USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 21 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.071) USER MOD Single : A 9 SER OG : rot -22:sc= 0.16 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 170:sc= -1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 136:sc= 0.236 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.036) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -2.08! (180deg=-5.45!) USER MOD Single : A 52 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.163 K(o=-0.16,f=-1!) USER MOD Single : A 66 CYS SG : rot 107:sc= -6.52! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0693 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.035 1.551 4.069 1.00 0.00 N ATOM 79 CA SER A 9 -11.159 0.428 3.781 1.00 0.00 C ATOM 80 C SER A 9 -11.992 -0.807 3.427 1.00 0.00 C ATOM 81 O SER A 9 -13.217 -0.784 3.532 1.00 0.00 O ATOM 82 CB SER A 9 -10.241 0.127 4.966 1.00 0.00 C ATOM 83 OG SER A 9 -10.954 0.097 6.200 1.00 0.00 O ATOM 0 HA SER A 9 -10.532 0.693 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.749 -0.833 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.457 0.883 5.018 1.00 0.00 H new ATOM 0 HG SER A 9 -11.790 0.600 6.107 1.00 0.00 H new ATOM 89 N LYS A 10 -11.292 -1.854 3.016 1.00 0.00 N ATOM 90 CA LYS A 10 -11.951 -3.096 2.647 1.00 0.00 C ATOM 91 C LYS A 10 -10.903 -4.199 2.495 1.00 0.00 C ATOM 92 O LYS A 10 -9.724 -3.916 2.287 1.00 0.00 O ATOM 93 CB LYS A 10 -12.816 -2.893 1.401 1.00 0.00 C ATOM 94 CG LYS A 10 -11.962 -2.471 0.204 1.00 0.00 C ATOM 95 CD LYS A 10 -12.137 -3.443 -0.965 1.00 0.00 C ATOM 96 CE LYS A 10 -11.780 -2.774 -2.293 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.967 -2.106 -2.873 1.00 0.00 N ATOM 0 H LYS A 10 -10.276 -1.868 2.930 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.635 -3.413 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.345 -3.817 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.572 -2.133 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.241 -1.465 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.913 -2.434 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.505 -4.318 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.168 -3.796 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.985 -2.045 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.397 -3.519 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.707 -1.657 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.714 -2.810 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.315 -1.381 -2.213 1.00 0.00 H new ATOM 111 N PRO A 11 -11.382 -5.467 2.608 1.00 0.00 N ATOM 112 CA PRO A 11 -10.499 -6.614 2.485 1.00 0.00 C ATOM 113 C PRO A 11 -10.111 -6.854 1.025 1.00 0.00 C ATOM 114 O PRO A 11 -10.938 -7.278 0.220 1.00 0.00 O ATOM 115 CB PRO A 11 -11.273 -7.773 3.092 1.00 0.00 C ATOM 116 CG PRO A 11 -12.730 -7.338 3.107 1.00 0.00 C ATOM 117 CD PRO A 11 -12.772 -5.840 2.854 1.00 0.00 C ATOM 0 HA PRO A 11 -9.550 -6.471 3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.142 -8.681 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.921 -7.993 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.295 -7.870 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.190 -7.576 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.404 -5.600 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.180 -5.305 3.711 1.00 0.00 H new ATOM 125 N ILE A 12 -8.851 -6.572 0.727 1.00 0.00 N ATOM 126 CA ILE A 12 -8.342 -6.751 -0.622 1.00 0.00 C ATOM 127 C ILE A 12 -7.467 -8.005 -0.670 1.00 0.00 C ATOM 128 O ILE A 12 -7.176 -8.604 0.364 1.00 0.00 O ATOM 129 CB ILE A 12 -7.629 -5.485 -1.099 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.405 -5.186 -0.231 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.595 -4.299 -1.155 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.407 -4.298 -0.978 1.00 0.00 C ATOM 0 H ILE A 12 -8.167 -6.221 1.397 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.164 -6.908 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.271 -5.657 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.719 -4.693 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.922 -6.120 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.062 -3.412 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.407 -4.524 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.004 -4.116 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.546 -4.100 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.077 -4.805 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.886 -3.355 -1.243 1.00 0.00 H new ATOM 144 N LYS A 13 -7.072 -8.366 -1.882 1.00 0.00 N ATOM 145 CA LYS A 13 -6.236 -9.538 -2.079 1.00 0.00 C ATOM 146 C LYS A 13 -4.970 -9.135 -2.839 1.00 0.00 C ATOM 147 O LYS A 13 -5.039 -8.385 -3.811 1.00 0.00 O ATOM 148 CB LYS A 13 -7.031 -10.656 -2.757 1.00 0.00 C ATOM 149 CG LYS A 13 -6.098 -11.743 -3.295 1.00 0.00 C ATOM 150 CD LYS A 13 -6.501 -13.121 -2.766 1.00 0.00 C ATOM 151 CE LYS A 13 -7.841 -13.565 -3.357 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.327 -14.788 -2.680 1.00 0.00 N ATOM 0 H LYS A 13 -7.316 -7.867 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.916 -9.943 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.731 -11.093 -2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.623 -10.243 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.126 -11.745 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.071 -11.523 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.730 -13.850 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.571 -13.091 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.575 -12.767 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.730 -13.753 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.237 -15.075 -3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.633 -15.553 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.453 -14.597 -1.666 1.00 0.00 H new ATOM 166 N VAL A 14 -3.845 -9.650 -2.366 1.00 0.00 N ATOM 167 CA VAL A 14 -2.566 -9.353 -2.988 1.00 0.00 C ATOM 168 C VAL A 14 -1.832 -10.663 -3.284 1.00 0.00 C ATOM 169 O VAL A 14 -1.824 -11.574 -2.459 1.00 0.00 O ATOM 170 CB VAL A 14 -1.760 -8.403 -2.101 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.303 -8.327 -2.561 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.398 -7.013 -2.066 1.00 0.00 C ATOM 0 H VAL A 14 -3.793 -10.271 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.713 -8.841 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.770 -8.802 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.248 -7.645 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.147 -9.319 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.264 -7.963 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.806 -6.357 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.433 -6.603 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.410 -7.087 -1.669 1.00 0.00 H new ATOM 182 N THR A 15 -1.232 -10.714 -4.465 1.00 0.00 N ATOM 183 CA THR A 15 -0.497 -11.896 -4.879 1.00 0.00 C ATOM 184 C THR A 15 1.010 -11.650 -4.779 1.00 0.00 C ATOM 185 O THR A 15 1.508 -10.629 -5.250 1.00 0.00 O ATOM 186 CB THR A 15 -0.958 -12.270 -6.289 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.281 -12.765 -6.102 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.190 -13.464 -6.860 1.00 0.00 C ATOM 0 H THR A 15 -1.240 -9.956 -5.147 1.00 0.00 H new ATOM 0 HA THR A 15 -0.702 -12.739 -4.219 1.00 0.00 H new ATOM 0 HB THR A 15 -0.836 -11.412 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.657 -13.029 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.557 -13.687 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.872 -13.224 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.338 -14.332 -6.218 1.00 0.00 H new ATOM 196 N LEU A 16 1.693 -12.602 -4.161 1.00 0.00 N ATOM 197 CA LEU A 16 3.133 -12.501 -3.992 1.00 0.00 C ATOM 198 C LEU A 16 3.814 -12.658 -5.354 1.00 0.00 C ATOM 199 O LEU A 16 3.212 -13.166 -6.298 1.00 0.00 O ATOM 200 CB LEU A 16 3.621 -13.502 -2.943 1.00 0.00 C ATOM 201 CG LEU A 16 3.050 -13.327 -1.534 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.391 -14.529 -0.651 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.517 -12.009 -0.912 1.00 0.00 C ATOM 0 H LEU A 16 1.276 -13.447 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 16 3.403 -11.516 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.381 -14.507 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.707 -13.436 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 16 1.964 -13.280 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.974 -14.379 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.969 -15.434 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.474 -14.632 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.097 -11.910 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.605 -12.001 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.182 -11.176 -1.530 1.00 0.00 H new ATOM 215 N PRO A 17 5.092 -12.198 -5.413 1.00 0.00 N ATOM 216 CA PRO A 17 5.861 -12.282 -6.643 1.00 0.00 C ATOM 217 C PRO A 17 6.328 -13.716 -6.901 1.00 0.00 C ATOM 218 O PRO A 17 7.041 -13.975 -7.869 1.00 0.00 O ATOM 219 CB PRO A 17 7.013 -11.308 -6.454 1.00 0.00 C ATOM 220 CG PRO A 17 7.110 -11.063 -4.957 1.00 0.00 C ATOM 221 CD PRO A 17 5.837 -11.589 -4.315 1.00 0.00 C ATOM 0 HA PRO A 17 5.275 -12.020 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.943 -11.723 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.830 -10.377 -6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.983 -11.568 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.230 -9.999 -4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.059 -12.317 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.268 -10.785 -3.848 1.00 0.00 H new ATOM 229 N ASP A 18 5.906 -14.610 -6.019 1.00 0.00 N ATOM 230 CA ASP A 18 6.271 -16.011 -6.140 1.00 0.00 C ATOM 231 C ASP A 18 5.084 -16.797 -6.700 1.00 0.00 C ATOM 232 O ASP A 18 5.238 -17.940 -7.126 1.00 0.00 O ATOM 233 CB ASP A 18 6.631 -16.605 -4.777 1.00 0.00 C ATOM 234 CG ASP A 18 6.922 -18.107 -4.783 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.858 -18.501 -5.512 1.00 0.00 O ATOM 236 OD2 ASP A 18 6.202 -18.828 -4.058 1.00 0.00 O ATOM 0 H ASP A 18 5.315 -14.391 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 18 7.134 -16.079 -6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.505 -16.082 -4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.811 -16.412 -4.085 1.00 0.00 H new ATOM 241 N GLY A 19 3.927 -16.152 -6.681 1.00 0.00 N ATOM 242 CA GLY A 19 2.714 -16.776 -7.182 1.00 0.00 C ATOM 243 C GLY A 19 1.678 -16.934 -6.068 1.00 0.00 C ATOM 244 O GLY A 19 0.476 -16.873 -6.320 1.00 0.00 O ATOM 0 H GLY A 19 3.804 -15.204 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.297 -16.173 -7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.951 -17.753 -7.604 1.00 0.00 H new ATOM 248 N LYS A 20 2.182 -17.133 -4.858 1.00 0.00 N ATOM 249 CA LYS A 20 1.315 -17.300 -3.704 1.00 0.00 C ATOM 250 C LYS A 20 0.409 -16.074 -3.572 1.00 0.00 C ATOM 251 O LYS A 20 0.650 -15.048 -4.205 1.00 0.00 O ATOM 252 CB LYS A 20 2.142 -17.592 -2.451 1.00 0.00 C ATOM 253 CG LYS A 20 1.959 -19.042 -1.999 1.00 0.00 C ATOM 254 CD LYS A 20 0.976 -19.133 -0.831 1.00 0.00 C ATOM 255 CE LYS A 20 1.718 -19.229 0.504 1.00 0.00 C ATOM 256 NZ LYS A 20 1.677 -17.931 1.214 1.00 0.00 N ATOM 0 H LYS A 20 3.180 -17.182 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 20 0.665 -18.165 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.196 -17.401 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.844 -16.917 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.595 -19.643 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.922 -19.458 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.327 -18.257 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.334 -20.005 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.266 -20.004 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.753 -19.523 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.185 -18.013 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.129 -17.200 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.688 -17.666 1.396 1.00 0.00 H new ATOM 270 N GLN A 21 -0.615 -16.222 -2.744 1.00 0.00 N ATOM 271 CA GLN A 21 -1.559 -15.140 -2.520 1.00 0.00 C ATOM 272 C GLN A 21 -1.661 -14.826 -1.026 1.00 0.00 C ATOM 273 O GLN A 21 -1.347 -15.670 -0.187 1.00 0.00 O ATOM 274 CB GLN A 21 -2.931 -15.480 -3.104 1.00 0.00 C ATOM 275 CG GLN A 21 -2.799 -16.055 -4.515 1.00 0.00 C ATOM 276 CD GLN A 21 -4.114 -15.923 -5.287 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.660 -16.884 -5.803 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.589 -14.682 -5.336 1.00 0.00 N ATOM 0 H GLN A 21 -0.812 -17.075 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.192 -14.251 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.436 -16.200 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.552 -14.584 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.005 -15.535 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.510 -17.105 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.081 -13.923 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.462 -14.489 -5.828 1.00 0.00 H new ATOM 287 N VAL A 22 -2.102 -13.610 -0.738 1.00 0.00 N ATOM 288 CA VAL A 22 -2.250 -13.174 0.640 1.00 0.00 C ATOM 289 C VAL A 22 -3.497 -12.297 0.762 1.00 0.00 C ATOM 290 O VAL A 22 -4.157 -12.008 -0.235 1.00 0.00 O ATOM 291 CB VAL A 22 -0.974 -12.468 1.105 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.092 -13.413 1.924 1.00 0.00 C ATOM 293 CG2 VAL A 22 -0.203 -11.890 -0.083 1.00 0.00 C ATOM 0 H VAL A 22 -2.362 -12.913 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.390 -14.031 1.299 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.266 -11.639 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.808 -12.887 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.641 -13.755 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.187 -14.272 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.699 -11.394 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.072 -12.695 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.830 -11.169 -0.607 1.00 0.00 H new ATOM 303 N ASP A 23 -3.782 -11.897 1.993 1.00 0.00 N ATOM 304 CA ASP A 23 -4.939 -11.058 2.258 1.00 0.00 C ATOM 305 C ASP A 23 -4.470 -9.706 2.799 1.00 0.00 C ATOM 306 O ASP A 23 -3.612 -9.649 3.679 1.00 0.00 O ATOM 307 CB ASP A 23 -5.853 -11.696 3.306 1.00 0.00 C ATOM 308 CG ASP A 23 -7.102 -12.378 2.746 1.00 0.00 C ATOM 309 OD1 ASP A 23 -7.791 -11.723 1.934 1.00 0.00 O ATOM 310 OD2 ASP A 23 -7.341 -13.539 3.142 1.00 0.00 O ATOM 0 H ASP A 23 -3.232 -12.138 2.817 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.489 -10.938 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.278 -12.431 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.164 -10.926 4.012 1.00 0.00 H new ATOM 315 N ALA A 24 -5.053 -8.650 2.250 1.00 0.00 N ATOM 316 CA ALA A 24 -4.705 -7.303 2.667 1.00 0.00 C ATOM 317 C ALA A 24 -5.972 -6.446 2.716 1.00 0.00 C ATOM 318 O ALA A 24 -7.062 -6.926 2.411 1.00 0.00 O ATOM 319 CB ALA A 24 -3.650 -6.731 1.718 1.00 0.00 C ATOM 0 H ALA A 24 -5.764 -8.701 1.520 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.273 -7.310 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.389 -5.720 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.760 -7.360 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.049 -6.705 0.704 1.00 0.00 H new ATOM 325 N GLU A 25 -5.785 -5.192 3.101 1.00 0.00 N ATOM 326 CA GLU A 25 -6.899 -4.264 3.193 1.00 0.00 C ATOM 327 C GLU A 25 -6.506 -2.903 2.614 1.00 0.00 C ATOM 328 O GLU A 25 -5.434 -2.381 2.918 1.00 0.00 O ATOM 329 CB GLU A 25 -7.380 -4.126 4.639 1.00 0.00 C ATOM 330 CG GLU A 25 -8.310 -5.279 5.020 1.00 0.00 C ATOM 331 CD GLU A 25 -8.183 -5.618 6.506 1.00 0.00 C ATOM 332 OE1 GLU A 25 -8.918 -4.987 7.297 1.00 0.00 O ATOM 333 OE2 GLU A 25 -7.354 -6.500 6.819 1.00 0.00 O ATOM 0 H GLU A 25 -4.879 -4.797 3.353 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.727 -4.662 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.522 -4.109 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.902 -3.177 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.341 -5.010 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.070 -6.158 4.421 1.00 0.00 H new ATOM 340 N SER A 26 -7.394 -2.367 1.790 1.00 0.00 N ATOM 341 CA SER A 26 -7.153 -1.078 1.166 1.00 0.00 C ATOM 342 C SER A 26 -7.008 0.004 2.238 1.00 0.00 C ATOM 343 O SER A 26 -7.836 0.101 3.142 1.00 0.00 O ATOM 344 CB SER A 26 -8.280 -0.716 0.196 1.00 0.00 C ATOM 345 OG SER A 26 -9.557 -0.737 0.829 1.00 0.00 O ATOM 0 H SER A 26 -8.282 -2.802 1.540 1.00 0.00 H new ATOM 0 HA SER A 26 -6.226 -1.142 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.097 0.275 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.278 -1.416 -0.639 1.00 0.00 H new ATOM 0 HG SER A 26 -10.226 -0.348 0.228 1.00 0.00 H new ATOM 351 N TRP A 27 -5.950 0.790 2.101 1.00 0.00 N ATOM 352 CA TRP A 27 -5.685 1.860 3.047 1.00 0.00 C ATOM 353 C TRP A 27 -5.539 1.238 4.437 1.00 0.00 C ATOM 354 O TRP A 27 -5.947 1.832 5.434 1.00 0.00 O ATOM 355 CB TRP A 27 -6.778 2.930 2.984 1.00 0.00 C ATOM 356 CG TRP A 27 -7.211 3.293 1.562 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.276 2.843 0.884 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.543 4.206 0.666 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.342 3.397 -0.378 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.255 4.252 -0.515 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.375 4.968 0.848 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.880 5.046 -1.605 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.014 5.756 -0.251 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.720 5.813 -1.447 1.00 0.00 C ATOM 0 H TRP A 27 -5.266 0.707 1.349 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.757 2.375 2.797 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.648 2.580 3.540 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.421 3.830 3.485 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.992 2.136 1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.057 3.213 -1.081 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.802 4.947 1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.455 5.066 -2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.125 6.362 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.375 6.446 -2.251 1.00 0.00 H new ATOM 375 N LYS A 28 -4.954 0.049 4.459 1.00 0.00 N ATOM 376 CA LYS A 28 -4.748 -0.661 5.710 1.00 0.00 C ATOM 377 C LYS A 28 -3.375 -1.335 5.689 1.00 0.00 C ATOM 378 O LYS A 28 -2.504 -1.005 6.493 1.00 0.00 O ATOM 379 CB LYS A 28 -5.904 -1.627 5.975 1.00 0.00 C ATOM 380 CG LYS A 28 -6.933 -1.006 6.922 1.00 0.00 C ATOM 381 CD LYS A 28 -7.568 -2.071 7.818 1.00 0.00 C ATOM 382 CE LYS A 28 -7.962 -1.483 9.174 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.069 -1.991 10.239 1.00 0.00 N ATOM 0 H LYS A 28 -4.616 -0.440 3.630 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.748 0.036 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.385 -1.891 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.519 -2.551 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.453 -0.246 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.708 -0.504 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.449 -2.486 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.868 -2.893 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.908 -0.395 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.995 -1.743 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.351 -1.582 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.141 -3.027 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.087 -1.721 10.027 1.00 0.00 H new ATOM 397 N THR A 29 -3.224 -2.269 4.760 1.00 0.00 N ATOM 398 CA THR A 29 -1.972 -2.993 4.624 1.00 0.00 C ATOM 399 C THR A 29 -1.174 -2.458 3.433 1.00 0.00 C ATOM 400 O THR A 29 -1.751 -2.066 2.420 1.00 0.00 O ATOM 401 CB THR A 29 -2.297 -4.484 4.517 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.829 -4.816 5.797 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.042 -5.350 4.399 1.00 0.00 C ATOM 0 H THR A 29 -3.948 -2.540 4.095 1.00 0.00 H new ATOM 0 HA THR A 29 -1.334 -2.847 5.495 1.00 0.00 H new ATOM 0 HB THR A 29 -2.938 -4.654 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.068 -5.766 5.815 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.329 -6.399 4.326 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.485 -5.063 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.416 -5.206 5.280 1.00 0.00 H new ATOM 411 N THR A 30 0.141 -2.460 3.594 1.00 0.00 N ATOM 412 CA THR A 30 1.024 -1.980 2.545 1.00 0.00 C ATOM 413 C THR A 30 1.884 -3.125 2.006 1.00 0.00 C ATOM 414 O THR A 30 1.814 -4.247 2.506 1.00 0.00 O ATOM 415 CB THR A 30 1.844 -0.819 3.111 1.00 0.00 C ATOM 416 OG1 THR A 30 3.045 -1.433 3.570 1.00 0.00 O ATOM 417 CG2 THR A 30 1.222 -0.225 4.377 1.00 0.00 C ATOM 0 H THR A 30 0.616 -2.787 4.435 1.00 0.00 H new ATOM 0 HA THR A 30 0.458 -1.610 1.690 1.00 0.00 H new ATOM 0 HB THR A 30 1.941 -0.041 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.815 -0.895 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.843 0.595 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.223 0.149 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.156 -0.995 5.146 1.00 0.00 H new ATOM 425 N PRO A 31 2.697 -2.794 0.967 1.00 0.00 N ATOM 426 CA PRO A 31 3.569 -3.781 0.355 1.00 0.00 C ATOM 427 C PRO A 31 4.775 -4.077 1.249 1.00 0.00 C ATOM 428 O PRO A 31 5.320 -5.179 1.218 1.00 0.00 O ATOM 429 CB PRO A 31 3.957 -3.185 -0.988 1.00 0.00 C ATOM 430 CG PRO A 31 3.669 -1.696 -0.882 1.00 0.00 C ATOM 431 CD PRO A 31 2.806 -1.475 0.350 1.00 0.00 C ATOM 0 HA PRO A 31 3.082 -4.747 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.010 -3.365 -1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.383 -3.637 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.598 -1.132 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.156 -1.342 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.263 -0.756 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.826 -1.081 0.082 1.00 0.00 H new ATOM 439 N TYR A 32 5.156 -3.073 2.025 1.00 0.00 N ATOM 440 CA TYR A 32 6.288 -3.211 2.926 1.00 0.00 C ATOM 441 C TYR A 32 5.997 -4.244 4.016 1.00 0.00 C ATOM 442 O TYR A 32 6.906 -4.927 4.487 1.00 0.00 O ATOM 443 CB TYR A 32 6.478 -1.840 3.577 1.00 0.00 C ATOM 444 CG TYR A 32 7.853 -1.641 4.218 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.997 -1.836 3.471 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.949 -1.265 5.542 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.291 -1.649 4.074 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.244 -1.078 6.145 1.00 0.00 C ATOM 449 CZ TYR A 32 10.351 -1.279 5.381 1.00 0.00 C ATOM 450 OH TYR A 32 11.573 -1.102 5.951 1.00 0.00 O ATOM 0 H TYR A 32 4.701 -2.160 2.049 1.00 0.00 H new ATOM 0 HA TYR A 32 7.173 -3.542 2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.324 -1.067 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.710 -1.701 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.922 -2.129 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.054 -1.111 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.194 -1.799 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.334 -0.785 7.181 1.00 0.00 H new ATOM 0 HH TYR A 32 11.462 -0.838 6.888 1.00 0.00 H new ATOM 460 N GLN A 33 4.728 -4.327 4.385 1.00 0.00 N ATOM 461 CA GLN A 33 4.306 -5.266 5.411 1.00 0.00 C ATOM 462 C GLN A 33 4.214 -6.679 4.832 1.00 0.00 C ATOM 463 O GLN A 33 4.868 -7.598 5.322 1.00 0.00 O ATOM 464 CB GLN A 33 2.974 -4.839 6.031 1.00 0.00 C ATOM 465 CG GLN A 33 3.196 -3.883 7.204 1.00 0.00 C ATOM 466 CD GLN A 33 1.874 -3.269 7.669 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.028 -3.923 8.256 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.744 -1.978 7.375 1.00 0.00 N ATOM 0 H GLN A 33 3.977 -3.759 3.992 1.00 0.00 H new ATOM 0 HA GLN A 33 5.054 -5.268 6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.356 -4.355 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.429 -5.719 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.663 -4.418 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.884 -3.092 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.491 -1.490 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.897 -1.477 7.643 1.00 0.00 H new ATOM 477 N ILE A 34 3.397 -6.808 3.797 1.00 0.00 N ATOM 478 CA ILE A 34 3.210 -8.093 3.146 1.00 0.00 C ATOM 479 C ILE A 34 4.559 -8.809 3.046 1.00 0.00 C ATOM 480 O ILE A 34 4.684 -9.964 3.452 1.00 0.00 O ATOM 481 CB ILE A 34 2.508 -7.914 1.799 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.132 -7.270 1.979 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.424 -9.243 1.044 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.100 -7.909 1.048 1.00 0.00 C ATOM 0 H ILE A 34 2.857 -6.043 3.393 1.00 0.00 H new ATOM 0 HA ILE A 34 2.553 -8.729 3.739 1.00 0.00 H new ATOM 0 HB ILE A 34 3.105 -7.234 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.809 -7.378 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.198 -6.201 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.921 -9.088 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.429 -9.625 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.862 -9.964 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.869 -7.432 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.414 -7.778 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.019 -8.973 1.270 1.00 0.00 H new ATOM 663 N ILE A 48 11.818 -1.502 -4.339 1.00 0.00 N ATOM 664 CA ILE A 48 10.539 -0.870 -4.612 1.00 0.00 C ATOM 665 C ILE A 48 9.493 -1.949 -4.900 1.00 0.00 C ATOM 666 O ILE A 48 9.765 -2.904 -5.625 1.00 0.00 O ATOM 667 CB ILE A 48 10.680 0.163 -5.732 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.231 1.485 -5.192 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.355 0.354 -6.473 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.336 2.039 -4.082 1.00 0.00 C ATOM 0 HA ILE A 48 10.194 -0.315 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 48 11.401 -0.215 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.240 1.333 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.304 2.211 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.484 1.093 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.043 -0.594 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.594 0.699 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.750 2.978 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.334 2.213 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.285 1.321 -3.263 1.00 0.00 H new ATOM 682 N ALA A 49 8.318 -1.759 -4.316 1.00 0.00 N ATOM 683 CA ALA A 49 7.230 -2.705 -4.501 1.00 0.00 C ATOM 684 C ALA A 49 6.279 -2.177 -5.577 1.00 0.00 C ATOM 685 O ALA A 49 5.984 -0.984 -5.619 1.00 0.00 O ATOM 686 CB ALA A 49 6.525 -2.939 -3.163 1.00 0.00 C ATOM 0 H ALA A 49 8.096 -0.965 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 49 7.611 -3.668 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.709 -3.648 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.237 -3.341 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.126 -1.995 -2.792 1.00 0.00 H new ATOM 692 N LYS A 50 5.825 -3.092 -6.420 1.00 0.00 N ATOM 693 CA LYS A 50 4.914 -2.734 -7.494 1.00 0.00 C ATOM 694 C LYS A 50 3.485 -3.105 -7.088 1.00 0.00 C ATOM 695 O LYS A 50 3.271 -4.096 -6.392 1.00 0.00 O ATOM 696 CB LYS A 50 5.362 -3.368 -8.812 1.00 0.00 C ATOM 697 CG LYS A 50 6.481 -2.550 -9.461 1.00 0.00 C ATOM 698 CD LYS A 50 6.893 -3.153 -10.805 1.00 0.00 C ATOM 699 CE LYS A 50 7.662 -2.136 -11.650 1.00 0.00 C ATOM 700 NZ LYS A 50 9.074 -2.555 -11.806 1.00 0.00 N ATOM 0 H LYS A 50 6.071 -4.081 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 50 4.930 -1.657 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.708 -4.386 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.514 -3.436 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.148 -1.522 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.343 -2.514 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.512 -4.034 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.007 -3.484 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.194 -2.040 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.618 -1.154 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.699 -1.742 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.290 -3.309 -11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.226 -2.909 -12.772 1.00 0.00 H new ATOM 714 N VAL A 51 2.545 -2.288 -7.542 1.00 0.00 N ATOM 715 CA VAL A 51 1.144 -2.517 -7.235 1.00 0.00 C ATOM 716 C VAL A 51 0.322 -2.423 -8.522 1.00 0.00 C ATOM 717 O VAL A 51 -0.035 -1.329 -8.956 1.00 0.00 O ATOM 718 CB VAL A 51 0.677 -1.539 -6.155 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.848 -1.534 -6.041 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.327 -1.859 -4.808 1.00 0.00 C ATOM 0 H VAL A 51 2.727 -1.467 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 51 1.001 -3.519 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 51 0.993 -0.538 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.153 -0.830 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.283 -1.235 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.197 -2.533 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.978 -1.149 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.056 -2.870 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.411 -1.786 -4.900 1.00 0.00 H new ATOM 730 N ASN A 52 0.047 -3.584 -9.097 1.00 0.00 N ATOM 731 CA ASN A 52 -0.726 -3.646 -10.326 1.00 0.00 C ATOM 732 C ASN A 52 0.199 -3.391 -11.518 1.00 0.00 C ATOM 733 O ASN A 52 -0.252 -2.955 -12.576 1.00 0.00 O ATOM 734 CB ASN A 52 -1.823 -2.580 -10.342 1.00 0.00 C ATOM 735 CG ASN A 52 -3.087 -3.104 -11.027 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.411 -2.745 -12.147 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.780 -3.970 -10.293 1.00 0.00 N ATOM 0 H ASN A 52 0.346 -4.490 -8.735 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.183 -4.634 -10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.057 -2.278 -9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.465 -1.692 -10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.640 -4.377 -10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.452 -4.227 -9.362 1.00 0.00 H new ATOM 744 N ASN A 53 1.476 -3.674 -11.307 1.00 0.00 N ATOM 745 CA ASN A 53 2.468 -3.480 -12.351 1.00 0.00 C ATOM 746 C ASN A 53 2.895 -2.011 -12.377 1.00 0.00 C ATOM 747 O ASN A 53 3.438 -1.536 -13.373 1.00 0.00 O ATOM 748 CB ASN A 53 1.896 -3.830 -13.726 1.00 0.00 C ATOM 749 CG ASN A 53 2.952 -4.509 -14.602 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.788 -5.266 -14.137 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.866 -4.196 -15.892 1.00 0.00 N ATOM 0 H ASN A 53 1.847 -4.036 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 53 3.315 -4.131 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.036 -4.490 -13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.539 -2.925 -14.217 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.525 -4.597 -16.559 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.141 -3.555 -16.214 1.00 0.00 H new ATOM 758 N VAL A 54 2.633 -1.332 -11.269 1.00 0.00 N ATOM 759 CA VAL A 54 2.983 0.073 -11.152 1.00 0.00 C ATOM 760 C VAL A 54 3.719 0.303 -9.831 1.00 0.00 C ATOM 761 O VAL A 54 3.282 -0.168 -8.783 1.00 0.00 O ATOM 762 CB VAL A 54 1.729 0.939 -11.297 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.626 0.185 -12.042 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.237 1.423 -9.931 1.00 0.00 C ATOM 0 H VAL A 54 2.182 -1.729 -10.445 1.00 0.00 H new ATOM 0 HA VAL A 54 3.659 0.366 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 54 1.993 1.816 -11.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.254 0.822 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.979 -0.088 -13.036 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.365 -0.718 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.345 2.036 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.998 0.563 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.017 2.015 -9.452 1.00 0.00 H new ATOM 774 N VAL A 55 4.825 1.027 -9.925 1.00 0.00 N ATOM 775 CA VAL A 55 5.626 1.325 -8.750 1.00 0.00 C ATOM 776 C VAL A 55 4.707 1.775 -7.612 1.00 0.00 C ATOM 777 O VAL A 55 3.792 2.569 -7.825 1.00 0.00 O ATOM 778 CB VAL A 55 6.699 2.359 -9.096 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.269 3.003 -7.831 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.811 1.734 -9.941 1.00 0.00 C ATOM 0 H VAL A 55 5.185 1.416 -10.797 1.00 0.00 H new ATOM 0 HA VAL A 55 6.152 0.433 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 55 6.228 3.144 -9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.030 3.734 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.468 3.501 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.716 2.234 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.561 2.491 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.277 0.920 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.389 1.345 -10.868 1.00 0.00 H new ATOM 790 N TRP A 56 4.983 1.248 -6.428 1.00 0.00 N ATOM 791 CA TRP A 56 4.193 1.586 -5.256 1.00 0.00 C ATOM 792 C TRP A 56 5.145 1.719 -4.066 1.00 0.00 C ATOM 793 O TRP A 56 5.899 0.796 -3.764 1.00 0.00 O ATOM 794 CB TRP A 56 3.087 0.554 -5.025 1.00 0.00 C ATOM 795 CG TRP A 56 1.811 1.136 -4.412 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.493 1.240 -3.114 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.689 1.693 -5.128 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.253 1.821 -2.942 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.251 2.105 -4.206 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.476 1.843 -6.510 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.469 2.694 -4.565 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.747 2.434 -6.852 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.704 2.854 -5.936 1.00 0.00 C ATOM 0 H TRP A 56 5.743 0.590 -6.255 1.00 0.00 H new ATOM 0 HA TRP A 56 3.679 2.537 -5.398 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.839 0.083 -5.976 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.467 -0.231 -4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.127 0.911 -2.304 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.208 2.008 -2.052 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.198 1.528 -7.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.189 3.008 -3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.961 2.573 -7.901 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.625 3.302 -6.280 1.00 0.00 H new ATOM 814 N ASP A 57 5.078 2.875 -3.422 1.00 0.00 N ATOM 815 CA ASP A 57 5.925 3.140 -2.272 1.00 0.00 C ATOM 816 C ASP A 57 5.646 2.098 -1.187 1.00 0.00 C ATOM 817 O ASP A 57 4.502 1.689 -0.994 1.00 0.00 O ATOM 818 CB ASP A 57 5.637 4.523 -1.684 1.00 0.00 C ATOM 819 CG ASP A 57 6.170 5.699 -2.505 1.00 0.00 C ATOM 820 OD1 ASP A 57 7.383 5.676 -2.808 1.00 0.00 O ATOM 821 OD2 ASP A 57 5.353 6.594 -2.811 1.00 0.00 O ATOM 0 H ASP A 57 4.450 3.638 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 57 6.963 3.096 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.559 4.636 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.068 4.573 -0.684 1.00 0.00 H new ATOM 826 N LEU A 58 6.711 1.698 -0.508 1.00 0.00 N ATOM 827 CA LEU A 58 6.595 0.711 0.552 1.00 0.00 C ATOM 828 C LEU A 58 5.789 1.304 1.710 1.00 0.00 C ATOM 829 O LEU A 58 4.976 0.614 2.323 1.00 0.00 O ATOM 830 CB LEU A 58 7.978 0.202 0.964 1.00 0.00 C ATOM 831 CG LEU A 58 8.906 -0.214 -0.179 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.369 -0.198 0.270 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.497 -1.573 -0.751 1.00 0.00 C ATOM 0 H LEU A 58 7.658 2.039 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 58 6.050 -0.164 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.473 0.982 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.846 -0.652 1.628 1.00 0.00 H new ATOM 0 HG LEU A 58 8.807 0.516 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.008 -0.498 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.640 0.808 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.503 -0.893 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.173 -1.845 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.549 -2.328 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.478 -1.515 -1.132 1.00 0.00 H new ATOM 845 N ASP A 59 6.042 2.578 1.973 1.00 0.00 N ATOM 846 CA ASP A 59 5.350 3.272 3.046 1.00 0.00 C ATOM 847 C ASP A 59 4.021 3.818 2.521 1.00 0.00 C ATOM 848 O ASP A 59 3.703 4.989 2.723 1.00 0.00 O ATOM 849 CB ASP A 59 6.175 4.453 3.561 1.00 0.00 C ATOM 850 CG ASP A 59 5.975 4.785 5.041 1.00 0.00 C ATOM 851 OD1 ASP A 59 4.805 4.741 5.479 1.00 0.00 O ATOM 852 OD2 ASP A 59 6.996 5.076 5.700 1.00 0.00 O ATOM 0 H ASP A 59 6.716 3.147 1.462 1.00 0.00 H new ATOM 0 HA ASP A 59 5.190 2.562 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.231 4.241 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.928 5.335 2.970 1.00 0.00 H new ATOM 857 N ARG A 60 3.280 2.943 1.856 1.00 0.00 N ATOM 858 CA ARG A 60 1.992 3.323 1.300 1.00 0.00 C ATOM 859 C ARG A 60 1.092 2.094 1.158 1.00 0.00 C ATOM 860 O ARG A 60 1.487 1.097 0.555 1.00 0.00 O ATOM 861 CB ARG A 60 2.157 3.986 -0.069 1.00 0.00 C ATOM 862 CG ARG A 60 0.848 4.631 -0.527 1.00 0.00 C ATOM 863 CD ARG A 60 1.112 5.760 -1.525 1.00 0.00 C ATOM 864 NE ARG A 60 0.327 6.958 -1.153 1.00 0.00 N ATOM 865 CZ ARG A 60 0.508 8.172 -1.691 1.00 0.00 C ATOM 866 NH1 ARG A 60 1.448 8.356 -2.628 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.251 9.202 -1.292 1.00 0.00 N ATOM 0 H ARG A 60 3.547 1.973 1.690 1.00 0.00 H new ATOM 0 HA ARG A 60 1.533 4.037 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.941 4.742 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.476 3.244 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.208 3.877 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.310 5.023 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.175 6.002 -1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.844 5.437 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.397 6.853 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.026 7.572 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.586 9.280 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.967 9.062 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.113 10.126 -1.702 1.00 0.00 H new ATOM 881 N PRO A 61 -0.133 2.208 1.739 1.00 0.00 N ATOM 882 CA PRO A 61 -1.092 1.118 1.683 1.00 0.00 C ATOM 883 C PRO A 61 -1.723 1.014 0.293 1.00 0.00 C ATOM 884 O PRO A 61 -1.915 2.023 -0.383 1.00 0.00 O ATOM 885 CB PRO A 61 -2.105 1.429 2.773 1.00 0.00 C ATOM 886 CG PRO A 61 -1.940 2.908 3.085 1.00 0.00 C ATOM 887 CD PRO A 61 -0.634 3.373 2.461 1.00 0.00 C ATOM 0 HA PRO A 61 -0.632 0.144 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.119 1.211 2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.925 0.820 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.778 3.478 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.928 3.072 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.794 4.216 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.074 3.702 3.222 1.00 0.00 H new ATOM 895 N LEU A 62 -2.027 -0.217 -0.093 1.00 0.00 N ATOM 896 CA LEU A 62 -2.632 -0.467 -1.390 1.00 0.00 C ATOM 897 C LEU A 62 -3.999 0.217 -1.450 1.00 0.00 C ATOM 898 O LEU A 62 -4.458 0.784 -0.460 1.00 0.00 O ATOM 899 CB LEU A 62 -2.681 -1.968 -1.678 1.00 0.00 C ATOM 900 CG LEU A 62 -1.414 -2.758 -1.343 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.165 -1.897 -1.538 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.491 -3.346 0.067 1.00 0.00 C ATOM 0 H LEU A 62 -1.865 -1.052 0.470 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.024 -0.034 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.512 -2.398 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.903 -2.108 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.340 -3.596 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.722 -2.482 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.108 -1.568 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.217 -1.027 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.578 -3.902 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.602 -2.540 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.348 -4.016 0.136 1.00 0.00 H new ATOM 914 N GLU A 63 -4.612 0.140 -2.622 1.00 0.00 N ATOM 915 CA GLU A 63 -5.918 0.745 -2.825 1.00 0.00 C ATOM 916 C GLU A 63 -6.984 -0.340 -2.998 1.00 0.00 C ATOM 917 O GLU A 63 -8.126 -0.166 -2.575 1.00 0.00 O ATOM 918 CB GLU A 63 -5.903 1.694 -4.024 1.00 0.00 C ATOM 919 CG GLU A 63 -5.250 3.029 -3.658 1.00 0.00 C ATOM 920 CD GLU A 63 -5.550 4.094 -4.715 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.703 4.105 -5.199 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.620 4.872 -5.017 1.00 0.00 O ATOM 0 H GLU A 63 -4.229 -0.332 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.165 1.333 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.360 1.234 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.923 1.866 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.615 3.362 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.172 2.897 -3.565 1.00 0.00 H new ATOM 929 N GLU A 64 -6.572 -1.435 -3.619 1.00 0.00 N ATOM 930 CA GLU A 64 -7.477 -2.547 -3.853 1.00 0.00 C ATOM 931 C GLU A 64 -6.705 -3.758 -4.383 1.00 0.00 C ATOM 932 O GLU A 64 -5.509 -3.664 -4.656 1.00 0.00 O ATOM 933 CB GLU A 64 -8.599 -2.149 -4.815 1.00 0.00 C ATOM 934 CG GLU A 64 -8.032 -1.701 -6.163 1.00 0.00 C ATOM 935 CD GLU A 64 -9.120 -1.069 -7.033 1.00 0.00 C ATOM 936 OE1 GLU A 64 -10.209 -1.679 -7.112 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.839 0.009 -7.599 1.00 0.00 O ATOM 0 H GLU A 64 -5.624 -1.576 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.937 -2.821 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.273 -2.993 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.188 -1.343 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.227 -0.984 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.598 -2.556 -6.681 1.00 0.00 H new ATOM 944 N ASP A 65 -7.420 -4.865 -4.513 1.00 0.00 N ATOM 945 CA ASP A 65 -6.817 -6.092 -5.005 1.00 0.00 C ATOM 946 C ASP A 65 -5.864 -5.761 -6.154 1.00 0.00 C ATOM 947 O ASP A 65 -6.281 -5.215 -7.174 1.00 0.00 O ATOM 948 CB ASP A 65 -7.881 -7.055 -5.535 1.00 0.00 C ATOM 949 CG ASP A 65 -9.004 -6.398 -6.341 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.725 -5.337 -6.941 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.114 -6.971 -6.340 1.00 0.00 O ATOM 0 H ASP A 65 -8.412 -4.938 -4.286 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.286 -6.562 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.394 -7.802 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.322 -7.585 -4.691 1.00 0.00 H new ATOM 956 N CYS A 66 -4.601 -6.106 -5.951 1.00 0.00 N ATOM 957 CA CYS A 66 -3.584 -5.853 -6.958 1.00 0.00 C ATOM 958 C CYS A 66 -2.477 -6.896 -6.797 1.00 0.00 C ATOM 959 O CYS A 66 -2.578 -7.789 -5.957 1.00 0.00 O ATOM 960 CB CYS A 66 -3.041 -4.425 -6.866 1.00 0.00 C ATOM 961 SG CYS A 66 -2.231 -4.167 -5.245 1.00 0.00 S ATOM 0 H CYS A 66 -4.258 -6.559 -5.104 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.023 -5.942 -7.952 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.328 -4.246 -7.671 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.853 -3.709 -6.994 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.941 -4.129 -5.405 1.00 0.00 H new ATOM 967 N THR A 67 -1.447 -6.750 -7.617 1.00 0.00 N ATOM 968 CA THR A 67 -0.322 -7.669 -7.576 1.00 0.00 C ATOM 969 C THR A 67 0.872 -7.020 -6.874 1.00 0.00 C ATOM 970 O THR A 67 1.123 -5.828 -7.042 1.00 0.00 O ATOM 971 CB THR A 67 -0.018 -8.109 -9.010 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.180 -6.921 -9.779 1.00 0.00 O ATOM 973 CG2 THR A 67 -1.079 -9.061 -9.567 1.00 0.00 C ATOM 0 H THR A 67 -1.368 -6.009 -8.314 1.00 0.00 H new ATOM 0 HA THR A 67 -0.559 -8.558 -6.991 1.00 0.00 H new ATOM 0 HB THR A 67 0.958 -8.594 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.000 -7.115 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.816 -9.343 -10.587 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.129 -9.955 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.049 -8.565 -9.567 1.00 0.00 H new ATOM 981 N LEU A 68 1.577 -7.834 -6.101 1.00 0.00 N ATOM 982 CA LEU A 68 2.739 -7.353 -5.373 1.00 0.00 C ATOM 983 C LEU A 68 4.008 -7.916 -6.017 1.00 0.00 C ATOM 984 O LEU A 68 4.037 -9.073 -6.431 1.00 0.00 O ATOM 985 CB LEU A 68 2.610 -7.678 -3.883 1.00 0.00 C ATOM 986 CG LEU A 68 3.744 -7.178 -2.986 1.00 0.00 C ATOM 987 CD1 LEU A 68 3.900 -5.660 -3.094 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.540 -7.632 -1.540 1.00 0.00 C ATOM 0 H LEU A 68 1.366 -8.822 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 68 2.804 -6.267 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.673 -7.256 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.536 -8.760 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 68 4.676 -7.623 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.713 -5.331 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.126 -5.390 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.973 -5.176 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.360 -7.263 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.597 -7.236 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.518 -8.721 -1.500 1.00 0.00 H new ATOM 1000 N GLU A 69 5.025 -7.069 -6.081 1.00 0.00 N ATOM 1001 CA GLU A 69 6.294 -7.467 -6.668 1.00 0.00 C ATOM 1002 C GLU A 69 7.434 -6.631 -6.084 1.00 0.00 C ATOM 1003 O GLU A 69 7.555 -5.444 -6.384 1.00 0.00 O ATOM 1004 CB GLU A 69 6.253 -7.350 -8.193 1.00 0.00 C ATOM 1005 CG GLU A 69 7.632 -7.615 -8.800 1.00 0.00 C ATOM 1006 CD GLU A 69 7.628 -8.901 -9.631 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.621 -9.982 -9.003 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.631 -8.773 -10.874 1.00 0.00 O ATOM 0 H GLU A 69 4.996 -6.109 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 69 6.474 -8.513 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.531 -8.060 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.912 -6.354 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.925 -6.773 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.374 -7.694 -8.005 1.00 0.00 H new ATOM 1015 N LEU A 70 8.242 -7.284 -5.261 1.00 0.00 N ATOM 1016 CA LEU A 70 9.369 -6.615 -4.633 1.00 0.00 C ATOM 1017 C LEU A 70 10.549 -6.590 -5.606 1.00 0.00 C ATOM 1018 O LEU A 70 10.975 -7.634 -6.098 1.00 0.00 O ATOM 1019 CB LEU A 70 9.695 -7.266 -3.287 1.00 0.00 C ATOM 1020 CG LEU A 70 8.640 -7.106 -2.191 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.993 -5.721 -2.251 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.602 -8.228 -2.261 1.00 0.00 C ATOM 0 H LEU A 70 8.139 -8.268 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 70 9.120 -5.578 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.860 -8.331 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.634 -6.850 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 70 9.137 -7.187 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.247 -5.633 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.757 -4.956 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.513 -5.585 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.864 -8.090 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.105 -8.204 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.097 -9.190 -2.131 1.00 0.00 H new ATOM 1034 N LEU A 71 11.045 -5.387 -5.854 1.00 0.00 N ATOM 1035 CA LEU A 71 12.167 -5.212 -6.760 1.00 0.00 C ATOM 1036 C LEU A 71 13.474 -5.395 -5.986 1.00 0.00 C ATOM 1037 O LEU A 71 13.595 -4.944 -4.848 1.00 0.00 O ATOM 1038 CB LEU A 71 12.066 -3.869 -7.486 1.00 0.00 C ATOM 1039 CG LEU A 71 11.024 -3.788 -8.604 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.775 -4.598 -8.249 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.688 -2.333 -8.936 1.00 0.00 C ATOM 0 H LEU A 71 10.690 -4.524 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 71 12.148 -5.972 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.841 -3.097 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.043 -3.632 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 71 11.452 -4.233 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.050 -4.524 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.049 -5.643 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.335 -4.205 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.945 -2.304 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.288 -1.841 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.591 -1.816 -9.262 1.00 0.00 H new