USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 640 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 14 LYS NZ :NH3+ -154:sc= -0.0937 (180deg=-0.824) USER MOD Set 1.2: A 20 HIS : no HD1:sc= -0.79 K(o=-0.88,f=-2.3) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.346 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.047) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -103:sc= -0.718 USER MOD Single : A 48 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -121:sc= 0.147 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.92) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 131:sc= -0.0489 (180deg=-0.381) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 86 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -0.689 K(o=-0.69,f=-3.6) USER MOD Single : A 89 LYS NZ :NH3+ 151:sc=-0.00948 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 3.991 -0.715 -1.924 1.00 30.34 N ATOM 19 CA THR A 2 5.201 -1.524 -1.854 1.00 64.11 C ATOM 20 C THR A 2 6.407 -0.677 -1.465 1.00 2.24 C ATOM 21 O THR A 2 7.386 -1.187 -0.918 1.00 54.35 O ATOM 22 CB THR A 2 5.490 -2.220 -3.198 1.00 32.24 C ATOM 23 OG1 THR A 2 5.911 -1.256 -4.169 1.00 1.34 O ATOM 24 CG2 THR A 2 4.256 -2.951 -3.704 1.00 73.41 C ATOM 0 HA THR A 2 5.030 -2.282 -1.089 1.00 64.11 H new ATOM 0 HB THR A 2 6.286 -2.948 -3.041 1.00 32.24 H new ATOM 0 HG1 THR A 2 6.094 -1.707 -5.020 1.00 1.34 H new ATOM 0 HG21 THR A 2 4.484 -3.435 -4.654 1.00 73.41 H new ATOM 0 HG22 THR A 2 3.955 -3.704 -2.976 1.00 73.41 H new ATOM 0 HG23 THR A 2 3.443 -2.238 -3.845 1.00 73.41 H new ATOM 32 N ARG A 3 6.330 0.619 -1.748 1.00 43.33 N ATOM 33 CA ARG A 3 7.416 1.537 -1.428 1.00 5.43 C ATOM 34 C ARG A 3 7.822 1.409 0.038 1.00 41.12 C ATOM 35 O ARG A 3 6.976 1.225 0.913 1.00 54.33 O ATOM 36 CB ARG A 3 7.000 2.978 -1.728 1.00 44.45 C ATOM 37 CG ARG A 3 7.279 3.407 -3.160 1.00 21.31 C ATOM 38 CD ARG A 3 6.564 2.510 -4.159 1.00 3.22 C ATOM 39 NE ARG A 3 7.349 1.323 -4.489 1.00 11.45 N ATOM 40 CZ ARG A 3 8.383 1.334 -5.322 1.00 41.30 C ATOM 41 NH1 ARG A 3 8.756 2.464 -5.907 1.00 15.52 N ATOM 42 NH2 ARG A 3 9.048 0.213 -5.572 1.00 15.23 N ATOM 0 H ARG A 3 5.526 1.057 -2.198 1.00 43.33 H new ATOM 0 HA ARG A 3 8.273 1.276 -2.049 1.00 5.43 H new ATOM 0 HB2 ARG A 3 5.935 3.089 -1.525 1.00 44.45 H new ATOM 0 HB3 ARG A 3 7.526 3.648 -1.048 1.00 44.45 H new ATOM 0 HG2 ARG A 3 6.958 4.439 -3.301 1.00 21.31 H new ATOM 0 HG3 ARG A 3 8.352 3.379 -3.347 1.00 21.31 H new ATOM 0 HD2 ARG A 3 5.601 2.205 -3.748 1.00 3.22 H new ATOM 0 HD3 ARG A 3 6.358 3.073 -5.069 1.00 3.22 H new ATOM 0 HE ARG A 3 7.089 0.437 -4.056 1.00 11.45 H new ATOM 0 HH11 ARG A 3 8.248 3.328 -5.718 1.00 15.52 H new ATOM 0 HH12 ARG A 3 9.551 2.469 -6.546 1.00 15.52 H new ATOM 0 HH21 ARG A 3 8.765 -0.659 -5.124 1.00 15.23 H new ATOM 0 HH22 ARG A 3 9.842 0.223 -6.212 1.00 15.23 H new ATOM 56 N ASP A 4 9.121 1.507 0.297 1.00 22.33 N ATOM 57 CA ASP A 4 9.639 1.402 1.656 1.00 4.14 C ATOM 58 C ASP A 4 9.222 2.608 2.491 1.00 14.55 C ATOM 59 O ASP A 4 8.676 3.580 1.968 1.00 34.00 O ATOM 60 CB ASP A 4 11.164 1.284 1.636 1.00 61.30 C ATOM 61 CG ASP A 4 11.709 0.611 2.880 1.00 3.05 C ATOM 62 OD1 ASP A 4 11.591 -0.628 2.986 1.00 13.10 O ATOM 63 OD2 ASP A 4 12.255 1.323 3.749 1.00 43.45 O ATOM 0 H ASP A 4 9.834 1.659 -0.416 1.00 22.33 H new ATOM 0 HA ASP A 4 9.218 0.505 2.110 1.00 4.14 H new ATOM 0 HB2 ASP A 4 11.470 0.718 0.756 1.00 61.30 H new ATOM 0 HB3 ASP A 4 11.601 2.278 1.543 1.00 61.30 H new ATOM 68 N PHE A 5 9.481 2.539 3.793 1.00 51.10 N ATOM 69 CA PHE A 5 9.130 3.625 4.701 1.00 20.43 C ATOM 70 C PHE A 5 10.383 4.297 5.255 1.00 51.12 C ATOM 71 O PHE A 5 11.505 3.908 4.931 1.00 3.10 O ATOM 72 CB PHE A 5 8.270 3.097 5.852 1.00 50.42 C ATOM 73 CG PHE A 5 6.794 3.220 5.602 1.00 40.11 C ATOM 74 CD1 PHE A 5 6.138 4.421 5.822 1.00 22.31 C ATOM 75 CD2 PHE A 5 6.063 2.135 5.146 1.00 15.22 C ATOM 76 CE1 PHE A 5 4.780 4.536 5.594 1.00 60.13 C ATOM 77 CE2 PHE A 5 4.704 2.245 4.916 1.00 60.34 C ATOM 78 CZ PHE A 5 4.062 3.447 5.139 1.00 43.03 C ATOM 0 H PHE A 5 9.933 1.743 4.243 1.00 51.10 H new ATOM 0 HA PHE A 5 8.560 4.365 4.140 1.00 20.43 H new ATOM 0 HB2 PHE A 5 8.515 2.049 6.027 1.00 50.42 H new ATOM 0 HB3 PHE A 5 8.523 3.640 6.763 1.00 50.42 H new ATOM 0 HD1 PHE A 5 6.694 5.276 6.176 1.00 22.31 H new ATOM 0 HD2 PHE A 5 6.560 1.193 4.968 1.00 15.22 H new ATOM 0 HE1 PHE A 5 4.280 5.477 5.771 1.00 60.13 H new ATOM 0 HE2 PHE A 5 4.145 1.391 4.562 1.00 60.34 H new ATOM 0 HZ PHE A 5 3.001 3.536 4.958 1.00 43.03 H new ATOM 88 N LYS A 6 10.183 5.310 6.092 1.00 71.34 N ATOM 89 CA LYS A 6 11.294 6.038 6.692 1.00 25.30 C ATOM 90 C LYS A 6 11.459 5.664 8.162 1.00 62.24 C ATOM 91 O LYS A 6 10.541 5.153 8.804 1.00 64.54 O ATOM 92 CB LYS A 6 11.073 7.546 6.560 1.00 5.33 C ATOM 93 CG LYS A 6 11.550 8.117 5.236 1.00 0.50 C ATOM 94 CD LYS A 6 12.887 8.824 5.383 1.00 40.45 C ATOM 95 CE LYS A 6 13.215 9.656 4.152 1.00 3.43 C ATOM 96 NZ LYS A 6 12.650 11.031 4.245 1.00 21.02 N ATOM 0 H LYS A 6 9.261 5.645 6.370 1.00 71.34 H new ATOM 0 HA LYS A 6 12.205 5.763 6.161 1.00 25.30 H new ATOM 0 HB2 LYS A 6 10.011 7.761 6.677 1.00 5.33 H new ATOM 0 HB3 LYS A 6 11.592 8.053 7.373 1.00 5.33 H new ATOM 0 HG2 LYS A 6 11.640 7.314 4.504 1.00 0.50 H new ATOM 0 HG3 LYS A 6 10.808 8.817 4.852 1.00 0.50 H new ATOM 0 HD2 LYS A 6 12.865 9.467 6.263 1.00 40.45 H new ATOM 0 HD3 LYS A 6 13.674 8.087 5.546 1.00 40.45 H new ATOM 0 HE2 LYS A 6 14.297 9.715 4.031 1.00 3.43 H new ATOM 0 HE3 LYS A 6 12.822 9.161 3.264 1.00 3.43 H new ATOM 0 HZ1 LYS A 6 12.895 11.566 3.387 1.00 21.02 H new ATOM 0 HZ2 LYS A 6 11.615 10.976 4.335 1.00 21.02 H new ATOM 0 HZ3 LYS A 6 13.044 11.513 5.078 1.00 21.02 H new ATOM 110 N PRO A 7 12.655 5.925 8.709 1.00 25.01 N ATOM 111 CA PRO A 7 12.967 5.626 10.110 1.00 64.52 C ATOM 112 C PRO A 7 12.217 6.534 11.078 1.00 73.42 C ATOM 113 O PRO A 7 12.401 7.750 11.072 1.00 13.05 O ATOM 114 CB PRO A 7 14.474 5.878 10.199 1.00 25.04 C ATOM 115 CG PRO A 7 14.760 6.854 9.111 1.00 44.02 C ATOM 116 CD PRO A 7 13.796 6.533 8.003 1.00 14.30 C ATOM 0 HA PRO A 7 12.673 4.613 10.386 1.00 64.52 H new ATOM 0 HB2 PRO A 7 14.751 6.279 11.174 1.00 25.04 H new ATOM 0 HB3 PRO A 7 15.038 4.956 10.062 1.00 25.04 H new ATOM 0 HG2 PRO A 7 14.626 7.878 9.460 1.00 44.02 H new ATOM 0 HG3 PRO A 7 15.791 6.766 8.769 1.00 44.02 H new ATOM 0 HD2 PRO A 7 13.500 7.428 7.456 1.00 14.30 H new ATOM 0 HD3 PRO A 7 14.232 5.846 7.277 1.00 14.30 H new ATOM 124 N GLY A 8 11.370 5.934 11.909 1.00 75.11 N ATOM 125 CA GLY A 8 10.604 6.704 12.871 1.00 1.34 C ATOM 126 C GLY A 8 9.276 7.176 12.312 1.00 23.44 C ATOM 127 O GLY A 8 8.790 8.249 12.670 1.00 65.14 O ATOM 0 H GLY A 8 11.201 4.928 11.933 1.00 75.11 H new ATOM 0 HA2 GLY A 8 10.426 6.096 13.758 1.00 1.34 H new ATOM 0 HA3 GLY A 8 11.189 7.568 13.188 1.00 1.34 H new ATOM 131 N ASP A 9 8.689 6.373 11.432 1.00 34.21 N ATOM 132 CA ASP A 9 7.409 6.714 10.822 1.00 72.14 C ATOM 133 C ASP A 9 6.264 5.984 11.516 1.00 34.04 C ATOM 134 O ASP A 9 6.373 4.800 11.839 1.00 55.12 O ATOM 135 CB ASP A 9 7.422 6.367 9.332 1.00 53.51 C ATOM 136 CG ASP A 9 7.767 7.561 8.463 1.00 71.20 C ATOM 137 OD1 ASP A 9 8.756 8.256 8.776 1.00 71.32 O ATOM 138 OD2 ASP A 9 7.047 7.800 7.470 1.00 4.44 O ATOM 0 H ASP A 9 9.079 5.482 11.125 1.00 34.21 H new ATOM 0 HA ASP A 9 7.254 7.787 10.937 1.00 72.14 H new ATOM 0 HB2 ASP A 9 8.144 5.570 9.154 1.00 53.51 H new ATOM 0 HB3 ASP A 9 6.444 5.981 9.043 1.00 53.51 H new ATOM 143 N LEU A 10 5.167 6.697 11.745 1.00 13.43 N ATOM 144 CA LEU A 10 4.001 6.118 12.403 1.00 14.02 C ATOM 145 C LEU A 10 3.164 5.310 11.416 1.00 21.14 C ATOM 146 O LEU A 10 2.613 5.857 10.461 1.00 42.22 O ATOM 147 CB LEU A 10 3.145 7.220 13.032 1.00 64.41 C ATOM 148 CG LEU A 10 3.817 8.047 14.129 1.00 72.13 C ATOM 149 CD1 LEU A 10 4.574 7.144 15.090 1.00 0.32 C ATOM 150 CD2 LEU A 10 4.750 9.083 13.519 1.00 24.34 C ATOM 0 H LEU A 10 5.060 7.677 11.485 1.00 13.43 H new ATOM 0 HA LEU A 10 4.353 5.448 13.187 1.00 14.02 H new ATOM 0 HB2 LEU A 10 2.821 7.897 12.241 1.00 64.41 H new ATOM 0 HB3 LEU A 10 2.247 6.763 13.448 1.00 64.41 H new ATOM 0 HG LEU A 10 3.043 8.570 14.690 1.00 72.13 H new ATOM 0 HD11 LEU A 10 5.046 7.750 15.864 1.00 0.32 H new ATOM 0 HD12 LEU A 10 3.880 6.441 15.552 1.00 0.32 H new ATOM 0 HD13 LEU A 10 5.340 6.592 14.544 1.00 0.32 H new ATOM 0 HD21 LEU A 10 5.220 9.662 14.314 1.00 24.34 H new ATOM 0 HD22 LEU A 10 5.519 8.580 12.934 1.00 24.34 H new ATOM 0 HD23 LEU A 10 4.180 9.750 12.872 1.00 24.34 H new ATOM 162 N ILE A 11 3.072 4.006 11.656 1.00 41.13 N ATOM 163 CA ILE A 11 2.300 3.124 10.790 1.00 71.31 C ATOM 164 C ILE A 11 1.743 1.938 11.570 1.00 62.51 C ATOM 165 O ILE A 11 2.400 1.407 12.466 1.00 34.02 O ATOM 166 CB ILE A 11 3.150 2.599 9.618 1.00 44.41 C ATOM 167 CG1 ILE A 11 4.384 1.862 10.144 1.00 54.21 C ATOM 168 CG2 ILE A 11 3.561 3.746 8.707 1.00 51.53 C ATOM 169 CD1 ILE A 11 4.192 0.366 10.255 1.00 75.24 C ATOM 0 H ILE A 11 3.522 3.538 12.442 1.00 41.13 H new ATOM 0 HA ILE A 11 1.475 3.715 10.393 1.00 71.31 H new ATOM 0 HB ILE A 11 2.550 1.897 9.039 1.00 44.41 H new ATOM 0 HG12 ILE A 11 5.227 2.064 9.483 1.00 54.21 H new ATOM 0 HG13 ILE A 11 4.645 2.261 11.124 1.00 54.21 H new ATOM 0 HG21 ILE A 11 4.161 3.359 7.883 1.00 51.53 H new ATOM 0 HG22 ILE A 11 2.670 4.232 8.310 1.00 51.53 H new ATOM 0 HG23 ILE A 11 4.147 4.469 9.274 1.00 51.53 H new ATOM 0 HD11 ILE A 11 5.106 -0.091 10.634 1.00 75.24 H new ATOM 0 HD12 ILE A 11 3.370 0.154 10.939 1.00 75.24 H new ATOM 0 HD13 ILE A 11 3.961 -0.045 9.272 1.00 75.24 H new ATOM 181 N PHE A 12 0.529 1.525 11.222 1.00 70.24 N ATOM 182 CA PHE A 12 -0.117 0.400 11.888 1.00 24.03 C ATOM 183 C PHE A 12 0.418 -0.927 11.357 1.00 3.25 C ATOM 184 O PHE A 12 0.183 -1.287 10.205 1.00 55.45 O ATOM 185 CB PHE A 12 -1.633 0.466 11.693 1.00 2.15 C ATOM 186 CG PHE A 12 -2.339 1.262 12.753 1.00 12.41 C ATOM 187 CD1 PHE A 12 -1.807 2.457 13.210 1.00 12.44 C ATOM 188 CD2 PHE A 12 -3.535 0.816 13.292 1.00 54.54 C ATOM 189 CE1 PHE A 12 -2.455 3.192 14.186 1.00 61.51 C ATOM 190 CE2 PHE A 12 -4.188 1.547 14.267 1.00 22.42 C ATOM 191 CZ PHE A 12 -3.647 2.736 14.714 1.00 12.30 C ATOM 0 H PHE A 12 -0.028 1.953 10.482 1.00 70.24 H new ATOM 0 HA PHE A 12 0.108 0.463 12.953 1.00 24.03 H new ATOM 0 HB2 PHE A 12 -1.847 0.904 10.718 1.00 2.15 H new ATOM 0 HB3 PHE A 12 -2.035 -0.547 11.683 1.00 2.15 H new ATOM 0 HD1 PHE A 12 -0.876 2.819 12.799 1.00 12.44 H new ATOM 0 HD2 PHE A 12 -3.962 -0.114 12.946 1.00 54.54 H new ATOM 0 HE1 PHE A 12 -2.029 4.121 14.535 1.00 61.51 H new ATOM 0 HE2 PHE A 12 -5.120 1.188 14.678 1.00 22.42 H new ATOM 0 HZ PHE A 12 -4.155 3.309 15.476 1.00 12.30 H new ATOM 201 N ALA A 13 1.140 -1.649 12.208 1.00 63.54 N ATOM 202 CA ALA A 13 1.708 -2.937 11.826 1.00 53.43 C ATOM 203 C ALA A 13 0.656 -4.039 11.883 1.00 73.05 C ATOM 204 O ALA A 13 -0.036 -4.201 12.888 1.00 2.24 O ATOM 205 CB ALA A 13 2.886 -3.282 12.725 1.00 53.32 C ATOM 0 H ALA A 13 1.345 -1.364 13.166 1.00 63.54 H new ATOM 0 HA ALA A 13 2.061 -2.860 10.797 1.00 53.43 H new ATOM 0 HB1 ALA A 13 3.300 -4.246 12.428 1.00 53.32 H new ATOM 0 HB2 ALA A 13 3.653 -2.513 12.631 1.00 53.32 H new ATOM 0 HB3 ALA A 13 2.550 -3.335 13.761 1.00 53.32 H new ATOM 211 N LYS A 14 0.539 -4.795 10.796 1.00 34.33 N ATOM 212 CA LYS A 14 -0.429 -5.884 10.722 1.00 41.53 C ATOM 213 C LYS A 14 0.276 -7.233 10.627 1.00 41.22 C ATOM 214 O LYS A 14 0.822 -7.586 9.582 1.00 2.10 O ATOM 215 CB LYS A 14 -1.351 -5.692 9.515 1.00 1.14 C ATOM 216 CG LYS A 14 -2.423 -6.761 9.394 1.00 53.44 C ATOM 217 CD LYS A 14 -3.516 -6.576 10.434 1.00 44.55 C ATOM 218 CE LYS A 14 -4.742 -7.416 10.110 1.00 44.54 C ATOM 219 NZ LYS A 14 -5.305 -7.082 8.772 1.00 22.10 N ATOM 0 H LYS A 14 1.102 -4.674 9.954 1.00 34.33 H new ATOM 0 HA LYS A 14 -1.026 -5.870 11.634 1.00 41.53 H new ATOM 0 HB2 LYS A 14 -1.830 -4.715 9.586 1.00 1.14 H new ATOM 0 HB3 LYS A 14 -0.750 -5.687 8.606 1.00 1.14 H new ATOM 0 HG2 LYS A 14 -2.860 -6.728 8.396 1.00 53.44 H new ATOM 0 HG3 LYS A 14 -1.971 -7.746 9.511 1.00 53.44 H new ATOM 0 HD2 LYS A 14 -3.134 -6.851 11.417 1.00 44.55 H new ATOM 0 HD3 LYS A 14 -3.797 -5.524 10.484 1.00 44.55 H new ATOM 0 HE2 LYS A 14 -4.476 -8.473 10.139 1.00 44.54 H new ATOM 0 HE3 LYS A 14 -5.503 -7.258 10.874 1.00 44.54 H new ATOM 0 HZ1 LYS A 14 -6.320 -7.310 8.756 1.00 22.10 H new ATOM 0 HZ2 LYS A 14 -5.175 -6.067 8.584 1.00 22.10 H new ATOM 0 HZ3 LYS A 14 -4.814 -7.635 8.041 1.00 22.10 H new ATOM 233 N MET A 15 0.259 -7.983 11.724 1.00 52.12 N ATOM 234 CA MET A 15 0.895 -9.295 11.762 1.00 15.22 C ATOM 235 C MET A 15 -0.052 -10.373 11.244 1.00 12.04 C ATOM 236 O MET A 15 -1.249 -10.354 11.533 1.00 40.31 O ATOM 237 CB MET A 15 1.336 -9.630 13.188 1.00 4.51 C ATOM 238 CG MET A 15 2.777 -9.246 13.483 1.00 24.45 C ATOM 239 SD MET A 15 3.950 -10.528 13.001 1.00 71.34 S ATOM 240 CE MET A 15 4.005 -11.517 14.493 1.00 15.22 C ATOM 0 H MET A 15 -0.188 -7.705 12.598 1.00 52.12 H new ATOM 0 HA MET A 15 1.772 -9.265 11.115 1.00 15.22 H new ATOM 0 HB2 MET A 15 0.680 -9.118 13.892 1.00 4.51 H new ATOM 0 HB3 MET A 15 1.212 -10.700 13.357 1.00 4.51 H new ATOM 0 HG2 MET A 15 3.018 -8.322 12.957 1.00 24.45 H new ATOM 0 HG3 MET A 15 2.884 -9.043 14.549 1.00 24.45 H new ATOM 0 HE1 MET A 15 4.691 -12.352 14.351 1.00 15.22 H new ATOM 0 HE2 MET A 15 4.349 -10.902 15.325 1.00 15.22 H new ATOM 0 HE3 MET A 15 3.008 -11.899 14.713 1.00 15.22 H new ATOM 250 N LYS A 16 0.491 -11.313 10.478 1.00 41.40 N ATOM 251 CA LYS A 16 -0.304 -12.400 9.920 1.00 32.03 C ATOM 252 C LYS A 16 -1.093 -13.114 11.014 1.00 42.43 C ATOM 253 O LYS A 16 -0.520 -13.802 11.857 1.00 21.10 O ATOM 254 CB LYS A 16 0.599 -13.399 9.193 1.00 31.14 C ATOM 255 CG LYS A 16 1.210 -12.849 7.916 1.00 33.30 C ATOM 256 CD LYS A 16 1.696 -13.964 7.006 1.00 62.43 C ATOM 257 CE LYS A 16 2.898 -14.684 7.599 1.00 34.10 C ATOM 258 NZ LYS A 16 3.742 -15.314 6.547 1.00 71.43 N ATOM 0 H LYS A 16 1.480 -11.344 10.229 1.00 41.40 H new ATOM 0 HA LYS A 16 -1.009 -11.972 9.208 1.00 32.03 H new ATOM 0 HB2 LYS A 16 1.400 -13.708 9.865 1.00 31.14 H new ATOM 0 HB3 LYS A 16 0.021 -14.292 8.954 1.00 31.14 H new ATOM 0 HG2 LYS A 16 0.472 -12.244 7.389 1.00 33.30 H new ATOM 0 HG3 LYS A 16 2.043 -12.191 8.164 1.00 33.30 H new ATOM 0 HD2 LYS A 16 0.889 -14.677 6.840 1.00 62.43 H new ATOM 0 HD3 LYS A 16 1.962 -13.551 6.033 1.00 62.43 H new ATOM 0 HE2 LYS A 16 3.499 -13.977 8.171 1.00 34.10 H new ATOM 0 HE3 LYS A 16 2.556 -15.449 8.296 1.00 34.10 H new ATOM 0 HZ1 LYS A 16 4.550 -15.794 6.992 1.00 71.43 H new ATOM 0 HZ2 LYS A 16 3.176 -16.007 6.017 1.00 71.43 H new ATOM 0 HZ3 LYS A 16 4.090 -14.581 5.896 1.00 71.43 H new ATOM 272 N GLY A 17 -2.412 -12.945 10.992 1.00 64.30 N ATOM 273 CA GLY A 17 -3.257 -13.581 11.986 1.00 50.33 C ATOM 274 C GLY A 17 -3.461 -12.715 13.213 1.00 41.52 C ATOM 275 O GLY A 17 -3.778 -13.218 14.291 1.00 42.11 O ATOM 0 H GLY A 17 -2.910 -12.380 10.304 1.00 64.30 H new ATOM 0 HA2 GLY A 17 -4.226 -13.810 11.542 1.00 50.33 H new ATOM 0 HA3 GLY A 17 -2.811 -14.530 12.285 1.00 50.33 H new ATOM 279 N TYR A 18 -3.277 -11.409 13.050 1.00 34.04 N ATOM 280 CA TYR A 18 -3.439 -10.471 14.155 1.00 31.21 C ATOM 281 C TYR A 18 -4.002 -9.141 13.663 1.00 63.32 C ATOM 282 O TYR A 18 -3.826 -8.753 12.508 1.00 44.41 O ATOM 283 CB TYR A 18 -2.100 -10.242 14.858 1.00 63.34 C ATOM 284 CG TYR A 18 -1.397 -11.521 15.253 1.00 60.41 C ATOM 285 CD1 TYR A 18 -0.617 -12.220 14.340 1.00 51.24 C ATOM 286 CD2 TYR A 18 -1.512 -12.031 16.541 1.00 52.15 C ATOM 287 CE1 TYR A 18 0.026 -13.389 14.696 1.00 21.14 C ATOM 288 CE2 TYR A 18 -0.871 -13.199 16.907 1.00 54.24 C ATOM 289 CZ TYR A 18 -0.104 -13.874 15.981 1.00 60.41 C ATOM 290 OH TYR A 18 0.536 -15.038 16.341 1.00 63.23 O ATOM 0 H TYR A 18 -3.016 -10.976 12.164 1.00 34.04 H new ATOM 0 HA TYR A 18 -4.145 -10.903 14.864 1.00 31.21 H new ATOM 0 HB2 TYR A 18 -1.448 -9.667 14.201 1.00 63.34 H new ATOM 0 HB3 TYR A 18 -2.266 -9.638 15.750 1.00 63.34 H new ATOM 0 HD1 TYR A 18 -0.512 -11.842 13.334 1.00 51.24 H new ATOM 0 HD2 TYR A 18 -2.113 -11.505 17.268 1.00 52.15 H new ATOM 0 HE1 TYR A 18 0.627 -13.920 13.973 1.00 21.14 H new ATOM 0 HE2 TYR A 18 -0.970 -13.581 17.912 1.00 54.24 H new ATOM 0 HH TYR A 18 0.343 -15.241 17.280 1.00 63.23 H new ATOM 300 N PRO A 19 -4.695 -8.425 14.560 1.00 34.20 N ATOM 301 CA PRO A 19 -5.298 -7.127 14.242 1.00 63.22 C ATOM 302 C PRO A 19 -4.251 -6.038 14.035 1.00 11.54 C ATOM 303 O PRO A 19 -3.058 -6.261 14.245 1.00 52.24 O ATOM 304 CB PRO A 19 -6.152 -6.821 15.474 1.00 35.01 C ATOM 305 CG PRO A 19 -5.507 -7.581 16.581 1.00 75.50 C ATOM 306 CD PRO A 19 -4.945 -8.827 15.954 1.00 22.35 C ATOM 0 HA PRO A 19 -5.865 -7.157 13.311 1.00 63.22 H new ATOM 0 HB2 PRO A 19 -6.171 -5.752 15.687 1.00 35.01 H new ATOM 0 HB3 PRO A 19 -7.185 -7.136 15.327 1.00 35.01 H new ATOM 0 HG2 PRO A 19 -4.720 -6.992 17.052 1.00 75.50 H new ATOM 0 HG3 PRO A 19 -6.230 -7.827 17.359 1.00 75.50 H new ATOM 0 HD2 PRO A 19 -4.029 -9.148 16.450 1.00 22.35 H new ATOM 0 HD3 PRO A 19 -5.648 -9.658 16.013 1.00 22.35 H new ATOM 314 N HIS A 20 -4.705 -4.858 13.624 1.00 1.32 N ATOM 315 CA HIS A 20 -3.807 -3.732 13.391 1.00 62.34 C ATOM 316 C HIS A 20 -3.359 -3.111 14.710 1.00 32.44 C ATOM 317 O HIS A 20 -4.114 -3.086 15.683 1.00 42.03 O ATOM 318 CB HIS A 20 -4.493 -2.676 12.524 1.00 71.44 C ATOM 319 CG HIS A 20 -5.101 -3.231 11.272 1.00 22.43 C ATOM 320 ND1 HIS A 20 -6.271 -3.961 11.263 1.00 2.03 N ATOM 321 CD2 HIS A 20 -4.695 -3.159 9.983 1.00 4.42 C ATOM 322 CE1 HIS A 20 -6.557 -4.314 10.023 1.00 32.51 C ATOM 323 NE2 HIS A 20 -5.616 -3.840 9.227 1.00 55.43 N ATOM 0 H HIS A 20 -5.689 -4.657 13.446 1.00 1.32 H new ATOM 0 HA HIS A 20 -2.926 -4.105 12.868 1.00 62.34 H new ATOM 0 HB2 HIS A 20 -5.271 -2.186 13.110 1.00 71.44 H new ATOM 0 HB3 HIS A 20 -3.766 -1.909 12.256 1.00 71.44 H new ATOM 0 HD2 HIS A 20 -3.811 -2.659 9.617 1.00 4.42 H new ATOM 0 HE1 HIS A 20 -7.415 -4.892 9.713 1.00 32.51 H new ATOM 0 HE2 HIS A 20 -5.580 -3.960 8.215 1.00 55.43 H new ATOM 331 N TRP A 21 -2.128 -2.613 14.737 1.00 75.33 N ATOM 332 CA TRP A 21 -1.580 -1.993 15.938 1.00 75.32 C ATOM 333 C TRP A 21 -0.596 -0.886 15.578 1.00 23.32 C ATOM 334 O TRP A 21 0.230 -1.027 14.676 1.00 4.31 O ATOM 335 CB TRP A 21 -0.890 -3.044 16.809 1.00 11.22 C ATOM 336 CG TRP A 21 -0.289 -2.477 18.060 1.00 52.54 C ATOM 337 CD1 TRP A 21 0.969 -1.967 18.206 1.00 43.21 C ATOM 338 CD2 TRP A 21 -0.921 -2.364 19.339 1.00 13.53 C ATOM 339 NE1 TRP A 21 1.158 -1.544 19.500 1.00 54.34 N ATOM 340 CE2 TRP A 21 0.012 -1.775 20.215 1.00 65.24 C ATOM 341 CE3 TRP A 21 -2.186 -2.700 19.830 1.00 4.03 C ATOM 342 CZ2 TRP A 21 -0.280 -1.519 21.552 1.00 40.35 C ATOM 343 CZ3 TRP A 21 -2.474 -2.445 21.157 1.00 31.05 C ATOM 344 CH2 TRP A 21 -1.525 -1.858 22.006 1.00 74.54 C ATOM 0 H TRP A 21 -1.490 -2.626 13.941 1.00 75.33 H new ATOM 0 HA TRP A 21 -2.404 -1.552 16.498 1.00 75.32 H new ATOM 0 HB2 TRP A 21 -1.613 -3.814 17.078 1.00 11.22 H new ATOM 0 HB3 TRP A 21 -0.108 -3.531 16.227 1.00 11.22 H new ATOM 0 HD1 TRP A 21 1.707 -1.905 17.420 1.00 43.21 H new ATOM 0 HE1 TRP A 21 2.012 -1.126 19.868 1.00 54.34 H new ATOM 0 HE3 TRP A 21 -2.925 -3.151 19.184 1.00 4.03 H new ATOM 0 HZ2 TRP A 21 0.451 -1.069 22.208 1.00 40.35 H new ATOM 0 HZ3 TRP A 21 -3.448 -2.702 21.547 1.00 31.05 H new ATOM 0 HH2 TRP A 21 -1.782 -1.670 23.038 1.00 74.54 H new ATOM 355 N PRO A 22 -0.683 0.242 16.299 1.00 64.34 N ATOM 356 CA PRO A 22 0.194 1.394 16.073 1.00 4.53 C ATOM 357 C PRO A 22 1.633 1.119 16.496 1.00 45.41 C ATOM 358 O PRO A 22 1.895 0.753 17.641 1.00 14.45 O ATOM 359 CB PRO A 22 -0.422 2.486 16.952 1.00 44.01 C ATOM 360 CG PRO A 22 -1.144 1.746 18.025 1.00 44.23 C ATOM 361 CD PRO A 22 -1.644 0.479 17.389 1.00 25.50 C ATOM 0 HA PRO A 22 0.254 1.660 15.018 1.00 4.53 H new ATOM 0 HB2 PRO A 22 0.345 3.139 17.369 1.00 44.01 H new ATOM 0 HB3 PRO A 22 -1.102 3.118 16.380 1.00 44.01 H new ATOM 0 HG2 PRO A 22 -0.481 1.527 18.862 1.00 44.23 H new ATOM 0 HG3 PRO A 22 -1.970 2.338 18.419 1.00 44.23 H new ATOM 0 HD2 PRO A 22 -1.659 -0.348 18.099 1.00 25.50 H new ATOM 0 HD3 PRO A 22 -2.660 0.593 17.011 1.00 25.50 H new ATOM 369 N ALA A 23 2.564 1.299 15.564 1.00 73.52 N ATOM 370 CA ALA A 23 3.977 1.072 15.841 1.00 34.11 C ATOM 371 C ALA A 23 4.851 2.061 15.078 1.00 3.14 C ATOM 372 O ALA A 23 4.348 2.991 14.448 1.00 2.42 O ATOM 373 CB ALA A 23 4.361 -0.357 15.488 1.00 62.22 C ATOM 0 H ALA A 23 2.365 1.601 14.610 1.00 73.52 H new ATOM 0 HA ALA A 23 4.143 1.228 16.907 1.00 34.11 H new ATOM 0 HB1 ALA A 23 5.419 -0.512 15.700 1.00 62.22 H new ATOM 0 HB2 ALA A 23 3.766 -1.051 16.082 1.00 62.22 H new ATOM 0 HB3 ALA A 23 4.173 -0.533 14.429 1.00 62.22 H new ATOM 379 N ARG A 24 6.163 1.854 15.140 1.00 13.55 N ATOM 380 CA ARG A 24 7.107 2.730 14.457 1.00 62.21 C ATOM 381 C ARG A 24 8.086 1.919 13.613 1.00 44.33 C ATOM 382 O ARG A 24 8.223 0.709 13.792 1.00 50.02 O ATOM 383 CB ARG A 24 7.874 3.579 15.472 1.00 42.42 C ATOM 384 CG ARG A 24 8.929 2.803 16.243 1.00 62.13 C ATOM 385 CD ARG A 24 10.311 2.984 15.633 1.00 14.22 C ATOM 386 NE ARG A 24 10.740 4.380 15.656 1.00 21.22 N ATOM 387 CZ ARG A 24 11.973 4.774 15.357 1.00 12.44 C ATOM 388 NH1 ARG A 24 12.893 3.883 15.014 1.00 12.43 N ATOM 389 NH2 ARG A 24 12.287 6.063 15.401 1.00 23.31 N ATOM 0 H ARG A 24 6.596 1.088 15.656 1.00 13.55 H new ATOM 0 HA ARG A 24 6.542 3.388 13.797 1.00 62.21 H new ATOM 0 HB2 ARG A 24 8.353 4.408 14.951 1.00 42.42 H new ATOM 0 HB3 ARG A 24 7.166 4.013 16.178 1.00 42.42 H new ATOM 0 HG2 ARG A 24 8.942 3.137 17.281 1.00 62.13 H new ATOM 0 HG3 ARG A 24 8.670 1.744 16.252 1.00 62.13 H new ATOM 0 HD2 ARG A 24 11.031 2.374 16.179 1.00 14.22 H new ATOM 0 HD3 ARG A 24 10.303 2.624 14.604 1.00 14.22 H new ATOM 0 HE ARG A 24 10.056 5.091 15.916 1.00 21.22 H new ATOM 0 HH11 ARG A 24 12.655 2.892 14.979 1.00 12.43 H new ATOM 0 HH12 ARG A 24 13.839 4.189 14.785 1.00 12.43 H new ATOM 0 HH21 ARG A 24 11.582 6.751 15.664 1.00 23.31 H new ATOM 0 HH22 ARG A 24 13.234 6.365 15.171 1.00 23.31 H new ATOM 403 N VAL A 25 8.766 2.595 12.691 1.00 15.22 N ATOM 404 CA VAL A 25 9.732 1.939 11.819 1.00 24.34 C ATOM 405 C VAL A 25 11.158 2.168 12.308 1.00 10.44 C ATOM 406 O VAL A 25 11.539 3.292 12.638 1.00 34.24 O ATOM 407 CB VAL A 25 9.612 2.441 10.368 1.00 13.25 C ATOM 408 CG1 VAL A 25 10.668 1.791 9.488 1.00 32.53 C ATOM 409 CG2 VAL A 25 8.216 2.174 9.827 1.00 74.42 C ATOM 0 H VAL A 25 8.665 3.597 12.529 1.00 15.22 H new ATOM 0 HA VAL A 25 9.508 0.873 11.846 1.00 24.34 H new ATOM 0 HB VAL A 25 9.781 3.518 10.359 1.00 13.25 H new ATOM 0 HG11 VAL A 25 10.567 2.158 8.467 1.00 32.53 H new ATOM 0 HG12 VAL A 25 11.660 2.039 9.866 1.00 32.53 H new ATOM 0 HG13 VAL A 25 10.535 0.709 9.499 1.00 32.53 H new ATOM 0 HG21 VAL A 25 8.148 2.535 8.801 1.00 74.42 H new ATOM 0 HG22 VAL A 25 8.016 1.103 9.849 1.00 74.42 H new ATOM 0 HG23 VAL A 25 7.482 2.693 10.443 1.00 74.42 H new ATOM 419 N ASP A 26 11.942 1.097 12.352 1.00 43.20 N ATOM 420 CA ASP A 26 13.328 1.182 12.799 1.00 32.42 C ATOM 421 C ASP A 26 14.286 1.136 11.613 1.00 55.53 C ATOM 422 O ASP A 26 13.924 0.679 10.529 1.00 25.32 O ATOM 423 CB ASP A 26 13.643 0.042 13.769 1.00 64.30 C ATOM 424 CG ASP A 26 14.964 0.241 14.486 1.00 30.14 C ATOM 425 OD1 ASP A 26 14.966 0.884 15.556 1.00 2.54 O ATOM 426 OD2 ASP A 26 15.995 -0.246 13.978 1.00 64.15 O ATOM 0 H ASP A 26 11.642 0.160 12.084 1.00 43.20 H new ATOM 0 HA ASP A 26 13.461 2.134 13.313 1.00 32.42 H new ATOM 0 HB2 ASP A 26 12.842 -0.037 14.504 1.00 64.30 H new ATOM 0 HB3 ASP A 26 13.668 -0.900 13.222 1.00 64.30 H new ATOM 431 N GLU A 27 15.507 1.616 11.826 1.00 21.31 N ATOM 432 CA GLU A 27 16.515 1.631 10.773 1.00 45.41 C ATOM 433 C GLU A 27 17.208 0.276 10.662 1.00 32.04 C ATOM 434 O GLU A 27 16.981 -0.618 11.478 1.00 42.10 O ATOM 435 CB GLU A 27 17.551 2.725 11.044 1.00 60.31 C ATOM 436 CG GLU A 27 18.000 3.461 9.793 1.00 24.10 C ATOM 437 CD GLU A 27 18.843 4.682 10.106 1.00 42.01 C ATOM 438 OE1 GLU A 27 19.956 4.513 10.647 1.00 14.12 O ATOM 439 OE2 GLU A 27 18.390 5.807 9.809 1.00 53.14 O ATOM 0 H GLU A 27 15.822 1.999 12.717 1.00 21.31 H new ATOM 0 HA GLU A 27 16.013 1.841 9.829 1.00 45.41 H new ATOM 0 HB2 GLU A 27 17.132 3.444 11.748 1.00 60.31 H new ATOM 0 HB3 GLU A 27 18.421 2.278 11.525 1.00 60.31 H new ATOM 0 HG2 GLU A 27 18.572 2.781 9.162 1.00 24.10 H new ATOM 0 HG3 GLU A 27 17.124 3.766 9.221 1.00 24.10 H new ATOM 585 N ASN A 38 12.883 -9.810 3.262 1.00 71.22 N ATOM 586 CA ASN A 38 11.864 -9.154 2.450 1.00 64.11 C ATOM 587 C ASN A 38 10.886 -8.379 3.327 1.00 52.22 C ATOM 588 O ASN A 38 9.738 -8.150 2.944 1.00 62.12 O ATOM 589 CB ASN A 38 11.108 -10.186 1.611 1.00 32.44 C ATOM 590 CG ASN A 38 10.474 -9.576 0.377 1.00 52.34 C ATOM 591 OD1 ASN A 38 9.258 -9.638 0.194 1.00 31.20 O ATOM 592 ND2 ASN A 38 11.297 -8.981 -0.479 1.00 25.13 N ATOM 0 HA ASN A 38 12.363 -8.450 1.784 1.00 64.11 H new ATOM 0 HB2 ASN A 38 11.794 -10.978 1.310 1.00 32.44 H new ATOM 0 HB3 ASN A 38 10.334 -10.650 2.222 1.00 32.44 H new ATOM 0 HD21 ASN A 38 10.927 -8.552 -1.328 1.00 25.13 H new ATOM 0 HD22 ASN A 38 12.299 -8.953 -0.288 1.00 25.13 H new ATOM 599 N LYS A 39 11.348 -7.976 4.506 1.00 74.12 N ATOM 600 CA LYS A 39 10.515 -7.225 5.438 1.00 44.42 C ATOM 601 C LYS A 39 11.335 -6.164 6.166 1.00 41.13 C ATOM 602 O LYS A 39 12.553 -6.083 5.999 1.00 52.14 O ATOM 603 CB LYS A 39 9.869 -8.170 6.453 1.00 72.03 C ATOM 604 CG LYS A 39 9.270 -9.417 5.826 1.00 31.43 C ATOM 605 CD LYS A 39 8.682 -10.342 6.879 1.00 72.44 C ATOM 606 CE LYS A 39 8.591 -11.774 6.374 1.00 70.41 C ATOM 607 NZ LYS A 39 9.904 -12.473 6.447 1.00 3.41 N ATOM 0 H LYS A 39 12.295 -8.157 4.839 1.00 74.12 H new ATOM 0 HA LYS A 39 9.732 -6.726 4.866 1.00 44.42 H new ATOM 0 HB2 LYS A 39 10.617 -8.466 7.188 1.00 72.03 H new ATOM 0 HB3 LYS A 39 9.088 -7.633 6.991 1.00 72.03 H new ATOM 0 HG2 LYS A 39 8.493 -9.132 5.116 1.00 31.43 H new ATOM 0 HG3 LYS A 39 10.038 -9.947 5.262 1.00 31.43 H new ATOM 0 HD2 LYS A 39 9.298 -10.310 7.778 1.00 72.44 H new ATOM 0 HD3 LYS A 39 7.689 -9.990 7.160 1.00 72.44 H new ATOM 0 HE2 LYS A 39 7.855 -12.321 6.964 1.00 70.41 H new ATOM 0 HE3 LYS A 39 8.237 -11.774 5.343 1.00 70.41 H new ATOM 0 HZ1 LYS A 39 9.800 -13.446 6.094 1.00 3.41 H new ATOM 0 HZ2 LYS A 39 10.600 -11.966 5.864 1.00 3.41 H new ATOM 0 HZ3 LYS A 39 10.231 -12.496 7.434 1.00 3.41 H new ATOM 621 N LEU A 40 10.661 -5.354 6.974 1.00 10.32 N ATOM 622 CA LEU A 40 11.328 -4.299 7.730 1.00 55.55 C ATOM 623 C LEU A 40 11.050 -4.439 9.223 1.00 73.03 C ATOM 624 O LEU A 40 10.076 -5.066 9.642 1.00 42.52 O ATOM 625 CB LEU A 40 10.866 -2.925 7.240 1.00 11.43 C ATOM 626 CG LEU A 40 9.407 -2.827 6.792 1.00 63.00 C ATOM 627 CD1 LEU A 40 8.865 -1.428 7.040 1.00 20.13 C ATOM 628 CD2 LEU A 40 9.275 -3.199 5.322 1.00 21.24 C ATOM 0 H LEU A 40 9.653 -5.407 7.123 1.00 10.32 H new ATOM 0 HA LEU A 40 12.402 -4.394 7.570 1.00 55.55 H new ATOM 0 HB2 LEU A 40 11.029 -2.203 8.040 1.00 11.43 H new ATOM 0 HB3 LEU A 40 11.502 -2.626 6.407 1.00 11.43 H new ATOM 0 HG LEU A 40 8.818 -3.532 7.379 1.00 63.00 H new ATOM 0 HD11 LEU A 40 7.826 -1.378 6.715 1.00 20.13 H new ATOM 0 HD12 LEU A 40 8.924 -1.198 8.104 1.00 20.13 H new ATOM 0 HD13 LEU A 40 9.456 -0.704 6.479 1.00 20.13 H new ATOM 0 HD21 LEU A 40 8.230 -3.124 5.020 1.00 21.24 H new ATOM 0 HD22 LEU A 40 9.877 -2.519 4.719 1.00 21.24 H new ATOM 0 HD23 LEU A 40 9.623 -4.221 5.173 1.00 21.24 H new ATOM 640 N PRO A 41 11.923 -3.841 10.046 1.00 2.23 N ATOM 641 CA PRO A 41 11.792 -3.883 11.506 1.00 54.33 C ATOM 642 C PRO A 41 10.608 -3.061 12.005 1.00 42.32 C ATOM 643 O PRO A 41 10.506 -1.867 11.721 1.00 3.20 O ATOM 644 CB PRO A 41 13.109 -3.278 11.998 1.00 14.21 C ATOM 645 CG PRO A 41 13.566 -2.405 10.881 1.00 60.35 C ATOM 646 CD PRO A 41 13.106 -3.077 9.616 1.00 4.01 C ATOM 0 HA PRO A 41 11.610 -4.894 11.870 1.00 54.33 H new ATOM 0 HB2 PRO A 41 12.964 -2.705 12.914 1.00 14.21 H new ATOM 0 HB3 PRO A 41 13.842 -4.053 12.220 1.00 14.21 H new ATOM 0 HG2 PRO A 41 13.141 -1.405 10.968 1.00 60.35 H new ATOM 0 HG3 PRO A 41 14.650 -2.293 10.892 1.00 60.35 H new ATOM 0 HD2 PRO A 41 12.856 -2.350 8.843 1.00 4.01 H new ATOM 0 HD3 PRO A 41 13.877 -3.728 9.204 1.00 4.01 H new ATOM 654 N ILE A 42 9.717 -3.707 12.749 1.00 1.42 N ATOM 655 CA ILE A 42 8.542 -3.034 13.289 1.00 51.13 C ATOM 656 C ILE A 42 8.510 -3.120 14.811 1.00 75.21 C ATOM 657 O ILE A 42 8.217 -4.173 15.378 1.00 62.44 O ATOM 658 CB ILE A 42 7.241 -3.634 12.724 1.00 51.01 C ATOM 659 CG1 ILE A 42 7.332 -3.764 11.202 1.00 21.11 C ATOM 660 CG2 ILE A 42 6.048 -2.776 13.117 1.00 54.00 C ATOM 661 CD1 ILE A 42 7.579 -2.449 10.497 1.00 54.21 C ATOM 0 H ILE A 42 9.786 -4.695 12.992 1.00 1.42 H new ATOM 0 HA ILE A 42 8.611 -1.989 12.988 1.00 51.13 H new ATOM 0 HB ILE A 42 7.104 -4.629 13.147 1.00 51.01 H new ATOM 0 HG12 ILE A 42 8.135 -4.457 10.952 1.00 21.11 H new ATOM 0 HG13 ILE A 42 6.406 -4.200 10.827 1.00 21.11 H new ATOM 0 HG21 ILE A 42 5.136 -3.213 12.710 1.00 54.00 H new ATOM 0 HG22 ILE A 42 5.975 -2.730 14.204 1.00 54.00 H new ATOM 0 HG23 ILE A 42 6.177 -1.769 12.719 1.00 54.00 H new ATOM 0 HD11 ILE A 42 7.632 -2.617 9.421 1.00 54.21 H new ATOM 0 HD12 ILE A 42 6.764 -1.760 10.717 1.00 54.21 H new ATOM 0 HD13 ILE A 42 8.520 -2.021 10.844 1.00 54.21 H new ATOM 673 N PHE A 43 8.810 -2.005 15.468 1.00 40.12 N ATOM 674 CA PHE A 43 8.815 -1.954 16.925 1.00 14.41 C ATOM 675 C PHE A 43 7.404 -1.737 17.466 1.00 23.21 C ATOM 676 O PHE A 43 6.840 -0.650 17.344 1.00 43.32 O ATOM 677 CB PHE A 43 9.738 -0.836 17.414 1.00 13.34 C ATOM 678 CG PHE A 43 9.986 -0.869 18.895 1.00 2.53 C ATOM 679 CD1 PHE A 43 10.625 -1.950 19.480 1.00 21.11 C ATOM 680 CD2 PHE A 43 9.581 0.182 19.703 1.00 43.24 C ATOM 681 CE1 PHE A 43 10.854 -1.983 20.843 1.00 62.04 C ATOM 682 CE2 PHE A 43 9.808 0.155 21.066 1.00 41.02 C ATOM 683 CZ PHE A 43 10.446 -0.929 21.636 1.00 3.33 C ATOM 0 H PHE A 43 9.053 -1.124 15.014 1.00 40.12 H new ATOM 0 HA PHE A 43 9.185 -2.910 17.296 1.00 14.41 H new ATOM 0 HB2 PHE A 43 10.692 -0.909 16.892 1.00 13.34 H new ATOM 0 HB3 PHE A 43 9.302 0.127 17.148 1.00 13.34 H new ATOM 0 HD1 PHE A 43 10.948 -2.776 18.864 1.00 21.11 H new ATOM 0 HD2 PHE A 43 9.082 1.032 19.262 1.00 43.24 H new ATOM 0 HE1 PHE A 43 11.352 -2.832 21.287 1.00 62.04 H new ATOM 0 HE2 PHE A 43 9.487 0.980 21.684 1.00 41.02 H new ATOM 0 HZ PHE A 43 10.626 -0.952 22.701 1.00 3.33 H new ATOM 693 N PHE A 44 6.840 -2.781 18.064 1.00 30.14 N ATOM 694 CA PHE A 44 5.495 -2.707 18.623 1.00 21.11 C ATOM 695 C PHE A 44 5.480 -1.865 19.895 1.00 2.43 C ATOM 696 O PHE A 44 6.096 -2.224 20.899 1.00 65.23 O ATOM 697 CB PHE A 44 4.966 -4.111 18.922 1.00 71.33 C ATOM 698 CG PHE A 44 4.103 -4.672 17.828 1.00 52.13 C ATOM 699 CD1 PHE A 44 4.673 -5.256 16.708 1.00 51.10 C ATOM 700 CD2 PHE A 44 2.721 -4.615 17.919 1.00 25.32 C ATOM 701 CE1 PHE A 44 3.881 -5.772 15.700 1.00 51.34 C ATOM 702 CE2 PHE A 44 1.924 -5.130 16.914 1.00 3.21 C ATOM 703 CZ PHE A 44 2.505 -5.710 15.803 1.00 10.33 C ATOM 0 H PHE A 44 7.293 -3.688 18.174 1.00 30.14 H new ATOM 0 HA PHE A 44 4.848 -2.232 17.886 1.00 21.11 H new ATOM 0 HB2 PHE A 44 5.810 -4.781 19.088 1.00 71.33 H new ATOM 0 HB3 PHE A 44 4.393 -4.085 19.849 1.00 71.33 H new ATOM 0 HD1 PHE A 44 5.748 -5.308 16.622 1.00 51.10 H new ATOM 0 HD2 PHE A 44 2.262 -4.163 18.785 1.00 25.32 H new ATOM 0 HE1 PHE A 44 4.338 -6.224 14.832 1.00 51.34 H new ATOM 0 HE2 PHE A 44 0.848 -5.079 16.997 1.00 3.21 H new ATOM 0 HZ PHE A 44 1.885 -6.114 15.017 1.00 10.33 H new ATOM 713 N PHE A 45 4.772 -0.741 19.845 1.00 5.04 N ATOM 714 CA PHE A 45 4.678 0.154 20.992 1.00 11.55 C ATOM 715 C PHE A 45 3.665 -0.367 22.008 1.00 65.41 C ATOM 716 O PHE A 45 2.625 -0.911 21.640 1.00 20.23 O ATOM 717 CB PHE A 45 4.282 1.561 20.537 1.00 21.33 C ATOM 718 CG PHE A 45 5.455 2.473 20.320 1.00 24.05 C ATOM 719 CD1 PHE A 45 6.436 2.605 21.291 1.00 73.03 C ATOM 720 CD2 PHE A 45 5.578 3.198 19.146 1.00 3.13 C ATOM 721 CE1 PHE A 45 7.516 3.444 21.094 1.00 51.41 C ATOM 722 CE2 PHE A 45 6.657 4.039 18.944 1.00 75.13 C ATOM 723 CZ PHE A 45 7.627 4.161 19.919 1.00 41.35 C ATOM 0 H PHE A 45 4.255 -0.429 19.023 1.00 5.04 H new ATOM 0 HA PHE A 45 5.657 0.195 21.469 1.00 11.55 H new ATOM 0 HB2 PHE A 45 3.713 1.488 19.610 1.00 21.33 H new ATOM 0 HB3 PHE A 45 3.621 2.003 21.283 1.00 21.33 H new ATOM 0 HD1 PHE A 45 6.355 2.046 22.211 1.00 73.03 H new ATOM 0 HD2 PHE A 45 4.823 3.105 18.380 1.00 3.13 H new ATOM 0 HE1 PHE A 45 8.273 3.539 21.858 1.00 51.41 H new ATOM 0 HE2 PHE A 45 6.741 4.600 18.025 1.00 75.13 H new ATOM 0 HZ PHE A 45 8.471 4.816 19.763 1.00 41.35 H new ATOM 733 N GLY A 46 3.980 -0.198 23.289 1.00 55.22 N ATOM 734 CA GLY A 46 3.089 -0.657 24.338 1.00 35.21 C ATOM 735 C GLY A 46 3.401 -2.071 24.786 1.00 20.12 C ATOM 736 O GLY A 46 3.308 -2.390 25.972 1.00 30.31 O ATOM 0 H GLY A 46 4.836 0.248 23.618 1.00 55.22 H new ATOM 0 HA2 GLY A 46 3.162 0.016 25.192 1.00 35.21 H new ATOM 0 HA3 GLY A 46 2.060 -0.611 23.982 1.00 35.21 H new ATOM 740 N THR A 47 3.772 -2.923 23.836 1.00 72.44 N ATOM 741 CA THR A 47 4.096 -4.312 24.138 1.00 42.32 C ATOM 742 C THR A 47 5.597 -4.559 24.043 1.00 4.33 C ATOM 743 O THR A 47 6.077 -5.652 24.344 1.00 20.41 O ATOM 744 CB THR A 47 3.367 -5.279 23.186 1.00 3.01 C ATOM 745 OG1 THR A 47 3.734 -5.001 21.830 1.00 31.00 O ATOM 746 CG2 THR A 47 1.859 -5.159 23.344 1.00 70.23 C ATOM 0 H THR A 47 3.856 -2.675 22.850 1.00 72.44 H new ATOM 0 HA THR A 47 3.763 -4.499 25.159 1.00 42.32 H new ATOM 0 HB THR A 47 3.663 -6.297 23.440 1.00 3.01 H new ATOM 0 HG1 THR A 47 3.009 -4.512 21.389 1.00 31.00 H new ATOM 0 HG21 THR A 47 1.365 -5.851 22.662 1.00 70.23 H new ATOM 0 HG22 THR A 47 1.580 -5.400 24.370 1.00 70.23 H new ATOM 0 HG23 THR A 47 1.549 -4.140 23.114 1.00 70.23 H new ATOM 754 N HIS A 48 6.336 -3.536 23.624 1.00 14.21 N ATOM 755 CA HIS A 48 7.784 -3.642 23.491 1.00 23.13 C ATOM 756 C HIS A 48 8.166 -4.870 22.671 1.00 71.44 C ATOM 757 O HIS A 48 9.186 -5.508 22.929 1.00 44.54 O ATOM 758 CB HIS A 48 8.440 -3.712 24.871 1.00 62.23 C ATOM 759 CG HIS A 48 8.380 -2.422 25.629 1.00 54.01 C ATOM 760 ND1 HIS A 48 8.544 -1.190 25.032 1.00 12.20 N ATOM 761 CD2 HIS A 48 8.170 -2.177 26.943 1.00 14.44 C ATOM 762 CE1 HIS A 48 8.439 -0.242 25.947 1.00 62.52 C ATOM 763 NE2 HIS A 48 8.212 -0.815 27.115 1.00 15.22 N ATOM 0 H HIS A 48 5.955 -2.624 23.371 1.00 14.21 H new ATOM 0 HA HIS A 48 8.142 -2.754 22.971 1.00 23.13 H new ATOM 0 HB2 HIS A 48 7.952 -4.491 25.457 1.00 62.23 H new ATOM 0 HB3 HIS A 48 9.483 -4.007 24.754 1.00 62.23 H new ATOM 0 HD2 HIS A 48 8.001 -2.915 27.713 1.00 14.44 H new ATOM 0 HE1 HIS A 48 8.524 0.820 25.770 1.00 62.52 H new ATOM 0 HE2 HIS A 48 8.088 -0.325 28.001 1.00 15.22 H new ATOM 771 N GLU A 49 7.339 -5.196 21.682 1.00 33.22 N ATOM 772 CA GLU A 49 7.590 -6.349 20.826 1.00 71.15 C ATOM 773 C GLU A 49 8.212 -5.917 19.501 1.00 60.33 C ATOM 774 O GLU A 49 8.367 -4.725 19.233 1.00 22.31 O ATOM 775 CB GLU A 49 6.289 -7.113 20.566 1.00 5.40 C ATOM 776 CG GLU A 49 5.676 -7.714 21.819 1.00 23.14 C ATOM 777 CD GLU A 49 4.524 -8.651 21.513 1.00 23.43 C ATOM 778 OE1 GLU A 49 4.691 -9.530 20.641 1.00 12.03 O ATOM 779 OE2 GLU A 49 3.457 -8.507 22.145 1.00 51.53 O ATOM 0 H GLU A 49 6.490 -4.678 21.454 1.00 33.22 H new ATOM 0 HA GLU A 49 8.292 -7.005 21.341 1.00 71.15 H new ATOM 0 HB2 GLU A 49 5.567 -6.438 20.106 1.00 5.40 H new ATOM 0 HB3 GLU A 49 6.483 -7.910 19.848 1.00 5.40 H new ATOM 0 HG2 GLU A 49 6.444 -8.256 22.370 1.00 23.14 H new ATOM 0 HG3 GLU A 49 5.324 -6.912 22.468 1.00 23.14 H new ATOM 786 N THR A 50 8.568 -6.896 18.674 1.00 53.22 N ATOM 787 CA THR A 50 9.174 -6.619 17.378 1.00 4.40 C ATOM 788 C THR A 50 8.856 -7.721 16.375 1.00 71.23 C ATOM 789 O THR A 50 9.113 -8.898 16.629 1.00 51.55 O ATOM 790 CB THR A 50 10.703 -6.471 17.494 1.00 64.44 C ATOM 791 OG1 THR A 50 11.298 -6.501 16.191 1.00 2.13 O ATOM 792 CG2 THR A 50 11.291 -7.583 18.350 1.00 12.22 C ATOM 0 H THR A 50 8.447 -7.888 18.879 1.00 53.22 H new ATOM 0 HA THR A 50 8.751 -5.679 17.025 1.00 4.40 H new ATOM 0 HB THR A 50 10.918 -5.514 17.970 1.00 64.44 H new ATOM 0 HG1 THR A 50 12.270 -6.405 16.273 1.00 2.13 H new ATOM 0 HG21 THR A 50 12.372 -7.457 18.417 1.00 12.22 H new ATOM 0 HG22 THR A 50 10.858 -7.541 19.349 1.00 12.22 H new ATOM 0 HG23 THR A 50 11.065 -8.549 17.897 1.00 12.22 H new ATOM 800 N ALA A 51 8.295 -7.333 15.234 1.00 43.20 N ATOM 801 CA ALA A 51 7.944 -8.289 14.191 1.00 4.30 C ATOM 802 C ALA A 51 8.368 -7.782 12.817 1.00 50.14 C ATOM 803 O ALA A 51 8.327 -6.581 12.547 1.00 24.21 O ATOM 804 CB ALA A 51 6.449 -8.570 14.214 1.00 2.13 C ATOM 0 H ALA A 51 8.074 -6.363 15.009 1.00 43.20 H new ATOM 0 HA ALA A 51 8.480 -9.218 14.388 1.00 4.30 H new ATOM 0 HB1 ALA A 51 6.201 -9.285 13.430 1.00 2.13 H new ATOM 0 HB2 ALA A 51 6.171 -8.984 15.184 1.00 2.13 H new ATOM 0 HB3 ALA A 51 5.902 -7.643 14.045 1.00 2.13 H new ATOM 810 N PHE A 52 8.775 -8.704 11.951 1.00 60.04 N ATOM 811 CA PHE A 52 9.208 -8.350 10.604 1.00 41.11 C ATOM 812 C PHE A 52 8.057 -8.480 9.611 1.00 50.13 C ATOM 813 O PHE A 52 7.500 -9.563 9.426 1.00 23.01 O ATOM 814 CB PHE A 52 10.374 -9.240 10.170 1.00 62.23 C ATOM 815 CG PHE A 52 11.691 -8.838 10.769 1.00 3.31 C ATOM 816 CD1 PHE A 52 12.170 -7.546 10.618 1.00 65.43 C ATOM 817 CD2 PHE A 52 12.450 -9.750 11.484 1.00 32.23 C ATOM 818 CE1 PHE A 52 13.382 -7.174 11.168 1.00 44.34 C ATOM 819 CE2 PHE A 52 13.662 -9.383 12.037 1.00 65.11 C ATOM 820 CZ PHE A 52 14.129 -8.093 11.879 1.00 12.21 C ATOM 0 H PHE A 52 8.814 -9.702 12.158 1.00 60.04 H new ATOM 0 HA PHE A 52 9.538 -7.311 10.617 1.00 41.11 H new ATOM 0 HB2 PHE A 52 10.157 -10.271 10.449 1.00 62.23 H new ATOM 0 HB3 PHE A 52 10.455 -9.214 9.083 1.00 62.23 H new ATOM 0 HD1 PHE A 52 11.590 -6.822 10.065 1.00 65.43 H new ATOM 0 HD2 PHE A 52 12.090 -10.760 11.611 1.00 32.23 H new ATOM 0 HE1 PHE A 52 13.745 -6.165 11.042 1.00 44.34 H new ATOM 0 HE2 PHE A 52 14.243 -10.104 12.592 1.00 65.11 H new ATOM 0 HZ PHE A 52 15.076 -7.803 12.310 1.00 12.21 H new ATOM 830 N LEU A 53 7.705 -7.368 8.974 1.00 32.40 N ATOM 831 CA LEU A 53 6.619 -7.356 7.999 1.00 24.23 C ATOM 832 C LEU A 53 6.920 -6.385 6.862 1.00 71.41 C ATOM 833 O LEU A 53 7.277 -5.231 7.095 1.00 30.41 O ATOM 834 CB LEU A 53 5.303 -6.973 8.677 1.00 32.45 C ATOM 835 CG LEU A 53 5.016 -7.652 10.018 1.00 41.54 C ATOM 836 CD1 LEU A 53 3.913 -6.916 10.763 1.00 70.23 C ATOM 837 CD2 LEU A 53 4.639 -9.111 9.807 1.00 0.31 C ATOM 0 H LEU A 53 8.155 -6.464 9.115 1.00 32.40 H new ATOM 0 HA LEU A 53 6.527 -8.359 7.582 1.00 24.23 H new ATOM 0 HB2 LEU A 53 5.297 -5.894 8.830 1.00 32.45 H new ATOM 0 HB3 LEU A 53 4.485 -7.202 7.994 1.00 32.45 H new ATOM 0 HG LEU A 53 5.922 -7.616 10.624 1.00 41.54 H new ATOM 0 HD11 LEU A 53 3.722 -7.413 11.714 1.00 70.23 H new ATOM 0 HD12 LEU A 53 4.222 -5.887 10.947 1.00 70.23 H new ATOM 0 HD13 LEU A 53 3.003 -6.920 10.163 1.00 70.23 H new ATOM 0 HD21 LEU A 53 4.438 -9.578 10.771 1.00 0.31 H new ATOM 0 HD22 LEU A 53 3.747 -9.170 9.183 1.00 0.31 H new ATOM 0 HD23 LEU A 53 5.461 -9.632 9.316 1.00 0.31 H new ATOM 849 N GLY A 54 6.771 -6.861 5.629 1.00 35.23 N ATOM 850 CA GLY A 54 7.028 -6.022 4.474 1.00 51.32 C ATOM 851 C GLY A 54 6.156 -4.782 4.452 1.00 4.34 C ATOM 852 O GLY A 54 5.337 -4.558 5.343 1.00 14.42 O ATOM 0 H GLY A 54 6.477 -7.813 5.410 1.00 35.23 H new ATOM 0 HA2 GLY A 54 8.077 -5.725 4.471 1.00 51.32 H new ATOM 0 HA3 GLY A 54 6.857 -6.599 3.565 1.00 51.32 H new ATOM 856 N PRO A 55 6.331 -3.949 3.415 1.00 35.13 N ATOM 857 CA PRO A 55 5.563 -2.710 3.257 1.00 31.32 C ATOM 858 C PRO A 55 4.098 -2.974 2.926 1.00 62.25 C ATOM 859 O PRO A 55 3.212 -2.226 3.339 1.00 4.14 O ATOM 860 CB PRO A 55 6.258 -2.009 2.087 1.00 21.15 C ATOM 861 CG PRO A 55 6.893 -3.110 1.310 1.00 43.44 C ATOM 862 CD PRO A 55 7.290 -4.153 2.317 1.00 72.31 C ATOM 0 HA PRO A 55 5.545 -2.122 4.174 1.00 31.32 H new ATOM 0 HB2 PRO A 55 5.545 -1.454 1.477 1.00 21.15 H new ATOM 0 HB3 PRO A 55 7.001 -1.293 2.439 1.00 21.15 H new ATOM 0 HG2 PRO A 55 6.199 -3.520 0.576 1.00 43.44 H new ATOM 0 HG3 PRO A 55 7.762 -2.748 0.760 1.00 43.44 H new ATOM 0 HD2 PRO A 55 7.219 -5.159 1.903 1.00 72.31 H new ATOM 0 HD3 PRO A 55 8.319 -4.018 2.651 1.00 72.31 H new ATOM 870 N LYS A 56 3.849 -4.043 2.177 1.00 63.23 N ATOM 871 CA LYS A 56 2.491 -4.408 1.790 1.00 4.13 C ATOM 872 C LYS A 56 1.708 -4.934 2.988 1.00 34.23 C ATOM 873 O LYS A 56 0.493 -5.120 2.914 1.00 12.33 O ATOM 874 CB LYS A 56 2.521 -5.464 0.683 1.00 55.43 C ATOM 875 CG LYS A 56 2.938 -4.914 -0.671 1.00 34.15 C ATOM 876 CD LYS A 56 1.787 -4.204 -1.363 1.00 15.43 C ATOM 877 CE LYS A 56 0.971 -5.163 -2.216 1.00 23.43 C ATOM 878 NZ LYS A 56 0.150 -4.444 -3.229 1.00 32.55 N ATOM 0 H LYS A 56 4.571 -4.672 1.826 1.00 63.23 H new ATOM 0 HA LYS A 56 1.993 -3.513 1.417 1.00 4.13 H new ATOM 0 HB2 LYS A 56 3.208 -6.260 0.970 1.00 55.43 H new ATOM 0 HB3 LYS A 56 1.532 -5.914 0.594 1.00 55.43 H new ATOM 0 HG2 LYS A 56 3.770 -4.221 -0.543 1.00 34.15 H new ATOM 0 HG3 LYS A 56 3.296 -5.728 -1.301 1.00 34.15 H new ATOM 0 HD2 LYS A 56 1.142 -3.741 -0.616 1.00 15.43 H new ATOM 0 HD3 LYS A 56 2.177 -3.401 -1.989 1.00 15.43 H new ATOM 0 HE2 LYS A 56 1.640 -5.860 -2.720 1.00 23.43 H new ATOM 0 HE3 LYS A 56 0.319 -5.755 -1.574 1.00 23.43 H new ATOM 0 HZ1 LYS A 56 -0.391 -5.133 -3.790 1.00 32.55 H new ATOM 0 HZ2 LYS A 56 -0.507 -3.797 -2.748 1.00 32.55 H new ATOM 0 HZ3 LYS A 56 0.774 -3.899 -3.858 1.00 32.55 H new ATOM 892 N ASP A 57 2.410 -5.172 4.091 1.00 52.53 N ATOM 893 CA ASP A 57 1.779 -5.674 5.306 1.00 71.03 C ATOM 894 C ASP A 57 1.499 -4.537 6.283 1.00 2.31 C ATOM 895 O ASP A 57 0.570 -4.611 7.087 1.00 32.15 O ATOM 896 CB ASP A 57 2.668 -6.727 5.970 1.00 51.34 C ATOM 897 CG ASP A 57 2.347 -8.133 5.503 1.00 64.02 C ATOM 898 OD1 ASP A 57 1.178 -8.549 5.634 1.00 35.12 O ATOM 899 OD2 ASP A 57 3.267 -8.818 5.007 1.00 54.12 O ATOM 0 H ASP A 57 3.416 -5.025 4.168 1.00 52.53 H new ATOM 0 HA ASP A 57 0.830 -6.133 5.030 1.00 71.03 H new ATOM 0 HB2 ASP A 57 3.713 -6.505 5.753 1.00 51.34 H new ATOM 0 HB3 ASP A 57 2.548 -6.670 7.052 1.00 51.34 H new ATOM 904 N ILE A 58 2.310 -3.486 6.208 1.00 33.43 N ATOM 905 CA ILE A 58 2.149 -2.334 7.086 1.00 21.14 C ATOM 906 C ILE A 58 1.377 -1.217 6.392 1.00 22.31 C ATOM 907 O ILE A 58 1.626 -0.907 5.227 1.00 61.21 O ATOM 908 CB ILE A 58 3.511 -1.788 7.553 1.00 3.03 C ATOM 909 CG1 ILE A 58 4.407 -1.492 6.348 1.00 13.15 C ATOM 910 CG2 ILE A 58 4.186 -2.778 8.491 1.00 72.32 C ATOM 911 CD1 ILE A 58 5.712 -0.821 6.716 1.00 72.01 C ATOM 0 H ILE A 58 3.084 -3.409 5.549 1.00 33.43 H new ATOM 0 HA ILE A 58 1.586 -2.676 7.955 1.00 21.14 H new ATOM 0 HB ILE A 58 3.345 -0.858 8.096 1.00 3.03 H new ATOM 0 HG12 ILE A 58 4.622 -2.425 5.827 1.00 13.15 H new ATOM 0 HG13 ILE A 58 3.864 -0.855 5.650 1.00 13.15 H new ATOM 0 HG21 ILE A 58 5.148 -2.377 8.812 1.00 72.32 H new ATOM 0 HG22 ILE A 58 3.553 -2.944 9.362 1.00 72.32 H new ATOM 0 HG23 ILE A 58 4.342 -3.723 7.971 1.00 72.32 H new ATOM 0 HD11 ILE A 58 6.296 -0.641 5.813 1.00 72.01 H new ATOM 0 HD12 ILE A 58 5.506 0.129 7.210 1.00 72.01 H new ATOM 0 HD13 ILE A 58 6.275 -1.466 7.390 1.00 72.01 H new ATOM 923 N PHE A 59 0.440 -0.615 7.116 1.00 12.31 N ATOM 924 CA PHE A 59 -0.369 0.469 6.570 1.00 3.34 C ATOM 925 C PHE A 59 -0.152 1.759 7.357 1.00 62.22 C ATOM 926 O PHE A 59 0.323 1.751 8.493 1.00 74.50 O ATOM 927 CB PHE A 59 -1.851 0.089 6.591 1.00 24.04 C ATOM 928 CG PHE A 59 -2.341 -0.484 5.292 1.00 0.15 C ATOM 929 CD1 PHE A 59 -1.941 -1.745 4.881 1.00 23.02 C ATOM 930 CD2 PHE A 59 -3.202 0.239 4.482 1.00 22.03 C ATOM 931 CE1 PHE A 59 -2.390 -2.275 3.687 1.00 74.44 C ATOM 932 CE2 PHE A 59 -3.655 -0.286 3.287 1.00 30.30 C ATOM 933 CZ PHE A 59 -3.248 -1.544 2.888 1.00 21.41 C ATOM 0 H PHE A 59 0.222 -0.859 8.082 1.00 12.31 H new ATOM 0 HA PHE A 59 -0.059 0.636 5.539 1.00 3.34 H new ATOM 0 HB2 PHE A 59 -2.021 -0.637 7.386 1.00 24.04 H new ATOM 0 HB3 PHE A 59 -2.441 0.972 6.835 1.00 24.04 H new ATOM 0 HD1 PHE A 59 -1.270 -2.321 5.501 1.00 23.02 H new ATOM 0 HD2 PHE A 59 -3.523 1.224 4.788 1.00 22.03 H new ATOM 0 HE1 PHE A 59 -2.071 -3.260 3.378 1.00 74.44 H new ATOM 0 HE2 PHE A 59 -4.327 0.287 2.665 1.00 30.30 H new ATOM 0 HZ PHE A 59 -3.600 -1.955 1.953 1.00 21.41 H new ATOM 943 N PRO A 60 -0.506 2.895 6.739 1.00 55.04 N ATOM 944 CA PRO A 60 -0.360 4.214 7.361 1.00 32.03 C ATOM 945 C PRO A 60 -1.336 4.422 8.515 1.00 64.12 C ATOM 946 O PRO A 60 -2.536 4.188 8.375 1.00 13.10 O ATOM 947 CB PRO A 60 -0.670 5.183 6.217 1.00 35.35 C ATOM 948 CG PRO A 60 -1.541 4.407 5.290 1.00 40.20 C ATOM 949 CD PRO A 60 -1.078 2.980 5.384 1.00 33.43 C ATOM 0 HA PRO A 60 0.629 4.351 7.797 1.00 32.03 H new ATOM 0 HB2 PRO A 60 -1.177 6.077 6.581 1.00 35.35 H new ATOM 0 HB3 PRO A 60 0.242 5.514 5.720 1.00 35.35 H new ATOM 0 HG2 PRO A 60 -2.590 4.496 5.573 1.00 40.20 H new ATOM 0 HG3 PRO A 60 -1.454 4.779 4.269 1.00 40.20 H new ATOM 0 HD2 PRO A 60 -1.903 2.280 5.252 1.00 33.43 H new ATOM 0 HD3 PRO A 60 -0.337 2.747 4.620 1.00 33.43 H new ATOM 957 N TYR A 61 -0.812 4.863 9.654 1.00 74.55 N ATOM 958 CA TYR A 61 -1.637 5.100 10.832 1.00 13.11 C ATOM 959 C TYR A 61 -2.658 6.203 10.570 1.00 43.54 C ATOM 960 O TYR A 61 -3.628 6.356 11.311 1.00 14.10 O ATOM 961 CB TYR A 61 -0.760 5.475 12.027 1.00 2.54 C ATOM 962 CG TYR A 61 -0.722 6.961 12.308 1.00 34.34 C ATOM 963 CD1 TYR A 61 0.070 7.812 11.547 1.00 34.31 C ATOM 964 CD2 TYR A 61 -1.478 7.513 13.335 1.00 22.13 C ATOM 965 CE1 TYR A 61 0.108 9.169 11.800 1.00 14.35 C ATOM 966 CE2 TYR A 61 -1.447 8.869 13.595 1.00 52.32 C ATOM 967 CZ TYR A 61 -0.653 9.693 12.825 1.00 41.30 C ATOM 968 OH TYR A 61 -0.619 11.045 13.081 1.00 25.23 O ATOM 0 H TYR A 61 0.179 5.063 9.786 1.00 74.55 H new ATOM 0 HA TYR A 61 -2.175 4.179 11.059 1.00 13.11 H new ATOM 0 HB2 TYR A 61 -1.126 4.956 12.913 1.00 2.54 H new ATOM 0 HB3 TYR A 61 0.255 5.122 11.847 1.00 2.54 H new ATOM 0 HD1 TYR A 61 0.666 7.405 10.744 1.00 34.31 H new ATOM 0 HD2 TYR A 61 -2.100 6.871 13.940 1.00 22.13 H new ATOM 0 HE1 TYR A 61 0.730 9.816 11.199 1.00 14.35 H new ATOM 0 HE2 TYR A 61 -2.041 9.282 14.397 1.00 52.32 H new ATOM 0 HH TYR A 61 -0.312 11.196 13.999 1.00 25.23 H new ATOM 978 N SER A 62 -2.430 6.970 9.508 1.00 53.31 N ATOM 979 CA SER A 62 -3.327 8.062 9.148 1.00 50.34 C ATOM 980 C SER A 62 -4.666 7.525 8.652 1.00 61.43 C ATOM 981 O SER A 62 -5.664 8.244 8.627 1.00 32.51 O ATOM 982 CB SER A 62 -2.687 8.941 8.071 1.00 15.41 C ATOM 983 OG SER A 62 -3.239 10.247 8.084 1.00 32.44 O ATOM 0 H SER A 62 -1.632 6.855 8.883 1.00 53.31 H new ATOM 0 HA SER A 62 -3.504 8.663 10.040 1.00 50.34 H new ATOM 0 HB2 SER A 62 -1.611 8.996 8.234 1.00 15.41 H new ATOM 0 HB3 SER A 62 -2.838 8.489 7.091 1.00 15.41 H new ATOM 0 HG SER A 62 -2.813 10.789 7.388 1.00 32.44 H new ATOM 989 N GLU A 63 -4.677 6.255 8.258 1.00 74.03 N ATOM 990 CA GLU A 63 -5.893 5.621 7.762 1.00 71.25 C ATOM 991 C GLU A 63 -6.635 4.910 8.890 1.00 71.35 C ATOM 992 O GLU A 63 -7.855 4.755 8.843 1.00 24.33 O ATOM 993 CB GLU A 63 -5.558 4.625 6.649 1.00 22.34 C ATOM 994 CG GLU A 63 -5.516 5.250 5.265 1.00 71.50 C ATOM 995 CD GLU A 63 -5.379 4.217 4.163 1.00 40.01 C ATOM 996 OE1 GLU A 63 -6.420 3.720 3.684 1.00 63.11 O ATOM 997 OE2 GLU A 63 -4.232 3.906 3.780 1.00 40.12 O ATOM 0 H GLU A 63 -3.859 5.646 8.273 1.00 74.03 H new ATOM 0 HA GLU A 63 -6.540 6.400 7.360 1.00 71.25 H new ATOM 0 HB2 GLU A 63 -4.592 4.167 6.861 1.00 22.34 H new ATOM 0 HB3 GLU A 63 -6.298 3.825 6.655 1.00 22.34 H new ATOM 0 HG2 GLU A 63 -6.425 5.829 5.104 1.00 71.50 H new ATOM 0 HG3 GLU A 63 -4.680 5.947 5.210 1.00 71.50 H new ATOM 1004 N ASN A 64 -5.889 4.479 9.902 1.00 42.15 N ATOM 1005 CA ASN A 64 -6.475 3.783 11.041 1.00 1.24 C ATOM 1006 C ASN A 64 -6.910 4.773 12.118 1.00 70.11 C ATOM 1007 O ASN A 64 -7.969 4.620 12.726 1.00 33.24 O ATOM 1008 CB ASN A 64 -5.474 2.785 11.626 1.00 64.44 C ATOM 1009 CG ASN A 64 -5.062 1.725 10.622 1.00 21.42 C ATOM 1010 OD1 ASN A 64 -4.071 1.881 9.909 1.00 23.31 O ATOM 1011 ND2 ASN A 64 -5.824 0.639 10.563 1.00 61.41 N ATOM 0 H ASN A 64 -4.878 4.600 9.956 1.00 42.15 H new ATOM 0 HA ASN A 64 -7.355 3.243 10.691 1.00 1.24 H new ATOM 0 HB2 ASN A 64 -4.589 3.321 11.969 1.00 64.44 H new ATOM 0 HB3 ASN A 64 -5.913 2.303 12.500 1.00 64.44 H new ATOM 0 HD21 ASN A 64 -5.597 -0.108 9.907 1.00 61.41 H new ATOM 0 HD22 ASN A 64 -6.637 0.552 11.174 1.00 61.41 H new ATOM 1018 N LYS A 65 -6.085 5.789 12.348 1.00 54.14 N ATOM 1019 CA LYS A 65 -6.384 6.806 13.349 1.00 51.12 C ATOM 1020 C LYS A 65 -7.727 7.472 13.064 1.00 23.13 C ATOM 1021 O LYS A 65 -8.363 8.015 13.966 1.00 10.43 O ATOM 1022 CB LYS A 65 -5.276 7.861 13.380 1.00 11.31 C ATOM 1023 CG LYS A 65 -5.276 8.779 12.170 1.00 40.20 C ATOM 1024 CD LYS A 65 -4.323 9.948 12.356 1.00 25.44 C ATOM 1025 CE LYS A 65 -5.058 11.278 12.322 1.00 52.41 C ATOM 1026 NZ LYS A 65 -5.345 11.790 13.691 1.00 64.51 N ATOM 0 H LYS A 65 -5.204 5.930 11.854 1.00 54.14 H new ATOM 0 HA LYS A 65 -6.440 6.318 14.322 1.00 51.12 H new ATOM 0 HB2 LYS A 65 -5.384 8.463 14.282 1.00 11.31 H new ATOM 0 HB3 LYS A 65 -4.310 7.360 13.445 1.00 11.31 H new ATOM 0 HG2 LYS A 65 -4.990 8.213 11.283 1.00 40.20 H new ATOM 0 HG3 LYS A 65 -6.285 9.155 11.997 1.00 40.20 H new ATOM 0 HD2 LYS A 65 -3.800 9.845 13.307 1.00 25.44 H new ATOM 0 HD3 LYS A 65 -3.566 9.930 11.572 1.00 25.44 H new ATOM 0 HE2 LYS A 65 -4.460 12.010 11.779 1.00 52.41 H new ATOM 0 HE3 LYS A 65 -5.993 11.162 11.775 1.00 52.41 H new ATOM 0 HZ1 LYS A 65 -5.847 12.698 13.624 1.00 64.51 H new ATOM 0 HZ2 LYS A 65 -5.937 11.104 14.201 1.00 64.51 H new ATOM 0 HZ3 LYS A 65 -4.451 11.926 14.205 1.00 64.51 H new ATOM 1040 N GLU A 66 -8.151 7.424 11.805 1.00 31.34 N ATOM 1041 CA GLU A 66 -9.419 8.022 11.404 1.00 2.20 C ATOM 1042 C GLU A 66 -10.569 7.036 11.589 1.00 43.11 C ATOM 1043 O GLU A 66 -11.735 7.427 11.642 1.00 1.14 O ATOM 1044 CB GLU A 66 -9.353 8.479 9.945 1.00 35.40 C ATOM 1045 CG GLU A 66 -9.155 7.340 8.959 1.00 23.53 C ATOM 1046 CD GLU A 66 -9.686 7.665 7.577 1.00 42.12 C ATOM 1047 OE1 GLU A 66 -9.724 8.862 7.223 1.00 1.44 O ATOM 1048 OE2 GLU A 66 -10.063 6.724 6.849 1.00 73.53 O ATOM 0 H GLU A 66 -7.636 6.978 11.046 1.00 31.34 H new ATOM 0 HA GLU A 66 -9.601 8.888 12.041 1.00 2.20 H new ATOM 0 HB2 GLU A 66 -10.273 9.008 9.697 1.00 35.40 H new ATOM 0 HB3 GLU A 66 -8.536 9.192 9.833 1.00 35.40 H new ATOM 0 HG2 GLU A 66 -8.093 7.105 8.890 1.00 23.53 H new ATOM 0 HG3 GLU A 66 -9.655 6.448 9.336 1.00 23.53 H new ATOM 1055 N LYS A 67 -10.231 5.755 11.685 1.00 34.53 N ATOM 1056 CA LYS A 67 -11.233 4.711 11.865 1.00 74.41 C ATOM 1057 C LYS A 67 -11.764 4.706 13.295 1.00 22.30 C ATOM 1058 O LYS A 67 -12.957 4.906 13.526 1.00 64.43 O ATOM 1059 CB LYS A 67 -10.640 3.342 11.525 1.00 61.40 C ATOM 1060 CG LYS A 67 -10.727 2.990 10.050 1.00 73.01 C ATOM 1061 CD LYS A 67 -11.929 2.108 9.757 1.00 32.32 C ATOM 1062 CE LYS A 67 -13.232 2.882 9.881 1.00 54.11 C ATOM 1063 NZ LYS A 67 -13.323 3.979 8.878 1.00 73.24 N ATOM 0 H LYS A 67 -9.271 5.414 11.641 1.00 34.53 H new ATOM 0 HA LYS A 67 -12.063 4.919 11.189 1.00 74.41 H new ATOM 0 HB2 LYS A 67 -9.595 3.321 11.834 1.00 61.40 H new ATOM 0 HB3 LYS A 67 -11.158 2.577 12.103 1.00 61.40 H new ATOM 0 HG2 LYS A 67 -10.793 3.904 9.460 1.00 73.01 H new ATOM 0 HG3 LYS A 67 -9.815 2.478 9.743 1.00 73.01 H new ATOM 0 HD2 LYS A 67 -11.843 1.697 8.751 1.00 32.32 H new ATOM 0 HD3 LYS A 67 -11.939 1.264 10.447 1.00 32.32 H new ATOM 0 HE2 LYS A 67 -14.073 2.201 9.751 1.00 54.11 H new ATOM 0 HE3 LYS A 67 -13.312 3.300 10.885 1.00 54.11 H new ATOM 0 HZ1 LYS A 67 -14.243 3.933 8.396 1.00 73.24 H new ATOM 0 HZ2 LYS A 67 -13.229 4.897 9.358 1.00 73.24 H new ATOM 0 HZ3 LYS A 67 -12.561 3.874 8.179 1.00 73.24 H new ATOM 1077 N TYR A 68 -10.871 4.478 14.251 1.00 24.44 N ATOM 1078 CA TYR A 68 -11.249 4.446 15.659 1.00 34.01 C ATOM 1079 C TYR A 68 -10.308 5.307 16.496 1.00 20.30 C ATOM 1080 O TYR A 68 -10.678 5.793 17.564 1.00 45.32 O ATOM 1081 CB TYR A 68 -11.241 3.007 16.179 1.00 42.50 C ATOM 1082 CG TYR A 68 -11.343 1.968 15.086 1.00 63.12 C ATOM 1083 CD1 TYR A 68 -12.580 1.520 14.639 1.00 44.13 C ATOM 1084 CD2 TYR A 68 -10.202 1.434 14.499 1.00 4.32 C ATOM 1085 CE1 TYR A 68 -12.677 0.570 13.641 1.00 71.13 C ATOM 1086 CE2 TYR A 68 -10.290 0.485 13.500 1.00 63.24 C ATOM 1087 CZ TYR A 68 -11.530 0.055 13.074 1.00 5.52 C ATOM 1088 OH TYR A 68 -11.623 -0.890 12.079 1.00 65.12 O ATOM 0 H TYR A 68 -9.880 4.312 14.077 1.00 24.44 H new ATOM 0 HA TYR A 68 -12.257 4.851 15.747 1.00 34.01 H new ATOM 0 HB2 TYR A 68 -10.324 2.839 16.744 1.00 42.50 H new ATOM 0 HB3 TYR A 68 -12.072 2.875 16.872 1.00 42.50 H new ATOM 0 HD1 TYR A 68 -13.481 1.921 15.079 1.00 44.13 H new ATOM 0 HD2 TYR A 68 -9.229 1.767 14.830 1.00 4.32 H new ATOM 0 HE1 TYR A 68 -13.647 0.232 13.306 1.00 71.13 H new ATOM 0 HE2 TYR A 68 -9.393 0.081 13.054 1.00 63.24 H new ATOM 0 HH TYR A 68 -10.724 -1.147 11.787 1.00 65.12 H new ATOM 1098 N GLY A 69 -9.087 5.490 16.001 1.00 15.53 N ATOM 1099 CA GLY A 69 -8.111 6.293 16.715 1.00 61.33 C ATOM 1100 C GLY A 69 -7.550 5.579 17.929 1.00 40.03 C ATOM 1101 O GLY A 69 -6.523 5.982 18.476 1.00 72.31 O ATOM 0 H GLY A 69 -8.757 5.097 15.120 1.00 15.53 H new ATOM 0 HA2 GLY A 69 -7.295 6.552 16.040 1.00 61.33 H new ATOM 0 HA3 GLY A 69 -8.574 7.228 17.029 1.00 61.33 H new ATOM 1105 N LYS A 70 -8.226 4.517 18.353 1.00 23.41 N ATOM 1106 CA LYS A 70 -7.790 3.744 19.511 1.00 40.44 C ATOM 1107 C LYS A 70 -8.160 2.273 19.354 1.00 52.02 C ATOM 1108 O LYS A 70 -9.103 1.917 18.647 1.00 52.35 O ATOM 1109 CB LYS A 70 -8.417 4.306 20.789 1.00 23.50 C ATOM 1110 CG LYS A 70 -8.081 5.765 21.041 1.00 54.43 C ATOM 1111 CD LYS A 70 -9.080 6.691 20.366 1.00 10.13 C ATOM 1112 CE LYS A 70 -10.003 7.349 21.380 1.00 35.44 C ATOM 1113 NZ LYS A 70 -10.880 8.374 20.749 1.00 2.05 N ATOM 0 H LYS A 70 -9.078 4.171 17.912 1.00 23.41 H new ATOM 0 HA LYS A 70 -6.705 3.821 19.581 1.00 40.44 H new ATOM 0 HB2 LYS A 70 -9.500 4.196 20.731 1.00 23.50 H new ATOM 0 HB3 LYS A 70 -8.082 3.713 21.640 1.00 23.50 H new ATOM 0 HG2 LYS A 70 -8.072 5.957 22.114 1.00 54.43 H new ATOM 0 HG3 LYS A 70 -7.078 5.978 20.671 1.00 54.43 H new ATOM 0 HD2 LYS A 70 -8.546 7.459 19.807 1.00 10.13 H new ATOM 0 HD3 LYS A 70 -9.672 6.126 19.646 1.00 10.13 H new ATOM 0 HE2 LYS A 70 -10.620 6.588 21.857 1.00 35.44 H new ATOM 0 HE3 LYS A 70 -9.407 7.815 22.165 1.00 35.44 H new ATOM 0 HZ1 LYS A 70 -11.494 8.799 21.473 1.00 2.05 H new ATOM 0 HZ2 LYS A 70 -10.292 9.114 20.315 1.00 2.05 H new ATOM 0 HZ3 LYS A 70 -11.467 7.925 20.017 1.00 2.05 H new ATOM 1127 N PRO A 71 -7.403 1.396 20.029 1.00 2.03 N ATOM 1128 CA PRO A 71 -7.634 -0.051 19.982 1.00 11.32 C ATOM 1129 C PRO A 71 -8.917 -0.456 20.700 1.00 61.40 C ATOM 1130 O PRO A 71 -9.264 0.108 21.736 1.00 14.32 O ATOM 1131 CB PRO A 71 -6.413 -0.629 20.702 1.00 40.22 C ATOM 1132 CG PRO A 71 -5.954 0.463 21.606 1.00 34.31 C ATOM 1133 CD PRO A 71 -6.263 1.749 20.892 1.00 43.44 C ATOM 0 HA PRO A 71 -7.754 -0.412 18.960 1.00 11.32 H new ATOM 0 HB2 PRO A 71 -6.673 -1.526 21.265 1.00 40.22 H new ATOM 0 HB3 PRO A 71 -5.633 -0.911 19.995 1.00 40.22 H new ATOM 0 HG2 PRO A 71 -6.468 0.417 22.566 1.00 34.31 H new ATOM 0 HG3 PRO A 71 -4.887 0.377 21.811 1.00 34.31 H new ATOM 0 HD2 PRO A 71 -6.520 2.545 21.591 1.00 43.44 H new ATOM 0 HD3 PRO A 71 -5.411 2.099 20.309 1.00 43.44 H new ATOM 1141 N ASN A 72 -9.616 -1.439 20.142 1.00 73.21 N ATOM 1142 CA ASN A 72 -10.861 -1.920 20.730 1.00 74.34 C ATOM 1143 C ASN A 72 -10.618 -3.168 21.573 1.00 74.54 C ATOM 1144 O ASN A 72 -10.902 -3.187 22.770 1.00 33.45 O ATOM 1145 CB ASN A 72 -11.884 -2.223 19.632 1.00 22.54 C ATOM 1146 CG ASN A 72 -12.995 -1.193 19.577 1.00 35.55 C ATOM 1147 OD1 ASN A 72 -13.363 -0.606 20.595 1.00 73.01 O ATOM 1148 ND2 ASN A 72 -13.537 -0.970 18.385 1.00 24.25 N ATOM 0 H ASN A 72 -9.342 -1.918 19.284 1.00 73.21 H new ATOM 0 HA ASN A 72 -11.254 -1.137 21.378 1.00 74.34 H new ATOM 0 HB2 ASN A 72 -11.378 -2.259 18.667 1.00 22.54 H new ATOM 0 HB3 ASN A 72 -12.315 -3.209 19.803 1.00 22.54 H new ATOM 0 HD21 ASN A 72 -14.290 -0.289 18.286 1.00 24.25 H new ATOM 0 HD22 ASN A 72 -13.200 -1.480 17.568 1.00 24.25 H new ATOM 1155 N LYS A 73 -10.090 -4.210 20.939 1.00 73.11 N ATOM 1156 CA LYS A 73 -9.806 -5.463 21.629 1.00 14.32 C ATOM 1157 C LYS A 73 -8.327 -5.818 21.525 1.00 4.12 C ATOM 1158 O LYS A 73 -7.949 -6.984 21.643 1.00 42.35 O ATOM 1159 CB LYS A 73 -10.656 -6.594 21.046 1.00 64.22 C ATOM 1160 CG LYS A 73 -12.108 -6.556 21.489 1.00 2.43 C ATOM 1161 CD LYS A 73 -12.942 -7.594 20.758 1.00 50.33 C ATOM 1162 CE LYS A 73 -14.216 -6.986 20.191 1.00 71.21 C ATOM 1163 NZ LYS A 73 -15.012 -7.983 19.422 1.00 23.23 N ATOM 0 H LYS A 73 -9.850 -4.211 19.948 1.00 73.11 H new ATOM 0 HA LYS A 73 -10.057 -5.334 22.682 1.00 14.32 H new ATOM 0 HB2 LYS A 73 -10.616 -6.543 19.958 1.00 64.22 H new ATOM 0 HB3 LYS A 73 -10.221 -7.550 21.337 1.00 64.22 H new ATOM 0 HG2 LYS A 73 -12.166 -6.732 22.563 1.00 2.43 H new ATOM 0 HG3 LYS A 73 -12.519 -5.563 21.306 1.00 2.43 H new ATOM 0 HD2 LYS A 73 -12.355 -8.031 19.950 1.00 50.33 H new ATOM 0 HD3 LYS A 73 -13.197 -8.404 21.441 1.00 50.33 H new ATOM 0 HE2 LYS A 73 -14.822 -6.588 21.005 1.00 71.21 H new ATOM 0 HE3 LYS A 73 -13.961 -6.147 19.543 1.00 71.21 H new ATOM 0 HZ1 LYS A 73 -15.872 -7.530 19.052 1.00 23.23 H new ATOM 0 HZ2 LYS A 73 -14.443 -8.345 18.630 1.00 23.23 H new ATOM 0 HZ3 LYS A 73 -15.277 -8.771 20.046 1.00 23.23 H new ATOM 1177 N ARG A 74 -7.494 -4.806 21.306 1.00 43.31 N ATOM 1178 CA ARG A 74 -6.055 -5.012 21.187 1.00 54.13 C ATOM 1179 C ARG A 74 -5.363 -4.803 22.530 1.00 0.52 C ATOM 1180 O ARG A 74 -5.339 -3.693 23.062 1.00 0.45 O ATOM 1181 CB ARG A 74 -5.467 -4.060 20.144 1.00 61.03 C ATOM 1182 CG ARG A 74 -5.601 -4.563 18.716 1.00 65.33 C ATOM 1183 CD ARG A 74 -7.047 -4.882 18.370 1.00 23.35 C ATOM 1184 NE ARG A 74 -7.415 -6.242 18.757 1.00 3.44 N ATOM 1185 CZ ARG A 74 -8.562 -6.817 18.417 1.00 73.54 C ATOM 1186 NH1 ARG A 74 -9.449 -6.156 17.686 1.00 45.35 N ATOM 1187 NH2 ARG A 74 -8.825 -8.058 18.807 1.00 60.21 N ATOM 0 H ARG A 74 -7.791 -3.835 21.207 1.00 43.31 H new ATOM 0 HA ARG A 74 -5.885 -6.040 20.867 1.00 54.13 H new ATOM 0 HB2 ARG A 74 -5.962 -3.093 20.227 1.00 61.03 H new ATOM 0 HB3 ARG A 74 -4.412 -3.898 20.366 1.00 61.03 H new ATOM 0 HG2 ARG A 74 -5.219 -3.810 18.027 1.00 65.33 H new ATOM 0 HG3 ARG A 74 -4.989 -5.455 18.585 1.00 65.33 H new ATOM 0 HD2 ARG A 74 -7.705 -4.172 18.871 1.00 23.35 H new ATOM 0 HD3 ARG A 74 -7.200 -4.756 17.298 1.00 23.35 H new ATOM 0 HE ARG A 74 -6.754 -6.779 19.319 1.00 3.44 H new ATOM 0 HH11 ARG A 74 -9.251 -5.202 17.383 1.00 45.35 H new ATOM 0 HH12 ARG A 74 -10.329 -6.601 17.427 1.00 45.35 H new ATOM 0 HH21 ARG A 74 -8.145 -8.571 19.369 1.00 60.21 H new ATOM 0 HH22 ARG A 74 -9.707 -8.499 18.545 1.00 60.21 H new ATOM 1201 N LYS A 75 -4.801 -5.877 23.074 1.00 42.31 N ATOM 1202 CA LYS A 75 -4.107 -5.812 24.355 1.00 60.23 C ATOM 1203 C LYS A 75 -3.068 -4.696 24.355 1.00 44.21 C ATOM 1204 O LYS A 75 -2.498 -4.365 23.316 1.00 50.30 O ATOM 1205 CB LYS A 75 -3.432 -7.151 24.661 1.00 75.54 C ATOM 1206 CG LYS A 75 -2.721 -7.182 26.002 1.00 0.32 C ATOM 1207 CD LYS A 75 -2.008 -8.505 26.226 1.00 53.03 C ATOM 1208 CE LYS A 75 -1.184 -8.485 27.504 1.00 63.04 C ATOM 1209 NZ LYS A 75 -1.990 -8.884 28.690 1.00 11.54 N ATOM 0 H LYS A 75 -4.813 -6.803 22.648 1.00 42.31 H new ATOM 0 HA LYS A 75 -4.844 -5.598 25.129 1.00 60.23 H new ATOM 0 HB2 LYS A 75 -4.183 -7.940 24.640 1.00 75.54 H new ATOM 0 HB3 LYS A 75 -2.713 -7.374 23.873 1.00 75.54 H new ATOM 0 HG2 LYS A 75 -2.000 -6.366 26.051 1.00 0.32 H new ATOM 0 HG3 LYS A 75 -3.443 -7.017 26.801 1.00 0.32 H new ATOM 0 HD2 LYS A 75 -2.741 -9.310 26.277 1.00 53.03 H new ATOM 0 HD3 LYS A 75 -1.359 -8.718 25.377 1.00 53.03 H new ATOM 0 HE2 LYS A 75 -0.334 -9.160 27.399 1.00 63.04 H new ATOM 0 HE3 LYS A 75 -0.780 -7.485 27.660 1.00 63.04 H new ATOM 0 HZ1 LYS A 75 -1.392 -8.858 29.541 1.00 11.54 H new ATOM 0 HZ2 LYS A 75 -2.787 -8.225 28.806 1.00 11.54 H new ATOM 0 HZ3 LYS A 75 -2.355 -9.848 28.553 1.00 11.54 H new ATOM 1223 N GLY A 76 -2.824 -4.120 25.528 1.00 15.43 N ATOM 1224 CA GLY A 76 -1.853 -3.048 25.641 1.00 2.32 C ATOM 1225 C GLY A 76 -2.450 -1.689 25.334 1.00 12.21 C ATOM 1226 O GLY A 76 -1.730 -0.696 25.228 1.00 14.31 O ATOM 0 H GLY A 76 -3.282 -4.377 26.402 1.00 15.43 H new ATOM 0 HA2 GLY A 76 -1.441 -3.041 26.650 1.00 2.32 H new ATOM 0 HA3 GLY A 76 -1.024 -3.240 24.959 1.00 2.32 H new ATOM 1230 N PHE A 77 -3.770 -1.644 25.189 1.00 14.21 N ATOM 1231 CA PHE A 77 -4.465 -0.397 24.889 1.00 5.23 C ATOM 1232 C PHE A 77 -4.142 0.669 25.932 1.00 13.34 C ATOM 1233 O PHE A 77 -3.972 0.367 27.113 1.00 73.45 O ATOM 1234 CB PHE A 77 -5.976 -0.630 24.832 1.00 24.54 C ATOM 1235 CG PHE A 77 -6.560 -1.096 26.135 1.00 24.54 C ATOM 1236 CD1 PHE A 77 -6.973 -0.182 27.091 1.00 24.30 C ATOM 1237 CD2 PHE A 77 -6.695 -2.449 26.405 1.00 50.13 C ATOM 1238 CE1 PHE A 77 -7.511 -0.608 28.291 1.00 41.30 C ATOM 1239 CE2 PHE A 77 -7.233 -2.880 27.602 1.00 21.25 C ATOM 1240 CZ PHE A 77 -7.640 -1.959 28.547 1.00 11.43 C ATOM 0 H PHE A 77 -4.380 -2.457 25.274 1.00 14.21 H new ATOM 0 HA PHE A 77 -4.123 -0.045 23.916 1.00 5.23 H new ATOM 0 HB2 PHE A 77 -6.467 0.296 24.533 1.00 24.54 H new ATOM 0 HB3 PHE A 77 -6.193 -1.369 24.061 1.00 24.54 H new ATOM 0 HD1 PHE A 77 -6.873 0.876 26.896 1.00 24.30 H new ATOM 0 HD2 PHE A 77 -6.376 -3.174 25.671 1.00 50.13 H new ATOM 0 HE1 PHE A 77 -7.830 0.115 29.027 1.00 41.30 H new ATOM 0 HE2 PHE A 77 -7.335 -3.937 27.799 1.00 21.25 H new ATOM 0 HZ PHE A 77 -8.058 -2.295 29.484 1.00 11.43 H new ATOM 1250 N ASN A 78 -4.059 1.919 25.487 1.00 74.33 N ATOM 1251 CA ASN A 78 -3.756 3.031 26.381 1.00 74.55 C ATOM 1252 C ASN A 78 -2.356 2.889 26.969 1.00 42.42 C ATOM 1253 O ASN A 78 -2.073 3.401 28.052 1.00 61.43 O ATOM 1254 CB ASN A 78 -4.790 3.103 27.507 1.00 43.05 C ATOM 1255 CG ASN A 78 -5.527 4.428 27.530 1.00 1.13 C ATOM 1256 OD1 ASN A 78 -6.757 4.468 27.487 1.00 64.24 O ATOM 1257 ND2 ASN A 78 -4.776 5.521 27.600 1.00 54.34 N ATOM 0 H ASN A 78 -4.197 2.187 24.513 1.00 74.33 H new ATOM 0 HA ASN A 78 -3.795 3.953 25.801 1.00 74.55 H new ATOM 0 HB2 ASN A 78 -5.509 2.292 27.389 1.00 43.05 H new ATOM 0 HB3 ASN A 78 -4.292 2.951 28.464 1.00 43.05 H new ATOM 0 HD21 ASN A 78 -5.215 6.441 27.620 1.00 54.34 H new ATOM 0 HD22 ASN A 78 -3.760 5.440 27.634 1.00 54.34 H new ATOM 1264 N GLU A 79 -1.484 2.193 26.246 1.00 22.14 N ATOM 1265 CA GLU A 79 -0.113 1.985 26.697 1.00 22.25 C ATOM 1266 C GLU A 79 0.884 2.501 25.664 1.00 62.42 C ATOM 1267 O GLU A 79 1.695 1.741 25.134 1.00 13.53 O ATOM 1268 CB GLU A 79 0.139 0.500 26.968 1.00 13.02 C ATOM 1269 CG GLU A 79 1.332 0.240 27.872 1.00 30.21 C ATOM 1270 CD GLU A 79 1.274 1.040 29.159 1.00 24.31 C ATOM 1271 OE1 GLU A 79 0.153 1.341 29.620 1.00 44.22 O ATOM 1272 OE2 GLU A 79 2.349 1.364 29.705 1.00 4.41 O ATOM 0 H GLU A 79 -1.702 1.764 25.347 1.00 22.14 H new ATOM 0 HA GLU A 79 0.026 2.544 27.622 1.00 22.25 H new ATOM 0 HB2 GLU A 79 -0.752 0.066 27.422 1.00 13.02 H new ATOM 0 HB3 GLU A 79 0.295 -0.013 26.019 1.00 13.02 H new ATOM 0 HG2 GLU A 79 1.377 -0.823 28.111 1.00 30.21 H new ATOM 0 HG3 GLU A 79 2.249 0.486 27.337 1.00 30.21 H new ATOM 1279 N GLY A 80 0.817 3.798 25.381 1.00 1.22 N ATOM 1280 CA GLY A 80 1.718 4.394 24.412 1.00 70.11 C ATOM 1281 C GLY A 80 0.988 4.935 23.198 1.00 4.04 C ATOM 1282 O GLY A 80 1.591 5.578 22.338 1.00 41.30 O ATOM 0 H GLY A 80 0.155 4.447 25.806 1.00 1.22 H new ATOM 0 HA2 GLY A 80 2.275 5.202 24.887 1.00 70.11 H new ATOM 0 HA3 GLY A 80 2.447 3.649 24.092 1.00 70.11 H new ATOM 1286 N LEU A 81 -0.312 4.674 23.127 1.00 70.52 N ATOM 1287 CA LEU A 81 -1.125 5.138 22.008 1.00 33.41 C ATOM 1288 C LEU A 81 -1.030 6.653 21.857 1.00 35.55 C ATOM 1289 O LEU A 81 -1.108 7.182 20.749 1.00 72.22 O ATOM 1290 CB LEU A 81 -2.584 4.724 22.206 1.00 35.35 C ATOM 1291 CG LEU A 81 -3.590 5.314 21.217 1.00 11.14 C ATOM 1292 CD1 LEU A 81 -3.891 4.321 20.105 1.00 3.42 C ATOM 1293 CD2 LEU A 81 -4.870 5.718 21.935 1.00 61.40 C ATOM 0 H LEU A 81 -0.826 4.144 23.831 1.00 70.52 H new ATOM 0 HA LEU A 81 -0.743 4.676 21.097 1.00 33.41 H new ATOM 0 HB2 LEU A 81 -2.643 3.637 22.149 1.00 35.35 H new ATOM 0 HB3 LEU A 81 -2.887 5.007 23.214 1.00 35.35 H new ATOM 0 HG LEU A 81 -3.151 6.206 20.770 1.00 11.14 H new ATOM 0 HD11 LEU A 81 -4.609 4.758 19.411 1.00 3.42 H new ATOM 0 HD12 LEU A 81 -2.971 4.081 19.572 1.00 3.42 H new ATOM 0 HD13 LEU A 81 -4.310 3.410 20.534 1.00 3.42 H new ATOM 0 HD21 LEU A 81 -5.574 6.136 21.216 1.00 61.40 H new ATOM 0 HD22 LEU A 81 -5.313 4.842 22.410 1.00 61.40 H new ATOM 0 HD23 LEU A 81 -4.641 6.466 22.694 1.00 61.40 H new ATOM 1305 N TRP A 82 -0.860 7.343 22.979 1.00 52.53 N ATOM 1306 CA TRP A 82 -0.752 8.798 22.971 1.00 53.00 C ATOM 1307 C TRP A 82 0.674 9.236 22.657 1.00 52.44 C ATOM 1308 O TRP A 82 0.918 10.400 22.339 1.00 65.31 O ATOM 1309 CB TRP A 82 -1.189 9.370 24.321 1.00 61.51 C ATOM 1310 CG TRP A 82 -0.944 10.843 24.449 1.00 32.44 C ATOM 1311 CD1 TRP A 82 -1.805 11.849 24.115 1.00 61.44 C ATOM 1312 CD2 TRP A 82 0.241 11.474 24.946 1.00 13.33 C ATOM 1313 NE1 TRP A 82 -1.226 13.068 24.374 1.00 75.25 N ATOM 1314 CE2 TRP A 82 0.028 12.865 24.885 1.00 0.50 C ATOM 1315 CE3 TRP A 82 1.459 11.000 25.439 1.00 45.50 C ATOM 1316 CZ2 TRP A 82 0.990 13.784 25.297 1.00 51.13 C ATOM 1317 CZ3 TRP A 82 2.413 11.913 25.847 1.00 42.41 C ATOM 1318 CH2 TRP A 82 2.174 13.292 25.775 1.00 41.23 C ATOM 0 H TRP A 82 -0.794 6.920 23.905 1.00 52.53 H new ATOM 0 HA TRP A 82 -1.410 9.182 22.192 1.00 53.00 H new ATOM 0 HB2 TRP A 82 -2.251 9.172 24.465 1.00 61.51 H new ATOM 0 HB3 TRP A 82 -0.657 8.850 25.117 1.00 61.51 H new ATOM 0 HD1 TRP A 82 -2.795 11.707 23.707 1.00 61.44 H new ATOM 0 HE1 TRP A 82 -1.660 13.977 24.212 1.00 75.25 H new ATOM 0 HE3 TRP A 82 1.652 9.939 25.500 1.00 45.50 H new ATOM 0 HZ2 TRP A 82 0.808 14.847 25.241 1.00 51.13 H new ATOM 0 HZ3 TRP A 82 3.359 11.558 26.228 1.00 42.41 H new ATOM 0 HH2 TRP A 82 2.939 13.980 26.103 1.00 41.23 H new ATOM 1329 N GLU A 83 1.611 8.298 22.747 1.00 33.43 N ATOM 1330 CA GLU A 83 3.013 8.590 22.473 1.00 73.54 C ATOM 1331 C GLU A 83 3.297 8.533 20.974 1.00 32.24 C ATOM 1332 O GLU A 83 4.255 9.136 20.491 1.00 64.44 O ATOM 1333 CB GLU A 83 3.917 7.601 23.212 1.00 12.11 C ATOM 1334 CG GLU A 83 4.016 7.866 24.705 1.00 41.51 C ATOM 1335 CD GLU A 83 4.762 6.773 25.444 1.00 65.54 C ATOM 1336 OE1 GLU A 83 5.069 5.736 24.818 1.00 3.41 O ATOM 1337 OE2 GLU A 83 5.040 6.954 26.648 1.00 72.52 O ATOM 0 H GLU A 83 1.425 7.330 23.007 1.00 33.43 H new ATOM 0 HA GLU A 83 3.224 9.599 22.828 1.00 73.54 H new ATOM 0 HB2 GLU A 83 3.540 6.590 23.055 1.00 12.11 H new ATOM 0 HB3 GLU A 83 4.916 7.640 22.777 1.00 12.11 H new ATOM 0 HG2 GLU A 83 4.520 8.819 24.868 1.00 41.51 H new ATOM 0 HG3 GLU A 83 3.013 7.961 25.121 1.00 41.51 H new ATOM 1344 N ILE A 84 2.458 7.804 20.246 1.00 14.13 N ATOM 1345 CA ILE A 84 2.618 7.669 18.804 1.00 72.21 C ATOM 1346 C ILE A 84 2.447 9.012 18.103 1.00 12.53 C ATOM 1347 O ILE A 84 2.955 9.218 17.001 1.00 11.50 O ATOM 1348 CB ILE A 84 1.608 6.665 18.217 1.00 24.50 C ATOM 1349 CG1 ILE A 84 2.029 6.252 16.805 1.00 74.11 C ATOM 1350 CG2 ILE A 84 0.210 7.264 18.205 1.00 3.45 C ATOM 1351 CD1 ILE A 84 1.069 5.285 16.147 1.00 10.11 C ATOM 0 H ILE A 84 1.661 7.298 20.631 1.00 14.13 H new ATOM 0 HA ILE A 84 3.629 7.298 18.633 1.00 72.21 H new ATOM 0 HB ILE A 84 1.595 5.776 18.847 1.00 24.50 H new ATOM 0 HG12 ILE A 84 2.116 7.144 16.185 1.00 74.11 H new ATOM 0 HG13 ILE A 84 3.018 5.797 16.848 1.00 74.11 H new ATOM 0 HG21 ILE A 84 -0.492 6.542 17.787 1.00 3.45 H new ATOM 0 HG22 ILE A 84 -0.088 7.512 19.224 1.00 3.45 H new ATOM 0 HG23 ILE A 84 0.207 8.168 17.595 1.00 3.45 H new ATOM 0 HD11 ILE A 84 1.430 5.036 15.149 1.00 10.11 H new ATOM 0 HD12 ILE A 84 1.000 4.377 16.745 1.00 10.11 H new ATOM 0 HD13 ILE A 84 0.084 5.745 16.072 1.00 10.11 H new ATOM 1363 N ASP A 85 1.730 9.924 18.751 1.00 11.02 N ATOM 1364 CA ASP A 85 1.494 11.250 18.192 1.00 0.11 C ATOM 1365 C ASP A 85 2.161 12.326 19.044 1.00 33.52 C ATOM 1366 O ASP A 85 1.984 13.519 18.805 1.00 51.14 O ATOM 1367 CB ASP A 85 -0.007 11.523 18.087 1.00 72.00 C ATOM 1368 CG ASP A 85 -0.345 12.471 16.953 1.00 34.31 C ATOM 1369 OD1 ASP A 85 0.179 12.272 15.838 1.00 64.23 O ATOM 1370 OD2 ASP A 85 -1.134 13.412 17.181 1.00 32.02 O ATOM 0 H ASP A 85 1.302 9.769 19.664 1.00 11.02 H new ATOM 0 HA ASP A 85 1.931 11.279 17.194 1.00 0.11 H new ATOM 0 HB2 ASP A 85 -0.535 10.581 17.939 1.00 72.00 H new ATOM 0 HB3 ASP A 85 -0.363 11.944 19.027 1.00 72.00 H new ATOM 1375 N ASN A 86 2.927 11.893 20.041 1.00 52.34 N ATOM 1376 CA ASN A 86 3.619 12.819 20.930 1.00 53.42 C ATOM 1377 C ASN A 86 5.083 12.423 21.095 1.00 13.42 C ATOM 1378 O ASN A 86 5.981 13.117 20.620 1.00 21.33 O ATOM 1379 CB ASN A 86 2.931 12.857 22.296 1.00 23.22 C ATOM 1380 CG ASN A 86 1.658 13.680 22.280 1.00 33.25 C ATOM 1381 OD1 ASN A 86 1.653 14.844 22.682 1.00 74.32 O ATOM 1382 ND2 ASN A 86 0.570 13.077 21.816 1.00 74.04 N ATOM 0 H ASN A 86 3.084 10.908 20.253 1.00 52.34 H new ATOM 0 HA ASN A 86 3.579 13.812 20.483 1.00 53.42 H new ATOM 0 HB2 ASN A 86 2.699 11.840 22.611 1.00 23.22 H new ATOM 0 HB3 ASN A 86 3.618 13.270 23.034 1.00 23.22 H new ATOM 0 HD21 ASN A 86 -0.317 13.580 21.782 1.00 74.04 H new ATOM 0 HD22 ASN A 86 0.621 12.111 21.493 1.00 74.04 H new ATOM 1389 N ASN A 87 5.314 11.303 21.772 1.00 42.12 N ATOM 1390 CA ASN A 87 6.669 10.814 22.000 1.00 2.11 C ATOM 1391 C ASN A 87 6.921 9.525 21.223 1.00 15.42 C ATOM 1392 O ASN A 87 6.891 8.424 21.773 1.00 44.11 O ATOM 1393 CB ASN A 87 6.903 10.577 23.493 1.00 22.43 C ATOM 1394 CG ASN A 87 8.330 10.161 23.796 1.00 32.10 C ATOM 1395 OD1 ASN A 87 9.178 10.116 22.904 1.00 14.14 O ATOM 1396 ND2 ASN A 87 8.601 9.854 25.059 1.00 1.02 N ATOM 0 H ASN A 87 4.581 10.717 22.172 1.00 42.12 H new ATOM 0 HA ASN A 87 7.367 11.573 21.645 1.00 2.11 H new ATOM 0 HB2 ASN A 87 6.668 11.488 24.044 1.00 22.43 H new ATOM 0 HB3 ASN A 87 6.220 9.805 23.847 1.00 22.43 H new ATOM 0 HD21 ASN A 87 9.543 9.567 25.323 1.00 1.02 H new ATOM 0 HD22 ASN A 87 7.867 9.905 25.765 1.00 1.02 H new ATOM 1403 N PRO A 88 7.174 9.664 19.913 1.00 22.04 N ATOM 1404 CA PRO A 88 7.437 8.522 19.033 1.00 71.13 C ATOM 1405 C PRO A 88 8.781 7.863 19.323 1.00 30.02 C ATOM 1406 O PRO A 88 9.093 6.801 18.784 1.00 2.02 O ATOM 1407 CB PRO A 88 7.438 9.145 17.635 1.00 72.14 C ATOM 1408 CG PRO A 88 7.805 10.572 17.856 1.00 62.41 C ATOM 1409 CD PRO A 88 7.225 10.946 19.191 1.00 14.44 C ATOM 0 HA PRO A 88 6.699 7.730 19.162 1.00 71.13 H new ATOM 0 HB2 PRO A 88 8.155 8.649 16.981 1.00 72.14 H new ATOM 0 HB3 PRO A 88 6.460 9.057 17.162 1.00 72.14 H new ATOM 0 HG2 PRO A 88 8.887 10.702 17.850 1.00 62.41 H new ATOM 0 HG3 PRO A 88 7.404 11.205 17.065 1.00 62.41 H new ATOM 0 HD2 PRO A 88 7.848 11.675 19.710 1.00 14.44 H new ATOM 0 HD3 PRO A 88 6.234 11.389 19.089 1.00 14.44 H new ATOM 1417 N LYS A 89 9.574 8.499 20.179 1.00 52.10 N ATOM 1418 CA LYS A 89 10.884 7.974 20.543 1.00 5.54 C ATOM 1419 C LYS A 89 10.980 7.745 22.048 1.00 14.34 C ATOM 1420 O LYS A 89 11.999 8.048 22.669 1.00 34.24 O ATOM 1421 CB LYS A 89 11.985 8.937 20.093 1.00 43.32 C ATOM 1422 CG LYS A 89 11.769 9.499 18.698 1.00 12.03 C ATOM 1423 CD LYS A 89 13.081 9.916 18.055 1.00 12.34 C ATOM 1424 CE LYS A 89 13.530 11.285 18.543 1.00 53.42 C ATOM 1425 NZ LYS A 89 14.258 11.201 19.839 1.00 44.32 N ATOM 0 H LYS A 89 9.332 9.379 20.634 1.00 52.10 H new ATOM 0 HA LYS A 89 11.017 7.017 20.038 1.00 5.54 H new ATOM 0 HB2 LYS A 89 12.047 9.762 20.802 1.00 43.32 H new ATOM 0 HB3 LYS A 89 12.944 8.419 20.123 1.00 43.32 H new ATOM 0 HG2 LYS A 89 11.279 8.750 18.075 1.00 12.03 H new ATOM 0 HG3 LYS A 89 11.099 10.358 18.750 1.00 12.03 H new ATOM 0 HD2 LYS A 89 13.850 9.177 18.282 1.00 12.34 H new ATOM 0 HD3 LYS A 89 12.967 9.934 16.971 1.00 12.34 H new ATOM 0 HE2 LYS A 89 14.175 11.744 17.794 1.00 53.42 H new ATOM 0 HE3 LYS A 89 12.661 11.933 18.656 1.00 53.42 H new ATOM 0 HZ1 LYS A 89 14.943 11.981 19.904 1.00 44.32 H new ATOM 0 HZ2 LYS A 89 13.579 11.270 20.624 1.00 44.32 H new ATOM 0 HZ3 LYS A 89 14.762 10.293 19.896 1.00 44.32 H new ATOM 1439 N VAL A 90 9.912 7.208 22.629 1.00 34.33 N ATOM 1440 CA VAL A 90 9.876 6.935 24.061 1.00 10.42 C ATOM 1441 C VAL A 90 10.879 5.852 24.440 1.00 62.43 C ATOM 1442 O VAL A 90 11.151 5.626 25.619 1.00 3.11 O ATOM 1443 CB VAL A 90 8.470 6.499 24.515 1.00 41.32 C ATOM 1444 CG1 VAL A 90 8.070 5.197 23.837 1.00 3.44 C ATOM 1445 CG2 VAL A 90 8.419 6.360 26.029 1.00 75.13 C ATOM 0 H VAL A 90 9.060 6.953 22.130 1.00 34.33 H new ATOM 0 HA VAL A 90 10.141 7.864 24.566 1.00 10.42 H new ATOM 0 HB VAL A 90 7.756 7.268 24.220 1.00 41.32 H new ATOM 0 HG11 VAL A 90 7.074 4.904 24.170 1.00 3.44 H new ATOM 0 HG12 VAL A 90 8.065 5.336 22.756 1.00 3.44 H new ATOM 0 HG13 VAL A 90 8.784 4.416 24.099 1.00 3.44 H new ATOM 0 HG21 VAL A 90 7.419 6.051 26.333 1.00 75.13 H new ATOM 0 HG22 VAL A 90 9.143 5.611 26.350 1.00 75.13 H new ATOM 0 HG23 VAL A 90 8.659 7.318 26.491 1.00 75.13 H new