1.00 0.00 N ATOM 721 CA GLY A 45 -7.448 8.274 -5.878 1.00 0.00 C ATOM 722 C GLY A 45 -6.735 7.545 -7.017 1.00 0.00 C ATOM 723 O GLY A 45 -5.725 7.996 -7.520 1.00 0.00 O ATOM 0 H GLY A 45 -9.197 7.586 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.102 9.047 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.719 8.774 -5.240 1.00 0.00 H new ATOM 727 N ILE A 46 -7.254 6.420 -7.429 1.00 0.00 N ATOM 728 CA ILE A 46 -6.611 5.656 -8.535 1.00 0.00 C ATOM 729 C ILE A 46 -7.644 4.711 -9.153 1.00 0.00 C ATOM 730 O ILE A 46 -8.834 4.944 -9.072 1.00 0.00 O ATOM 731 CB ILE A 46 -5.441 4.842 -7.978 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.971 3.799 -6.991 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.467 5.774 -7.254 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.222 2.481 -7.189 1.00 0.00 C ATOM 0 H ILE A 46 -8.099 5.996 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.241 6.345 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.925 4.342 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.842 4.153 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.040 3.649 -7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.634 5.193 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.089 6.520 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.983 6.274 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.600 1.739 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.374 2.126 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.158 2.638 -7.014 1.00 0.00 H new ATOM 746 N PHE A 47 -7.207 3.643 -9.765 1.00 0.00 N ATOM 747 CA PHE A 47 -8.179 2.693 -10.373 1.00 0.00 C ATOM 748 C PHE A 47 -8.072 1.347 -9.657 1.00 0.00 C ATOM 749 O PHE A 47 -7.109 1.077 -8.968 1.00 0.00 O ATOM 750 CB PHE A 47 -7.863 2.513 -11.858 1.00 0.00 C ATOM 751 CG PHE A 47 -8.921 3.203 -12.687 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.424 4.449 -12.288 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.399 2.597 -13.857 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.405 5.089 -13.059 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.380 3.237 -14.627 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.882 4.482 -14.228 1.00 0.00 C ATOM 0 H PHE A 47 -6.225 3.389 -9.869 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.191 3.085 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.881 2.928 -12.084 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.826 1.452 -12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.056 4.916 -11.387 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.012 1.637 -14.165 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.793 6.049 -12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.749 2.770 -15.528 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.638 4.975 -14.822 1.00 0.00 H new ATOM 766 N LYS A 48 -9.053 0.501 -9.807 1.00 0.00 N ATOM 767 CA LYS A 48 -8.997 -0.821 -9.124 1.00 0.00 C ATOM 768 C LYS A 48 -9.428 -1.922 -10.094 1.00 0.00 C ATOM 769 O LYS A 48 -10.455 -1.833 -10.736 1.00 0.00 O ATOM 770 CB LYS A 48 -9.934 -0.808 -7.917 1.00 0.00 C ATOM 771 CG LYS A 48 -9.118 -0.630 -6.636 1.00 0.00 C ATOM 772 CD LYS A 48 -9.817 0.375 -5.720 1.00 0.00 C ATOM 773 CE LYS A 48 -10.193 -0.304 -4.402 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.249 0.716 -3.316 1.00 0.00 N ATOM 0 H LYS A 48 -9.887 0.667 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.977 -1.014 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.658 0.001 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.500 -1.738 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.008 -1.587 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.114 -0.281 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.161 1.224 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.711 0.765 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.158 -0.801 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.462 -1.074 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.505 0.255 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.319 1.171 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.963 1.435 -3.551 1.00 0.00 H new ATOM 788 N VAL A 49 -8.648 -2.962 -10.203 1.00 0.00 N ATOM 789 CA VAL A 49 -9.009 -4.073 -11.127 1.00 0.00 C ATOM 790 C VAL A 49 -9.412 -5.301 -10.310 1.00 0.00 C ATOM 791 O VAL A 49 -8.668 -5.772 -9.473 1.00 0.00 O ATOM 792 CB VAL A 49 -7.803 -4.423 -11.997 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.254 -5.293 -13.172 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.167 -3.137 -12.529 1.00 0.00 C ATOM 0 H VAL A 49 -7.775 -3.090 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.840 -3.763 -11.760 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.073 -4.970 -11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.393 -5.542 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.706 -6.210 -12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.985 -4.748 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.306 -3.386 -13.150 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.897 -2.589 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.843 -2.518 -11.692 1.00 0.00 H new ATOM 804 N ARG A 50 -10.581 -5.828 -10.546 1.00 0.00 N ATOM 805 CA ARG A 50 -11.022 -7.028 -9.781 1.00 0.00 C ATOM 806 C ARG A 50 -10.940 -8.264 -10.682 1.00 0.00 C ATOM 807 O ARG A 50 -11.444 -8.271 -11.788 1.00 0.00 O ATOM 808 CB ARG A 50 -12.464 -6.834 -9.311 1.00 0.00 C ATOM 809 CG ARG A 50 -12.636 -7.452 -7.922 1.00 0.00 C ATOM 810 CD ARG A 50 -13.811 -6.782 -7.207 1.00 0.00 C ATOM 811 NE ARG A 50 -13.717 -5.305 -7.376 1.00 0.00 N ATOM 812 CZ ARG A 50 -13.287 -4.561 -6.393 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.091 -4.247 -5.414 1.00 0.00 N ATOM 814 NH2 ARG A 50 -12.055 -4.133 -6.386 1.00 0.00 N ATOM 0 H ARG A 50 -11.249 -5.481 -11.234 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.375 -7.165 -8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.708 -5.772 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.153 -7.300 -10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.813 -8.524 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.723 -7.326 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.754 -7.146 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.801 -7.039 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.989 -4.875 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.054 -4.583 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.756 -3.666 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.425 -4.379 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.721 -3.552 -5.617 1.00 0.00 H new ATOM 828 N LEU A 51 -10.310 -9.309 -10.218 1.00 0.00 N ATOM 829 CA LEU A 51 -10.200 -10.541 -11.049 1.00 0.00 C ATOM 830 C LEU A 51 -11.385 -11.462 -10.753 1.00 0.00 C ATOM 831 O LEU A 51 -11.282 -12.393 -9.978 1.00 0.00 O ATOM 832 CB LEU A 51 -8.893 -11.265 -10.718 1.00 0.00 C ATOM 833 CG LEU A 51 -8.214 -11.713 -12.013 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.166 -12.609 -12.806 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.857 -10.483 -12.851 1.00 0.00 C ATOM 0 H LEU A 51 -9.867 -9.363 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.206 -10.270 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.231 -10.604 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.094 -12.128 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.307 -12.269 -11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.681 -12.928 -13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.423 -13.485 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.073 -12.054 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.373 -10.800 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.765 -9.929 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.179 -9.843 -12.287 1.00 0.00 H new ATOM 847 N LEU A 52 -12.511 -11.209 -11.362 1.00 0.00 N ATOM 848 CA LEU A 52 -13.704 -12.068 -11.116 1.00 0.00 C ATOM 849 C LEU A 52 -13.432 -13.484 -11.629 1.00 0.00 C ATOM 850 O LEU A 52 -12.960 -13.676 -12.731 1.00 0.00 O ATOM 851 CB LEU A 52 -14.911 -11.481 -11.851 1.00 0.00 C ATOM 852 CG LEU A 52 -16.191 -12.145 -11.345 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.929 -11.188 -10.408 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.091 -12.486 -12.535 1.00 0.00 C ATOM 0 H LEU A 52 -12.657 -10.443 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.911 -12.106 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.960 -10.404 -11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.808 -11.638 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.937 -13.057 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.842 -11.663 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.289 -10.943 -9.561 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.183 -10.275 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.005 -12.960 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.343 -11.573 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.567 -13.169 -13.204 1.00 0.00 H new ATOM 866 N GLY A 53 -13.730 -14.479 -10.837 1.00 0.00 N ATOM 867 CA GLY A 53 -13.490 -15.882 -11.279 1.00 0.00 C ATOM 868 C GLY A 53 -12.458 -16.539 -10.361 1.00 0.00 C ATOM 869 O GLY A 53 -12.601 -17.679 -9.965 1.00 0.00 O ATOM 0 H GLY A 53 -14.129 -14.380 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.423 -16.446 -11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.135 -15.894 -12.309 1.00 0.00 H new ATOM 873 N TYR A 54 -11.418 -15.828 -10.018 1.00 0.00 N ATOM 874 CA TYR A 54 -10.376 -16.412 -9.127 1.00 0.00 C ATOM 875 C TYR A 54 -10.904 -16.471 -7.691 1.00 0.00 C ATOM 876 O TYR A 54 -10.527 -17.326 -6.915 1.00 0.00 O ATOM 877 CB TYR A 54 -9.121 -15.537 -9.172 1.00 0.00 C ATOM 878 CG TYR A 54 -8.099 -16.068 -8.195 1.00 0.00 C ATOM 879 CD1 TYR A 54 -7.189 -17.054 -8.600 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.061 -15.574 -6.885 1.00 0.00 C ATOM 881 CE1 TYR A 54 -6.241 -17.546 -7.694 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.112 -16.065 -5.979 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.202 -17.051 -6.383 1.00 0.00 C ATOM 884 OH TYR A 54 -5.267 -17.535 -5.490 1.00 0.00 O ATOM 0 H TYR A 54 -11.245 -14.868 -10.317 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.132 -17.419 -9.465 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.706 -15.530 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.375 -14.506 -8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.219 -17.434 -9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.763 -14.815 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.540 -18.307 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.082 -15.684 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.376 -17.085 -4.626 1.00 0.00 H new ATOM 894 N GLU A 55 -11.774 -15.567 -7.331 1.00 0.00 N ATOM 895 CA GLU A 55 -12.326 -15.571 -5.947 1.00 0.00 C ATOM 896 C GLU A 55 -11.195 -15.316 -4.947 1.00 0.00 C ATOM 897 O GLU A 55 -10.566 -16.235 -4.460 1.00 0.00 O ATOM 898 CB GLU A 55 -12.968 -16.928 -5.654 1.00 0.00 C ATOM 899 CG GLU A 55 -13.680 -16.873 -4.300 1.00 0.00 C ATOM 900 CD GLU A 55 -14.609 -18.081 -4.160 1.00 0.00 C ATOM 901 OE1 GLU A 55 -14.118 -19.194 -4.255 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.794 -17.872 -3.959 1.00 0.00 O ATOM 0 H GLU A 55 -12.126 -14.825 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.078 -14.788 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.678 -17.184 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.207 -17.708 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.948 -16.869 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.253 -15.949 -4.216 1.00 0.00 H new ATOM 909 N GLY A 56 -10.931 -14.076 -4.636 1.00 0.00 N ATOM 910 CA GLY A 56 -9.842 -13.765 -3.668 1.00 0.00 C ATOM 911 C GLY A 56 -8.700 -13.053 -4.395 1.00 0.00 C ATOM 912 O GLY A 56 -7.600 -12.944 -3.889 1.00 0.00 O ATOM 0 H GLY A 56 -11.423 -13.265 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.224 -13.135 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.477 -14.683 -3.207 1.00 0.00 H new ATOM 916 N HIS A 57 -8.951 -12.566 -5.580 1.00 0.00 N ATOM 917 CA HIS A 57 -7.880 -11.861 -6.338 1.00 0.00 C ATOM 918 C HIS A 57 -8.270 -10.394 -6.530 1.00 0.00 C ATOM 919 O HIS A 57 -8.908 -10.033 -7.499 1.00 0.00 O ATOM 920 CB HIS A 57 -7.702 -12.522 -7.705 1.00 0.00 C ATOM 921 CG HIS A 57 -6.369 -13.217 -7.756 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.867 -13.770 -8.924 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.420 -13.453 -6.792 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.668 -14.306 -8.636 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.347 -14.141 -7.349 1.00 0.00 N ATOM 0 H HIS A 57 -9.852 -12.626 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.945 -11.919 -5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.505 -13.238 -7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.764 -11.773 -8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.495 -13.150 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.040 -14.809 -9.357 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.498 -14.452 -6.877 1.00 0.00 H new ATOM 933 N GLU A 58 -7.892 -9.548 -5.613 1.00 0.00 N ATOM 934 CA GLU A 58 -8.239 -8.105 -5.743 1.00 0.00 C ATOM 935 C GLU A 58 -7.026 -7.335 -6.264 1.00 0.00 C ATOM 936 O GLU A 58 -6.076 -7.096 -5.545 1.00 0.00 O ATOM 937 CB GLU A 58 -8.644 -7.551 -4.375 1.00 0.00 C ATOM 938 CG GLU A 58 -9.236 -6.150 -4.548 1.00 0.00 C ATOM 939 CD GLU A 58 -8.397 -5.138 -3.764 1.00 0.00 C ATOM 940 OE1 GLU A 58 -7.290 -5.483 -3.385 1.00 0.00 O ATOM 941 OE2 GLU A 58 -8.876 -4.035 -3.558 1.00 0.00 O ATOM 0 H GLU A 58 -7.358 -9.793 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.069 -7.993 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.374 -8.210 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.777 -7.513 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.256 -5.881 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.267 -6.134 -4.195 1.00 0.00 H new ATOM 948 N CYS A 59 -7.047 -6.941 -7.508 1.00 0.00 N ATOM 949 CA CYS A 59 -5.893 -6.185 -8.065 1.00 0.00 C ATOM 950 C CYS A 59 -6.242 -4.698 -8.120 1.00 0.00 C ATOM 951 O CYS A 59 -7.398 -4.322 -8.104 1.00 0.00 O ATOM 952 CB CYS A 59 -5.584 -6.689 -9.477 1.00 0.00 C ATOM 953 SG CYS A 59 -5.705 -8.495 -9.513 1.00 0.00 S ATOM 0 H CYS A 59 -7.812 -7.110 -8.161 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.020 -6.333 -7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.282 -6.253 -10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.584 -6.375 -9.776 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.445 -8.924 -10.712 1.00 0.00 H new ATOM 959 N ILE A 60 -5.255 -3.851 -8.187 1.00 0.00 N ATOM 960 CA ILE A 60 -5.528 -2.388 -8.247 1.00 0.00 C ATOM 961 C ILE A 60 -4.715 -1.777 -9.389 1.00 0.00 C ATOM 962 O ILE A 60 -3.584 -2.148 -9.617 1.00 0.00 O ATOM 963 CB ILE A 60 -5.116 -1.737 -6.926 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.744 -2.267 -6.505 1.00 0.00 C ATOM 965 CG2 ILE A 60 -6.145 -2.077 -5.846 1.00 0.00 C ATOM 966 CD1 ILE A 60 -3.397 -1.737 -5.113 1.00 0.00 C ATOM 0 H ILE A 60 -4.268 -4.109 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.591 -2.218 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.067 -0.656 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.749 -3.357 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.986 -1.956 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.851 -1.613 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.124 -1.702 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.194 -3.158 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.419 -2.115 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.374 -0.647 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.150 -2.071 -4.399 1.00 0.00 H new ATOM 978 N LEU A 61 -5.276 -0.846 -10.110 1.00 0.00 N ATOM 979 CA LEU A 61 -4.512 -0.234 -11.232 1.00 0.00 C ATOM 980 C LEU A 61 -3.895 1.087 -10.776 1.00 0.00 C ATOM 981 O LEU A 61 -4.569 1.959 -10.252 1.00 0.00 O ATOM 982 CB LEU A 61 -5.439 0.022 -12.419 1.00 0.00 C ATOM 983 CG LEU A 61 -4.593 0.343 -13.652 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.660 -0.823 -14.639 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.129 1.611 -14.322 1.00 0.00 C ATOM 0 H LEU A 61 -6.220 -0.486 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.721 -0.920 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.061 -0.853 -12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.113 0.850 -12.199 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.558 0.501 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.056 -0.592 -15.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.277 -1.725 -14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.695 -0.984 -14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.527 1.841 -15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.165 1.453 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.078 2.443 -13.620 1.00 0.00 H new ATOM 997 N LEU A 62 -2.615 1.236 -10.974 1.00 0.00 N ATOM 998 CA LEU A 62 -1.929 2.492 -10.559 1.00 0.00 C ATOM 999 C LEU A 62 -0.479 2.463 -11.048 1.00 0.00 C ATOM 1000 O LEU A 62 0.100 3.485 -11.361 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.950 2.602 -9.032 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.101 3.796 -8.589 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.892 5.090 -8.788 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.743 3.643 -7.108 1.00 0.00 C ATOM 0 H LEU A 62 -2.011 0.538 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.443 3.350 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.975 2.722 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.565 1.685 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.189 3.833 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.286 5.939 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.150 5.200 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.804 5.054 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.138 4.492 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.657 3.606 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.179 2.722 -6.963 1.00 0.00 H new ATOM 1016 N ASP A 63 0.114 1.301 -11.114 1.00 0.00 N ATOM 1017 CA ASP A 63 1.526 1.209 -11.581 1.00 0.00 C ATOM 1018 C ASP A 63 1.650 1.863 -12.958 1.00 0.00 C ATOM 1019 O ASP A 63 2.578 2.601 -13.223 1.00 0.00 O ATOM 1020 CB ASP A 63 1.937 -0.261 -11.673 1.00 0.00 C ATOM 1021 CG ASP A 63 2.780 -0.635 -10.452 1.00 0.00 C ATOM 1022 OD1 ASP A 63 3.861 -0.086 -10.314 1.00 0.00 O ATOM 1023 OD2 ASP A 63 2.331 -1.462 -9.678 1.00 0.00 O ATOM 0 H ASP A 63 -0.319 0.412 -10.864 1.00 0.00 H new ATOM 0 HA ASP A 63 2.178 1.724 -10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.051 -0.894 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.505 -0.434 -12.587 1.00 0.00 H new ATOM 1028 N TYR A 64 0.723 1.597 -13.839 1.00 0.00 N ATOM 1029 CA TYR A 64 0.796 2.208 -15.198 1.00 0.00 C ATOM 1030 C TYR A 64 -0.379 3.169 -15.392 1.00 0.00 C ATOM 1031 O TYR A 64 -1.117 3.076 -16.353 1.00 0.00 O ATOM 1032 CB TYR A 64 0.730 1.103 -16.254 1.00 0.00 C ATOM 1033 CG TYR A 64 2.120 0.792 -16.752 1.00 0.00 C ATOM 1034 CD1 TYR A 64 3.214 0.884 -15.882 1.00 0.00 C ATOM 1035 CD2 TYR A 64 2.317 0.406 -18.085 1.00 0.00 C ATOM 1036 CE1 TYR A 64 4.505 0.592 -16.345 1.00 0.00 C ATOM 1037 CE2 TYR A 64 3.606 0.113 -18.547 1.00 0.00 C ATOM 1038 CZ TYR A 64 4.701 0.207 -17.677 1.00 0.00 C ATOM 1039 OH TYR A 64 5.971 -0.082 -18.132 1.00 0.00 O ATOM 0 H TYR A 64 -0.078 0.986 -13.678 1.00 0.00 H new ATOM 0 HA TYR A 64 1.732 2.757 -15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.277 0.207 -15.829 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.098 1.417 -17.084 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.063 1.180 -14.854 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.474 0.335 -18.756 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.348 0.664 -15.674 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.757 -0.185 -19.574 1.00 0.00 H new ATOM 0 HH TYR A 64 5.930 -0.333 -19.078 1.00 0.00 H new ATOM 1049 N LEU A 65 -0.559 4.093 -14.489 1.00 0.00 N ATOM 1050 CA LEU A 65 -1.687 5.058 -14.626 1.00 0.00 C ATOM 1051 C LEU A 65 -1.347 6.091 -15.701 1.00 0.00 C ATOM 1052 O LEU A 65 -2.184 6.869 -16.113 1.00 0.00 O ATOM 1053 CB LEU A 65 -1.917 5.768 -13.291 1.00 0.00 C ATOM 1054 CG LEU A 65 -3.145 6.674 -13.397 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -4.257 6.136 -12.494 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -2.774 8.092 -12.955 1.00 0.00 C ATOM 0 H LEU A 65 0.025 4.222 -13.663 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.591 4.521 -14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.061 5.035 -12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.039 6.357 -13.025 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.492 6.693 -14.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.132 6.782 -12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.523 5.126 -12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.909 6.116 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.649 8.737 -13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.426 8.072 -11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.982 8.478 -13.597 1.00 0.00 H new ATOM 1068 N ASN A 66 -0.123 6.108 -16.158 1.00 0.00 N ATOM 1069 CA ASN A 66 0.267 7.096 -17.204 1.00 0.00 C ATOM 1070 C ASN A 66 -0.313 8.465 -16.847 1.00 0.00 C ATOM 1071 O ASN A 66 -0.870 9.151 -17.680 1.00 0.00 O ATOM 1072 CB ASN A 66 -0.279 6.647 -18.562 1.00 0.00 C ATOM 1073 CG ASN A 66 0.757 5.767 -19.262 1.00 0.00 C ATOM 1074 OD1 ASN A 66 0.490 4.622 -19.572 1.00 0.00 O ATOM 1075 ND2 ASN A 66 1.938 6.255 -19.528 1.00 0.00 N ATOM 0 H ASN A 66 0.622 5.482 -15.853 1.00 0.00 H new ATOM 0 HA ASN A 66 1.354 7.162 -17.256 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.209 6.095 -18.427 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.510 7.516 -19.178 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.636 5.676 -19.995 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.163 7.215 -19.269 1.00 0.00 H new ATOM 1082 N TYR A 67 -0.190 8.862 -15.610 1.00 0.00 N ATOM 1083 CA TYR A 67 -0.737 10.183 -15.191 1.00 0.00 C ATOM 1084 C TYR A 67 -0.409 11.237 -16.250 1.00 0.00 C ATOM 1085 O TYR A 67 0.654 11.235 -16.837 1.00 0.00 O ATOM 1086 CB TYR A 67 -0.115 10.592 -13.855 1.00 0.00 C ATOM 1087 CG TYR A 67 -0.877 11.763 -13.284 1.00 0.00 C ATOM 1088 CD1 TYR A 67 -2.027 11.542 -12.515 1.00 0.00 C ATOM 1089 CD2 TYR A 67 -0.435 13.070 -13.523 1.00 0.00 C ATOM 1090 CE1 TYR A 67 -2.735 12.628 -11.985 1.00 0.00 C ATOM 1091 CE2 TYR A 67 -1.143 14.158 -12.993 1.00 0.00 C ATOM 1092 CZ TYR A 67 -2.293 13.936 -12.223 1.00 0.00 C ATOM 1093 OH TYR A 67 -2.990 15.006 -11.702 1.00 0.00 O ATOM 0 H TYR A 67 0.266 8.328 -14.871 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.819 10.107 -15.082 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.139 9.754 -13.158 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.932 10.859 -13.996 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.368 10.534 -12.331 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.452 13.240 -14.116 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.622 12.457 -11.393 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.803 15.166 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.548 15.842 -11.961 1.00 0.00 H new ATOM 1103 N ARG A 68 -1.318 12.141 -16.495 1.00 0.00 N ATOM 1104 CA ARG A 68 -1.066 13.199 -17.513 1.00 0.00 C ATOM 1105 C ARG A 68 -1.099 14.570 -16.834 1.00 0.00 C ATOM 1106 O ARG A 68 -0.079 15.185 -16.600 1.00 0.00 O ATOM 1107 CB ARG A 68 -2.152 13.137 -18.589 1.00 0.00 C ATOM 1108 CG ARG A 68 -1.634 12.354 -19.797 1.00 0.00 C ATOM 1109 CD ARG A 68 -2.798 12.042 -20.738 1.00 0.00 C ATOM 1110 NE ARG A 68 -2.775 12.991 -21.888 1.00 0.00 N ATOM 1111 CZ ARG A 68 -3.879 13.556 -22.291 1.00 0.00 C ATOM 1112 NH1 ARG A 68 -4.824 12.833 -22.828 1.00 0.00 N ATOM 1113 NH2 ARG A 68 -4.039 14.845 -22.157 1.00 0.00 N ATOM 0 H ARG A 68 -2.226 12.192 -16.033 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.090 13.042 -17.972 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.047 12.659 -18.190 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.437 14.145 -18.891 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.874 12.933 -20.321 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.160 11.429 -19.469 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.724 11.016 -21.098 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.744 12.125 -20.203 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.895 13.198 -22.360 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.699 11.826 -22.932 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.688 13.275 -23.143 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.301 15.410 -21.737 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.902 15.287 -22.472 1.00 0.00 H new ATOM 1127 N GLN A 69 -2.270 15.049 -16.517 1.00 0.00 N ATOM 1128 CA GLN A 69 -2.379 16.378 -15.852 1.00 0.00 C ATOM 1129 C GLN A 69 -3.851 16.791 -15.794 1.00 0.00 C ATOM 1130 O GLN A 69 -4.338 17.250 -14.780 1.00 0.00 O ATOM 1131 CB GLN A 69 -1.586 17.417 -16.646 1.00 0.00 C ATOM 1132 CG GLN A 69 -1.943 17.311 -18.130 1.00 0.00 C ATOM 1133 CD GLN A 69 -0.764 17.801 -18.973 1.00 0.00 C ATOM 1134 OE1 GLN A 69 0.078 18.534 -18.492 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -0.666 17.425 -20.219 1.00 0.00 N ATOM 0 H GLN A 69 -3.157 14.577 -16.690 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.975 16.315 -14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.810 18.419 -16.278 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.517 17.258 -16.507 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.182 16.279 -18.385 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.830 17.906 -18.345 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.372 16.810 -20.623 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.117 17.746 -20.789 1.00 0.00 H new ATOM 1144 N ASP A 70 -4.564 16.624 -16.874 1.00 0.00 N ATOM 1145 CA ASP A 70 -6.005 16.999 -16.880 1.00 0.00 C ATOM 1146 C ASP A 70 -6.753 16.148 -15.852 1.00 0.00 C ATOM 1147 O ASP A 70 -6.251 15.146 -15.380 1.00 0.00 O ATOM 1148 CB ASP A 70 -6.590 16.752 -18.272 1.00 0.00 C ATOM 1149 CG ASP A 70 -6.959 18.089 -18.917 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -7.165 19.041 -18.183 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -7.029 18.138 -20.134 1.00 0.00 O ATOM 0 H ASP A 70 -4.210 16.244 -17.752 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.110 18.054 -16.626 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.867 16.224 -18.893 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.472 16.116 -18.199 1.00 0.00 H new ATOM 1156 N THR A 71 -7.948 16.535 -15.500 1.00 0.00 N ATOM 1157 CA THR A 71 -8.719 15.742 -14.503 1.00 0.00 C ATOM 1158 C THR A 71 -9.086 14.384 -15.103 1.00 0.00 C ATOM 1159 O THR A 71 -8.993 14.178 -16.297 1.00 0.00 O ATOM 1160 CB THR A 71 -9.998 16.495 -14.129 1.00 0.00 C ATOM 1161 OG1 THR A 71 -9.857 17.866 -14.477 1.00 0.00 O ATOM 1162 CG2 THR A 71 -10.243 16.371 -12.624 1.00 0.00 C ATOM 0 H THR A 71 -8.422 17.364 -15.859 1.00 0.00 H new ATOM 0 HA THR A 71 -8.110 15.593 -13.611 1.00 0.00 H new ATOM 0 HB THR A 71 -10.843 16.068 -14.669 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.676 18.350 -14.240 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.154 16.907 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.351 15.319 -12.358 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.399 16.798 -12.082 1.00 0.00 H new ATOM 1170 N LEU A 72 -9.501 13.456 -14.287 1.00 0.00 N ATOM 1171 CA LEU A 72 -9.873 12.113 -14.813 1.00 0.00 C ATOM 1172 C LEU A 72 -11.349 11.837 -14.514 1.00 0.00 C ATOM 1173 O LEU A 72 -11.861 10.775 -14.803 1.00 0.00 O ATOM 1174 CB LEU A 72 -9.007 11.043 -14.141 1.00 0.00 C ATOM 1175 CG LEU A 72 -7.530 11.389 -14.331 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -6.991 12.047 -13.059 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -6.741 10.109 -14.615 1.00 0.00 C ATOM 0 H LEU A 72 -9.599 13.569 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.710 12.088 -15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.244 10.983 -13.079 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.220 10.064 -14.571 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.423 12.078 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.938 12.293 -13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.553 12.958 -12.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.097 11.359 -12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.688 10.354 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.849 9.421 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.124 9.639 -15.521 1.00 0.00 H new ATOM 1189 N ASP A 73 -12.036 12.786 -13.938 1.00 0.00 N ATOM 1190 CA ASP A 73 -13.477 12.575 -13.623 1.00 0.00 C ATOM 1191 C ASP A 73 -14.221 12.156 -14.893 1.00 0.00 C ATOM 1192 O ASP A 73 -14.911 11.157 -14.917 1.00 0.00 O ATOM 1193 CB ASP A 73 -14.076 13.878 -13.087 1.00 0.00 C ATOM 1194 CG ASP A 73 -13.990 13.887 -11.559 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -13.996 12.814 -10.978 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -13.921 14.968 -10.997 1.00 0.00 O ATOM 0 H ASP A 73 -11.662 13.697 -13.672 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.575 11.792 -12.871 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.539 14.733 -13.497 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.115 13.971 -13.404 1.00 0.00 H new ATOM 1201 N ARG A 74 -14.086 12.910 -15.949 1.00 0.00 N ATOM 1202 CA ARG A 74 -14.785 12.552 -17.215 1.00 0.00 C ATOM 1203 C ARG A 74 -14.275 11.198 -17.713 1.00 0.00 C ATOM 1204 O ARG A 74 -15.013 10.413 -18.274 1.00 0.00 O ATOM 1205 CB ARG A 74 -14.509 13.624 -18.271 1.00 0.00 C ATOM 1206 CG ARG A 74 -15.654 13.651 -19.286 1.00 0.00 C ATOM 1207 CD ARG A 74 -15.384 14.734 -20.332 1.00 0.00 C ATOM 1208 NE ARG A 74 -16.585 15.605 -20.468 1.00 0.00 N ATOM 1209 CZ ARG A 74 -16.814 16.230 -21.591 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -15.840 16.846 -22.204 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -18.015 16.239 -22.101 1.00 0.00 N ATOM 0 H ARG A 74 -13.522 13.759 -15.990 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.858 12.491 -17.034 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.408 14.600 -17.796 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.566 13.416 -18.777 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.748 12.679 -19.770 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.599 13.848 -18.779 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.520 15.331 -20.038 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.144 14.276 -21.291 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.228 15.713 -19.684 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.901 16.839 -21.806 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -16.018 17.335 -23.082 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.776 15.757 -21.622 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.193 16.728 -22.978 1.00 0.00 H new ATOM 1225 N LEU A 75 -13.016 10.916 -17.511 1.00 0.00 N ATOM 1226 CA LEU A 75 -12.459 9.612 -17.971 1.00 0.00 C ATOM 1227 C LEU A 75 -13.306 8.469 -17.407 1.00 0.00 C ATOM 1228 O LEU A 75 -13.448 7.428 -18.017 1.00 0.00 O ATOM 1229 CB LEU A 75 -11.018 9.468 -17.476 1.00 0.00 C ATOM 1230 CG LEU A 75 -10.240 8.556 -18.426 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -9.363 9.405 -19.346 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -9.355 7.610 -17.610 1.00 0.00 C ATOM 0 H LEU A 75 -12.349 11.533 -17.047 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.475 9.575 -19.060 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.541 10.447 -17.423 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.008 9.054 -16.468 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.940 7.975 -19.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.809 8.754 -20.023 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.991 10.081 -19.926 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.662 9.986 -18.746 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.799 6.959 -18.285 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.656 8.193 -17.010 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.979 7.004 -16.953 1.00 0.00 H new ATOM 1244 N LYS A 76 -13.869 8.654 -16.244 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.704 7.578 -15.640 1.00 0.00 C ATOM 1246 C LYS A 76 -16.063 7.529 -16.341 1.00 0.00 C ATOM 1247 O LYS A 76 -16.617 6.472 -16.571 1.00 0.00 O ATOM 1248 CB LYS A 76 -14.911 7.870 -14.152 1.00 0.00 C ATOM 1249 CG LYS A 76 -13.770 7.245 -13.345 1.00 0.00 C ATOM 1250 CD LYS A 76 -12.854 8.351 -12.817 1.00 0.00 C ATOM 1251 CE LYS A 76 -13.541 9.072 -11.656 1.00 0.00 C ATOM 1252 NZ LYS A 76 -12.564 9.273 -10.550 1.00 0.00 N ATOM 0 H LYS A 76 -13.787 9.504 -15.686 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.200 6.619 -15.758 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.943 8.946 -13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.868 7.467 -13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.173 6.664 -12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.203 6.556 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.907 7.926 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.624 9.059 -13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.931 10.033 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.391 8.488 -11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.030 9.763 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.212 8.350 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.767 9.847 -10.891 1.00 0.00 H new ATOM 1266 N GLU A 77 -16.605 8.666 -16.681 1.00 0.00 N ATOM 1267 CA GLU A 77 -17.928 8.689 -17.365 1.00 0.00 C ATOM 1268 C GLU A 77 -17.900 7.749 -18.571 1.00 0.00 C ATOM 1269 O GLU A 77 -18.911 7.207 -18.972 1.00 0.00 O ATOM 1270 CB GLU A 77 -18.233 10.113 -17.835 1.00 0.00 C ATOM 1271 CG GLU A 77 -18.455 11.015 -16.618 1.00 0.00 C ATOM 1272 CD GLU A 77 -19.441 12.128 -16.980 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -19.038 13.044 -17.678 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -20.581 12.045 -16.554 1.00 0.00 O ATOM 0 H GLU A 77 -16.188 9.582 -16.514 1.00 0.00 H new ATOM 0 HA GLU A 77 -18.701 8.361 -16.670 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.408 10.493 -18.437 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.119 10.116 -18.470 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.842 10.429 -15.784 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.508 11.445 -16.293 1.00 0.00 H new ATOM 1281 N ARG A 78 -16.750 7.551 -19.155 1.00 0.00 N ATOM 1282 CA ARG A 78 -16.661 6.646 -20.335 1.00 0.00 C ATOM 1283 C ARG A 78 -17.467 5.375 -20.065 1.00 0.00 C ATOM 1284 O ARG A 78 -18.330 5.001 -20.834 1.00 0.00 O ATOM 1285 CB ARG A 78 -15.197 6.281 -20.587 1.00 0.00 C ATOM 1286 CG ARG A 78 -14.442 7.516 -21.081 1.00 0.00 C ATOM 1287 CD ARG A 78 -13.069 7.097 -21.612 1.00 0.00 C ATOM 1288 NE ARG A 78 -13.001 7.364 -23.076 1.00 0.00 N ATOM 1289 CZ ARG A 78 -13.029 6.371 -23.923 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -12.152 5.409 -23.830 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -13.935 6.340 -24.861 1.00 0.00 N ATOM 0 H ARG A 78 -15.869 7.976 -18.866 1.00 0.00 H new ATOM 0 HA ARG A 78 -17.065 7.151 -21.213 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.742 5.906 -19.671 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -15.132 5.482 -21.326 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.011 8.013 -21.866 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.326 8.233 -20.269 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.283 7.647 -21.094 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.899 6.038 -21.416 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.933 8.323 -23.417 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.445 5.433 -23.095 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.174 4.633 -24.492 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.621 7.091 -24.932 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.957 5.564 -25.523 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.194 4.706 -18.979 1.00 0.00 N ATOM 1306 CA LEU A 79 -17.949 3.460 -18.665 1.00 0.00 C ATOM 1307 C LEU A 79 -17.220 2.679 -17.569 1.00 0.00 C ATOM 1308 O LEU A 79 -17.008 1.487 -17.681 1.00 0.00 O ATOM 1309 CB LEU A 79 -18.052 2.595 -19.925 1.00 0.00 C ATOM 1310 CG LEU A 79 -19.521 2.443 -20.322 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -19.618 1.667 -21.637 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -20.268 1.680 -19.226 1.00 0.00 C ATOM 0 H LEU A 79 -16.482 4.967 -18.297 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.949 3.721 -18.319 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.490 3.052 -20.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -17.610 1.615 -19.743 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.966 3.430 -20.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -20.665 1.559 -21.919 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.085 2.208 -22.419 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.173 0.680 -21.511 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.315 1.571 -19.508 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.821 0.694 -19.100 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -20.200 2.231 -18.288 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.836 3.340 -16.509 1.00 0.00 N ATOM 1325 CA VAL A 80 -16.125 2.632 -15.407 1.00 0.00 C ATOM 1326 C VAL A 80 -16.813 1.292 -15.136 1.00 0.00 C ATOM 1327 O VAL A 80 -17.937 1.071 -15.541 1.00 0.00 O ATOM 1328 CB VAL A 80 -16.162 3.489 -14.141 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -15.198 2.911 -13.103 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -15.742 4.920 -14.483 1.00 0.00 C ATOM 0 H VAL A 80 -16.984 4.338 -16.360 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.089 2.458 -15.696 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.173 3.492 -13.735 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.225 3.522 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.495 1.891 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.186 2.907 -13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.768 5.532 -13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -14.731 4.915 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.428 5.334 -15.222 1.00 0.00 H new ATOM 1340 N GLY A 81 -16.150 0.397 -14.457 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.774 -0.924 -14.168 1.00 0.00 C ATOM 1342 C GLY A 81 -16.525 -1.873 -15.341 1.00 0.00 C ATOM 1343 O GLY A 81 -16.136 -3.011 -15.159 1.00 0.00 O ATOM 0 H GLY A 81 -15.206 0.523 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.356 -1.343 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.845 -0.804 -14.004 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.749 -1.410 -16.543 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.533 -2.276 -17.738 1.00 0.00 C ATOM 1349 C ARG A 82 -15.254 -3.098 -17.565 1.00 0.00 C ATOM 1350 O ARG A 82 -14.427 -2.812 -16.720 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.406 -1.400 -18.985 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.723 -2.233 -20.227 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.787 -1.520 -21.064 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.662 -2.531 -21.720 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.721 -2.975 -21.101 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.742 -3.024 -19.797 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -20.759 -3.371 -21.786 1.00 0.00 N ATOM 0 H ARG A 82 -17.074 -0.465 -16.748 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.382 -2.952 -17.846 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.088 -0.553 -18.918 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.398 -0.992 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.819 -2.381 -20.818 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.078 -3.221 -19.934 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.383 -0.863 -20.431 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.312 -0.891 -21.817 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.433 -2.876 -22.652 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.930 -2.715 -19.262 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.570 -3.371 -19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.742 -3.333 -22.805 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.587 -3.718 -21.302 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.081 -4.113 -18.364 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.857 -4.952 -18.252 1.00 0.00 C ATOM 1373 C VAL A 83 -12.844 -4.508 -19.308 1.00 0.00 C ATOM 1374 O VAL A 83 -13.204 -3.981 -20.343 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.221 -6.422 -18.478 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.443 -6.783 -17.632 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.544 -6.644 -19.958 1.00 0.00 C ATOM 0 H VAL A 83 -15.737 -4.398 -19.092 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.424 -4.837 -17.258 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.380 -7.052 -18.188 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.701 -7.830 -17.794 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.216 -6.624 -16.578 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.284 -6.153 -17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.803 -7.690 -20.121 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.385 -6.013 -20.246 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.674 -6.388 -20.563 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.581 -4.708 -19.056 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.550 -4.291 -20.048 1.00 0.00 C ATOM 1389 C ILE A 84 -9.316 -5.184 -19.915 1.00 0.00 C ATOM 1390 O ILE A 84 -9.227 -6.013 -19.030 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.153 -2.834 -19.790 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.282 -2.750 -18.531 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.412 -1.983 -19.601 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -10.005 -3.403 -17.351 1.00 0.00 C ATOM 0 H ILE A 84 -11.218 -5.142 -18.207 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.959 -4.386 -21.054 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.588 -2.459 -20.644 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.328 -3.248 -18.705 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.060 -1.708 -18.301 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.127 -0.947 -19.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.026 -2.037 -20.500 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.981 -2.359 -18.750 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.380 -3.339 -16.461 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.947 -2.886 -17.170 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.204 -4.450 -17.580 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.360 -5.019 -20.788 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.129 -5.855 -20.713 1.00 0.00 C ATOM 1408 C LYS A 85 -6.016 -5.059 -20.027 1.00 0.00 C ATOM 1409 O LYS A 85 -5.834 -3.884 -20.278 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.683 -6.236 -22.127 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.469 -7.461 -22.598 1.00 0.00 C ATOM 1412 CD LYS A 85 -7.314 -7.612 -24.113 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.311 -8.727 -24.416 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.666 -8.467 -25.734 1.00 0.00 N ATOM 0 H LYS A 85 -8.378 -4.341 -21.550 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.338 -6.759 -20.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.847 -5.401 -22.809 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.614 -6.451 -22.137 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.106 -8.356 -22.093 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.522 -7.353 -22.338 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.278 -7.843 -24.566 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.973 -6.673 -24.550 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.555 -8.775 -23.632 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.817 -9.692 -24.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.984 -9.224 -25.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.393 -8.442 -26.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.171 -7.553 -25.704 1.00 0.00 H new ATOM 1428 N THR A 86 -5.271 -5.690 -19.162 1.00 0.00 N ATOM 1429 CA THR A 86 -4.170 -4.970 -18.461 1.00 0.00 C ATOM 1430 C THR A 86 -3.039 -5.951 -18.147 1.00 0.00 C ATOM 1431 O THR A 86 -3.164 -7.143 -18.355 1.00 0.00 O ATOM 1432 CB THR A 86 -4.701 -4.370 -17.155 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.348 -5.385 -16.400 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.697 -3.253 -17.469 1.00 0.00 C ATOM 0 H THR A 86 -5.377 -6.673 -18.910 1.00 0.00 H new ATOM 0 HA THR A 86 -3.793 -4.172 -19.101 1.00 0.00 H new ATOM 0 HB THR A 86 -3.871 -3.960 -16.580 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.823 -4.979 -15.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.073 -2.828 -16.538 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.200 -2.475 -18.048 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.529 -3.659 -18.045 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.935 -5.460 -17.647 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.799 -6.367 -17.319 1.00 0.00 C ATOM 1444 C ARG A 87 -0.732 -6.568 -15.804 1.00 0.00 C ATOM 1445 O ARG A 87 -1.232 -5.766 -15.042 1.00 0.00 O ATOM 1446 CB ARG A 87 0.512 -5.748 -17.812 1.00 0.00 C ATOM 1447 CG ARG A 87 0.249 -4.938 -19.084 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.258 -5.869 -20.187 1.00 0.00 C ATOM 1449 NE ARG A 87 0.680 -7.016 -20.339 1.00 0.00 N ATOM 1450 CZ ARG A 87 1.562 -7.015 -21.300 1.00 0.00 C ATOM 1451 NH1 ARG A 87 1.240 -6.565 -22.482 1.00 0.00 N ATOM 1452 NH2 ARG A 87 2.768 -7.463 -21.078 1.00 0.00 N ATOM 0 H ARG A 87 -1.773 -4.472 -17.452 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.949 -7.329 -17.808 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.936 -5.105 -17.040 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.244 -6.531 -18.012 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.486 -4.158 -18.886 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.163 -4.440 -19.406 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.256 -6.232 -19.941 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.339 -5.325 -21.128 1.00 0.00 H new ATOM 0 HE ARG A 87 0.633 -7.803 -19.691 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.298 -6.214 -22.655 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.930 -6.565 -23.233 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.020 -7.813 -20.154 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.458 -7.463 -21.829 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.118 -7.629 -15.359 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.030 -7.875 -13.892 1.00 0.00 C ATOM 1468 C VAL A 88 1.313 -7.370 -13.375 1.00 0.00 C ATOM 1469 O VAL A 88 2.353 -7.644 -13.941 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.148 -9.376 -13.618 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.181 -9.656 -12.149 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.576 -9.836 -13.915 1.00 0.00 C ATOM 0 H VAL A 88 0.326 -8.335 -15.946 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.839 -7.349 -13.385 1.00 0.00 H new ATOM 0 HB VAL A 88 0.551 -9.917 -14.256 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.097 -10.725 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.198 -9.327 -11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.517 -9.115 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.662 -10.905 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.273 -9.294 -13.276 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.812 -9.637 -14.960 1.00 0.00 H new ATOM 1482 N VAL A 89 1.300 -6.621 -12.306 1.00 0.00 N ATOM 1483 CA VAL A 89 2.576 -6.087 -11.763 1.00 0.00 C ATOM 1484 C VAL A 89 3.137 -7.042 -10.704 1.00 0.00 C ATOM 1485 O VAL A 89 4.333 -7.151 -10.528 1.00 0.00 O ATOM 1486 CB VAL A 89 2.333 -4.716 -11.132 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.666 -4.125 -10.670 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.696 -3.786 -12.167 1.00 0.00 C ATOM 0 H VAL A 89 0.462 -6.358 -11.788 1.00 0.00 H new ATOM 0 HA VAL A 89 3.294 -5.992 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 89 1.666 -4.822 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.494 -3.147 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.123 -4.788 -9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.333 -4.018 -11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.522 -2.808 -11.719 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.365 -3.680 -13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.747 -4.207 -12.499 1.00 0.00 H new ATOM 1498 N ARG A 90 2.285 -7.732 -9.996 1.00 0.00 N ATOM 1499 CA ARG A 90 2.779 -8.671 -8.951 1.00 0.00 C ATOM 1500 C ARG A 90 1.627 -9.055 -8.021 1.00 0.00 C ATOM 1501 O ARG A 90 1.178 -8.267 -7.213 1.00 0.00 O ATOM 1502 CB ARG A 90 3.882 -7.993 -8.137 1.00 0.00 C ATOM 1503 CG ARG A 90 5.220 -8.682 -8.413 1.00 0.00 C ATOM 1504 CD ARG A 90 6.040 -8.742 -7.122 1.00 0.00 C ATOM 1505 NE ARG A 90 7.411 -8.215 -7.379 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.203 -7.942 -6.377 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.719 -7.414 -5.287 1.00 0.00 N ATOM 1508 NH2 ARG A 90 9.479 -8.196 -6.469 1.00 0.00 N ATOM 0 H ARG A 90 1.271 -7.686 -10.096 1.00 0.00 H new ATOM 0 HA ARG A 90 3.175 -9.567 -9.429 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.944 -6.937 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.647 -8.044 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.051 -9.688 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.770 -8.137 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.554 -8.156 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.095 -9.769 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 90 7.730 -8.068 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.721 -7.214 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.338 -7.201 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.857 -8.607 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.099 -7.983 -5.687 1.00 0.00 H new ATOM 1522 N ALA A 91 1.144 -10.262 -8.129 1.00 0.00 N ATOM 1523 CA ALA A 91 0.023 -10.698 -7.250 1.00 0.00 C ATOM 1524 C ALA A 91 0.585 -11.192 -5.915 1.00 0.00 C ATOM 1525 O ALA A 91 1.328 -12.152 -5.861 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.750 -11.831 -7.930 1.00 0.00 C ATOM 0 H ALA A 91 1.477 -10.965 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.648 -9.857 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.570 -12.149 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.151 -11.479 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.081 -12.673 -8.108 1.00 0.00 H new ATOM 1532 N ASP A 92 0.236 -10.543 -4.838 1.00 0.00 N ATOM 1533 CA ASP A 92 0.752 -10.974 -3.508 1.00 0.00 C ATOM 1534 C ASP A 92 -0.392 -11.565 -2.681 1.00 0.00 C ATOM 1535 O ASP A 92 -0.377 -11.524 -1.466 1.00 0.00 O ATOM 1536 CB ASP A 92 1.339 -9.767 -2.774 1.00 0.00 C ATOM 1537 CG ASP A 92 2.023 -10.235 -1.489 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.037 -11.431 -1.251 1.00 0.00 O ATOM 1539 OD2 ASP A 92 2.520 -9.389 -0.763 1.00 0.00 O ATOM 0 H ASP A 92 -0.384 -9.733 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 92 1.526 -11.729 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.056 -9.252 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.551 -9.052 -2.539 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.382 -12.117 -3.326 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.522 -12.711 -2.572 1.00 0.00 C ATOM 1546 C GLY A 93 -3.774 -11.855 -2.775 1.00 0.00 C ATOM 1547 O GLY A 93 -3.967 -11.254 -3.812 1.00 0.00 O ATOM 0 H GLY A 93 -1.451 -12.183 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.706 -13.729 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.278 -12.770 -1.511 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.629 -11.799 -1.790 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.870 -10.984 -1.924 1.00 0.00 C ATOM 1553 C LEU A 94 -5.524 -9.621 -2.525 1.00 0.00 C ATOM 1554 O LEU A 94 -6.313 -9.025 -3.230 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.502 -10.788 -0.545 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.216 -12.073 -0.122 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.652 -12.552 1.217 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.714 -11.799 0.024 1.00 0.00 C ATOM 0 H LEU A 94 -4.522 -12.282 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.574 -11.500 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.735 -10.529 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.209 -9.959 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.059 -12.842 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.160 -13.468 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.585 -12.747 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.809 -11.783 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.224 -12.714 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.871 -11.030 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.116 -11.457 -0.930 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.348 -9.125 -2.253 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.951 -7.800 -2.810 1.00 0.00 C ATOM 1572 C TYR A 95 -2.999 -8.011 -3.990 1.00 0.00 C ATOM 1573 O TYR A 95 -2.086 -8.811 -3.927 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.252 -6.978 -1.726 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.270 -6.120 -1.013 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.629 -4.875 -1.545 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.858 -6.571 0.176 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.576 -4.078 -0.885 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.804 -5.776 0.835 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.163 -4.529 0.304 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.096 -3.746 0.954 1.00 0.00 O ATOM 0 H TYR A 95 -3.645 -9.579 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.838 -7.266 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.756 -7.639 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.479 -6.351 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.177 -4.529 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.582 -7.532 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.852 -3.117 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.257 -6.123 1.752 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.404 -4.207 1.762 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.209 -7.307 -5.068 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.321 -7.475 -6.253 1.00 0.00 C ATOM 1593 C VAL A 96 -2.086 -6.117 -6.918 1.00 0.00 C ATOM 1594 O VAL A 96 -2.910 -5.226 -6.844 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.993 -8.419 -7.254 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.067 -8.646 -8.449 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.286 -9.758 -6.574 1.00 0.00 C ATOM 0 H VAL A 96 -3.957 -6.623 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.365 -7.891 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.926 -7.974 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.548 -9.318 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.860 -7.693 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.132 -9.089 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.764 -10.431 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.353 -10.201 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.950 -9.597 -5.724 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.971 -5.954 -7.577 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.691 -4.656 -8.254 1.00 0.00 C ATOM 1609 C ASP A 97 -1.057 -4.785 -9.731 1.00 0.00 C ATOM 1610 O ASP A 97 -0.998 -5.856 -10.302 1.00 0.00 O ATOM 1611 CB ASP A 97 0.795 -4.315 -8.121 1.00 0.00 C ATOM 1612 CG ASP A 97 1.110 -3.963 -6.665 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.502 -3.035 -6.156 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.954 -4.627 -6.085 1.00 0.00 O ATOM 0 H ASP A 97 -0.243 -6.662 -7.676 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.279 -3.863 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.403 -5.161 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.046 -3.477 -8.771 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.454 -3.711 -10.354 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.842 -3.796 -11.788 1.00 0.00 C ATOM 1621 C LEU A 98 -1.271 -2.614 -12.567 1.00 0.00 C ATOM 1622 O LEU A 98 -1.317 -1.477 -12.129 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.366 -3.779 -11.898 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.837 -5.011 -12.670 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.435 -4.871 -14.139 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.183 -6.264 -12.080 1.00 0.00 C ATOM 0 H LEU A 98 -1.526 -2.784 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.444 -4.721 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.813 -3.768 -10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.694 -2.872 -12.405 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.921 -5.097 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.769 -5.748 -14.693 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.898 -3.978 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.351 -4.787 -14.213 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.519 -7.143 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.099 -6.179 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.465 -6.363 -11.032 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.745 -2.877 -13.732 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.181 -1.780 -14.563 1.00 0.00 C ATOM 1640 C ARG A 99 -0.868 -1.792 -15.929 1.00 0.00 C ATOM 1641 O ARG A 99 -0.730 -2.724 -16.699 1.00 0.00 O ATOM 1642 CB ARG A 99 1.325 -1.993 -14.741 1.00 0.00 C ATOM 1643 CG ARG A 99 1.584 -3.398 -15.287 1.00 0.00 C ATOM 1644 CD ARG A 99 3.062 -3.752 -15.109 1.00 0.00 C ATOM 1645 NE ARG A 99 3.646 -4.127 -16.427 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.942 -4.204 -16.568 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.677 -3.136 -16.425 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.501 -5.348 -16.855 1.00 0.00 N ATOM 0 H ARG A 99 -0.682 -3.808 -14.144 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.349 -0.820 -14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.730 -1.246 -15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.836 -1.863 -13.787 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.960 -4.123 -14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.312 -3.445 -16.342 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.602 -2.904 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.167 -4.577 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 99 3.034 -4.324 -17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.239 -2.242 -16.203 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.689 -3.195 -16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.926 -6.182 -16.969 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.513 -5.408 -16.965 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.611 -0.765 -16.237 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.308 -0.718 -17.552 1.00 0.00 C ATOM 1664 C ARG A 100 -1.324 -1.095 -18.660 1.00 0.00 C ATOM 1665 O ARG A 100 -0.123 -1.015 -18.489 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.839 0.694 -17.802 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.368 0.794 -19.233 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.027 2.157 -19.441 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.505 2.013 -19.335 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.263 3.075 -19.288 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.487 3.766 -20.371 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.795 3.446 -18.156 1.00 0.00 N ATOM 0 H ARG A 100 -1.765 0.043 -15.635 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.141 -1.421 -17.547 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.633 0.926 -17.092 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.046 1.425 -17.644 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.552 0.661 -19.943 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.088 -0.002 -19.422 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.665 2.866 -18.696 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.759 2.558 -20.419 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.926 1.084 -19.299 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.070 3.477 -21.256 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.079 4.596 -20.333 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.619 2.907 -17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.387 4.276 -18.118 1.00 0.00 H new ATOM 1686 N PHE A 101 -1.820 -1.506 -19.792 1.00 0.00 N ATOM 1687 CA PHE A 101 -0.911 -1.887 -20.908 1.00 0.00 C ATOM 1688 C PHE A 101 -0.618 -0.657 -21.769 1.00 0.00 C ATOM 1689 O PHE A 101 -1.494 -0.114 -22.411 1.00 0.00 O ATOM 1690 CB PHE A 101 -1.581 -2.963 -21.765 1.00 0.00 C ATOM 1691 CG PHE A 101 -0.739 -3.228 -22.988 1.00 0.00 C ATOM 1692 CD1 PHE A 101 0.659 -3.229 -22.892 1.00 0.00 C ATOM 1693 CD2 PHE A 101 -1.356 -3.473 -24.221 1.00 0.00 C ATOM 1694 CE1 PHE A 101 1.440 -3.474 -24.030 1.00 0.00 C ATOM 1695 CE2 PHE A 101 -0.577 -3.718 -25.359 1.00 0.00 C ATOM 1696 CZ PHE A 101 0.821 -3.719 -25.264 1.00 0.00 C ATOM 0 H PHE A 101 -2.816 -1.595 -19.993 1.00 0.00 H new ATOM 0 HA PHE A 101 0.023 -2.276 -20.501 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.702 -3.880 -21.188 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.579 -2.639 -22.061 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.135 -3.041 -21.941 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.433 -3.473 -24.295 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.517 -3.474 -23.956 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -1.054 -3.906 -26.310 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.422 -3.908 -26.141 1.00 0.00 H new ATOM 1706 N PHE A 102 0.609 -0.214 -21.789 1.00 0.00 N ATOM 1707 CA PHE A 102 0.957 0.981 -22.610 1.00 0.00 C ATOM 1708 C PHE A 102 2.460 1.245 -22.512 1.00 0.00 C ATOM 1709 O PHE A 102 2.884 1.767 -21.493 1.00 0.00 O ATOM 1710 CB PHE A 102 0.190 2.199 -22.089 1.00 0.00 C ATOM 1711 CG PHE A 102 -0.615 2.812 -23.211 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -0.112 2.806 -24.519 1.00 0.00 C ATOM 1713 CD2 PHE A 102 -1.864 3.387 -22.943 1.00 0.00 C ATOM 1714 CE1 PHE A 102 -0.859 3.376 -25.559 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -2.611 3.956 -23.984 1.00 0.00 C ATOM 1716 CZ PHE A 102 -2.109 3.950 -25.292 1.00 0.00 C ATOM 1717 OXT PHE A 102 3.162 0.921 -23.455 1.00 0.00 O ATOM 0 H PHE A 102 1.386 -0.627 -21.273 1.00 0.00 H new ATOM 0 HA PHE A 102 0.686 0.799 -23.650 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.471 1.903 -21.274 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.886 2.934 -21.685 1.00 0.00 H new ATOM 0 HD1 PHE A 102 0.851 2.362 -24.726 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.251 3.392 -21.935 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.471 3.373 -26.567 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.574 4.399 -23.778 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.685 4.388 -26.094 1.00 0.00 H new TER 1727 PHE A 102