USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 19 HIS : no HE2:sc= -2.2 K(o=-2.8,f=-4.6!) USER MOD Set 1.2: A 82 TYR OH : rot -10:sc= -0.605 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-4.75e-05 K(o=-4.7e-05,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -113:sc= -0.0195 (180deg=-0.882) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.031 K(o=-0.031,f=-2.8!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -162:sc= -0.655 (180deg=-1.11) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 120:sc= -3.74! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 68 GLN : amide:sc= -0.0319 K(o=-0.032,f=-0.58) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -153:sc= -2.62 (180deg=-6.29!) USER MOD Single : A 72 TYR OH : rot 14:sc= 0.631 USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00513) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -0.0562 (180deg=-0.343) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= -0.0184 (180deg=-0.0393) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -2.909 -12.317 0.642 1.00 0.00 N ATOM 69 CA VAL A 8 -2.538 -10.957 0.271 1.00 0.00 C ATOM 70 C VAL A 8 -1.435 -10.957 -0.782 1.00 0.00 C ATOM 71 O VAL A 8 -1.365 -10.060 -1.622 1.00 0.00 O ATOM 72 CB VAL A 8 -2.066 -10.148 1.492 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.875 -8.684 1.125 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.052 -10.292 2.642 1.00 0.00 C ATOM 0 HA VAL A 8 -3.432 -10.488 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.104 -10.545 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.541 -8.130 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.127 -8.601 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.820 -8.271 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.701 -9.713 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.030 -9.924 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.132 -11.342 2.923 1.00 0.00 H new ATOM 84 N SER A 9 -0.575 -11.968 -0.730 1.00 0.00 N ATOM 85 CA SER A 9 0.526 -12.085 -1.679 1.00 0.00 C ATOM 86 C SER A 9 0.001 -12.331 -3.090 1.00 0.00 C ATOM 87 O SER A 9 0.595 -11.882 -4.071 1.00 0.00 O ATOM 88 CB SER A 9 1.466 -13.218 -1.266 1.00 0.00 C ATOM 89 OG SER A 9 2.724 -13.098 -1.908 1.00 0.00 O ATOM 0 H SER A 9 -0.619 -12.718 -0.041 1.00 0.00 H new ATOM 0 HA SER A 9 1.079 -11.146 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.603 -13.205 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.016 -14.178 -1.518 1.00 0.00 H new ATOM 0 HG SER A 9 3.307 -13.834 -1.626 1.00 0.00 H new ATOM 95 N GLN A 10 -1.113 -13.048 -3.185 1.00 0.00 N ATOM 96 CA GLN A 10 -1.717 -13.355 -4.477 1.00 0.00 C ATOM 97 C GLN A 10 -2.140 -12.077 -5.196 1.00 0.00 C ATOM 98 O GLN A 10 -1.867 -11.902 -6.383 1.00 0.00 O ATOM 99 CB GLN A 10 -2.925 -14.278 -4.291 1.00 0.00 C ATOM 100 CG GLN A 10 -2.660 -15.716 -4.705 1.00 0.00 C ATOM 101 CD GLN A 10 -1.643 -16.401 -3.815 1.00 0.00 C ATOM 102 OE1 GLN A 10 -0.450 -16.104 -3.873 1.00 0.00 O ATOM 103 NE2 GLN A 10 -2.112 -17.325 -2.983 1.00 0.00 N ATOM 0 H GLN A 10 -1.616 -13.428 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.972 -13.864 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.228 -14.260 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.762 -13.890 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.595 -16.276 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.306 -15.734 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.109 -17.539 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.475 -17.820 -2.359 1.00 0.00 H new ATOM 112 N ARG A 11 -2.807 -11.188 -4.468 1.00 0.00 N ATOM 113 CA ARG A 11 -3.267 -9.926 -5.036 1.00 0.00 C ATOM 114 C ARG A 11 -2.091 -9.099 -5.550 1.00 0.00 C ATOM 115 O ARG A 11 -0.948 -9.314 -5.148 1.00 0.00 O ATOM 116 CB ARG A 11 -4.049 -9.127 -3.991 1.00 0.00 C ATOM 117 CG ARG A 11 -5.225 -9.888 -3.399 1.00 0.00 C ATOM 118 CD ARG A 11 -6.375 -9.993 -4.387 1.00 0.00 C ATOM 119 NE ARG A 11 -7.435 -10.875 -3.903 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.545 -11.143 -4.585 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.746 -10.602 -5.781 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.458 -11.956 -4.072 1.00 0.00 N ATOM 0 H ARG A 11 -3.041 -11.318 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.923 -10.153 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.373 -8.837 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.415 -8.207 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.903 -10.887 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.566 -9.386 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.786 -9.000 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.001 -10.366 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.317 -11.311 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.047 -9.977 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.599 -10.812 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.309 -12.376 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.309 -12.162 -4.595 1.00 0.00 H new ATOM 136 N PRO A 12 -2.359 -8.135 -6.448 1.00 0.00 N ATOM 137 CA PRO A 12 -1.317 -7.274 -7.018 1.00 0.00 C ATOM 138 C PRO A 12 -0.443 -6.636 -5.944 1.00 0.00 C ATOM 139 O PRO A 12 -0.833 -6.551 -4.779 1.00 0.00 O ATOM 140 CB PRO A 12 -2.113 -6.203 -7.766 1.00 0.00 C ATOM 141 CG PRO A 12 -3.402 -6.864 -8.110 1.00 0.00 C ATOM 142 CD PRO A 12 -3.696 -7.812 -6.981 1.00 0.00 C ATOM 0 HA PRO A 12 -0.627 -7.832 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.273 -5.322 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.587 -5.871 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.200 -6.130 -8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.326 -7.397 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.330 -7.350 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.215 -8.704 -7.331 1.00 0.00 H new ATOM 150 N PHE A 13 0.743 -6.188 -6.343 1.00 0.00 N ATOM 151 CA PHE A 13 1.674 -5.556 -5.415 1.00 0.00 C ATOM 152 C PHE A 13 1.197 -4.159 -5.031 1.00 0.00 C ATOM 153 O PHE A 13 1.249 -3.774 -3.863 1.00 0.00 O ATOM 154 CB PHE A 13 3.071 -5.479 -6.034 1.00 0.00 C ATOM 155 CG PHE A 13 4.115 -4.948 -5.094 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.552 -5.709 -4.021 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.660 -3.688 -5.283 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.513 -5.224 -3.155 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.622 -3.197 -4.420 1.00 0.00 C ATOM 160 CZ PHE A 13 6.048 -3.966 -3.355 1.00 0.00 C ATOM 0 H PHE A 13 1.082 -6.251 -7.303 1.00 0.00 H new ATOM 0 HA PHE A 13 1.717 -6.166 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.367 -6.473 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.033 -4.843 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.136 -6.693 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.329 -3.083 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.845 -5.827 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.040 -2.214 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.799 -3.584 -2.679 1.00 0.00 H new ATOM 170 N ARG A 14 0.733 -3.404 -6.022 1.00 0.00 N ATOM 171 CA ARG A 14 0.248 -2.050 -5.788 1.00 0.00 C ATOM 172 C ARG A 14 -0.928 -2.054 -4.817 1.00 0.00 C ATOM 173 O ARG A 14 -1.094 -1.128 -4.023 1.00 0.00 O ATOM 174 CB ARG A 14 -0.167 -1.399 -7.108 1.00 0.00 C ATOM 175 CG ARG A 14 0.172 0.081 -7.191 1.00 0.00 C ATOM 176 CD ARG A 14 -0.031 0.623 -8.597 1.00 0.00 C ATOM 177 NE ARG A 14 -1.280 1.371 -8.721 1.00 0.00 N ATOM 178 CZ ARG A 14 -1.534 2.230 -9.704 1.00 0.00 C ATOM 179 NH1 ARG A 14 -0.630 2.453 -10.652 1.00 0.00 N ATOM 180 NH2 ARG A 14 -2.696 2.869 -9.742 1.00 0.00 N ATOM 0 H ARG A 14 0.683 -3.708 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 14 1.059 -1.472 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.322 -1.922 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.241 -1.525 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.452 0.638 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.207 0.236 -6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.806 1.269 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.032 -0.204 -9.307 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.999 1.226 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.265 1.964 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.831 3.113 -11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.394 2.701 -9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.891 3.528 -10.496 1.00 0.00 H new ATOM 194 N ASP A 15 -1.742 -3.103 -4.885 1.00 0.00 N ATOM 195 CA ASP A 15 -2.903 -3.227 -4.013 1.00 0.00 C ATOM 196 C ASP A 15 -2.474 -3.410 -2.561 1.00 0.00 C ATOM 197 O ASP A 15 -3.081 -2.849 -1.648 1.00 0.00 O ATOM 198 CB ASP A 15 -3.773 -4.406 -4.451 1.00 0.00 C ATOM 199 CG ASP A 15 -4.355 -4.211 -5.837 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.655 -3.639 -6.700 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.510 -4.630 -6.061 1.00 0.00 O ATOM 0 H ASP A 15 -1.618 -3.879 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.484 -2.308 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.178 -5.319 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.584 -4.541 -3.735 1.00 0.00 H new ATOM 206 N ARG A 16 -1.423 -4.197 -2.352 1.00 0.00 N ATOM 207 CA ARG A 16 -0.913 -4.453 -1.010 1.00 0.00 C ATOM 208 C ARG A 16 -0.462 -3.157 -0.345 1.00 0.00 C ATOM 209 O ARG A 16 -0.802 -2.888 0.807 1.00 0.00 O ATOM 210 CB ARG A 16 0.251 -5.445 -1.065 1.00 0.00 C ATOM 211 CG ARG A 16 -0.191 -6.896 -1.160 1.00 0.00 C ATOM 212 CD ARG A 16 0.739 -7.706 -2.048 1.00 0.00 C ATOM 213 NE ARG A 16 1.797 -8.359 -1.282 1.00 0.00 N ATOM 214 CZ ARG A 16 2.679 -9.207 -1.809 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.631 -9.507 -3.101 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.610 -9.757 -1.041 1.00 0.00 N ATOM 0 H ARG A 16 -0.908 -4.669 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.719 -4.884 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.879 -5.208 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.867 -5.319 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.217 -7.335 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.206 -6.943 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.162 -8.459 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.185 -7.052 -2.797 1.00 0.00 H new ATOM 0 HE ARG A 16 1.865 -8.154 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.916 -9.088 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.309 -10.157 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.650 -9.531 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.285 -10.406 -1.444 1.00 0.00 H new ATOM 230 N VAL A 17 0.305 -2.357 -1.077 1.00 0.00 N ATOM 231 CA VAL A 17 0.802 -1.088 -0.557 1.00 0.00 C ATOM 232 C VAL A 17 -0.308 -0.043 -0.508 1.00 0.00 C ATOM 233 O VAL A 17 -0.336 0.806 0.381 1.00 0.00 O ATOM 234 CB VAL A 17 1.963 -0.546 -1.413 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.578 0.684 -0.761 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.013 -1.623 -1.634 1.00 0.00 C ATOM 0 H VAL A 17 0.596 -2.564 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 17 1.164 -1.280 0.453 1.00 0.00 H new ATOM 0 HB VAL A 17 1.567 -0.254 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.396 1.053 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.820 1.461 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.959 0.421 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.825 -1.221 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.407 -1.950 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.561 -2.471 -2.148 1.00 0.00 H new ATOM 246 N LEU A 18 -1.222 -0.114 -1.471 1.00 0.00 N ATOM 247 CA LEU A 18 -2.335 0.826 -1.538 1.00 0.00 C ATOM 248 C LEU A 18 -3.297 0.616 -0.373 1.00 0.00 C ATOM 249 O LEU A 18 -3.790 1.576 0.218 1.00 0.00 O ATOM 250 CB LEU A 18 -3.081 0.670 -2.865 1.00 0.00 C ATOM 251 CG LEU A 18 -4.309 1.567 -3.028 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.936 2.858 -3.741 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.408 0.836 -3.784 1.00 0.00 C ATOM 0 H LEU A 18 -1.214 -0.812 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.930 1.836 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.388 0.878 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.393 -0.369 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.685 1.819 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.822 3.484 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.184 3.391 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.534 2.626 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.274 1.490 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.044 0.553 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.695 -0.059 -3.233 1.00 0.00 H new ATOM 265 N HIS A 19 -3.562 -0.646 -0.051 1.00 0.00 N ATOM 266 CA HIS A 19 -4.467 -0.982 1.042 1.00 0.00 C ATOM 267 C HIS A 19 -3.833 -0.662 2.393 1.00 0.00 C ATOM 268 O HIS A 19 -4.488 -0.125 3.286 1.00 0.00 O ATOM 269 CB HIS A 19 -4.845 -2.463 0.981 1.00 0.00 C ATOM 270 CG HIS A 19 -5.991 -2.750 0.062 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.859 -2.922 -1.299 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.314 -2.898 0.331 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.078 -3.162 -1.802 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.995 -3.159 -0.855 1.00 0.00 N ATOM 0 H HIS A 19 -3.163 -1.453 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.368 -0.379 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.977 -3.038 0.657 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.099 -2.806 1.984 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.989 -2.875 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.766 -2.825 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.283 -3.335 -2.848 1.00 0.00 H new ATOM 282 N LEU A 20 -2.555 -0.996 2.536 1.00 0.00 N ATOM 283 CA LEU A 20 -1.832 -0.745 3.778 1.00 0.00 C ATOM 284 C LEU A 20 -1.832 0.742 4.117 1.00 0.00 C ATOM 285 O LEU A 20 -2.282 1.145 5.190 1.00 0.00 O ATOM 286 CB LEU A 20 -0.395 -1.259 3.668 1.00 0.00 C ATOM 287 CG LEU A 20 -0.126 -2.589 4.374 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.951 -3.375 3.643 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.274 -2.351 5.822 1.00 0.00 C ATOM 0 H LEU A 20 -1.998 -1.441 1.807 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.340 -1.280 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.144 -1.368 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.277 -0.505 4.079 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.044 -3.177 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.128 -4.318 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.625 -3.577 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.873 -2.795 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.462 -3.308 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.178 -1.744 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.531 -1.831 6.341 1.00 0.00 H new ATOM 301 N LEU A 21 -1.324 1.555 3.196 1.00 0.00 N ATOM 302 CA LEU A 21 -1.264 2.998 3.397 1.00 0.00 C ATOM 303 C LEU A 21 -2.657 3.579 3.620 1.00 0.00 C ATOM 304 O LEU A 21 -2.814 4.596 4.295 1.00 0.00 O ATOM 305 CB LEU A 21 -0.605 3.674 2.193 1.00 0.00 C ATOM 306 CG LEU A 21 0.794 3.161 1.849 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.130 3.462 0.396 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.831 3.776 2.776 1.00 0.00 C ATOM 0 H LEU A 21 -0.948 1.238 2.302 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.665 3.189 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.248 3.541 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.546 4.745 2.384 1.00 0.00 H new ATOM 0 HG LEU A 21 0.808 2.080 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.129 3.090 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.404 2.973 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.098 4.539 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.820 3.399 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.816 4.861 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.601 3.509 3.807 1.00 0.00 H new ATOM 320 N ALA A 22 -3.666 2.927 3.050 1.00 0.00 N ATOM 321 CA ALA A 22 -5.045 3.382 3.189 1.00 0.00 C ATOM 322 C ALA A 22 -5.454 3.459 4.656 1.00 0.00 C ATOM 323 O ALA A 22 -6.039 4.449 5.095 1.00 0.00 O ATOM 324 CB ALA A 22 -5.983 2.458 2.425 1.00 0.00 C ATOM 0 H ALA A 22 -3.555 2.083 2.488 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.115 4.385 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.009 2.808 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.713 2.457 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.900 1.446 2.822 1.00 0.00 H new ATOM 330 N LEU A 23 -5.142 2.410 5.408 1.00 0.00 N ATOM 331 CA LEU A 23 -5.478 2.360 6.827 1.00 0.00 C ATOM 332 C LEU A 23 -4.751 3.457 7.597 1.00 0.00 C ATOM 333 O LEU A 23 -5.378 4.362 8.149 1.00 0.00 O ATOM 334 CB LEU A 23 -5.122 0.992 7.409 1.00 0.00 C ATOM 335 CG LEU A 23 -6.116 -0.127 7.090 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.706 -1.418 7.782 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.523 0.278 7.503 1.00 0.00 C ATOM 0 H LEU A 23 -4.657 1.583 5.060 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.551 2.521 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.139 0.701 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.039 1.085 8.492 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.109 -0.298 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.424 -2.202 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.716 -1.716 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.684 -1.262 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.217 -0.529 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.545 0.476 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.816 1.177 6.962 1.00 0.00 H new ATOM 349 N ARG A 24 -3.426 3.370 7.632 1.00 0.00 N ATOM 350 CA ARG A 24 -2.613 4.356 8.336 1.00 0.00 C ATOM 351 C ARG A 24 -1.262 4.540 7.650 1.00 0.00 C ATOM 352 O ARG A 24 -0.809 3.668 6.908 1.00 0.00 O ATOM 353 CB ARG A 24 -2.405 3.929 9.790 1.00 0.00 C ATOM 354 CG ARG A 24 -2.051 2.457 9.948 1.00 0.00 C ATOM 355 CD ARG A 24 -0.745 2.272 10.704 1.00 0.00 C ATOM 356 NE ARG A 24 -0.765 1.078 11.546 1.00 0.00 N ATOM 357 CZ ARG A 24 0.218 0.741 12.378 1.00 0.00 C ATOM 358 NH1 ARG A 24 1.299 1.504 12.483 1.00 0.00 N ATOM 359 NH2 ARG A 24 0.121 -0.362 13.107 1.00 0.00 N ATOM 0 H ARG A 24 -2.892 2.627 7.181 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.143 5.308 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.611 4.534 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.313 4.138 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.854 1.944 10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.971 1.994 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.078 2.201 9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.557 3.149 11.323 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.580 0.467 11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.380 2.354 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.049 1.241 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.707 -0.953 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.874 -0.620 13.744 1.00 0.00 H new ATOM 373 N PRO A 25 -0.598 5.684 7.888 1.00 0.00 N ATOM 374 CA PRO A 25 0.708 5.980 7.289 1.00 0.00 C ATOM 375 C PRO A 25 1.717 4.859 7.518 1.00 0.00 C ATOM 376 O PRO A 25 1.748 4.247 8.584 1.00 0.00 O ATOM 377 CB PRO A 25 1.151 7.254 8.010 1.00 0.00 C ATOM 378 CG PRO A 25 -0.116 7.900 8.453 1.00 0.00 C ATOM 379 CD PRO A 25 -1.067 6.777 8.760 1.00 0.00 C ATOM 0 HA PRO A 25 0.644 6.089 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.796 7.025 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.717 7.908 7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.050 8.522 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.517 8.549 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.030 6.495 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.098 7.052 8.540 1.00 0.00 H new ATOM 387 N TYR A 26 2.540 4.596 6.508 1.00 0.00 N ATOM 388 CA TYR A 26 3.552 3.549 6.599 1.00 0.00 C ATOM 389 C TYR A 26 4.862 4.002 5.961 1.00 0.00 C ATOM 390 O TYR A 26 4.928 4.234 4.754 1.00 0.00 O ATOM 391 CB TYR A 26 3.055 2.272 5.918 1.00 0.00 C ATOM 392 CG TYR A 26 2.372 1.308 6.862 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.113 0.472 7.688 1.00 0.00 C ATOM 394 CD2 TYR A 26 0.987 1.234 6.927 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.493 -0.410 8.552 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.358 0.354 7.788 1.00 0.00 C ATOM 397 CZ TYR A 26 1.116 -0.465 8.598 1.00 0.00 C ATOM 398 OH TYR A 26 0.494 -1.343 9.456 1.00 0.00 O ATOM 0 H TYR A 26 2.526 5.093 5.617 1.00 0.00 H new ATOM 0 HA TYR A 26 3.734 3.344 7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.361 2.541 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.900 1.769 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.192 0.512 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.391 1.875 6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.084 -1.053 9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.720 0.308 7.826 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.478 -1.255 9.366 1.00 0.00 H new ATOM 408 N ARG A 27 5.901 4.125 6.780 1.00 0.00 N ATOM 409 CA ARG A 27 7.209 4.550 6.295 1.00 0.00 C ATOM 410 C ARG A 27 7.812 3.501 5.367 1.00 0.00 C ATOM 411 O ARG A 27 7.322 2.374 5.285 1.00 0.00 O ATOM 412 CB ARG A 27 8.153 4.810 7.470 1.00 0.00 C ATOM 413 CG ARG A 27 7.568 5.730 8.529 1.00 0.00 C ATOM 414 CD ARG A 27 8.514 5.898 9.708 1.00 0.00 C ATOM 415 NE ARG A 27 8.776 4.631 10.386 1.00 0.00 N ATOM 416 CZ ARG A 27 9.741 3.782 10.034 1.00 0.00 C ATOM 417 NH1 ARG A 27 10.540 4.057 9.011 1.00 0.00 N ATOM 418 NH2 ARG A 27 9.906 2.652 10.708 1.00 0.00 N ATOM 0 H ARG A 27 5.863 3.937 7.782 1.00 0.00 H new ATOM 0 HA ARG A 27 7.077 5.474 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.415 3.858 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.078 5.246 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.357 6.705 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.618 5.326 8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.455 6.324 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.087 6.607 10.417 1.00 0.00 H new ATOM 0 HE ARG A 27 8.184 4.381 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.418 4.924 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.276 3.402 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.295 2.434 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.644 2.001 10.440 1.00 0.00 H new ATOM 432 N LYS A 28 8.876 3.879 4.668 1.00 0.00 N ATOM 433 CA LYS A 28 9.546 2.971 3.743 1.00 0.00 C ATOM 434 C LYS A 28 10.063 1.735 4.473 1.00 0.00 C ATOM 435 O LYS A 28 9.874 0.608 4.016 1.00 0.00 O ATOM 436 CB LYS A 28 10.704 3.686 3.043 1.00 0.00 C ATOM 437 CG LYS A 28 10.305 4.358 1.741 1.00 0.00 C ATOM 438 CD LYS A 28 11.468 5.123 1.130 1.00 0.00 C ATOM 439 CE LYS A 28 11.642 6.486 1.780 1.00 0.00 C ATOM 440 NZ LYS A 28 13.040 6.985 1.659 1.00 0.00 N ATOM 0 H LYS A 28 9.294 4.808 4.724 1.00 0.00 H new ATOM 0 HA LYS A 28 8.820 2.652 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.118 4.436 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.497 2.965 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.952 3.606 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.474 5.040 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.385 4.545 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.301 5.248 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.961 7.199 1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.369 6.423 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.117 7.917 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.688 6.318 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.293 7.069 0.654 1.00 0.00 H new ATOM 454 N ALA A 29 10.715 1.955 5.611 1.00 0.00 N ATOM 455 CA ALA A 29 11.258 0.859 6.403 1.00 0.00 C ATOM 456 C ALA A 29 10.148 0.099 7.123 1.00 0.00 C ATOM 457 O ALA A 29 10.159 -1.130 7.179 1.00 0.00 O ATOM 458 CB ALA A 29 12.275 1.385 7.404 1.00 0.00 C ATOM 0 H ALA A 29 10.879 2.882 6.004 1.00 0.00 H new ATOM 0 HA ALA A 29 11.756 0.166 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.672 0.556 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.089 1.876 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.793 2.101 8.070 1.00 0.00 H new ATOM 464 N GLU A 30 9.192 0.841 7.674 1.00 0.00 N ATOM 465 CA GLU A 30 8.075 0.237 8.391 1.00 0.00 C ATOM 466 C GLU A 30 7.192 -0.569 7.444 1.00 0.00 C ATOM 467 O GLU A 30 6.645 -1.605 7.820 1.00 0.00 O ATOM 468 CB GLU A 30 7.245 1.318 9.086 1.00 0.00 C ATOM 469 CG GLU A 30 6.810 0.940 10.493 1.00 0.00 C ATOM 470 CD GLU A 30 5.615 1.744 10.970 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.473 1.349 10.659 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.824 2.766 11.657 1.00 0.00 O ATOM 0 H GLU A 30 9.169 1.860 7.638 1.00 0.00 H new ATOM 0 HA GLU A 30 8.481 -0.440 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.826 2.239 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.360 1.528 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.563 -0.121 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.643 1.091 11.180 1.00 0.00 H new ATOM 479 N LEU A 31 7.058 -0.087 6.212 1.00 0.00 N ATOM 480 CA LEU A 31 6.242 -0.763 5.211 1.00 0.00 C ATOM 481 C LEU A 31 6.967 -1.982 4.651 1.00 0.00 C ATOM 482 O LEU A 31 6.356 -3.025 4.414 1.00 0.00 O ATOM 483 CB LEU A 31 5.887 0.200 4.077 1.00 0.00 C ATOM 484 CG LEU A 31 4.836 -0.316 3.094 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.512 -0.554 3.805 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.657 0.662 1.944 1.00 0.00 C ATOM 0 H LEU A 31 7.504 0.769 5.884 1.00 0.00 H new ATOM 0 HA LEU A 31 5.324 -1.099 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.528 1.133 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.796 0.435 3.523 1.00 0.00 H new ATOM 0 HG LEU A 31 5.182 -1.266 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.776 -0.921 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.651 -1.293 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.160 0.381 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.905 0.279 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.333 1.627 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.604 0.783 1.418 1.00 0.00 H new ATOM 498 N LEU A 32 8.271 -1.843 4.440 1.00 0.00 N ATOM 499 CA LEU A 32 9.079 -2.933 3.907 1.00 0.00 C ATOM 500 C LEU A 32 9.138 -4.100 4.887 1.00 0.00 C ATOM 501 O LEU A 32 9.068 -5.262 4.490 1.00 0.00 O ATOM 502 CB LEU A 32 10.494 -2.441 3.596 1.00 0.00 C ATOM 503 CG LEU A 32 10.625 -1.603 2.323 1.00 0.00 C ATOM 504 CD1 LEU A 32 11.952 -0.861 2.305 1.00 0.00 C ATOM 505 CD2 LEU A 32 10.487 -2.485 1.091 1.00 0.00 C ATOM 0 H LEU A 32 8.791 -0.986 4.630 1.00 0.00 H new ATOM 0 HA LEU A 32 8.611 -3.281 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.850 -1.850 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.152 -3.306 3.512 1.00 0.00 H new ATOM 0 HG LEU A 32 9.822 -0.866 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.026 -0.271 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.011 -0.200 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.771 -1.579 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.583 -1.874 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.269 -3.244 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.511 -2.969 1.098 1.00 0.00 H new ATOM 517 N LEU A 33 9.269 -3.781 6.171 1.00 0.00 N ATOM 518 CA LEU A 33 9.339 -4.803 7.209 1.00 0.00 C ATOM 519 C LEU A 33 8.044 -5.605 7.272 1.00 0.00 C ATOM 520 O LEU A 33 8.060 -6.806 7.543 1.00 0.00 O ATOM 521 CB LEU A 33 9.621 -4.160 8.568 1.00 0.00 C ATOM 522 CG LEU A 33 11.049 -3.649 8.760 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.174 -2.891 10.072 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.037 -4.805 8.714 1.00 0.00 C ATOM 0 H LEU A 33 9.329 -2.823 6.517 1.00 0.00 H new ATOM 0 HA LEU A 33 10.154 -5.483 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.932 -3.327 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.404 -4.889 9.349 1.00 0.00 H new ATOM 0 HG LEU A 33 11.282 -2.963 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.197 -2.535 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.492 -2.040 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.922 -3.553 10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.049 -4.424 8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.804 -5.514 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.966 -5.306 7.748 1.00 0.00 H new ATOM 536 N ARG A 34 6.925 -4.936 7.021 1.00 0.00 N ATOM 537 CA ARG A 34 5.620 -5.588 7.051 1.00 0.00 C ATOM 538 C ARG A 34 5.426 -6.473 5.823 1.00 0.00 C ATOM 539 O ARG A 34 5.067 -7.644 5.940 1.00 0.00 O ATOM 540 CB ARG A 34 4.506 -4.543 7.124 1.00 0.00 C ATOM 541 CG ARG A 34 3.382 -4.917 8.078 1.00 0.00 C ATOM 542 CD ARG A 34 2.690 -6.200 7.648 1.00 0.00 C ATOM 543 NE ARG A 34 1.284 -6.223 8.046 1.00 0.00 N ATOM 544 CZ ARG A 34 0.868 -6.502 9.279 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.744 -6.781 10.236 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.429 -6.501 9.557 1.00 0.00 N ATOM 0 H ARG A 34 6.894 -3.942 6.794 1.00 0.00 H new ATOM 0 HA ARG A 34 5.576 -6.217 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.933 -3.590 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.091 -4.396 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.783 -5.038 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.654 -4.106 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.762 -6.306 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.205 -7.054 8.087 1.00 0.00 H new ATOM 0 HE ARG A 34 0.581 -6.013 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.743 -6.782 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.419 -6.994 11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.107 -6.286 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.748 -6.715 10.502 1.00 0.00 H new ATOM 560 N LEU A 35 5.664 -5.904 4.646 1.00 0.00 N ATOM 561 CA LEU A 35 5.515 -6.640 3.396 1.00 0.00 C ATOM 562 C LEU A 35 6.442 -7.851 3.361 1.00 0.00 C ATOM 563 O LEU A 35 6.125 -8.870 2.746 1.00 0.00 O ATOM 564 CB LEU A 35 5.806 -5.726 2.204 1.00 0.00 C ATOM 565 CG LEU A 35 4.740 -4.664 1.927 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.323 -3.526 1.104 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.546 -5.282 1.215 1.00 0.00 C ATOM 0 H LEU A 35 5.961 -4.935 4.532 1.00 0.00 H new ATOM 0 HA LEU A 35 4.486 -6.993 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.760 -5.226 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.923 -6.343 1.313 1.00 0.00 H new ATOM 0 HG LEU A 35 4.400 -4.259 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.551 -2.780 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.147 -3.066 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.690 -3.915 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.797 -4.513 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.870 -5.714 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.114 -6.063 1.840 1.00 0.00 H new ATOM 579 N GLN A 36 7.588 -7.733 4.023 1.00 0.00 N ATOM 580 CA GLN A 36 8.561 -8.819 4.066 1.00 0.00 C ATOM 581 C GLN A 36 7.977 -10.047 4.756 1.00 0.00 C ATOM 582 O GLN A 36 8.306 -11.182 4.411 1.00 0.00 O ATOM 583 CB GLN A 36 9.832 -8.364 4.788 1.00 0.00 C ATOM 584 CG GLN A 36 11.091 -8.503 3.948 1.00 0.00 C ATOM 585 CD GLN A 36 12.354 -8.231 4.740 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.944 -9.142 5.321 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.775 -6.972 4.769 1.00 0.00 N ATOM 0 H GLN A 36 7.866 -6.897 4.537 1.00 0.00 H new ATOM 0 HA GLN A 36 8.813 -9.090 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.717 -7.322 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.949 -8.946 5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.137 -9.510 3.533 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.039 -7.813 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.255 -6.249 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.619 -6.728 5.288 1.00 0.00 H new ATOM 596 N LYS A 37 7.108 -9.813 5.735 1.00 0.00 N ATOM 597 CA LYS A 37 6.479 -10.901 6.475 1.00 0.00 C ATOM 598 C LYS A 37 5.674 -11.800 5.541 1.00 0.00 C ATOM 599 O LYS A 37 5.815 -13.023 5.568 1.00 0.00 O ATOM 600 CB LYS A 37 5.571 -10.342 7.572 1.00 0.00 C ATOM 601 CG LYS A 37 6.330 -9.827 8.784 1.00 0.00 C ATOM 602 CD LYS A 37 5.422 -9.041 9.716 1.00 0.00 C ATOM 603 CE LYS A 37 4.465 -9.955 10.464 1.00 0.00 C ATOM 604 NZ LYS A 37 3.183 -10.136 9.730 1.00 0.00 N ATOM 0 H LYS A 37 6.824 -8.880 6.034 1.00 0.00 H new ATOM 0 HA LYS A 37 7.267 -11.498 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.971 -9.532 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.878 -11.121 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.769 -10.666 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.154 -9.193 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.027 -8.483 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.854 -8.310 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.936 -10.926 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.263 -9.539 11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.410 -9.693 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.253 -9.690 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.988 -11.151 9.616 1.00 0.00 H new ATOM 618 N ASP A 38 4.831 -11.187 4.717 1.00 0.00 N ATOM 619 CA ASP A 38 4.005 -11.933 3.775 1.00 0.00 C ATOM 620 C ASP A 38 4.829 -12.399 2.580 1.00 0.00 C ATOM 621 O ASP A 38 4.666 -13.521 2.100 1.00 0.00 O ATOM 622 CB ASP A 38 2.835 -11.072 3.297 1.00 0.00 C ATOM 623 CG ASP A 38 1.706 -11.019 4.308 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.996 -11.007 5.522 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.531 -10.991 3.884 1.00 0.00 O ATOM 0 H ASP A 38 4.702 -10.176 4.682 1.00 0.00 H new ATOM 0 HA ASP A 38 3.615 -12.811 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.189 -10.060 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.457 -11.468 2.355 1.00 0.00 H new ATOM 630 N GLY A 39 5.714 -11.530 2.103 1.00 0.00 N ATOM 631 CA GLY A 39 6.551 -11.870 0.966 1.00 0.00 C ATOM 632 C GLY A 39 7.110 -10.645 0.272 1.00 0.00 C ATOM 633 O GLY A 39 6.359 -9.784 -0.187 1.00 0.00 O ATOM 0 H GLY A 39 5.867 -10.596 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.374 -12.502 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.970 -12.455 0.253 1.00 0.00 H new ATOM 637 N LEU A 40 8.435 -10.565 0.192 1.00 0.00 N ATOM 638 CA LEU A 40 9.096 -9.436 -0.453 1.00 0.00 C ATOM 639 C LEU A 40 10.522 -9.796 -0.853 1.00 0.00 C ATOM 640 O LEU A 40 11.171 -10.619 -0.206 1.00 0.00 O ATOM 641 CB LEU A 40 9.106 -8.223 0.481 1.00 0.00 C ATOM 642 CG LEU A 40 9.622 -6.927 -0.146 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.514 -6.235 -0.926 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.180 -6.003 0.926 1.00 0.00 C ATOM 0 H LEU A 40 9.072 -11.269 0.566 1.00 0.00 H new ATOM 0 HA LEU A 40 8.537 -9.187 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.092 -8.055 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.720 -8.458 1.350 1.00 0.00 H new ATOM 0 HG LEU A 40 10.426 -7.174 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.899 -5.315 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.160 -6.895 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.689 -5.999 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.543 -5.086 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.395 -5.762 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.002 -6.499 1.442 1.00 0.00 H new ATOM 656 N THR A 41 11.005 -9.177 -1.926 1.00 0.00 N ATOM 657 CA THR A 41 12.356 -9.433 -2.414 1.00 0.00 C ATOM 658 C THR A 41 13.031 -8.137 -2.850 1.00 0.00 C ATOM 659 O THR A 41 12.442 -7.060 -2.768 1.00 0.00 O ATOM 660 CB THR A 41 12.319 -10.421 -3.581 1.00 0.00 C ATOM 661 OG1 THR A 41 11.477 -9.943 -4.615 1.00 0.00 O ATOM 662 CG2 THR A 41 11.828 -11.797 -3.187 1.00 0.00 C ATOM 0 H THR A 41 10.481 -8.495 -2.474 1.00 0.00 H new ATOM 0 HA THR A 41 12.935 -9.866 -1.598 1.00 0.00 H new ATOM 0 HB THR A 41 13.352 -10.506 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.467 -10.588 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.827 -12.447 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.487 -12.214 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.816 -11.722 -2.789 1.00 0.00 H new ATOM 670 N GLN A 42 14.272 -8.249 -3.315 1.00 0.00 N ATOM 671 CA GLN A 42 15.028 -7.086 -3.764 1.00 0.00 C ATOM 672 C GLN A 42 14.322 -6.392 -4.925 1.00 0.00 C ATOM 673 O GLN A 42 14.420 -5.176 -5.085 1.00 0.00 O ATOM 674 CB GLN A 42 16.439 -7.500 -4.185 1.00 0.00 C ATOM 675 CG GLN A 42 17.374 -6.325 -4.416 1.00 0.00 C ATOM 676 CD GLN A 42 17.892 -5.730 -3.121 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.660 -6.364 -2.397 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.474 -4.505 -2.824 1.00 0.00 N ATOM 0 H GLN A 42 14.775 -9.133 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 42 15.095 -6.385 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.864 -8.146 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.378 -8.090 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.217 -6.651 -5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.851 -5.554 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.837 -4.017 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.790 -4.052 -1.966 1.00 0.00 H new ATOM 687 N ALA A 43 13.611 -7.173 -5.731 1.00 0.00 N ATOM 688 CA ALA A 43 12.889 -6.632 -6.877 1.00 0.00 C ATOM 689 C ALA A 43 11.692 -5.801 -6.431 1.00 0.00 C ATOM 690 O ALA A 43 11.296 -4.851 -7.106 1.00 0.00 O ATOM 691 CB ALA A 43 12.439 -7.758 -7.796 1.00 0.00 C ATOM 0 H ALA A 43 13.519 -8.182 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 43 13.567 -5.978 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.901 -7.340 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.310 -8.308 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.782 -8.434 -7.248 1.00 0.00 H new ATOM 697 N ASP A 44 11.118 -6.163 -5.288 1.00 0.00 N ATOM 698 CA ASP A 44 9.965 -5.449 -4.751 1.00 0.00 C ATOM 699 C ASP A 44 10.405 -4.295 -3.855 1.00 0.00 C ATOM 700 O ASP A 44 9.706 -3.289 -3.735 1.00 0.00 O ATOM 701 CB ASP A 44 9.068 -6.407 -3.964 1.00 0.00 C ATOM 702 CG ASP A 44 8.542 -7.541 -4.821 1.00 0.00 C ATOM 703 OD1 ASP A 44 8.020 -7.262 -5.921 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.652 -8.710 -4.394 1.00 0.00 O ATOM 0 H ASP A 44 11.433 -6.947 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 44 9.402 -5.038 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.629 -6.819 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.229 -5.853 -3.545 1.00 0.00 H new ATOM 709 N LYS A 45 11.566 -4.449 -3.226 1.00 0.00 N ATOM 710 CA LYS A 45 12.098 -3.420 -2.340 1.00 0.00 C ATOM 711 C LYS A 45 12.260 -2.093 -3.075 1.00 0.00 C ATOM 712 O LYS A 45 11.615 -1.101 -2.735 1.00 0.00 O ATOM 713 CB LYS A 45 13.444 -3.864 -1.760 1.00 0.00 C ATOM 714 CG LYS A 45 13.329 -4.539 -0.403 1.00 0.00 C ATOM 715 CD LYS A 45 14.459 -4.125 0.524 1.00 0.00 C ATOM 716 CE LYS A 45 13.994 -4.046 1.969 1.00 0.00 C ATOM 717 NZ LYS A 45 14.968 -3.318 2.828 1.00 0.00 N ATOM 0 H LYS A 45 12.156 -5.276 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 45 11.387 -3.276 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.922 -4.550 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.096 -2.995 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.372 -4.283 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.341 -5.621 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.278 -4.840 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.850 -3.156 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.027 -3.545 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.849 -5.053 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.613 -3.286 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.884 -3.810 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.088 -2.348 2.472 1.00 0.00 H new ATOM 731 N ASP A 46 13.127 -2.082 -4.083 1.00 0.00 N ATOM 732 CA ASP A 46 13.376 -0.875 -4.864 1.00 0.00 C ATOM 733 C ASP A 46 12.099 -0.393 -5.545 1.00 0.00 C ATOM 734 O ASP A 46 11.917 0.805 -5.764 1.00 0.00 O ATOM 735 CB ASP A 46 14.460 -1.135 -5.911 1.00 0.00 C ATOM 736 CG ASP A 46 15.109 0.143 -6.400 1.00 0.00 C ATOM 737 OD1 ASP A 46 14.559 0.772 -7.328 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.170 0.516 -5.856 1.00 0.00 O ATOM 0 H ASP A 46 13.668 -2.895 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 46 13.718 -0.096 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.223 -1.787 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.024 -1.665 -6.758 1.00 0.00 H new ATOM 743 N ALA A 47 11.217 -1.330 -5.877 1.00 0.00 N ATOM 744 CA ALA A 47 9.959 -0.998 -6.533 1.00 0.00 C ATOM 745 C ALA A 47 9.035 -0.232 -5.591 1.00 0.00 C ATOM 746 O ALA A 47 8.230 0.592 -6.028 1.00 0.00 O ATOM 747 CB ALA A 47 9.277 -2.262 -7.038 1.00 0.00 C ATOM 0 H ALA A 47 11.351 -2.326 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 47 10.179 -0.354 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.338 -1.999 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.928 -2.766 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.075 -2.927 -6.198 1.00 0.00 H new ATOM 753 N LEU A 48 9.154 -0.510 -4.297 1.00 0.00 N ATOM 754 CA LEU A 48 8.329 0.152 -3.293 1.00 0.00 C ATOM 755 C LEU A 48 8.630 1.646 -3.239 1.00 0.00 C ATOM 756 O LEU A 48 7.726 2.467 -3.088 1.00 0.00 O ATOM 757 CB LEU A 48 8.562 -0.476 -1.917 1.00 0.00 C ATOM 758 CG LEU A 48 7.539 -0.093 -0.849 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.251 -0.880 -1.039 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.108 -0.326 0.542 1.00 0.00 C ATOM 0 H LEU A 48 9.814 -1.189 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 48 7.284 0.020 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.563 -1.561 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.554 -0.190 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 48 7.312 0.968 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.533 -0.595 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.834 -0.663 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.462 -1.947 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.366 -0.048 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.364 -1.379 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.003 0.282 0.675 1.00 0.00 H new ATOM 772 N ASP A 49 9.907 1.992 -3.365 1.00 0.00 N ATOM 773 CA ASP A 49 10.329 3.388 -3.330 1.00 0.00 C ATOM 774 C ASP A 49 9.663 4.187 -4.447 1.00 0.00 C ATOM 775 O ASP A 49 9.150 5.282 -4.219 1.00 0.00 O ATOM 776 CB ASP A 49 11.850 3.486 -3.455 1.00 0.00 C ATOM 777 CG ASP A 49 12.389 4.806 -2.940 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.040 5.856 -3.520 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.161 4.791 -1.959 1.00 0.00 O ATOM 0 H ASP A 49 10.668 1.325 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 49 10.022 3.810 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.311 2.668 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.134 3.364 -4.500 1.00 0.00 H new ATOM 784 N GLY A 50 9.678 3.630 -5.654 1.00 0.00 N ATOM 785 CA GLY A 50 9.073 4.306 -6.789 1.00 0.00 C ATOM 786 C GLY A 50 7.559 4.233 -6.769 1.00 0.00 C ATOM 787 O GLY A 50 6.883 5.110 -7.308 1.00 0.00 O ATOM 0 H GLY A 50 10.097 2.725 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.383 5.351 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.443 3.860 -7.712 1.00 0.00 H new ATOM 791 N LEU A 51 7.025 3.186 -6.149 1.00 0.00 N ATOM 792 CA LEU A 51 5.581 3.003 -6.065 1.00 0.00 C ATOM 793 C LEU A 51 4.968 3.959 -5.046 1.00 0.00 C ATOM 794 O LEU A 51 3.928 4.568 -5.298 1.00 0.00 O ATOM 795 CB LEU A 51 5.249 1.557 -5.687 1.00 0.00 C ATOM 796 CG LEU A 51 3.863 1.075 -6.125 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.979 0.082 -7.272 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.119 0.452 -4.954 1.00 0.00 C ATOM 0 H LEU A 51 7.570 2.452 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 51 5.156 3.223 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.001 0.901 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.328 1.453 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 51 3.295 1.938 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.984 -0.249 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.470 0.561 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.566 -0.778 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.136 0.116 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.685 -0.399 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.002 1.192 -4.162 1.00 0.00 H new ATOM 810 N LEU A 52 5.619 4.085 -3.894 1.00 0.00 N ATOM 811 CA LEU A 52 5.137 4.968 -2.836 1.00 0.00 C ATOM 812 C LEU A 52 5.027 6.405 -3.332 1.00 0.00 C ATOM 813 O LEU A 52 4.043 7.093 -3.060 1.00 0.00 O ATOM 814 CB LEU A 52 6.071 4.905 -1.626 1.00 0.00 C ATOM 815 CG LEU A 52 6.026 3.594 -0.840 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.280 3.435 0.005 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.782 3.541 0.035 1.00 0.00 C ATOM 0 H LEU A 52 6.481 3.588 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 52 4.144 4.629 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.093 5.072 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.822 5.724 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 52 5.984 2.768 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.230 2.497 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.157 3.429 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.353 4.266 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.766 2.602 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.795 4.375 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.893 3.609 -0.592 1.00 0.00 H new ATOM 829 N GLN A 53 6.043 6.855 -4.060 1.00 0.00 N ATOM 830 CA GLN A 53 6.060 8.212 -4.593 1.00 0.00 C ATOM 831 C GLN A 53 4.880 8.448 -5.532 1.00 0.00 C ATOM 832 O GLN A 53 4.422 9.580 -5.694 1.00 0.00 O ATOM 833 CB GLN A 53 7.374 8.475 -5.332 1.00 0.00 C ATOM 834 CG GLN A 53 8.571 8.632 -4.409 1.00 0.00 C ATOM 835 CD GLN A 53 9.533 9.705 -4.879 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.022 9.666 -6.008 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.811 10.672 -4.011 1.00 0.00 N ATOM 0 H GLN A 53 6.866 6.300 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 53 5.975 8.904 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.564 7.653 -6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.268 9.378 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.222 8.876 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.099 7.681 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.383 10.665 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.453 11.421 -4.270 1.00 0.00 H new ATOM 846 N GLN A 54 4.395 7.377 -6.151 1.00 0.00 N ATOM 847 CA GLN A 54 3.270 7.473 -7.075 1.00 0.00 C ATOM 848 C GLN A 54 1.945 7.260 -6.349 1.00 0.00 C ATOM 849 O GLN A 54 1.053 8.108 -6.405 1.00 0.00 O ATOM 850 CB GLN A 54 3.422 6.447 -8.200 1.00 0.00 C ATOM 851 CG GLN A 54 3.806 7.063 -9.536 1.00 0.00 C ATOM 852 CD GLN A 54 2.643 7.765 -10.209 1.00 0.00 C ATOM 853 OE1 GLN A 54 1.673 8.150 -9.556 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.734 7.935 -11.523 1.00 0.00 N ATOM 0 H GLN A 54 4.763 6.433 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 54 3.268 8.475 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.179 5.717 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.484 5.905 -8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.617 7.775 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.186 6.283 -10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.556 7.600 -12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.981 8.401 -12.030 1.00 0.00 H new ATOM 863 N VAL A 55 1.819 6.123 -5.672 1.00 0.00 N ATOM 864 CA VAL A 55 0.599 5.800 -4.941 1.00 0.00 C ATOM 865 C VAL A 55 0.731 6.150 -3.462 1.00 0.00 C ATOM 866 O VAL A 55 0.179 5.466 -2.601 1.00 0.00 O ATOM 867 CB VAL A 55 0.245 4.307 -5.074 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.099 3.965 -6.515 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.390 3.439 -4.572 1.00 0.00 C ATOM 0 H VAL A 55 2.546 5.410 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.200 6.397 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.631 4.105 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.346 2.906 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.954 4.560 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.756 4.183 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.121 2.388 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.286 3.643 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.584 3.664 -3.523 1.00 0.00 H new ATOM 879 N ALA A 56 1.465 7.221 -3.174 1.00 0.00 N ATOM 880 CA ALA A 56 1.667 7.661 -1.797 1.00 0.00 C ATOM 881 C ALA A 56 2.497 8.940 -1.746 1.00 0.00 C ATOM 882 O ALA A 56 3.066 9.363 -2.752 1.00 0.00 O ATOM 883 CB ALA A 56 2.335 6.562 -0.983 1.00 0.00 C ATOM 0 H ALA A 56 1.929 7.799 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 56 0.690 7.875 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.479 6.905 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.703 5.674 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.302 6.319 -1.424 1.00 0.00 H new ATOM 889 N ASN A 57 2.565 9.548 -0.566 1.00 0.00 N ATOM 890 CA ASN A 57 3.327 10.778 -0.382 1.00 0.00 C ATOM 891 C ASN A 57 4.581 10.520 0.450 1.00 0.00 C ATOM 892 O ASN A 57 4.887 9.378 0.791 1.00 0.00 O ATOM 893 CB ASN A 57 2.461 11.844 0.294 1.00 0.00 C ATOM 894 CG ASN A 57 1.825 12.790 -0.704 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.065 13.997 -0.674 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.006 12.245 -1.597 1.00 0.00 N ATOM 0 H ASN A 57 2.102 9.209 0.277 1.00 0.00 H new ATOM 0 HA ASN A 57 3.632 11.139 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.680 11.357 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.072 12.415 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.548 12.832 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.835 11.239 -1.586 1.00 0.00 H new ATOM 903 N MET A 58 5.301 11.590 0.774 1.00 0.00 N ATOM 904 CA MET A 58 6.520 11.476 1.567 1.00 0.00 C ATOM 905 C MET A 58 6.906 12.825 2.166 1.00 0.00 C ATOM 906 O MET A 58 7.116 13.800 1.443 1.00 0.00 O ATOM 907 CB MET A 58 7.665 10.940 0.706 1.00 0.00 C ATOM 908 CG MET A 58 8.804 10.342 1.514 1.00 0.00 C ATOM 909 SD MET A 58 10.145 9.727 0.477 1.00 0.00 S ATOM 910 CE MET A 58 9.329 8.372 -0.363 1.00 0.00 C ATOM 0 H MET A 58 5.062 12.543 0.500 1.00 0.00 H new ATOM 0 HA MET A 58 6.331 10.777 2.382 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.274 10.182 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.054 11.750 0.089 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.195 11.096 2.197 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.420 9.526 2.126 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.078 7.702 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.711 7.823 0.347 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.701 8.765 -1.163 1.00 0.00 H new ATOM 920 N SER A 59 7.000 12.874 3.491 1.00 0.00 N ATOM 921 CA SER A 59 7.361 14.102 4.188 1.00 0.00 C ATOM 922 C SER A 59 8.872 14.201 4.371 1.00 0.00 C ATOM 923 O SER A 59 9.568 13.188 4.436 1.00 0.00 O ATOM 924 CB SER A 59 6.667 14.164 5.550 1.00 0.00 C ATOM 925 OG SER A 59 6.612 15.494 6.036 1.00 0.00 O ATOM 0 H SER A 59 6.831 12.076 4.104 1.00 0.00 H new ATOM 0 HA SER A 59 7.030 14.944 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.657 13.763 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.201 13.535 6.262 1.00 0.00 H new ATOM 0 HG SER A 59 6.162 15.506 6.907 1.00 0.00 H new ATOM 931 N ALA A 60 9.375 15.429 4.452 1.00 0.00 N ATOM 932 CA ALA A 60 10.803 15.661 4.627 1.00 0.00 C ATOM 933 C ALA A 60 11.141 15.927 6.091 1.00 0.00 C ATOM 934 O ALA A 60 12.060 16.685 6.398 1.00 0.00 O ATOM 935 CB ALA A 60 11.257 16.826 3.759 1.00 0.00 C ATOM 0 H ALA A 60 8.814 16.279 4.399 1.00 0.00 H new ATOM 0 HA ALA A 60 11.334 14.761 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.326 16.989 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.059 16.598 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.712 17.726 4.044 1.00 0.00 H new ATOM 941 N LYS A 61 10.391 15.297 6.989 1.00 0.00 N ATOM 942 CA LYS A 61 10.611 15.465 8.421 1.00 0.00 C ATOM 943 C LYS A 61 10.691 14.111 9.121 1.00 0.00 C ATOM 944 O LYS A 61 11.584 13.873 9.934 1.00 0.00 O ATOM 945 CB LYS A 61 9.490 16.308 9.034 1.00 0.00 C ATOM 946 CG LYS A 61 9.945 17.687 9.486 1.00 0.00 C ATOM 947 CD LYS A 61 10.176 17.733 10.988 1.00 0.00 C ATOM 948 CE LYS A 61 10.951 18.975 11.395 1.00 0.00 C ATOM 949 NZ LYS A 61 11.866 18.709 12.539 1.00 0.00 N ATOM 0 H LYS A 61 9.626 14.666 6.751 1.00 0.00 H new ATOM 0 HA LYS A 61 11.561 15.981 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.689 16.420 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.070 15.775 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.865 17.956 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.195 18.428 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.217 17.716 11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.723 16.843 11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.529 19.337 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.252 19.766 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.376 19.581 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.313 18.388 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.550 17.972 12.273 1.00 0.00 H new ATOM 963 N ASP A 62 9.752 13.227 8.798 1.00 0.00 N ATOM 964 CA ASP A 62 9.717 11.897 9.395 1.00 0.00 C ATOM 965 C ASP A 62 10.076 10.830 8.366 1.00 0.00 C ATOM 966 O ASP A 62 10.981 10.025 8.584 1.00 0.00 O ATOM 967 CB ASP A 62 8.331 11.614 9.976 1.00 0.00 C ATOM 968 CG ASP A 62 7.822 12.752 10.839 1.00 0.00 C ATOM 969 OD1 ASP A 62 7.338 13.755 10.274 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.908 12.642 12.080 1.00 0.00 O ATOM 0 H ASP A 62 9.006 13.408 8.127 1.00 0.00 H new ATOM 0 HA ASP A 62 10.454 11.866 10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.628 11.437 9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.368 10.700 10.569 1.00 0.00 H new ATOM 975 N GLY A 63 9.362 10.831 7.245 1.00 0.00 N ATOM 976 CA GLY A 63 9.621 9.858 6.200 1.00 0.00 C ATOM 977 C GLY A 63 8.528 8.812 6.097 1.00 0.00 C ATOM 978 O GLY A 63 8.797 7.654 5.778 1.00 0.00 O ATOM 0 H GLY A 63 8.609 11.488 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.718 10.373 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.574 9.365 6.395 1.00 0.00 H new ATOM 982 N THR A 64 7.293 9.220 6.367 1.00 0.00 N ATOM 983 CA THR A 64 6.155 8.309 6.303 1.00 0.00 C ATOM 984 C THR A 64 5.416 8.454 4.975 1.00 0.00 C ATOM 985 O THR A 64 5.323 9.550 4.423 1.00 0.00 O ATOM 986 CB THR A 64 5.196 8.574 7.465 1.00 0.00 C ATOM 987 OG1 THR A 64 5.907 8.988 8.618 1.00 0.00 O ATOM 988 CG2 THR A 64 4.369 7.365 7.845 1.00 0.00 C ATOM 0 H THR A 64 7.054 10.175 6.632 1.00 0.00 H new ATOM 0 HA THR A 64 6.533 7.290 6.379 1.00 0.00 H new ATOM 0 HB THR A 64 4.525 9.357 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.276 9.154 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.710 7.621 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.770 7.051 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.030 6.551 8.144 1.00 0.00 H new ATOM 996 N CYS A 65 4.894 7.342 4.470 1.00 0.00 N ATOM 997 CA CYS A 65 4.163 7.347 3.208 1.00 0.00 C ATOM 998 C CYS A 65 2.657 7.345 3.452 1.00 0.00 C ATOM 999 O CYS A 65 2.108 6.390 4.002 1.00 0.00 O ATOM 1000 CB CYS A 65 4.556 6.133 2.363 1.00 0.00 C ATOM 1001 SG CYS A 65 6.334 5.981 2.073 1.00 0.00 S ATOM 0 H CYS A 65 4.963 6.426 4.914 1.00 0.00 H new ATOM 0 HA CYS A 65 4.424 8.257 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.201 5.229 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.046 6.192 1.402 1.00 0.00 H new ATOM 0 HG CYS A 65 6.758 4.853 2.560 1.00 0.00 H new ATOM 1007 N THR A 66 1.995 8.420 3.038 1.00 0.00 N ATOM 1008 CA THR A 66 0.553 8.543 3.212 1.00 0.00 C ATOM 1009 C THR A 66 -0.174 8.350 1.885 1.00 0.00 C ATOM 1010 O THR A 66 0.167 8.977 0.882 1.00 0.00 O ATOM 1011 CB THR A 66 0.203 9.909 3.804 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.142 10.888 3.398 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.161 9.912 5.317 1.00 0.00 C ATOM 0 H THR A 66 2.434 9.218 2.580 1.00 0.00 H new ATOM 0 HA THR A 66 0.229 7.763 3.901 1.00 0.00 H new ATOM 0 HB THR A 66 -0.794 10.139 3.428 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.899 11.755 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.093 10.911 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.591 9.202 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.137 9.625 5.709 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.177 7.478 1.886 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.952 7.202 0.682 1.00 0.00 C ATOM 1023 C LEU A 67 -2.631 8.468 0.169 1.00 0.00 C ATOM 1024 O LEU A 67 -3.146 9.269 0.951 1.00 0.00 O ATOM 1025 CB LEU A 67 -3.002 6.126 0.964 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.699 5.562 -0.275 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -3.010 4.289 -0.741 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -5.169 5.297 0.014 1.00 0.00 C ATOM 0 H LEU A 67 -1.472 6.950 2.707 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.268 6.842 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.524 5.305 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.758 6.543 1.629 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.633 6.301 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.519 3.902 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.971 4.507 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.045 3.544 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.649 4.896 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.256 4.576 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.657 6.228 0.301 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.629 8.642 -1.148 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.245 9.811 -1.764 1.00 0.00 C ATOM 1042 C GLN A 68 -4.738 9.864 -1.457 1.00 0.00 C ATOM 1043 O GLN A 68 -5.273 8.990 -0.776 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.024 9.792 -3.278 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.585 9.516 -3.679 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.160 10.299 -4.905 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.984 10.642 -5.753 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.133 10.587 -5.005 1.00 0.00 N ATOM 0 H GLN A 68 -2.208 7.989 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.775 10.701 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.668 9.032 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.331 10.752 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.926 9.765 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.464 8.450 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.781 10.283 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.478 11.112 -5.808 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.406 10.897 -1.963 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.839 11.062 -1.741 1.00 0.00 C ATOM 1059 C ASP A 69 -7.643 10.332 -2.811 1.00 0.00 C ATOM 1060 O ASP A 69 -8.603 9.625 -2.505 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.206 12.547 -1.735 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.382 12.849 -0.826 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -9.425 12.175 -0.963 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.260 13.758 0.020 1.00 0.00 O ATOM 0 H ASP A 69 -4.979 11.631 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.084 10.630 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.343 13.130 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.445 12.863 -2.750 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.246 10.507 -4.067 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.931 9.864 -5.182 1.00 0.00 C ATOM 1071 C CYS A 70 -7.632 8.369 -5.214 1.00 0.00 C ATOM 1072 O CYS A 70 -8.465 7.568 -5.641 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.513 10.509 -6.505 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.650 12.312 -6.524 1.00 0.00 S ATOM 0 H CYS A 70 -6.453 11.089 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.004 9.999 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.481 10.232 -6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.128 10.100 -7.306 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.272 12.764 -7.683 1.00 0.00 H new ATOM 1080 N MET A 71 -6.439 7.999 -4.762 1.00 0.00 N ATOM 1081 CA MET A 71 -6.029 6.599 -4.739 1.00 0.00 C ATOM 1082 C MET A 71 -6.891 5.792 -3.772 1.00 0.00 C ATOM 1083 O MET A 71 -7.053 4.583 -3.934 1.00 0.00 O ATOM 1084 CB MET A 71 -4.556 6.483 -4.346 1.00 0.00 C ATOM 1085 CG MET A 71 -3.605 7.108 -5.355 1.00 0.00 C ATOM 1086 SD MET A 71 -3.661 6.287 -6.959 1.00 0.00 S ATOM 1087 CE MET A 71 -3.416 4.581 -6.473 1.00 0.00 C ATOM 0 H MET A 71 -5.738 8.649 -4.406 1.00 0.00 H new ATOM 0 HA MET A 71 -6.164 6.192 -5.741 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.409 6.960 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.303 5.430 -4.225 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.855 8.161 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.588 7.066 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.958 4.031 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.763 4.541 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.378 4.131 -6.227 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.440 6.465 -2.766 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.283 5.806 -1.774 1.00 0.00 C ATOM 1099 C TYR A 72 -9.455 5.094 -2.442 1.00 0.00 C ATOM 1100 O TYR A 72 -9.936 4.072 -1.951 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.801 6.825 -0.756 1.00 0.00 C ATOM 1102 CG TYR A 72 -7.979 6.887 0.510 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.913 5.800 1.374 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.270 8.034 0.846 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.163 5.854 2.533 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.517 8.095 2.003 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.467 7.003 2.843 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.719 7.060 3.997 1.00 0.00 O ATOM 0 H TYR A 72 -7.316 7.466 -2.616 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.678 5.062 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.816 7.812 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.831 6.578 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.457 4.898 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.308 8.892 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.122 5.000 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.970 8.994 2.248 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.607 6.156 4.359 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.912 5.639 -3.565 1.00 0.00 N ATOM 1119 CA LYS A 73 -11.028 5.055 -4.300 1.00 0.00 C ATOM 1120 C LYS A 73 -10.675 3.661 -4.809 1.00 0.00 C ATOM 1121 O LYS A 73 -11.539 2.790 -4.911 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.419 5.954 -5.475 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.635 7.408 -5.082 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.092 7.818 -5.236 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.327 8.561 -6.541 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.085 7.692 -7.726 1.00 0.00 N ATOM 0 H LYS A 73 -9.526 6.484 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.874 4.970 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.640 5.904 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.332 5.569 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.322 7.557 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.008 8.050 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.726 6.932 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.383 8.451 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.351 8.934 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.670 9.430 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.305 8.220 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.088 7.398 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.693 6.850 -7.669 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.401 3.458 -5.126 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.933 2.169 -5.625 1.00 0.00 C ATOM 1142 C ASP A 74 -9.025 1.098 -4.542 1.00 0.00 C ATOM 1143 O ASP A 74 -9.186 -0.086 -4.841 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.492 2.284 -6.123 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.415 2.639 -7.595 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -8.330 2.248 -8.349 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.439 3.309 -7.993 1.00 0.00 O ATOM 0 H ASP A 74 -8.674 4.169 -5.047 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.575 1.875 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.969 3.043 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.975 1.340 -5.952 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.921 1.519 -3.286 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.992 0.594 -2.162 1.00 0.00 C ATOM 1154 C VAL A 75 -10.304 -0.184 -2.171 1.00 0.00 C ATOM 1155 O VAL A 75 -11.380 0.393 -2.015 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.854 1.331 -0.815 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.757 0.338 0.333 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.646 2.257 -0.833 1.00 0.00 C ATOM 0 H VAL A 75 -8.787 2.495 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.160 -0.101 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.746 1.938 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.660 0.879 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.656 -0.277 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.885 -0.300 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.565 2.768 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.743 1.673 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.764 2.993 -1.628 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.207 -1.497 -2.353 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.386 -2.354 -2.382 1.00 0.00 C ATOM 1170 C GLN A 76 -11.879 -2.647 -0.969 1.00 0.00 C ATOM 1171 O GLN A 76 -11.112 -2.591 -0.008 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.072 -3.664 -3.107 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.647 -3.473 -4.554 1.00 0.00 C ATOM 1174 CD GLN A 76 -10.477 -4.788 -5.290 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -11.454 -5.459 -5.620 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.230 -5.162 -5.551 1.00 0.00 N ATOM 0 H GLN A 76 -9.324 -1.990 -2.483 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.174 -1.828 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.279 -4.185 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.953 -4.306 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.390 -2.865 -5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.708 -2.920 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.449 -4.574 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.053 -6.037 -6.044 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.166 -2.961 -0.849 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.761 -3.263 0.445 1.00 0.00 C ATOM 1187 C LYS A 77 -13.898 -4.770 0.642 1.00 0.00 C ATOM 1188 O LYS A 77 -14.805 -5.237 1.333 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.130 -2.588 0.570 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.171 -1.483 1.614 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.125 -1.819 2.750 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.518 -1.269 2.488 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.435 -2.311 1.949 1.00 0.00 N ATOM 0 H LYS A 77 -13.815 -3.012 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.102 -2.874 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.411 -2.173 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.876 -3.342 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.170 -1.323 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.479 -0.549 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.177 -2.901 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.740 -1.408 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.930 -0.867 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.454 -0.441 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.374 -1.895 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.056 -2.677 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.516 -3.090 2.634 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.993 -5.527 0.030 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.014 -6.982 0.139 1.00 0.00 C ATOM 1209 C ASP A 78 -11.597 -7.543 0.218 1.00 0.00 C ATOM 1210 O ASP A 78 -11.337 -8.664 -0.219 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.753 -7.592 -1.054 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.216 -7.853 -0.755 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.509 -8.446 0.304 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -16.069 -7.464 -1.581 1.00 0.00 O ATOM 0 H ASP A 78 -12.237 -5.158 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.540 -7.246 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.674 -6.921 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.270 -8.527 -1.337 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.684 -6.756 0.779 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.294 -7.177 0.915 1.00 0.00 C ATOM 1221 C TRP A 79 -9.184 -8.399 1.827 1.00 0.00 C ATOM 1222 O TRP A 79 -9.775 -8.429 2.907 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.446 -6.031 1.473 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.979 -6.200 1.222 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.997 -6.335 2.160 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.328 -6.248 -0.053 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.774 -6.465 1.547 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.951 -6.416 0.189 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.775 -6.169 -1.376 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.020 -6.504 -0.842 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.849 -6.256 -2.398 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.485 -6.423 -2.126 1.00 0.00 C ATOM 0 H TRP A 79 -10.881 -5.825 1.146 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.922 -7.448 -0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.778 -5.093 1.028 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.617 -5.952 2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.158 -6.339 3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.880 -6.579 2.025 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.825 -6.042 -1.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.968 -6.632 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.182 -6.194 -3.423 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.786 -6.489 -2.947 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.426 -9.427 1.406 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.249 -10.648 2.197 1.00 0.00 C ATOM 1245 C PRO A 80 -7.312 -10.449 3.386 1.00 0.00 C ATOM 1246 O PRO A 80 -7.195 -11.320 4.247 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.640 -11.628 1.195 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.909 -10.770 0.223 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.683 -9.483 0.132 1.00 0.00 C ATOM 0 HA PRO A 80 -9.187 -10.987 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.967 -12.330 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.411 -12.219 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.888 -10.587 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.844 -11.254 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.020 -8.625 0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.357 -9.482 -0.724 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.645 -9.299 3.428 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.728 -9.014 4.517 1.00 0.00 C ATOM 1259 C GLY A 81 -6.442 -8.573 5.780 1.00 0.00 C ATOM 1260 O GLY A 81 -6.153 -9.066 6.869 1.00 0.00 O ATOM 0 H GLY A 81 -6.723 -8.561 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.136 -9.904 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.032 -8.235 4.207 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.378 -7.639 5.634 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.134 -7.130 6.774 1.00 0.00 C ATOM 1266 C TYR A 82 -8.884 -8.257 7.476 1.00 0.00 C ATOM 1267 O TYR A 82 -8.880 -9.399 7.019 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.120 -6.051 6.319 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.482 -4.948 5.504 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.226 -4.451 5.831 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.136 -4.404 4.405 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.642 -3.443 5.088 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.559 -3.396 3.658 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.312 -2.919 4.003 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.733 -1.915 3.261 1.00 0.00 O ATOM 0 H TYR A 82 -7.631 -7.220 4.739 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.428 -6.693 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.908 -6.518 5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.596 -5.613 7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.698 -4.859 6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.112 -4.776 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.665 -3.067 5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.082 -2.983 2.808 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.936 -1.584 3.725 1.00 0.00 H new ATOM 1285 N SER A 83 -9.529 -7.926 8.590 1.00 0.00 N ATOM 1286 CA SER A 83 -10.284 -8.909 9.357 1.00 0.00 C ATOM 1287 C SER A 83 -11.442 -8.249 10.099 1.00 0.00 C ATOM 1288 O SER A 83 -12.609 -8.488 9.787 1.00 0.00 O ATOM 1289 CB SER A 83 -9.368 -9.624 10.352 1.00 0.00 C ATOM 1290 OG SER A 83 -10.073 -10.622 11.070 1.00 0.00 O ATOM 0 H SER A 83 -9.544 -6.984 8.981 1.00 0.00 H new ATOM 0 HA SER A 83 -10.693 -9.640 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.532 -10.077 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.947 -8.899 11.049 1.00 0.00 H new ATOM 0 HG SER A 83 -9.464 -11.065 11.698 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.111 -7.417 11.081 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.123 -6.721 11.867 1.00 0.00 C ATOM 1298 C GLU A 84 -11.642 -5.331 12.269 1.00 0.00 C ATOM 1299 O GLU A 84 -12.230 -4.323 11.878 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.475 -7.533 13.117 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.499 -8.626 12.863 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.201 -9.894 13.639 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.006 -9.807 14.869 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -13.162 -10.976 13.016 1.00 0.00 O ATOM 0 H GLU A 84 -10.150 -7.208 11.351 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.014 -6.611 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.566 -7.984 13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.858 -6.858 13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.489 -8.262 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.525 -8.854 11.797 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.568 -5.286 13.053 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.026 -4.015 13.495 1.00 0.00 C ATOM 1313 C GLY A 85 -9.613 -3.125 12.338 1.00 0.00 C ATOM 1314 O GLY A 85 -9.725 -1.902 12.419 1.00 0.00 O ATOM 0 H GLY A 85 -10.065 -6.107 13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.770 -3.497 14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.163 -4.195 14.136 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.135 -3.740 11.262 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.704 -2.995 10.085 1.00 0.00 C ATOM 1320 C ASP A 86 -9.899 -2.600 9.223 1.00 0.00 C ATOM 1321 O ASP A 86 -9.900 -1.541 8.594 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.719 -3.827 9.262 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.310 -3.775 9.820 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.165 -3.668 11.057 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.352 -3.842 9.022 1.00 0.00 O ATOM 0 H ASP A 86 -9.036 -4.752 11.180 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.207 -2.086 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.058 -4.863 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.713 -3.466 8.234 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.913 -3.458 9.197 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.114 -3.198 8.411 1.00 0.00 C ATOM 1332 C GLN A 87 -12.798 -1.914 8.869 1.00 0.00 C ATOM 1333 O GLN A 87 -13.120 -1.047 8.055 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.085 -4.375 8.523 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.475 -5.708 8.119 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.687 -6.025 6.652 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -12.694 -5.130 5.806 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.860 -7.303 6.342 1.00 0.00 N ATOM 0 H GLN A 87 -10.927 -4.339 9.711 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.817 -3.077 7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.441 -4.445 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.955 -4.178 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.406 -5.694 8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.911 -6.502 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.847 -8.012 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.006 -7.577 5.370 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.017 -1.799 10.174 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.664 -0.622 10.740 1.00 0.00 C ATOM 1349 C GLN A 88 -12.808 0.623 10.530 1.00 0.00 C ATOM 1350 O GLN A 88 -13.326 1.704 10.248 1.00 0.00 O ATOM 1351 CB GLN A 88 -13.926 -0.827 12.233 1.00 0.00 C ATOM 1352 CG GLN A 88 -14.671 -2.114 12.549 1.00 0.00 C ATOM 1353 CD GLN A 88 -14.897 -2.308 14.035 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -15.367 -1.404 14.726 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -14.561 -3.491 14.535 1.00 0.00 N ATOM 0 H GLN A 88 -12.756 -2.507 10.860 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.615 -0.479 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.974 -0.829 12.764 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.501 0.018 12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.633 -2.107 12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.107 -2.961 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -14.175 -4.211 13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.689 -3.680 15.529 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.496 0.464 10.670 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.568 1.574 10.498 1.00 0.00 C ATOM 1366 C LEU A 89 -10.571 2.071 9.055 1.00 0.00 C ATOM 1367 O LEU A 89 -10.504 3.274 8.801 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.154 1.151 10.899 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.202 2.301 11.227 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.275 2.651 12.706 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.777 1.942 10.833 1.00 0.00 C ATOM 0 H LEU A 89 -11.052 -0.424 10.902 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.895 2.389 11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.220 0.496 11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.723 0.563 10.088 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.508 3.175 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.590 3.472 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.292 2.951 12.959 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.995 1.781 13.300 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.113 2.772 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.461 1.054 11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.735 1.742 9.762 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.646 1.137 8.113 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.656 1.479 6.694 1.00 0.00 C ATOM 1385 C LEU A 90 -11.955 2.180 6.302 1.00 0.00 C ATOM 1386 O LEU A 90 -12.007 2.891 5.299 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.468 0.220 5.845 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.415 0.460 4.333 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.135 -0.111 3.743 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.633 -0.147 3.651 1.00 0.00 C ATOM 0 H LEU A 90 -10.701 0.137 8.306 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.829 2.165 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.545 -0.272 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.284 -0.470 6.060 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.423 1.536 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.117 0.070 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.274 0.371 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.095 -1.184 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.577 0.034 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.657 -1.221 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.539 0.310 4.049 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.003 1.973 7.095 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.299 2.583 6.822 1.00 0.00 C ATOM 1404 C LYS A 91 -14.327 4.042 7.270 1.00 0.00 C ATOM 1405 O LYS A 91 -15.019 4.869 6.676 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.410 1.802 7.525 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.723 0.467 6.869 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.184 0.085 7.054 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.376 -1.421 7.004 1.00 0.00 C ATOM 1410 NZ LYS A 91 -16.790 -2.096 8.195 1.00 0.00 N ATOM 0 H LYS A 91 -12.979 1.388 7.930 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.464 2.552 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.121 1.629 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.315 2.410 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.491 0.520 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.086 -0.308 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.543 0.467 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.786 0.556 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.440 -1.649 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.914 -1.816 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.229 -3.031 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.765 -2.209 8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.966 -1.520 9.042 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.575 4.353 8.321 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.523 5.713 8.846 1.00 0.00 C ATOM 1426 C ARG A 92 -12.548 6.574 8.048 1.00 0.00 C ATOM 1427 O ARG A 92 -12.737 7.782 7.917 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.119 5.700 10.321 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.741 5.111 10.571 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.142 5.627 11.869 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.208 6.727 11.642 1.00 0.00 N ATOM 1432 CZ ARG A 92 -9.825 7.582 12.587 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -10.294 7.469 13.824 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.972 8.553 12.295 1.00 0.00 N ATOM 0 H ARG A 92 -12.994 3.683 8.825 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.519 6.145 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.144 6.720 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.856 5.129 10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.810 4.024 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.081 5.361 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.942 5.961 12.530 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.627 4.813 12.379 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.827 6.847 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.951 6.724 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.997 8.127 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.609 8.645 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.678 9.209 13.019 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.504 5.944 7.516 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.502 6.657 6.734 1.00 0.00 C ATOM 1450 C VAL A 93 -11.099 7.201 5.440 1.00 0.00 C ATOM 1451 O VAL A 93 -10.810 8.327 5.037 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.303 5.751 6.392 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.206 6.550 5.705 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.771 5.072 7.647 1.00 0.00 C ATOM 0 H VAL A 93 -11.331 4.943 7.613 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.155 7.487 7.349 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.642 4.977 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.369 5.892 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.594 6.984 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.868 7.347 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.925 4.436 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.449 5.829 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.558 4.464 8.093 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.932 6.393 4.792 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.569 6.793 3.543 1.00 0.00 C ATOM 1466 C LEU A 94 -13.499 7.982 3.762 1.00 0.00 C ATOM 1467 O LEU A 94 -13.655 8.831 2.884 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.352 5.622 2.947 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.507 4.405 2.566 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.353 3.141 2.585 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.872 4.604 1.200 1.00 0.00 C ATOM 0 H LEU A 94 -12.182 5.457 5.112 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.786 7.091 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.110 5.309 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.879 5.972 2.059 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.710 4.295 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.735 2.286 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.759 2.990 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.171 3.240 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.275 3.729 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.653 4.740 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.232 5.486 1.221 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.114 8.038 4.939 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.029 9.123 5.272 1.00 0.00 C ATOM 1485 C VAL A 95 -14.268 10.362 5.733 1.00 0.00 C ATOM 1486 O VAL A 95 -14.715 11.490 5.526 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.019 8.705 6.376 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.086 9.771 6.569 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.651 7.361 6.044 1.00 0.00 C ATOM 0 H VAL A 95 -13.995 7.345 5.678 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.585 9.357 4.364 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.469 8.602 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -17.776 9.458 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.614 10.711 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.634 9.910 5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.347 7.081 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.187 7.435 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.872 6.603 5.962 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.117 10.143 6.361 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.293 11.242 6.853 1.00 0.00 C ATOM 1501 C ARG A 96 -11.637 11.990 5.697 1.00 0.00 C ATOM 1502 O ARG A 96 -11.423 13.201 5.769 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.223 10.716 7.812 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.047 11.571 9.056 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.269 11.503 9.956 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.193 12.463 11.055 1.00 0.00 N ATOM 1507 CZ ARG A 96 -11.398 12.320 12.112 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -10.610 11.257 12.218 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -11.392 13.240 13.066 1.00 0.00 N ATOM 0 H ARG A 96 -12.734 9.215 6.541 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.940 11.937 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.484 9.701 8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.271 10.657 7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.169 11.236 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.865 12.606 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.165 11.697 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.366 10.496 10.361 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.785 13.292 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.612 10.546 11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.002 11.152 13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.997 14.058 12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.782 13.130 13.876 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.316 11.262 4.633 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.683 11.857 3.461 1.00 0.00 C ATOM 1525 C LYS A 97 -11.728 12.426 2.507 1.00 0.00 C ATOM 1526 O LYS A 97 -11.758 13.630 2.250 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.826 10.818 2.736 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.788 10.156 3.629 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.626 11.091 3.921 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.519 10.383 4.684 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.929 10.052 6.077 1.00 0.00 N ATOM 0 H LYS A 97 -11.484 10.259 4.558 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.044 12.673 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.477 10.050 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.320 11.297 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.254 9.850 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.416 9.251 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.230 11.484 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.981 11.944 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.244 9.468 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.632 11.016 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.173 9.511 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.102 10.931 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.799 9.483 6.057 1.00 0.00 H new