USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 27 GLN : amide:sc= -0.0341 K(o=-0.069,f=1.4) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= -0.0353 USER MOD Set 2.1: A 26 THR OG1 : rot 88:sc= 1.15 USER MOD Set 2.2: A 29 MET CE :methyl -123:sc= -5.26! (180deg=-12.4!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.184 (180deg=-0.892) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.035 (180deg=-0.471) USER MOD Single : A 2 SER OG : rot 31:sc= 0.48 USER MOD Single : A 5 LYS NZ :NH3+ -122:sc= 0.175 (180deg=-0.401) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.101 (180deg=-0.491) USER MOD Single : A 10 ASN : amide:sc= -0.691 K(o=-0.69,f=-2.9!) USER MOD Single : A 13 MET CE :methyl 138:sc= -0.526 (180deg=-3.32!) USER MOD Single : A 14 SER OG : rot -61:sc= 1.19 USER MOD Single : A 17 MET CE :methyl -113:sc= -2.32 (180deg=-6.46!) USER MOD Single : A 18 GLN : amide:sc= -6.9! K(o=-6.9!,f=-5.4) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 73:sc= 0.425 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0209 (180deg=-0.213) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0309 (180deg=-0.268) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= -1.41! (180deg=-7.8!) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc=-0.00141 (180deg=-0.122) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3.28! C(o=-3.3!,f=-6.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 55 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-1.2) USER MOD Single : A 56 CYS SG : rot -140:sc= -2.36 USER MOD Single : A 61 ASN : amide:sc= -5.04! C(o=-5!,f=-1.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -108:sc= 0.0193 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0.0706 K(o=0.071,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.31! K(o=-1.3!,f=-0.037) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -4.43! C(o=-4.4!,f=-3.7!) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 0.73 (180deg=0.51) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.729 21.360 3.272 1.00 0.00 N ATOM 2 CA MET A 1 11.309 21.257 4.694 1.00 0.00 C ATOM 3 C MET A 1 10.919 19.826 5.052 1.00 0.00 C ATOM 4 O MET A 1 11.095 18.906 4.253 1.00 0.00 O ATOM 5 CB MET A 1 10.125 22.200 4.918 1.00 0.00 C ATOM 6 CG MET A 1 10.443 23.657 4.628 1.00 0.00 C ATOM 7 SD MET A 1 9.030 24.744 4.891 1.00 0.00 S ATOM 8 CE MET A 1 8.692 24.447 6.624 1.00 0.00 C ATOM 0 H1 MET A 1 12.557 21.985 3.199 1.00 0.00 H new ATOM 0 H2 MET A 1 11.976 20.415 2.914 1.00 0.00 H new ATOM 0 H3 MET A 1 10.948 21.751 2.707 1.00 0.00 H new ATOM 0 HA MET A 1 12.143 21.539 5.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.296 21.885 4.285 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.789 22.109 5.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.267 23.978 5.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.782 23.752 3.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.090 25.264 7.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.148 23.509 6.733 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.632 24.388 7.173 1.00 0.00 H new ATOM 20 N SER A 2 10.389 19.647 6.257 1.00 0.00 N ATOM 21 CA SER A 2 9.973 18.328 6.721 1.00 0.00 C ATOM 22 C SER A 2 8.911 17.736 5.801 1.00 0.00 C ATOM 23 O SER A 2 7.817 18.284 5.667 1.00 0.00 O ATOM 24 CB SER A 2 9.431 18.417 8.149 1.00 0.00 C ATOM 25 OG SER A 2 8.315 19.286 8.220 1.00 0.00 O ATOM 0 H SER A 2 10.237 20.398 6.930 1.00 0.00 H new ATOM 0 HA SER A 2 10.845 17.674 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.144 17.424 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.215 18.773 8.817 1.00 0.00 H new ATOM 0 HG SER A 2 7.826 19.261 7.371 1.00 0.00 H new ATOM 31 N ASP A 3 9.239 16.613 5.167 1.00 0.00 N ATOM 32 CA ASP A 3 8.308 15.949 4.260 1.00 0.00 C ATOM 33 C ASP A 3 8.905 14.656 3.710 1.00 0.00 C ATOM 34 O ASP A 3 9.707 14.677 2.777 1.00 0.00 O ATOM 35 CB ASP A 3 7.936 16.883 3.107 1.00 0.00 C ATOM 36 CG ASP A 3 6.940 16.256 2.151 1.00 0.00 C ATOM 37 OD1 ASP A 3 5.827 15.907 2.597 1.00 0.00 O ATOM 38 OD2 ASP A 3 7.273 16.113 0.954 1.00 0.00 O ATOM 0 H ASP A 3 10.140 16.145 5.264 1.00 0.00 H new ATOM 0 HA ASP A 3 7.409 15.699 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.517 17.805 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.838 17.156 2.559 1.00 0.00 H new ATOM 43 N ARG A 4 8.500 13.529 4.290 1.00 0.00 N ATOM 44 CA ARG A 4 8.984 12.225 3.853 1.00 0.00 C ATOM 45 C ARG A 4 7.921 11.507 3.030 1.00 0.00 C ATOM 46 O ARG A 4 6.843 12.048 2.785 1.00 0.00 O ATOM 47 CB ARG A 4 9.381 11.362 5.053 1.00 0.00 C ATOM 48 CG ARG A 4 10.658 11.814 5.749 1.00 0.00 C ATOM 49 CD ARG A 4 10.512 13.192 6.373 1.00 0.00 C ATOM 50 NE ARG A 4 11.712 13.584 7.108 1.00 0.00 N ATOM 51 CZ ARG A 4 11.834 14.733 7.769 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.832 15.603 7.795 1.00 0.00 N ATOM 53 NH2 ARG A 4 12.962 15.012 8.409 1.00 0.00 N ATOM 0 H ARG A 4 7.837 13.494 5.064 1.00 0.00 H new ATOM 0 HA ARG A 4 9.865 12.386 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.565 11.366 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.507 10.332 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.924 11.093 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.477 11.827 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.308 13.925 5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.655 13.197 7.047 1.00 0.00 H new ATOM 0 HE ARG A 4 12.503 12.940 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.962 15.393 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.932 16.481 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.735 14.346 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.057 15.892 8.916 1.00 0.00 H new ATOM 67 N LYS A 5 8.228 10.285 2.608 1.00 0.00 N ATOM 68 CA LYS A 5 7.293 9.498 1.815 1.00 0.00 C ATOM 69 C LYS A 5 7.210 8.064 2.331 1.00 0.00 C ATOM 70 O LYS A 5 7.330 7.108 1.564 1.00 0.00 O ATOM 71 CB LYS A 5 7.711 9.504 0.343 1.00 0.00 C ATOM 72 CG LYS A 5 7.728 10.890 -0.281 1.00 0.00 C ATOM 73 CD LYS A 5 6.348 11.526 -0.265 1.00 0.00 C ATOM 74 CE LYS A 5 6.368 12.913 -0.887 1.00 0.00 C ATOM 75 NZ LYS A 5 5.018 13.543 -0.885 1.00 0.00 N ATOM 0 H LYS A 5 9.115 9.820 2.802 1.00 0.00 H new ATOM 0 HA LYS A 5 6.306 9.951 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.704 9.063 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.029 8.869 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.429 11.525 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.087 10.823 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.647 10.892 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.988 11.591 0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.065 13.547 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.736 12.846 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.744 13.780 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.326 12.879 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.040 14.410 -0.311 1.00 0.00 H new ATOM 89 N ALA A 6 7.002 7.922 3.636 1.00 0.00 N ATOM 90 CA ALA A 6 6.901 6.605 4.257 1.00 0.00 C ATOM 91 C ALA A 6 6.608 6.724 5.748 1.00 0.00 C ATOM 92 O ALA A 6 7.422 7.244 6.511 1.00 0.00 O ATOM 93 CB ALA A 6 8.182 5.814 4.032 1.00 0.00 C ATOM 0 H ALA A 6 6.900 8.703 4.285 1.00 0.00 H new ATOM 0 HA ALA A 6 6.072 6.073 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.092 4.834 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.350 5.690 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.023 6.350 4.472 1.00 0.00 H new ATOM 99 N VAL A 7 5.439 6.241 6.159 1.00 0.00 N ATOM 100 CA VAL A 7 5.040 6.299 7.560 1.00 0.00 C ATOM 101 C VAL A 7 4.025 5.207 7.888 1.00 0.00 C ATOM 102 O VAL A 7 2.826 5.376 7.668 1.00 0.00 O ATOM 103 CB VAL A 7 4.433 7.672 7.914 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.090 7.744 9.394 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.384 8.793 7.525 1.00 0.00 C ATOM 0 H VAL A 7 4.753 5.806 5.542 1.00 0.00 H new ATOM 0 HA VAL A 7 5.941 6.144 8.153 1.00 0.00 H new ATOM 0 HB VAL A 7 3.510 7.795 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.663 8.721 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.366 6.966 9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.994 7.597 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.938 9.754 7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.325 8.674 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.571 8.756 6.452 1.00 0.00 H new ATOM 115 N ILE A 8 4.511 4.091 8.422 1.00 0.00 N ATOM 116 CA ILE A 8 3.642 2.978 8.785 1.00 0.00 C ATOM 117 C ILE A 8 2.944 3.241 10.116 1.00 0.00 C ATOM 118 O ILE A 8 3.582 3.283 11.168 1.00 0.00 O ATOM 119 CB ILE A 8 4.427 1.649 8.864 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.948 1.263 7.479 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.556 0.534 9.431 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.757 -0.012 7.474 1.00 0.00 C ATOM 0 H ILE A 8 5.501 3.934 8.613 1.00 0.00 H new ATOM 0 HA ILE A 8 2.890 2.890 8.001 1.00 0.00 H new ATOM 0 HB ILE A 8 5.274 1.791 9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.103 1.150 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.562 2.075 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.132 -0.390 9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.225 0.805 10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.687 0.389 8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.094 -0.225 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.622 0.103 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.140 -0.836 7.831 1.00 0.00 H new ATOM 134 N LYS A 9 1.631 3.418 10.055 1.00 0.00 N ATOM 135 CA LYS A 9 0.833 3.677 11.243 1.00 0.00 C ATOM 136 C LYS A 9 0.524 2.381 11.985 1.00 0.00 C ATOM 137 O LYS A 9 0.415 2.365 13.211 1.00 0.00 O ATOM 138 CB LYS A 9 -0.462 4.370 10.836 1.00 0.00 C ATOM 139 CG LYS A 9 -1.322 4.807 12.004 1.00 0.00 C ATOM 140 CD LYS A 9 -2.567 5.517 11.511 1.00 0.00 C ATOM 141 CE LYS A 9 -3.513 4.558 10.808 1.00 0.00 C ATOM 142 NZ LYS A 9 -3.962 3.460 11.707 1.00 0.00 N ATOM 0 H LYS A 9 1.094 3.386 9.188 1.00 0.00 H new ATOM 0 HA LYS A 9 1.399 4.322 11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.220 5.243 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.040 3.695 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.603 3.939 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.752 5.470 12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.079 5.983 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.284 6.317 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.382 5.107 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.016 4.133 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.815 3.015 11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.208 2.749 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.177 3.848 12.648 1.00 0.00 H new ATOM 156 N ASN A 10 0.386 1.296 11.230 1.00 0.00 N ATOM 157 CA ASN A 10 0.090 -0.010 11.807 1.00 0.00 C ATOM 158 C ASN A 10 0.266 -1.109 10.766 1.00 0.00 C ATOM 159 O ASN A 10 -0.464 -1.164 9.778 1.00 0.00 O ATOM 160 CB ASN A 10 -1.337 -0.035 12.359 1.00 0.00 C ATOM 161 CG ASN A 10 -1.693 -1.373 12.982 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.663 -2.409 12.317 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.035 -1.356 14.264 1.00 0.00 N ATOM 0 H ASN A 10 0.475 1.296 10.214 1.00 0.00 H new ATOM 0 HA ASN A 10 0.789 -0.190 12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.449 0.751 13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.039 0.187 11.555 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.286 -2.224 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.046 -0.475 14.777 1.00 0.00 H new ATOM 170 N ALA A 11 1.243 -1.981 10.991 1.00 0.00 N ATOM 171 CA ALA A 11 1.511 -3.075 10.066 1.00 0.00 C ATOM 172 C ALA A 11 1.186 -4.425 10.691 1.00 0.00 C ATOM 173 O ALA A 11 1.786 -4.820 11.690 1.00 0.00 O ATOM 174 CB ALA A 11 2.962 -3.037 9.612 1.00 0.00 C ATOM 0 H ALA A 11 1.860 -1.952 11.803 1.00 0.00 H new ATOM 0 HA ALA A 11 0.864 -2.946 9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.149 -3.859 8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.162 -2.090 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.617 -3.134 10.478 1.00 0.00 H new ATOM 180 N ASP A 12 0.233 -5.128 10.091 1.00 0.00 N ATOM 181 CA ASP A 12 -0.177 -6.440 10.576 1.00 0.00 C ATOM 182 C ASP A 12 0.453 -7.552 9.736 1.00 0.00 C ATOM 183 O ASP A 12 0.445 -8.719 10.126 1.00 0.00 O ATOM 184 CB ASP A 12 -1.703 -6.555 10.547 1.00 0.00 C ATOM 185 CG ASP A 12 -2.207 -7.878 11.097 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.913 -8.927 10.486 1.00 0.00 O ATOM 187 OD2 ASP A 12 -2.896 -7.863 12.138 1.00 0.00 O ATOM 0 H ASP A 12 -0.272 -4.810 9.264 1.00 0.00 H new ATOM 0 HA ASP A 12 0.169 -6.552 11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.135 -5.739 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.052 -6.437 9.521 1.00 0.00 H new ATOM 192 N MET A 13 1.005 -7.180 8.582 1.00 0.00 N ATOM 193 CA MET A 13 1.638 -8.144 7.693 1.00 0.00 C ATOM 194 C MET A 13 3.003 -8.563 8.246 1.00 0.00 C ATOM 195 O MET A 13 3.481 -7.992 9.226 1.00 0.00 O ATOM 196 CB MET A 13 1.768 -7.544 6.288 1.00 0.00 C ATOM 197 CG MET A 13 2.222 -8.535 5.231 1.00 0.00 C ATOM 198 SD MET A 13 1.173 -9.999 5.153 1.00 0.00 S ATOM 199 CE MET A 13 -0.410 -9.261 4.758 1.00 0.00 C ATOM 0 H MET A 13 1.025 -6.218 8.244 1.00 0.00 H new ATOM 0 HA MET A 13 1.017 -9.038 7.630 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.805 -7.128 5.991 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.476 -6.716 6.322 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.227 -8.045 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.248 -8.839 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.916 -9.866 4.006 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.023 -9.212 5.658 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.255 -8.254 4.370 1.00 0.00 H new ATOM 209 N SER A 14 3.613 -9.577 7.636 1.00 0.00 N ATOM 210 CA SER A 14 4.907 -10.091 8.091 1.00 0.00 C ATOM 211 C SER A 14 6.080 -9.159 7.760 1.00 0.00 C ATOM 212 O SER A 14 7.171 -9.629 7.438 1.00 0.00 O ATOM 213 CB SER A 14 5.161 -11.468 7.480 1.00 0.00 C ATOM 214 OG SER A 14 6.402 -11.998 7.913 1.00 0.00 O ATOM 0 H SER A 14 3.232 -10.061 6.823 1.00 0.00 H new ATOM 0 HA SER A 14 4.851 -10.158 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.355 -12.147 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.154 -11.394 6.393 1.00 0.00 H new ATOM 0 HG SER A 14 7.128 -11.404 7.629 1.00 0.00 H new ATOM 220 N GLU A 15 5.867 -7.850 7.865 1.00 0.00 N ATOM 221 CA GLU A 15 6.926 -6.864 7.607 1.00 0.00 C ATOM 222 C GLU A 15 7.337 -6.797 6.135 1.00 0.00 C ATOM 223 O GLU A 15 7.525 -5.708 5.590 1.00 0.00 O ATOM 224 CB GLU A 15 8.153 -7.163 8.471 1.00 0.00 C ATOM 225 CG GLU A 15 7.860 -7.161 9.963 1.00 0.00 C ATOM 226 CD GLU A 15 9.090 -7.461 10.802 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.173 -7.669 10.217 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.967 -7.487 12.045 1.00 0.00 O ATOM 0 H GLU A 15 4.970 -7.441 8.127 1.00 0.00 H new ATOM 0 HA GLU A 15 6.512 -5.891 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.557 -8.135 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.925 -6.423 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.458 -6.189 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.089 -7.900 10.179 1.00 0.00 H new ATOM 235 N ASP A 16 7.498 -7.949 5.500 1.00 0.00 N ATOM 236 CA ASP A 16 7.909 -8.002 4.100 1.00 0.00 C ATOM 237 C ASP A 16 7.131 -7.007 3.248 1.00 0.00 C ATOM 238 O ASP A 16 7.696 -6.360 2.367 1.00 0.00 O ATOM 239 CB ASP A 16 7.727 -9.417 3.547 1.00 0.00 C ATOM 240 CG ASP A 16 8.552 -10.444 4.299 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.794 -10.307 4.320 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.957 -11.382 4.867 1.00 0.00 O ATOM 0 H ASP A 16 7.351 -8.862 5.931 1.00 0.00 H new ATOM 0 HA ASP A 16 8.963 -7.730 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.674 -9.692 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.007 -9.431 2.494 1.00 0.00 H new ATOM 247 N MET A 17 5.836 -6.882 3.513 1.00 0.00 N ATOM 248 CA MET A 17 5.005 -5.956 2.755 1.00 0.00 C ATOM 249 C MET A 17 5.318 -4.514 3.119 1.00 0.00 C ATOM 250 O MET A 17 5.153 -3.616 2.300 1.00 0.00 O ATOM 251 CB MET A 17 3.519 -6.264 2.948 1.00 0.00 C ATOM 252 CG MET A 17 3.048 -7.466 2.142 1.00 0.00 C ATOM 253 SD MET A 17 3.958 -8.973 2.537 1.00 0.00 S ATOM 254 CE MET A 17 3.223 -10.128 1.382 1.00 0.00 C ATOM 0 H MET A 17 5.344 -7.404 4.238 1.00 0.00 H new ATOM 0 HA MET A 17 5.238 -6.089 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.326 -6.445 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.933 -5.390 2.662 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.986 -7.629 2.328 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.156 -7.250 1.079 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.657 -10.881 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.555 -9.592 0.707 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.009 -10.615 0.804 1.00 0.00 H new ATOM 264 N GLN A 18 5.809 -4.287 4.328 1.00 0.00 N ATOM 265 CA GLN A 18 6.180 -2.941 4.728 1.00 0.00 C ATOM 266 C GLN A 18 7.339 -2.479 3.858 1.00 0.00 C ATOM 267 O GLN A 18 7.355 -1.352 3.365 1.00 0.00 O ATOM 268 CB GLN A 18 6.553 -2.911 6.210 1.00 0.00 C ATOM 269 CG GLN A 18 5.359 -3.141 7.121 1.00 0.00 C ATOM 270 CD GLN A 18 5.750 -3.437 8.552 1.00 0.00 C ATOM 271 OE1 GLN A 18 6.459 -2.660 9.192 1.00 0.00 O ATOM 272 NE2 GLN A 18 5.279 -4.568 9.059 1.00 0.00 N ATOM 0 H GLN A 18 5.958 -5.005 5.037 1.00 0.00 H new ATOM 0 HA GLN A 18 5.337 -2.263 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.306 -3.674 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.005 -1.948 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.719 -2.259 7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.769 -3.971 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.695 -5.179 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.501 -4.827 10.020 1.00 0.00 H new ATOM 281 N GLN A 19 8.293 -3.381 3.640 1.00 0.00 N ATOM 282 CA GLN A 19 9.445 -3.081 2.803 1.00 0.00 C ATOM 283 C GLN A 19 9.080 -3.134 1.324 1.00 0.00 C ATOM 284 O GLN A 19 9.525 -2.299 0.533 1.00 0.00 O ATOM 285 CB GLN A 19 10.584 -4.060 3.097 1.00 0.00 C ATOM 286 CG GLN A 19 11.066 -4.017 4.538 1.00 0.00 C ATOM 287 CD GLN A 19 12.190 -4.998 4.806 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.028 -6.207 4.637 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.339 -4.482 5.228 1.00 0.00 N ATOM 0 H GLN A 19 8.289 -4.323 4.032 1.00 0.00 H new ATOM 0 HA GLN A 19 9.775 -2.069 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.252 -5.072 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.422 -3.839 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.405 -3.008 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.231 -4.236 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.429 -3.474 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.131 -5.094 5.426 1.00 0.00 H new ATOM 298 N ASP A 20 8.261 -4.115 0.951 1.00 0.00 N ATOM 299 CA ASP A 20 7.843 -4.263 -0.438 1.00 0.00 C ATOM 300 C ASP A 20 6.882 -3.153 -0.837 1.00 0.00 C ATOM 301 O ASP A 20 7.135 -2.409 -1.780 1.00 0.00 O ATOM 302 CB ASP A 20 7.189 -5.628 -0.663 1.00 0.00 C ATOM 303 CG ASP A 20 8.164 -6.777 -0.488 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.203 -6.782 -1.179 1.00 0.00 O ATOM 305 OD2 ASP A 20 7.883 -7.676 0.332 1.00 0.00 O ATOM 0 H ASP A 20 7.877 -4.814 1.587 1.00 0.00 H new ATOM 0 HA ASP A 20 8.733 -4.193 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.361 -5.750 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.767 -5.664 -1.667 1.00 0.00 H new ATOM 310 N ALA A 21 5.777 -3.048 -0.109 1.00 0.00 N ATOM 311 CA ALA A 21 4.769 -2.032 -0.381 1.00 0.00 C ATOM 312 C ALA A 21 5.372 -0.631 -0.381 1.00 0.00 C ATOM 313 O ALA A 21 5.150 0.144 -1.314 1.00 0.00 O ATOM 314 CB ALA A 21 3.639 -2.122 0.633 1.00 0.00 C ATOM 0 H ALA A 21 5.556 -3.658 0.678 1.00 0.00 H new ATOM 0 HA ALA A 21 4.367 -2.221 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.894 -1.356 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.175 -3.107 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.037 -1.967 1.636 1.00 0.00 H new ATOM 320 N VAL A 22 6.133 -0.301 0.662 1.00 0.00 N ATOM 321 CA VAL A 22 6.750 1.018 0.750 1.00 0.00 C ATOM 322 C VAL A 22 7.641 1.297 -0.459 1.00 0.00 C ATOM 323 O VAL A 22 7.588 2.384 -1.035 1.00 0.00 O ATOM 324 CB VAL A 22 7.565 1.178 2.051 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.378 2.464 2.035 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.640 1.153 3.258 1.00 0.00 C ATOM 0 H VAL A 22 6.334 -0.921 1.447 1.00 0.00 H new ATOM 0 HA VAL A 22 5.939 1.746 0.760 1.00 0.00 H new ATOM 0 HB VAL A 22 8.260 0.341 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.942 2.550 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.069 2.447 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.707 3.317 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.227 1.267 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.923 1.971 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.105 0.203 3.287 1.00 0.00 H new ATOM 336 N ASP A 23 8.454 0.318 -0.846 1.00 0.00 N ATOM 337 CA ASP A 23 9.343 0.491 -1.991 1.00 0.00 C ATOM 338 C ASP A 23 8.563 0.439 -3.296 1.00 0.00 C ATOM 339 O ASP A 23 8.926 1.100 -4.268 1.00 0.00 O ATOM 340 CB ASP A 23 10.445 -0.571 -1.986 1.00 0.00 C ATOM 341 CG ASP A 23 11.299 -0.515 -0.733 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.032 0.347 0.132 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.234 -1.333 -0.618 1.00 0.00 O ATOM 0 H ASP A 23 8.516 -0.592 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 23 9.809 1.473 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.993 -1.559 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.080 -0.435 -2.861 1.00 0.00 H new ATOM 348 N CYS A 24 7.477 -0.321 -3.311 1.00 0.00 N ATOM 349 CA CYS A 24 6.646 -0.406 -4.501 1.00 0.00 C ATOM 350 C CYS A 24 5.892 0.901 -4.671 1.00 0.00 C ATOM 351 O CYS A 24 5.646 1.351 -5.789 1.00 0.00 O ATOM 352 CB CYS A 24 5.669 -1.581 -4.409 1.00 0.00 C ATOM 353 SG CYS A 24 6.461 -3.207 -4.458 1.00 0.00 S ATOM 0 H CYS A 24 7.154 -0.881 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 24 7.283 -0.578 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.099 -1.494 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.956 -1.511 -5.230 1.00 0.00 H new ATOM 0 HG CYS A 24 7.074 -3.425 -3.333 1.00 0.00 H new ATOM 359 N ALA A 25 5.553 1.517 -3.544 1.00 0.00 N ATOM 360 CA ALA A 25 4.856 2.789 -3.550 1.00 0.00 C ATOM 361 C ALA A 25 5.841 3.929 -3.776 1.00 0.00 C ATOM 362 O ALA A 25 5.469 4.991 -4.274 1.00 0.00 O ATOM 363 CB ALA A 25 4.100 2.988 -2.244 1.00 0.00 C ATOM 0 H ALA A 25 5.752 1.151 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 25 4.134 2.787 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.583 3.947 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.372 2.186 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.803 2.973 -1.411 1.00 0.00 H new ATOM 369 N THR A 26 7.110 3.697 -3.420 1.00 0.00 N ATOM 370 CA THR A 26 8.144 4.705 -3.600 1.00 0.00 C ATOM 371 C THR A 26 8.635 4.693 -5.041 1.00 0.00 C ATOM 372 O THR A 26 8.802 5.743 -5.663 1.00 0.00 O ATOM 373 CB THR A 26 9.310 4.454 -2.643 1.00 0.00 C ATOM 374 OG1 THR A 26 8.873 4.497 -1.298 1.00 0.00 O ATOM 375 CG2 THR A 26 10.435 5.457 -2.791 1.00 0.00 C ATOM 0 H THR A 26 7.438 2.823 -3.008 1.00 0.00 H new ATOM 0 HA THR A 26 7.720 5.684 -3.377 1.00 0.00 H new ATOM 0 HB THR A 26 9.689 3.466 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.562 3.608 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.229 5.220 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.830 5.414 -3.806 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.057 6.460 -2.591 1.00 0.00 H new ATOM 383 N GLN A 27 8.849 3.494 -5.570 1.00 0.00 N ATOM 384 CA GLN A 27 9.304 3.339 -6.943 1.00 0.00 C ATOM 385 C GLN A 27 8.163 3.608 -7.913 1.00 0.00 C ATOM 386 O GLN A 27 8.388 4.006 -9.054 1.00 0.00 O ATOM 387 CB GLN A 27 9.866 1.933 -7.166 1.00 0.00 C ATOM 388 CG GLN A 27 10.370 1.696 -8.580 1.00 0.00 C ATOM 389 CD GLN A 27 10.924 0.298 -8.774 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.873 -0.105 -8.104 1.00 0.00 O ATOM 391 NE2 GLN A 27 10.330 -0.450 -9.698 1.00 0.00 N ATOM 0 H GLN A 27 8.714 2.616 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 27 10.097 4.064 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.683 1.762 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.091 1.201 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.555 1.861 -9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.145 2.426 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.545 -0.075 -10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.659 -1.399 -9.874 1.00 0.00 H new ATOM 400 N ALA A 28 6.935 3.393 -7.451 1.00 0.00 N ATOM 401 CA ALA A 28 5.761 3.622 -8.284 1.00 0.00 C ATOM 402 C ALA A 28 5.424 5.107 -8.361 1.00 0.00 C ATOM 403 O ALA A 28 5.040 5.609 -9.416 1.00 0.00 O ATOM 404 CB ALA A 28 4.571 2.836 -7.755 1.00 0.00 C ATOM 0 H ALA A 28 6.728 3.062 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 28 5.990 3.274 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.703 3.019 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.806 1.772 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.349 3.153 -6.736 1.00 0.00 H new ATOM 410 N MET A 29 5.565 5.805 -7.237 1.00 0.00 N ATOM 411 CA MET A 29 5.266 7.232 -7.190 1.00 0.00 C ATOM 412 C MET A 29 6.389 8.048 -7.820 1.00 0.00 C ATOM 413 O MET A 29 6.159 9.145 -8.329 1.00 0.00 O ATOM 414 CB MET A 29 5.034 7.687 -5.746 1.00 0.00 C ATOM 415 CG MET A 29 6.282 7.645 -4.879 1.00 0.00 C ATOM 416 SD MET A 29 5.947 8.103 -3.168 1.00 0.00 S ATOM 417 CE MET A 29 7.580 7.950 -2.449 1.00 0.00 C ATOM 0 H MET A 29 5.882 5.408 -6.353 1.00 0.00 H new ATOM 0 HA MET A 29 4.355 7.400 -7.764 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.643 8.705 -5.754 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.269 7.055 -5.295 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.707 6.642 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.031 8.320 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.546 7.248 -1.616 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.277 7.585 -3.203 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.912 8.924 -2.089 1.00 0.00 H new ATOM 427 N GLU A 30 7.605 7.509 -7.794 1.00 0.00 N ATOM 428 CA GLU A 30 8.748 8.200 -8.376 1.00 0.00 C ATOM 429 C GLU A 30 8.849 7.862 -9.859 1.00 0.00 C ATOM 430 O GLU A 30 9.169 8.720 -10.682 1.00 0.00 O ATOM 431 CB GLU A 30 10.039 7.833 -7.634 1.00 0.00 C ATOM 432 CG GLU A 30 10.548 6.429 -7.914 1.00 0.00 C ATOM 433 CD GLU A 30 11.317 6.338 -9.219 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.327 7.057 -9.362 1.00 0.00 O ATOM 435 OE2 GLU A 30 10.914 5.548 -10.093 1.00 0.00 O ATOM 0 H GLU A 30 7.822 6.603 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 30 8.606 9.276 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.815 8.548 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.870 7.938 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.191 6.109 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.704 5.740 -7.945 1.00 0.00 H new ATOM 442 N LYS A 31 8.548 6.609 -10.195 1.00 0.00 N ATOM 443 CA LYS A 31 8.579 6.165 -11.584 1.00 0.00 C ATOM 444 C LYS A 31 7.314 6.614 -12.309 1.00 0.00 C ATOM 445 O LYS A 31 7.322 6.821 -13.523 1.00 0.00 O ATOM 446 CB LYS A 31 8.701 4.641 -11.668 1.00 0.00 C ATOM 447 CG LYS A 31 8.776 4.116 -13.091 1.00 0.00 C ATOM 448 CD LYS A 31 8.911 2.602 -13.123 1.00 0.00 C ATOM 449 CE LYS A 31 10.175 2.140 -12.417 1.00 0.00 C ATOM 450 NZ LYS A 31 11.402 2.716 -13.036 1.00 0.00 N ATOM 0 H LYS A 31 8.281 5.887 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 31 9.450 6.613 -12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.592 4.326 -11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.846 4.188 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.881 4.414 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.626 4.568 -13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.041 2.148 -12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.925 2.259 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.129 2.428 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.230 1.052 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.242 2.238 -12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.367 2.581 -14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.454 3.732 -12.822 1.00 0.00 H new ATOM 464 N TYR A 32 6.225 6.759 -11.554 1.00 0.00 N ATOM 465 CA TYR A 32 4.950 7.181 -12.125 1.00 0.00 C ATOM 466 C TYR A 32 4.163 8.026 -11.128 1.00 0.00 C ATOM 467 O TYR A 32 4.586 8.214 -9.989 1.00 0.00 O ATOM 468 CB TYR A 32 4.124 5.961 -12.535 1.00 0.00 C ATOM 469 CG TYR A 32 4.818 5.066 -13.538 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.208 5.550 -14.780 1.00 0.00 C ATOM 471 CD2 TYR A 32 5.082 3.736 -13.240 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.841 4.734 -15.697 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.715 2.912 -14.152 1.00 0.00 C ATOM 474 CZ TYR A 32 6.093 3.417 -15.379 1.00 0.00 C ATOM 475 OH TYR A 32 6.725 2.601 -16.290 1.00 0.00 O ATOM 0 H TYR A 32 6.202 6.590 -10.548 1.00 0.00 H new ATOM 0 HA TYR A 32 5.157 7.787 -13.007 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.886 5.378 -11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.178 6.299 -12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.013 6.582 -15.033 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.788 3.338 -12.280 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.137 5.126 -16.659 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.912 1.879 -13.905 1.00 0.00 H new ATOM 0 HH TYR A 32 6.828 1.704 -15.909 1.00 0.00 H new ATOM 485 N ASN A 33 3.015 8.533 -11.565 1.00 0.00 N ATOM 486 CA ASN A 33 2.168 9.356 -10.709 1.00 0.00 C ATOM 487 C ASN A 33 0.726 9.364 -11.205 1.00 0.00 C ATOM 488 O ASN A 33 -0.014 10.324 -10.981 1.00 0.00 O ATOM 489 CB ASN A 33 2.708 10.786 -10.650 1.00 0.00 C ATOM 490 CG ASN A 33 2.753 11.444 -12.015 1.00 0.00 C ATOM 491 OD1 ASN A 33 3.421 10.960 -12.929 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.040 12.556 -12.160 1.00 0.00 N ATOM 0 H ASN A 33 2.650 8.389 -12.506 1.00 0.00 H new ATOM 0 HA ASN A 33 2.182 8.925 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.083 11.380 -9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.710 10.776 -10.222 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.032 13.044 -13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.501 12.922 -11.375 1.00 0.00 H new ATOM 499 N ILE A 34 0.330 8.291 -11.882 1.00 0.00 N ATOM 500 CA ILE A 34 -1.022 8.174 -12.412 1.00 0.00 C ATOM 501 C ILE A 34 -2.033 7.863 -11.308 1.00 0.00 C ATOM 502 O ILE A 34 -3.240 7.957 -11.522 1.00 0.00 O ATOM 503 CB ILE A 34 -1.098 7.072 -13.484 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.021 7.300 -14.544 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.479 7.041 -14.121 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.196 8.589 -15.319 1.00 0.00 C ATOM 0 H ILE A 34 0.929 7.488 -12.076 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.271 9.136 -12.859 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.922 6.107 -13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.956 7.306 -14.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.027 6.463 -15.242 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.514 6.256 -14.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.229 6.841 -13.355 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.686 8.004 -14.589 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.604 8.684 -16.053 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.158 8.578 -15.831 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.160 9.434 -14.632 1.00 0.00 H new ATOM 518 N GLU A 35 -1.530 7.485 -10.130 1.00 0.00 N ATOM 519 CA GLU A 35 -2.382 7.150 -8.988 1.00 0.00 C ATOM 520 C GLU A 35 -3.001 5.765 -9.154 1.00 0.00 C ATOM 521 O GLU A 35 -2.862 4.906 -8.283 1.00 0.00 O ATOM 522 CB GLU A 35 -3.484 8.197 -8.796 1.00 0.00 C ATOM 523 CG GLU A 35 -2.957 9.615 -8.644 1.00 0.00 C ATOM 524 CD GLU A 35 -4.066 10.632 -8.453 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.821 10.508 -7.466 1.00 0.00 O ATOM 526 OE2 GLU A 35 -4.178 11.551 -9.290 1.00 0.00 O ATOM 0 H GLU A 35 -0.531 7.403 -9.943 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.751 7.145 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.162 8.160 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.069 7.939 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.279 9.657 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.375 9.879 -9.527 1.00 0.00 H new ATOM 533 N LYS A 36 -3.678 5.550 -10.277 1.00 0.00 N ATOM 534 CA LYS A 36 -4.311 4.266 -10.554 1.00 0.00 C ATOM 535 C LYS A 36 -3.267 3.227 -10.940 1.00 0.00 C ATOM 536 O LYS A 36 -3.232 2.130 -10.386 1.00 0.00 O ATOM 537 CB LYS A 36 -5.345 4.409 -11.671 1.00 0.00 C ATOM 538 CG LYS A 36 -6.469 5.379 -11.340 1.00 0.00 C ATOM 539 CD LYS A 36 -7.471 5.480 -12.479 1.00 0.00 C ATOM 540 CE LYS A 36 -8.602 6.439 -12.142 1.00 0.00 C ATOM 541 NZ LYS A 36 -9.358 6.006 -10.934 1.00 0.00 N ATOM 0 H LYS A 36 -3.802 6.248 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.817 3.933 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.843 4.744 -12.579 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.773 3.430 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.978 5.052 -10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.052 6.364 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.964 5.817 -13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.881 4.493 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.195 7.436 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.283 6.509 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.250 6.538 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.565 4.989 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.788 6.188 -10.084 1.00 0.00 H new ATOM 555 N ASP A 37 -2.405 3.587 -11.888 1.00 0.00 N ATOM 556 CA ASP A 37 -1.350 2.688 -12.338 1.00 0.00 C ATOM 557 C ASP A 37 -0.491 2.252 -11.155 1.00 0.00 C ATOM 558 O ASP A 37 0.063 1.152 -11.145 1.00 0.00 O ATOM 559 CB ASP A 37 -0.481 3.374 -13.395 1.00 0.00 C ATOM 560 CG ASP A 37 0.597 2.461 -13.948 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.655 1.286 -13.529 1.00 0.00 O ATOM 562 OD2 ASP A 37 1.382 2.921 -14.802 1.00 0.00 O ATOM 0 H ASP A 37 -2.418 4.493 -12.357 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.810 1.806 -12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.114 3.719 -14.212 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.015 4.257 -12.959 1.00 0.00 H new ATOM 567 N ILE A 38 -0.395 3.123 -10.156 1.00 0.00 N ATOM 568 CA ILE A 38 0.381 2.837 -8.960 1.00 0.00 C ATOM 569 C ILE A 38 -0.191 1.629 -8.224 1.00 0.00 C ATOM 570 O ILE A 38 0.511 0.650 -7.973 1.00 0.00 O ATOM 571 CB ILE A 38 0.400 4.046 -8.002 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.889 5.297 -8.734 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.278 3.758 -6.794 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.291 5.162 -9.288 1.00 0.00 C ATOM 0 H ILE A 38 -0.848 4.037 -10.154 1.00 0.00 H new ATOM 0 HA ILE A 38 1.401 2.622 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.616 4.224 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.204 5.521 -9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.857 6.145 -8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.279 4.623 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.889 2.891 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.296 3.554 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.573 6.085 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.987 4.968 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.324 4.335 -9.997 1.00 0.00 H new ATOM 586 N ALA A 39 -1.474 1.708 -7.882 1.00 0.00 N ATOM 587 CA ALA A 39 -2.143 0.622 -7.177 1.00 0.00 C ATOM 588 C ALA A 39 -2.080 -0.677 -7.975 1.00 0.00 C ATOM 589 O ALA A 39 -2.196 -1.766 -7.414 1.00 0.00 O ATOM 590 CB ALA A 39 -3.589 0.995 -6.886 1.00 0.00 C ATOM 0 H ALA A 39 -2.069 2.512 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.622 0.461 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.077 0.175 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.616 1.892 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.111 1.186 -7.824 1.00 0.00 H new ATOM 596 N ALA A 40 -1.893 -0.555 -9.286 1.00 0.00 N ATOM 597 CA ALA A 40 -1.812 -1.722 -10.156 1.00 0.00 C ATOM 598 C ALA A 40 -0.444 -2.374 -10.071 1.00 0.00 C ATOM 599 O ALA A 40 -0.337 -3.596 -10.031 1.00 0.00 O ATOM 600 CB ALA A 40 -2.134 -1.335 -11.591 1.00 0.00 C ATOM 0 H ALA A 40 -1.795 0.339 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.550 -2.450 -9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.069 -2.217 -12.229 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.143 -0.925 -11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.421 -0.586 -11.935 1.00 0.00 H new ATOM 606 N TYR A 41 0.598 -1.559 -10.038 1.00 0.00 N ATOM 607 CA TYR A 41 1.958 -2.073 -9.947 1.00 0.00 C ATOM 608 C TYR A 41 2.198 -2.704 -8.580 1.00 0.00 C ATOM 609 O TYR A 41 3.029 -3.601 -8.433 1.00 0.00 O ATOM 610 CB TYR A 41 2.969 -0.951 -10.206 1.00 0.00 C ATOM 611 CG TYR A 41 4.416 -1.389 -10.120 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.984 -1.754 -8.906 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.214 -1.438 -11.256 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.304 -2.155 -8.826 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.534 -1.838 -11.185 1.00 0.00 C ATOM 616 CZ TYR A 41 7.075 -2.194 -9.967 1.00 0.00 C ATOM 617 OH TYR A 41 8.390 -2.593 -9.893 1.00 0.00 O ATOM 0 H TYR A 41 0.530 -0.542 -10.073 1.00 0.00 H new ATOM 0 HA TYR A 41 2.091 -2.841 -10.708 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.786 -0.533 -11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.800 -0.151 -9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.383 -1.724 -8.009 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.795 -1.158 -12.211 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.729 -2.436 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.140 -1.872 -12.079 1.00 0.00 H new ATOM 0 HH TYR A 41 8.791 -2.565 -10.787 1.00 0.00 H new ATOM 627 N ILE A 42 1.451 -2.239 -7.585 1.00 0.00 N ATOM 628 CA ILE A 42 1.569 -2.763 -6.233 1.00 0.00 C ATOM 629 C ILE A 42 0.796 -4.069 -6.113 1.00 0.00 C ATOM 630 O ILE A 42 1.312 -5.068 -5.613 1.00 0.00 O ATOM 631 CB ILE A 42 1.042 -1.755 -5.190 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.807 -0.436 -5.302 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.162 -2.326 -3.783 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.268 0.652 -4.399 1.00 0.00 C ATOM 0 H ILE A 42 0.757 -1.499 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 42 2.626 -2.940 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.013 -1.566 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.855 -0.611 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.771 -0.091 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.785 -1.600 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.579 -3.244 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.208 -2.543 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.858 1.559 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.228 0.855 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.329 0.326 -3.361 1.00 0.00 H new ATOM 646 N LYS A 43 -0.444 -4.055 -6.592 1.00 0.00 N ATOM 647 CA LYS A 43 -1.281 -5.240 -6.553 1.00 0.00 C ATOM 648 C LYS A 43 -0.748 -6.278 -7.527 1.00 0.00 C ATOM 649 O LYS A 43 -0.847 -7.480 -7.286 1.00 0.00 O ATOM 650 CB LYS A 43 -2.737 -4.883 -6.879 1.00 0.00 C ATOM 651 CG LYS A 43 -2.981 -4.500 -8.333 1.00 0.00 C ATOM 652 CD LYS A 43 -3.241 -5.722 -9.205 1.00 0.00 C ATOM 653 CE LYS A 43 -3.585 -5.329 -10.632 1.00 0.00 C ATOM 654 NZ LYS A 43 -2.465 -4.612 -11.302 1.00 0.00 N ATOM 0 H LYS A 43 -0.887 -3.237 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.256 -5.659 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.371 -5.733 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.047 -4.055 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.833 -3.823 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.116 -3.958 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.359 -6.363 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.058 -6.305 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.836 -6.223 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.471 -4.694 -10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.804 -3.697 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.697 -4.452 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.110 -5.185 -12.094 1.00 0.00 H new ATOM 668 N LYS A 44 -0.169 -5.805 -8.632 1.00 0.00 N ATOM 669 CA LYS A 44 0.389 -6.687 -9.636 1.00 0.00 C ATOM 670 C LYS A 44 1.623 -7.410 -9.102 1.00 0.00 C ATOM 671 O LYS A 44 1.779 -8.616 -9.288 1.00 0.00 O ATOM 672 CB LYS A 44 0.743 -5.854 -10.854 1.00 0.00 C ATOM 673 CG LYS A 44 1.539 -6.575 -11.914 1.00 0.00 C ATOM 674 CD LYS A 44 2.027 -5.573 -12.930 1.00 0.00 C ATOM 675 CE LYS A 44 2.908 -6.219 -13.988 1.00 0.00 C ATOM 676 NZ LYS A 44 2.186 -7.281 -14.740 1.00 0.00 N ATOM 0 H LYS A 44 -0.078 -4.812 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.342 -7.450 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.179 -5.485 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.310 -4.982 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.384 -7.094 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.922 -7.332 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.172 -5.098 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.586 -4.786 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.258 -5.456 -14.683 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.791 -6.647 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.765 -7.590 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.008 -8.091 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.280 -6.906 -15.087 1.00 0.00 H new ATOM 690 N GLU A 45 2.498 -6.660 -8.437 1.00 0.00 N ATOM 691 CA GLU A 45 3.719 -7.226 -7.876 1.00 0.00 C ATOM 692 C GLU A 45 3.401 -8.290 -6.830 1.00 0.00 C ATOM 693 O GLU A 45 4.027 -9.350 -6.801 1.00 0.00 O ATOM 694 CB GLU A 45 4.577 -6.123 -7.255 1.00 0.00 C ATOM 695 CG GLU A 45 5.875 -6.629 -6.643 1.00 0.00 C ATOM 696 CD GLU A 45 6.778 -7.301 -7.658 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.355 -8.316 -8.249 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.908 -6.811 -7.863 1.00 0.00 O ATOM 0 H GLU A 45 2.383 -5.660 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 45 4.275 -7.698 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.811 -5.383 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.997 -5.614 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.406 -5.794 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.645 -7.334 -5.845 1.00 0.00 H new ATOM 705 N PHE A 46 2.431 -8.004 -5.969 1.00 0.00 N ATOM 706 CA PHE A 46 2.041 -8.939 -4.918 1.00 0.00 C ATOM 707 C PHE A 46 1.102 -10.022 -5.448 1.00 0.00 C ATOM 708 O PHE A 46 0.913 -11.054 -4.804 1.00 0.00 O ATOM 709 CB PHE A 46 1.373 -8.194 -3.761 1.00 0.00 C ATOM 710 CG PHE A 46 2.287 -7.231 -3.058 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.463 -7.676 -2.473 1.00 0.00 C ATOM 712 CD2 PHE A 46 1.973 -5.884 -2.981 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.307 -6.794 -1.823 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.812 -4.998 -2.333 1.00 0.00 C ATOM 715 CZ PHE A 46 3.980 -5.454 -1.754 1.00 0.00 C ATOM 0 H PHE A 46 1.900 -7.133 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 46 2.949 -9.424 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.509 -7.650 -4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.000 -8.921 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.723 -8.723 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.061 -5.522 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.220 -7.152 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.555 -3.950 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.637 -4.763 -1.247 1.00 0.00 H new ATOM 725 N ASP A 47 0.514 -9.787 -6.618 1.00 0.00 N ATOM 726 CA ASP A 47 -0.404 -10.751 -7.215 1.00 0.00 C ATOM 727 C ASP A 47 0.349 -11.781 -8.054 1.00 0.00 C ATOM 728 O ASP A 47 0.055 -12.975 -7.999 1.00 0.00 O ATOM 729 CB ASP A 47 -1.445 -10.033 -8.078 1.00 0.00 C ATOM 730 CG ASP A 47 -2.431 -10.989 -8.723 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.306 -12.212 -8.501 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.328 -10.513 -9.450 1.00 0.00 O ATOM 0 H ASP A 47 0.656 -8.941 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.913 -11.274 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.989 -9.317 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.936 -9.463 -8.855 1.00 0.00 H new ATOM 737 N LYS A 48 1.318 -11.312 -8.835 1.00 0.00 N ATOM 738 CA LYS A 48 2.106 -12.194 -9.689 1.00 0.00 C ATOM 739 C LYS A 48 3.350 -12.712 -8.969 1.00 0.00 C ATOM 740 O LYS A 48 4.318 -13.123 -9.611 1.00 0.00 O ATOM 741 CB LYS A 48 2.514 -11.463 -10.969 1.00 0.00 C ATOM 742 CG LYS A 48 1.333 -11.005 -11.810 1.00 0.00 C ATOM 743 CD LYS A 48 0.466 -12.178 -12.238 1.00 0.00 C ATOM 744 CE LYS A 48 1.251 -13.180 -13.068 1.00 0.00 C ATOM 745 NZ LYS A 48 0.407 -14.328 -13.499 1.00 0.00 N ATOM 0 H LYS A 48 1.576 -10.327 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 48 1.482 -13.051 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.120 -10.596 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.143 -12.121 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.732 -10.296 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.696 -10.478 -12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.061 -12.673 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.383 -11.812 -12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.661 -12.681 -13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.096 -13.549 -12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.980 -14.988 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.036 -14.820 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.386 -13.979 -14.075 1.00 0.00 H new ATOM 759 N LYS A 49 3.325 -12.693 -7.639 1.00 0.00 N ATOM 760 CA LYS A 49 4.459 -13.165 -6.851 1.00 0.00 C ATOM 761 C LYS A 49 3.995 -13.995 -5.657 1.00 0.00 C ATOM 762 O LYS A 49 4.577 -15.036 -5.352 1.00 0.00 O ATOM 763 CB LYS A 49 5.299 -11.981 -6.367 1.00 0.00 C ATOM 764 CG LYS A 49 5.927 -11.178 -7.495 1.00 0.00 C ATOM 765 CD LYS A 49 6.881 -12.026 -8.320 1.00 0.00 C ATOM 766 CE LYS A 49 7.489 -11.227 -9.462 1.00 0.00 C ATOM 767 NZ LYS A 49 8.410 -12.055 -10.289 1.00 0.00 N ATOM 0 H LYS A 49 2.536 -12.357 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 49 5.070 -13.800 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.671 -11.321 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.088 -12.350 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.143 -10.780 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.463 -10.324 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.675 -12.410 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.349 -12.889 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.693 -10.830 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.032 -10.372 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.804 -11.474 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.184 -12.413 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.886 -12.857 -10.695 1.00 0.00 H new ATOM 781 N TYR A 50 2.950 -13.529 -4.981 1.00 0.00 N ATOM 782 CA TYR A 50 2.420 -14.233 -3.817 1.00 0.00 C ATOM 783 C TYR A 50 1.040 -14.827 -4.097 1.00 0.00 C ATOM 784 O TYR A 50 0.361 -15.289 -3.180 1.00 0.00 O ATOM 785 CB TYR A 50 2.342 -13.285 -2.618 1.00 0.00 C ATOM 786 CG TYR A 50 3.682 -12.717 -2.210 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.721 -13.551 -1.817 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.909 -11.346 -2.218 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.947 -13.037 -1.443 1.00 0.00 C ATOM 790 CE2 TYR A 50 5.134 -10.824 -1.847 1.00 0.00 C ATOM 791 CZ TYR A 50 6.148 -11.673 -1.460 1.00 0.00 C ATOM 792 OH TYR A 50 7.369 -11.157 -1.090 1.00 0.00 O ATOM 0 H TYR A 50 2.454 -12.670 -5.218 1.00 0.00 H new ATOM 0 HA TYR A 50 3.100 -15.054 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.666 -12.464 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.909 -13.818 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.567 -14.620 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.116 -10.678 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.744 -13.700 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.296 -9.756 -1.860 1.00 0.00 H new ATOM 0 HH TYR A 50 7.345 -10.180 -1.159 1.00 0.00 H new ATOM 802 N ASN A 51 0.628 -14.820 -5.364 1.00 0.00 N ATOM 803 CA ASN A 51 -0.670 -15.366 -5.748 1.00 0.00 C ATOM 804 C ASN A 51 -1.807 -14.589 -5.083 1.00 0.00 C ATOM 805 O ASN A 51 -1.690 -14.168 -3.932 1.00 0.00 O ATOM 806 CB ASN A 51 -0.752 -16.847 -5.367 1.00 0.00 C ATOM 807 CG ASN A 51 -2.082 -17.474 -5.742 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.138 -17.045 -5.278 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.037 -18.496 -6.589 1.00 0.00 N ATOM 0 H ASN A 51 1.174 -14.443 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.775 -15.269 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.054 -17.390 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.595 -16.951 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.900 -18.957 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.140 -18.820 -6.950 1.00 0.00 H new ATOM 816 N PRO A 52 -2.928 -14.385 -5.800 1.00 0.00 N ATOM 817 CA PRO A 52 -4.081 -13.653 -5.263 1.00 0.00 C ATOM 818 C PRO A 52 -4.506 -14.166 -3.887 1.00 0.00 C ATOM 819 O PRO A 52 -3.969 -15.165 -3.407 1.00 0.00 O ATOM 820 CB PRO A 52 -5.179 -13.917 -6.297 1.00 0.00 C ATOM 821 CG PRO A 52 -4.446 -14.169 -7.569 1.00 0.00 C ATOM 822 CD PRO A 52 -3.161 -14.849 -7.183 1.00 0.00 C ATOM 0 HA PRO A 52 -3.861 -12.596 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.790 -14.774 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.850 -13.063 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.033 -14.797 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.250 -13.236 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.250 -15.934 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.342 -14.566 -7.845 1.00 0.00 H new ATOM 830 N THR A 53 -5.469 -13.492 -3.243 1.00 0.00 N ATOM 831 CA THR A 53 -6.118 -12.302 -3.798 1.00 0.00 C ATOM 832 C THR A 53 -6.015 -11.133 -2.827 1.00 0.00 C ATOM 833 O THR A 53 -6.612 -11.154 -1.750 1.00 0.00 O ATOM 834 CB THR A 53 -7.588 -12.597 -4.106 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.702 -13.662 -5.033 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.331 -11.410 -4.679 1.00 0.00 C ATOM 0 H THR A 53 -5.818 -13.759 -2.322 1.00 0.00 H new ATOM 0 HA THR A 53 -5.608 -12.032 -4.723 1.00 0.00 H new ATOM 0 HB THR A 53 -8.036 -12.857 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.649 -13.837 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.367 -11.689 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.305 -10.586 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.857 -11.099 -5.610 1.00 0.00 H new ATOM 844 N TRP A 54 -5.248 -10.117 -3.208 1.00 0.00 N ATOM 845 CA TRP A 54 -5.064 -8.945 -2.361 1.00 0.00 C ATOM 846 C TRP A 54 -5.916 -7.778 -2.857 1.00 0.00 C ATOM 847 O TRP A 54 -6.800 -7.953 -3.696 1.00 0.00 O ATOM 848 CB TRP A 54 -3.587 -8.536 -2.330 1.00 0.00 C ATOM 849 CG TRP A 54 -2.653 -9.676 -2.051 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.491 -10.802 -2.803 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.753 -9.802 -0.941 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.548 -11.622 -2.232 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.080 -11.030 -1.088 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.448 -8.998 0.166 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.126 -11.472 -0.176 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.501 -9.439 1.069 1.00 0.00 C ATOM 857 CH2 TRP A 54 0.151 -10.666 0.893 1.00 0.00 C ATOM 0 H TRP A 54 -4.745 -10.082 -4.095 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.383 -9.204 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.323 -8.087 -3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.447 -7.768 -1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.027 -11.018 -3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.246 -12.524 -2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.945 -8.050 0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.378 -12.418 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.259 -8.827 1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.888 -10.982 1.617 1.00 0.00 H new ATOM 868 N HIS A 55 -5.641 -6.587 -2.333 1.00 0.00 N ATOM 869 CA HIS A 55 -6.374 -5.387 -2.719 1.00 0.00 C ATOM 870 C HIS A 55 -5.784 -4.158 -2.033 1.00 0.00 C ATOM 871 O HIS A 55 -6.177 -3.804 -0.922 1.00 0.00 O ATOM 872 CB HIS A 55 -7.855 -5.529 -2.362 1.00 0.00 C ATOM 873 CG HIS A 55 -8.685 -4.352 -2.771 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.780 -3.913 -4.076 1.00 0.00 N ATOM 875 CD2 HIS A 55 -9.468 -3.523 -2.039 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.582 -2.864 -4.128 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.012 -2.608 -2.908 1.00 0.00 N ATOM 0 H HIS A 55 -4.913 -6.428 -1.637 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.284 -5.261 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.251 -6.426 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.949 -5.673 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.633 -3.572 -0.973 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.841 -2.310 -5.018 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.647 -1.852 -2.651 1.00 0.00 H new ATOM 886 N CYS A 56 -4.829 -3.520 -2.700 1.00 0.00 N ATOM 887 CA CYS A 56 -4.169 -2.336 -2.156 1.00 0.00 C ATOM 888 C CYS A 56 -4.906 -1.059 -2.542 1.00 0.00 C ATOM 889 O CYS A 56 -5.442 -0.949 -3.645 1.00 0.00 O ATOM 890 CB CYS A 56 -2.724 -2.271 -2.652 1.00 0.00 C ATOM 891 SG CYS A 56 -1.786 -0.864 -2.019 1.00 0.00 S ATOM 0 H CYS A 56 -4.493 -3.803 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.180 -2.416 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.213 -3.191 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.727 -2.231 -3.741 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.037 -0.381 -2.965 1.00 0.00 H new ATOM 897 N ILE A 57 -4.921 -0.091 -1.628 1.00 0.00 N ATOM 898 CA ILE A 57 -5.586 1.184 -1.879 1.00 0.00 C ATOM 899 C ILE A 57 -4.579 2.316 -1.906 1.00 0.00 C ATOM 900 O ILE A 57 -3.550 2.254 -1.236 1.00 0.00 O ATOM 901 CB ILE A 57 -6.639 1.516 -0.812 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.413 0.274 -0.418 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.587 2.585 -1.321 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.103 -0.410 -1.579 1.00 0.00 C ATOM 0 H ILE A 57 -4.482 -0.165 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.080 1.082 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.124 1.895 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.731 -0.433 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.160 0.544 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.328 2.810 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.024 3.488 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.091 2.227 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.636 -1.290 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.811 0.280 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.360 -0.713 -2.317 1.00 0.00 H new ATOM 916 N VAL A 58 -4.894 3.353 -2.672 1.00 0.00 N ATOM 917 CA VAL A 58 -4.021 4.515 -2.785 1.00 0.00 C ATOM 918 C VAL A 58 -4.820 5.813 -2.745 1.00 0.00 C ATOM 919 O VAL A 58 -5.271 6.313 -3.774 1.00 0.00 O ATOM 920 CB VAL A 58 -3.186 4.471 -4.081 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.229 5.653 -4.146 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.429 3.156 -4.182 1.00 0.00 C ATOM 0 H VAL A 58 -5.749 3.413 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.346 4.485 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.866 4.540 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.650 5.602 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.797 6.583 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.553 5.622 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.845 3.142 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.761 3.054 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.138 2.328 -4.189 1.00 0.00 H new ATOM 932 N GLY A 59 -4.982 6.355 -1.543 1.00 0.00 N ATOM 933 CA GLY A 59 -5.719 7.592 -1.374 1.00 0.00 C ATOM 934 C GLY A 59 -5.827 8.000 0.080 1.00 0.00 C ATOM 935 O GLY A 59 -5.034 8.807 0.566 1.00 0.00 O ATOM 0 H GLY A 59 -4.614 5.957 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.227 8.386 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.719 7.477 -1.792 1.00 0.00 H new ATOM 939 N ARG A 60 -6.807 7.437 0.780 1.00 0.00 N ATOM 940 CA ARG A 60 -7.014 7.746 2.190 1.00 0.00 C ATOM 941 C ARG A 60 -7.404 6.498 2.975 1.00 0.00 C ATOM 942 O ARG A 60 -6.593 5.934 3.709 1.00 0.00 O ATOM 943 CB ARG A 60 -8.087 8.825 2.344 1.00 0.00 C ATOM 944 CG ARG A 60 -7.728 10.139 1.668 1.00 0.00 C ATOM 945 CD ARG A 60 -8.828 11.174 1.841 1.00 0.00 C ATOM 946 NE ARG A 60 -10.094 10.733 1.261 1.00 0.00 N ATOM 947 CZ ARG A 60 -10.290 10.550 -0.044 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.321 10.813 -0.912 1.00 0.00 N ATOM 949 NH2 ARG A 60 -11.465 10.116 -0.481 1.00 0.00 N ATOM 0 H ARG A 60 -7.470 6.765 0.394 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.074 8.120 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.024 8.456 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.259 9.007 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.797 10.522 2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.553 9.967 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.968 11.379 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.522 12.110 1.373 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.875 10.555 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.420 11.157 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.478 10.671 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.216 9.923 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.617 9.975 -1.480 1.00 0.00 H new ATOM 963 N ASN A 61 -8.652 6.078 2.821 1.00 0.00 N ATOM 964 CA ASN A 61 -9.159 4.900 3.520 1.00 0.00 C ATOM 965 C ASN A 61 -10.416 4.366 2.844 1.00 0.00 C ATOM 966 O ASN A 61 -11.245 3.720 3.483 1.00 0.00 O ATOM 967 CB ASN A 61 -9.495 5.261 4.974 1.00 0.00 C ATOM 968 CG ASN A 61 -10.783 6.079 5.123 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.233 6.327 6.241 1.00 0.00 O ATOM 970 ND2 ASN A 61 -11.378 6.521 4.007 1.00 0.00 N ATOM 0 H ASN A 61 -9.335 6.535 2.217 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.386 4.132 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.588 4.343 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.665 5.825 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.229 7.080 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.980 6.298 3.095 1.00 0.00 H new ATOM 977 N PHE A 62 -10.581 4.681 1.567 1.00 0.00 N ATOM 978 CA PHE A 62 -11.773 4.270 0.849 1.00 0.00 C ATOM 979 C PHE A 62 -11.792 2.767 0.563 1.00 0.00 C ATOM 980 O PHE A 62 -12.716 2.267 -0.079 1.00 0.00 O ATOM 981 CB PHE A 62 -11.929 5.053 -0.462 1.00 0.00 C ATOM 982 CG PHE A 62 -10.805 4.852 -1.442 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.579 5.474 -1.261 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.976 4.034 -2.549 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.550 5.284 -2.162 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.950 3.841 -3.453 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.735 4.469 -3.260 1.00 0.00 C ATOM 0 H PHE A 62 -9.910 5.214 1.014 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.617 4.495 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.866 4.761 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.007 6.115 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.427 6.115 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.924 3.541 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.600 5.774 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.097 3.200 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.932 4.322 -3.967 1.00 0.00 H new ATOM 997 N GLY A 63 -10.778 2.046 1.036 1.00 0.00 N ATOM 998 CA GLY A 63 -10.724 0.614 0.809 1.00 0.00 C ATOM 999 C GLY A 63 -11.945 -0.102 1.349 1.00 0.00 C ATOM 1000 O GLY A 63 -12.662 -0.768 0.602 1.00 0.00 O ATOM 0 H GLY A 63 -9.997 2.427 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.636 0.421 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.829 0.207 1.281 1.00 0.00 H new ATOM 1004 N SER A 64 -12.182 0.038 2.651 1.00 0.00 N ATOM 1005 CA SER A 64 -13.328 -0.600 3.299 1.00 0.00 C ATOM 1006 C SER A 64 -13.480 -2.050 2.843 1.00 0.00 C ATOM 1007 O SER A 64 -14.541 -2.456 2.370 1.00 0.00 O ATOM 1008 CB SER A 64 -14.609 0.181 2.997 1.00 0.00 C ATOM 1009 OG SER A 64 -14.514 1.517 3.457 1.00 0.00 O ATOM 0 H SER A 64 -11.596 0.588 3.279 1.00 0.00 H new ATOM 0 HA SER A 64 -13.152 -0.597 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.797 0.176 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.458 -0.310 3.472 1.00 0.00 H new ATOM 0 HG SER A 64 -15.345 1.994 3.250 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.406 -2.820 2.980 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.413 -4.218 2.569 1.00 0.00 C ATOM 1017 C TYR A 65 -11.205 -4.958 3.145 1.00 0.00 C ATOM 1018 O TYR A 65 -10.683 -5.892 2.536 1.00 0.00 O ATOM 1019 CB TYR A 65 -12.423 -4.301 1.038 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.348 -5.707 0.487 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -13.286 -6.668 0.842 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -11.338 -6.068 -0.395 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -13.215 -7.952 0.334 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -11.262 -7.347 -0.907 1.00 0.00 C ATOM 1025 CZ TYR A 65 -12.202 -8.287 -0.540 1.00 0.00 C ATOM 1026 OH TYR A 65 -12.130 -9.563 -1.047 1.00 0.00 O ATOM 0 H TYR A 65 -11.521 -2.500 3.372 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.312 -4.698 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.331 -3.827 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.582 -3.727 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.082 -6.409 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.600 -5.335 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.950 -8.690 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.470 -7.611 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.376 -10.036 -0.637 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.767 -4.532 4.325 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.623 -5.147 4.988 1.00 0.00 C ATOM 1038 C VAL A 66 -10.039 -6.377 5.789 1.00 0.00 C ATOM 1039 O VAL A 66 -9.758 -7.510 5.400 1.00 0.00 O ATOM 1040 CB VAL A 66 -8.913 -4.143 5.920 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.704 -4.786 6.590 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.505 -2.896 5.145 1.00 0.00 C ATOM 0 H VAL A 66 -11.188 -3.761 4.843 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.930 -5.456 4.205 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.612 -3.847 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.220 -4.059 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.028 -5.643 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.998 -5.116 5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.005 -2.198 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.825 -3.174 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.392 -2.423 4.724 1.00 0.00 H new ATOM 1052 N THR A 67 -10.710 -6.142 6.908 1.00 0.00 N ATOM 1053 CA THR A 67 -11.169 -7.228 7.767 1.00 0.00 C ATOM 1054 C THR A 67 -12.290 -8.015 7.100 1.00 0.00 C ATOM 1055 O THR A 67 -12.495 -9.194 7.391 1.00 0.00 O ATOM 1056 CB THR A 67 -11.658 -6.668 9.102 1.00 0.00 C ATOM 1057 OG1 THR A 67 -10.625 -5.949 9.754 1.00 0.00 O ATOM 1058 CG2 THR A 67 -12.150 -7.733 10.060 1.00 0.00 C ATOM 0 H THR A 67 -10.949 -5.209 7.244 1.00 0.00 H new ATOM 0 HA THR A 67 -10.329 -7.901 7.940 1.00 0.00 H new ATOM 0 HB THR A 67 -12.495 -6.018 8.849 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.959 -5.597 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.482 -7.264 10.986 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.982 -8.272 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.340 -8.430 10.276 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.013 -7.353 6.206 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.121 -7.981 5.491 1.00 0.00 C ATOM 1068 C HIS A 68 -13.739 -9.355 4.945 1.00 0.00 C ATOM 1069 O HIS A 68 -14.603 -10.206 4.736 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.599 -7.084 4.345 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.280 -5.830 4.802 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.641 -4.834 5.514 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.560 -5.415 4.649 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.498 -3.864 5.776 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -16.668 -4.191 5.263 1.00 0.00 N ATOM 0 H HIS A 68 -12.852 -6.377 5.957 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.931 -8.116 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.744 -6.816 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.285 -7.650 3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.349 -5.947 4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.278 -2.956 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.516 -3.626 5.314 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.446 -9.575 4.709 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.987 -10.855 4.185 1.00 0.00 C ATOM 1086 C GLU A 69 -11.334 -11.708 5.270 1.00 0.00 C ATOM 1087 O GLU A 69 -11.838 -12.779 5.608 1.00 0.00 O ATOM 1088 CB GLU A 69 -11.047 -10.657 2.987 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.903 -9.681 3.221 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.199 -9.289 1.935 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -9.608 -9.778 0.860 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -8.238 -8.495 2.004 1.00 0.00 O ATOM 0 H GLU A 69 -11.707 -8.890 4.871 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.864 -11.398 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.628 -11.624 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.634 -10.308 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.288 -8.785 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.181 -10.129 3.904 1.00 0.00 H new ATOM 1099 N THR A 70 -10.226 -11.236 5.823 1.00 0.00 N ATOM 1100 CA THR A 70 -9.534 -11.965 6.872 1.00 0.00 C ATOM 1101 C THR A 70 -8.794 -10.998 7.803 1.00 0.00 C ATOM 1102 O THR A 70 -9.421 -10.178 8.472 1.00 0.00 O ATOM 1103 CB THR A 70 -8.588 -13.005 6.256 1.00 0.00 C ATOM 1104 OG1 THR A 70 -7.761 -13.584 7.250 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.691 -12.445 5.172 1.00 0.00 C ATOM 0 H THR A 70 -9.789 -10.352 5.562 1.00 0.00 H new ATOM 0 HA THR A 70 -10.265 -12.500 7.478 1.00 0.00 H new ATOM 0 HB THR A 70 -9.242 -13.751 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.167 -14.245 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.051 -13.237 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.303 -12.045 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.072 -11.649 5.587 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.470 -11.096 7.845 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.658 -10.230 8.698 1.00 0.00 C ATOM 1115 C LYS A 71 -5.246 -10.081 8.138 1.00 0.00 C ATOM 1116 O LYS A 71 -4.287 -9.909 8.890 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.572 -10.783 10.129 1.00 0.00 C ATOM 1118 CG LYS A 71 -7.915 -10.998 10.809 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.472 -12.388 10.535 1.00 0.00 C ATOM 1120 CE LYS A 71 -9.863 -12.556 11.127 1.00 0.00 C ATOM 1121 NZ LYS A 71 -10.421 -13.911 10.857 1.00 0.00 N ATOM 0 H LYS A 71 -6.933 -11.768 7.297 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.144 -9.254 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.036 -11.732 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.979 -10.097 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.805 -10.856 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.624 -10.247 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.510 -12.561 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.803 -13.139 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.822 -12.388 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.529 -11.800 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.370 -13.986 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.484 -14.062 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.800 -14.632 11.276 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.122 -10.152 6.818 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.822 -10.030 6.167 1.00 0.00 C ATOM 1137 C HIS A 72 -3.680 -8.673 5.486 1.00 0.00 C ATOM 1138 O HIS A 72 -3.643 -8.583 4.260 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.632 -11.153 5.145 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.684 -12.523 5.744 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.808 -12.952 6.720 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.513 -13.567 5.501 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.096 -14.199 7.051 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.126 -14.594 6.326 1.00 0.00 N ATOM 0 H HIS A 72 -5.904 -10.293 6.178 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.050 -10.113 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.404 -11.071 4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.672 -11.020 4.646 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.326 -13.587 4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.577 -14.793 7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.564 -15.514 6.371 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.609 -7.620 6.292 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.482 -6.264 5.765 1.00 0.00 C ATOM 1155 C PHE A 73 -2.174 -5.613 6.209 1.00 0.00 C ATOM 1156 O PHE A 73 -1.420 -6.175 7.003 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.671 -5.409 6.222 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.624 -5.024 7.677 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.716 -4.079 8.126 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.481 -5.611 8.594 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.660 -3.724 9.457 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.431 -5.261 9.931 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.520 -4.316 10.362 1.00 0.00 C ATOM 0 H PHE A 73 -3.637 -7.677 7.310 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.476 -6.327 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.707 -4.503 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.594 -5.957 6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.042 -3.613 7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.195 -6.349 8.261 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.946 -2.986 9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.103 -5.726 10.637 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.480 -4.040 11.405 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.929 -4.408 5.699 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.736 -3.647 6.043 1.00 0.00 C ATOM 1175 C ILE A 74 -0.939 -2.167 5.723 1.00 0.00 C ATOM 1176 O ILE A 74 -1.021 -1.779 4.556 1.00 0.00 O ATOM 1177 CB ILE A 74 0.508 -4.169 5.301 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.748 -3.385 5.729 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.310 -4.077 3.797 1.00 0.00 C ATOM 1180 CD1 ILE A 74 3.009 -3.817 5.016 1.00 0.00 C ATOM 0 H ILE A 74 -2.549 -3.936 5.040 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.570 -3.771 7.113 1.00 0.00 H new ATOM 0 HB ILE A 74 0.654 -5.217 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.580 -2.324 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.889 -3.502 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.199 -4.450 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.552 -4.677 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.141 -3.038 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.849 -3.219 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.201 -4.870 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.887 -3.674 3.942 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.035 -1.349 6.768 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.248 0.087 6.606 1.00 0.00 C ATOM 1194 C TYR A 75 0.069 0.855 6.546 1.00 0.00 C ATOM 1195 O TYR A 75 0.999 0.574 7.302 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.087 0.632 7.766 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.503 0.109 7.804 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.409 0.438 6.805 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.935 -0.711 8.838 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.707 -0.033 6.835 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.230 -1.187 8.876 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.114 -0.846 7.873 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.405 -1.318 7.908 1.00 0.00 O ATOM 0 H TYR A 75 -0.969 -1.657 7.738 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.774 0.228 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.594 0.382 8.705 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.115 1.720 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.093 1.073 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.247 -0.981 9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.400 0.234 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.550 -1.824 9.687 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.528 -1.877 8.704 1.00 0.00 H new ATOM 1213 N PHE A 76 0.124 1.851 5.664 1.00 0.00 N ATOM 1214 CA PHE A 76 1.307 2.688 5.531 1.00 0.00 C ATOM 1215 C PHE A 76 0.950 3.990 4.823 1.00 0.00 C ATOM 1216 O PHE A 76 0.426 3.990 3.707 1.00 0.00 O ATOM 1217 CB PHE A 76 2.446 1.939 4.825 1.00 0.00 C ATOM 1218 CG PHE A 76 2.096 1.359 3.487 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.028 2.159 2.360 1.00 0.00 C ATOM 1220 CD2 PHE A 76 1.850 0.000 3.356 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.722 1.614 1.128 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.540 -0.548 2.127 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.478 0.261 1.011 1.00 0.00 C ATOM 0 H PHE A 76 -0.639 2.095 5.032 1.00 0.00 H new ATOM 0 HA PHE A 76 1.672 2.938 6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.285 2.623 4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.787 1.133 5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.216 3.219 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.902 -0.637 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.674 2.248 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.347 -1.607 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.239 -0.164 0.047 1.00 0.00 H new ATOM 1233 N TYR A 77 1.199 5.100 5.515 1.00 0.00 N ATOM 1234 CA TYR A 77 0.872 6.423 4.999 1.00 0.00 C ATOM 1235 C TYR A 77 2.044 7.050 4.257 1.00 0.00 C ATOM 1236 O TYR A 77 3.191 6.967 4.696 1.00 0.00 O ATOM 1237 CB TYR A 77 0.465 7.343 6.148 1.00 0.00 C ATOM 1238 CG TYR A 77 -0.209 8.622 5.704 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -1.453 8.597 5.087 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.401 9.856 5.901 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -2.071 9.762 4.679 1.00 0.00 C ATOM 1242 CE2 TYR A 77 -0.212 11.026 5.497 1.00 0.00 C ATOM 1243 CZ TYR A 77 -1.447 10.975 4.885 1.00 0.00 C ATOM 1244 OH TYR A 77 -2.060 12.138 4.482 1.00 0.00 O ATOM 0 H TYR A 77 1.629 5.106 6.440 1.00 0.00 H new ATOM 0 HA TYR A 77 0.047 6.302 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.208 6.801 6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.352 7.595 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.945 7.650 4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.369 9.900 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.039 9.724 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.274 11.977 5.660 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.488 12.903 4.702 1.00 0.00 H new ATOM 1254 N LEU A 78 1.736 7.700 3.144 1.00 0.00 N ATOM 1255 CA LEU A 78 2.743 8.371 2.347 1.00 0.00 C ATOM 1256 C LEU A 78 2.546 9.880 2.426 1.00 0.00 C ATOM 1257 O LEU A 78 1.488 10.356 2.836 1.00 0.00 O ATOM 1258 CB LEU A 78 2.670 7.908 0.892 1.00 0.00 C ATOM 1259 CG LEU A 78 2.701 6.393 0.701 1.00 0.00 C ATOM 1260 CD1 LEU A 78 1.382 5.770 1.134 1.00 0.00 C ATOM 1261 CD2 LEU A 78 3.016 6.043 -0.745 1.00 0.00 C ATOM 0 H LEU A 78 0.789 7.775 2.774 1.00 0.00 H new ATOM 0 HA LEU A 78 3.727 8.118 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.755 8.298 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.503 8.347 0.343 1.00 0.00 H new ATOM 0 HG LEU A 78 3.491 5.983 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.425 4.690 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.205 5.989 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.570 6.184 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.034 4.959 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.251 6.466 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.989 6.453 -1.015 1.00 0.00 H new ATOM 1273 N GLY A 79 3.571 10.626 2.048 1.00 0.00 N ATOM 1274 CA GLY A 79 3.499 12.075 2.094 1.00 0.00 C ATOM 1275 C GLY A 79 2.275 12.642 1.392 1.00 0.00 C ATOM 1276 O GLY A 79 2.257 12.766 0.168 1.00 0.00 O ATOM 0 H GLY A 79 4.458 10.254 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.494 12.398 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.396 12.491 1.636 1.00 0.00 H new ATOM 1280 N GLN A 80 1.255 12.995 2.178 1.00 0.00 N ATOM 1281 CA GLN A 80 0.017 13.565 1.649 1.00 0.00 C ATOM 1282 C GLN A 80 -0.794 12.507 0.927 1.00 0.00 C ATOM 1283 O GLN A 80 -1.599 12.812 0.048 1.00 0.00 O ATOM 1284 CB GLN A 80 0.307 14.753 0.722 1.00 0.00 C ATOM 1285 CG GLN A 80 0.983 15.911 1.437 1.00 0.00 C ATOM 1286 CD GLN A 80 2.270 15.487 2.109 1.00 0.00 C ATOM 1287 OE1 GLN A 80 3.322 15.402 1.474 1.00 0.00 O ATOM 1288 NE2 GLN A 80 2.181 15.174 3.396 1.00 0.00 N ATOM 0 H GLN A 80 1.265 12.894 3.193 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.570 13.932 2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.941 14.420 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.628 15.100 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.192 16.706 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.303 16.323 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.288 15.260 3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.006 14.847 3.900 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.574 11.259 1.314 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.284 10.144 0.715 1.00 0.00 C ATOM 1299 C VAL A 81 -1.334 8.954 1.669 1.00 0.00 C ATOM 1300 O VAL A 81 -0.521 8.852 2.584 1.00 0.00 O ATOM 1301 CB VAL A 81 -0.618 9.715 -0.604 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -1.335 8.518 -1.213 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -0.582 10.876 -1.587 1.00 0.00 C ATOM 0 H VAL A 81 0.091 10.995 2.041 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.301 10.476 0.508 1.00 0.00 H new ATOM 0 HB VAL A 81 0.407 9.417 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.844 8.235 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.301 7.681 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.373 8.780 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.107 10.553 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.599 11.207 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.014 11.700 -1.156 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.292 8.058 1.445 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.442 6.871 2.283 1.00 0.00 C ATOM 1315 C ALA A 82 -2.603 5.623 1.425 1.00 0.00 C ATOM 1316 O ALA A 82 -3.240 5.664 0.372 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.634 7.029 3.216 1.00 0.00 C ATOM 0 H ALA A 82 -2.975 8.131 0.691 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.540 6.760 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.733 6.137 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.483 7.899 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.541 7.165 2.627 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.026 4.512 1.871 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.115 3.262 1.127 1.00 0.00 C ATOM 1325 C ILE A 83 -2.315 2.084 2.075 1.00 0.00 C ATOM 1326 O ILE A 83 -1.683 2.011 3.131 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.850 3.042 0.268 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.737 4.136 -0.795 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.851 1.664 -0.385 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.449 3.967 -1.720 1.00 0.00 C ATOM 0 H ILE A 83 -1.494 4.452 2.739 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.977 3.328 0.464 1.00 0.00 H new ATOM 0 HB ILE A 83 0.017 3.095 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.651 4.148 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.665 5.105 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.053 1.543 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.881 0.895 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.726 1.567 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.463 4.780 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.370 3.985 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.369 3.014 -2.243 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.201 1.166 1.696 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.475 -0.002 2.527 1.00 0.00 C ATOM 1344 C LEU A 84 -3.596 -1.270 1.692 1.00 0.00 C ATOM 1345 O LEU A 84 -4.505 -1.406 0.874 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.747 0.209 3.354 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.919 0.851 2.611 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -7.216 0.632 3.376 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.671 2.340 2.415 1.00 0.00 C ATOM 0 H LEU A 84 -3.736 1.207 0.828 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.629 -0.126 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.071 -0.757 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.501 0.831 4.214 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.007 0.379 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.041 1.095 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.403 -0.437 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.135 1.081 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.514 2.783 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.560 2.821 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.761 2.484 1.833 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.670 -2.198 1.914 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.664 -3.466 1.194 1.00 0.00 C ATOM 1363 C LEU A 85 -3.220 -4.584 2.070 1.00 0.00 C ATOM 1364 O LEU A 85 -2.813 -4.746 3.220 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.245 -3.809 0.733 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.079 -5.189 0.093 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.940 -5.310 -1.155 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.383 -5.448 -0.239 1.00 0.00 C ATOM 0 H LEU A 85 -1.912 -2.095 2.589 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.303 -3.366 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.921 -3.054 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.576 -3.742 1.591 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.409 -5.941 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.807 -6.299 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.988 -5.169 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.643 -4.549 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.484 -6.434 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.738 -4.689 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.976 -5.407 0.674 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.153 -5.349 1.521 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.767 -6.449 2.253 1.00 0.00 C ATOM 1382 C PHE A 86 -5.232 -7.550 1.310 1.00 0.00 C ATOM 1383 O PHE A 86 -5.453 -7.313 0.123 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.945 -5.946 3.090 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.797 -4.928 2.386 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.324 -3.645 2.172 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -8.066 -5.255 1.937 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -7.099 -2.704 1.526 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.847 -4.317 1.289 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.363 -3.039 1.084 1.00 0.00 C ATOM 0 H PHE A 86 -4.502 -5.228 0.570 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.011 -6.866 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.568 -6.795 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.563 -5.511 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.336 -3.377 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.449 -6.253 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.717 -1.706 1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.835 -4.583 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.972 -2.304 0.579 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.374 -8.756 1.848 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.808 -9.895 1.054 1.00 0.00 C ATOM 1402 C LYS A 87 -6.647 -10.851 1.888 1.00 0.00 C ATOM 1403 O LYS A 87 -6.628 -10.801 3.117 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.593 -10.620 0.469 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.667 -11.226 1.514 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.092 -12.633 1.909 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.930 -13.609 0.754 1.00 0.00 C ATOM 1408 NZ LYS A 87 -2.524 -13.667 0.268 1.00 0.00 N ATOM 0 H LYS A 87 -5.195 -8.968 2.829 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.429 -9.529 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.941 -11.411 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.024 -9.919 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.649 -11.251 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.654 -10.590 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.496 -12.970 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.132 -12.622 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.245 -14.603 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.585 -13.314 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.407 -14.489 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.302 -12.797 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.880 -13.756 1.079 1.00 0.00 H new ATOM 1422 N SER A 88 -7.383 -11.718 1.209 1.00 0.00 N ATOM 1423 CA SER A 88 -8.236 -12.689 1.889 1.00 0.00 C ATOM 1424 C SER A 88 -7.512 -14.018 2.076 1.00 0.00 C ATOM 1425 O SER A 88 -6.457 -14.251 1.487 1.00 0.00 O ATOM 1426 CB SER A 88 -9.522 -12.913 1.100 1.00 0.00 C ATOM 1427 OG SER A 88 -9.252 -13.473 -0.174 1.00 0.00 O ATOM 0 H SER A 88 -7.409 -11.772 0.191 1.00 0.00 H new ATOM 0 HA SER A 88 -8.482 -12.285 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.183 -13.575 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.047 -11.966 0.980 1.00 0.00 H new ATOM 0 HG SER A 88 -10.094 -13.608 -0.657 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.088 -14.890 2.897 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.484 -16.186 3.145 1.00 0.00 C ATOM 1435 C GLY A 89 -8.168 -17.302 2.379 1.00 0.00 C ATOM 1436 O GLY A 89 -8.113 -17.286 1.132 1.00 0.00 O ATOM 1437 OXT GLY A 89 -8.758 -18.191 3.027 1.00 0.00 O ATOM 0 H GLY A 89 -8.962 -14.722 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.431 -16.151 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.525 -16.404 4.212 1.00 0.00 H new TER 1441 GLY A 89