USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 540 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 ASN : amide:sc= 0.356 K(o=0.46,f=-0.95!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.105 K(o=0.46,f=-0.68) USER MOD Set 3.1: A 56 THR OG1 : rot -170:sc= 0.434 USER MOD Set 3.2: A 59 THR OG1 : rot 118:sc= 0.491 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00904) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0016 (180deg=-0.231) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000778) USER MOD Single : A 9 ASN : amide:sc= 0.872 K(o=0.87,f=-0.037) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.2 K(o=1.2,f=-0.037) USER MOD Single : A 61 SER OG : rot 26:sc= 0.0794 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.656 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -1.740 -53.367 -11.121 1.00 0.00 N ATOM 77 CA MET A 1 -2.040 -51.973 -10.746 1.00 0.00 C ATOM 78 C MET A 1 -1.009 -51.403 -9.748 1.00 0.00 C ATOM 79 O MET A 1 -1.334 -51.087 -8.602 1.00 0.00 O ATOM 80 CB MET A 1 -3.485 -51.877 -10.215 1.00 0.00 C ATOM 81 CG MET A 1 -4.539 -52.212 -11.281 1.00 0.00 C ATOM 82 SD MET A 1 -6.264 -51.995 -10.754 1.00 0.00 S ATOM 83 CE MET A 1 -6.438 -53.387 -9.601 1.00 0.00 C ATOM 0 H1 MET A 1 -2.302 -53.631 -11.956 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.728 -53.457 -11.342 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.979 -53.998 -10.330 1.00 0.00 H new ATOM 0 HA MET A 1 -1.961 -51.351 -11.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.602 -52.556 -9.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.663 -50.869 -9.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.361 -51.586 -12.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.399 -53.246 -11.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.462 -53.426 -9.229 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.204 -54.318 -10.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.753 -53.254 -8.764 1.00 0.00 H new ATOM 93 N ASP A 2 0.247 -51.263 -10.186 1.00 0.00 N ATOM 94 CA ASP A 2 1.354 -50.676 -9.407 1.00 0.00 C ATOM 95 C ASP A 2 2.097 -49.567 -10.196 1.00 0.00 C ATOM 96 O ASP A 2 3.211 -49.786 -10.685 1.00 0.00 O ATOM 97 CB ASP A 2 2.298 -51.791 -8.920 1.00 0.00 C ATOM 98 CG ASP A 2 1.696 -52.595 -7.755 1.00 0.00 C ATOM 99 OD1 ASP A 2 1.295 -53.766 -7.956 1.00 0.00 O ATOM 100 OD2 ASP A 2 1.658 -52.066 -6.616 1.00 0.00 O ATOM 0 H ASP A 2 0.534 -51.562 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 2 0.938 -50.181 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.519 -52.465 -9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.244 -51.351 -8.605 1.00 0.00 H new ATOM 105 N PRO A 3 1.507 -48.359 -10.339 1.00 0.00 N ATOM 106 CA PRO A 3 2.109 -47.231 -11.067 1.00 0.00 C ATOM 107 C PRO A 3 3.184 -46.458 -10.288 1.00 0.00 C ATOM 108 O PRO A 3 3.822 -45.557 -10.837 1.00 0.00 O ATOM 109 CB PRO A 3 0.922 -46.344 -11.449 1.00 0.00 C ATOM 110 CG PRO A 3 -0.041 -46.538 -10.277 1.00 0.00 C ATOM 111 CD PRO A 3 0.156 -48.008 -9.909 1.00 0.00 C ATOM 0 HA PRO A 3 2.666 -47.594 -11.931 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.217 -45.301 -11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.475 -46.652 -12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.199 -45.878 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.072 -46.328 -10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.037 -48.160 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.585 -48.636 -10.404 1.00 0.00 H new ATOM 119 N LEU A 4 3.409 -46.823 -9.026 1.00 0.00 N ATOM 120 CA LEU A 4 4.345 -46.186 -8.091 1.00 0.00 C ATOM 121 C LEU A 4 5.580 -47.069 -7.811 1.00 0.00 C ATOM 122 O LEU A 4 6.041 -47.181 -6.677 1.00 0.00 O ATOM 123 CB LEU A 4 3.589 -45.742 -6.820 1.00 0.00 C ATOM 124 CG LEU A 4 2.467 -44.711 -7.045 1.00 0.00 C ATOM 125 CD1 LEU A 4 1.785 -44.409 -5.710 1.00 0.00 C ATOM 126 CD2 LEU A 4 2.981 -43.391 -7.626 1.00 0.00 C ATOM 0 H LEU A 4 2.919 -47.612 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 4 4.754 -45.287 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.159 -46.625 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.309 -45.323 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 4 1.773 -45.149 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.990 -43.680 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.361 -45.327 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.517 -44.005 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.146 -42.704 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.705 -42.950 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.458 -43.578 -8.588 1.00 0.00 H new ATOM 138 N ASP A 5 6.120 -47.710 -8.851 1.00 0.00 N ATOM 139 CA ASP A 5 7.325 -48.560 -8.769 1.00 0.00 C ATOM 140 C ASP A 5 8.588 -47.939 -9.396 1.00 0.00 C ATOM 141 O ASP A 5 9.677 -48.516 -9.334 1.00 0.00 O ATOM 142 CB ASP A 5 6.998 -49.913 -9.417 1.00 0.00 C ATOM 143 CG ASP A 5 8.027 -51.015 -9.093 1.00 0.00 C ATOM 144 OD1 ASP A 5 8.250 -51.313 -7.894 1.00 0.00 O ATOM 145 OD2 ASP A 5 8.584 -51.622 -10.041 1.00 0.00 O ATOM 0 H ASP A 5 5.730 -47.656 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 5 7.574 -48.676 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.012 -50.238 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.943 -49.785 -10.498 1.00 0.00 H new ATOM 150 N LYS A 6 8.433 -46.769 -10.026 1.00 0.00 N ATOM 151 CA LYS A 6 9.405 -46.205 -10.987 1.00 0.00 C ATOM 152 C LYS A 6 10.044 -44.906 -10.498 1.00 0.00 C ATOM 153 O LYS A 6 11.265 -44.813 -10.371 1.00 0.00 O ATOM 154 CB LYS A 6 8.778 -46.011 -12.387 1.00 0.00 C ATOM 155 CG LYS A 6 7.920 -47.195 -12.866 1.00 0.00 C ATOM 156 CD LYS A 6 6.407 -46.977 -12.672 1.00 0.00 C ATOM 157 CE LYS A 6 5.791 -45.917 -13.602 1.00 0.00 C ATOM 158 NZ LYS A 6 5.772 -46.348 -15.028 1.00 0.00 N ATOM 0 H LYS A 6 7.617 -46.173 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 6 10.204 -46.942 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.162 -45.112 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.576 -45.840 -13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.120 -47.375 -13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.222 -48.093 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.893 -47.925 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.224 -46.685 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.773 -45.702 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.356 -44.989 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.332 -45.606 -15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.746 -46.512 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.225 -47.228 -15.118 1.00 0.00 H new ATOM 172 N ILE A 7 9.191 -43.915 -10.226 1.00 0.00 N ATOM 173 CA ILE A 7 9.540 -42.535 -9.841 1.00 0.00 C ATOM 174 C ILE A 7 8.807 -42.069 -8.569 1.00 0.00 C ATOM 175 O ILE A 7 8.762 -40.872 -8.285 1.00 0.00 O ATOM 176 CB ILE A 7 9.361 -41.567 -11.042 1.00 0.00 C ATOM 177 CG1 ILE A 7 7.984 -41.629 -11.745 1.00 0.00 C ATOM 178 CG2 ILE A 7 10.452 -41.842 -12.092 1.00 0.00 C ATOM 179 CD1 ILE A 7 6.787 -41.197 -10.889 1.00 0.00 C ATOM 0 H ILE A 7 8.182 -44.056 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 7 10.597 -42.522 -9.575 1.00 0.00 H new ATOM 0 HB ILE A 7 9.439 -40.569 -10.611 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.020 -40.998 -12.633 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.815 -42.650 -12.086 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.326 -41.162 -12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.434 -41.688 -11.645 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.370 -42.871 -12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.872 -41.278 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.714 -41.842 -10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.923 -40.164 -10.569 1.00 0.00 H new ATOM 191 N ILE A 8 8.223 -43.013 -7.814 1.00 0.00 N ATOM 192 CA ILE A 8 7.527 -42.775 -6.531 1.00 0.00 C ATOM 193 C ILE A 8 8.277 -41.765 -5.629 1.00 0.00 C ATOM 194 O ILE A 8 9.458 -41.941 -5.315 1.00 0.00 O ATOM 195 CB ILE A 8 7.255 -44.110 -5.790 1.00 0.00 C ATOM 196 CG1 ILE A 8 6.346 -43.861 -4.559 1.00 0.00 C ATOM 197 CG2 ILE A 8 8.539 -44.874 -5.413 1.00 0.00 C ATOM 198 CD1 ILE A 8 6.022 -45.100 -3.712 1.00 0.00 C ATOM 0 H ILE A 8 8.220 -43.996 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 8 6.566 -42.320 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 8 6.730 -44.763 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.826 -43.121 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.409 -43.424 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.275 -45.798 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.100 -45.110 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.151 -44.255 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.381 -44.813 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.508 -45.838 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.947 -45.530 -3.328 1.00 0.00 H new ATOM 210 N ASN A 9 7.587 -40.696 -5.219 1.00 0.00 N ATOM 211 CA ASN A 9 8.170 -39.585 -4.444 1.00 0.00 C ATOM 212 C ASN A 9 7.168 -38.950 -3.450 1.00 0.00 C ATOM 213 O ASN A 9 7.248 -37.764 -3.133 1.00 0.00 O ATOM 214 CB ASN A 9 8.804 -38.579 -5.432 1.00 0.00 C ATOM 215 CG ASN A 9 9.974 -37.797 -4.846 1.00 0.00 C ATOM 216 OD1 ASN A 9 11.123 -37.967 -5.231 1.00 0.00 O ATOM 217 ND2 ASN A 9 9.733 -36.916 -3.903 1.00 0.00 N ATOM 0 H ASN A 9 6.594 -40.572 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 9 8.957 -39.968 -3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.145 -39.118 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.039 -37.877 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.500 -36.380 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.778 -36.767 -3.576 1.00 0.00 H new ATOM 224 N ASP A 10 6.215 -39.733 -2.940 1.00 0.00 N ATOM 225 CA ASP A 10 5.183 -39.266 -1.994 1.00 0.00 C ATOM 226 C ASP A 10 5.412 -39.746 -0.545 1.00 0.00 C ATOM 227 O ASP A 10 4.542 -39.629 0.322 1.00 0.00 O ATOM 228 CB ASP A 10 3.796 -39.623 -2.543 1.00 0.00 C ATOM 229 CG ASP A 10 3.505 -38.927 -3.883 1.00 0.00 C ATOM 230 OD1 ASP A 10 3.041 -37.761 -3.871 1.00 0.00 O ATOM 231 OD2 ASP A 10 3.728 -39.546 -4.952 1.00 0.00 O ATOM 0 H ASP A 10 6.132 -40.723 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 10 5.254 -38.181 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.726 -40.703 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.035 -39.340 -1.816 1.00 0.00 H new ATOM 236 N ILE A 11 6.602 -40.295 -0.295 1.00 0.00 N ATOM 237 CA ILE A 11 7.034 -40.916 0.973 1.00 0.00 C ATOM 238 C ILE A 11 8.554 -40.775 1.191 1.00 0.00 C ATOM 239 O ILE A 11 9.229 -41.683 1.685 1.00 0.00 O ATOM 240 CB ILE A 11 6.468 -42.361 1.052 1.00 0.00 C ATOM 241 CG1 ILE A 11 6.513 -42.925 2.492 1.00 0.00 C ATOM 242 CG2 ILE A 11 7.109 -43.308 0.016 1.00 0.00 C ATOM 243 CD1 ILE A 11 5.636 -44.168 2.691 1.00 0.00 C ATOM 0 H ILE A 11 7.334 -40.323 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 11 6.614 -40.382 1.825 1.00 0.00 H new ATOM 0 HB ILE A 11 5.414 -42.298 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.544 -43.174 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.193 -42.149 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.676 -44.303 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.920 -42.930 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.184 -43.361 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.717 -44.509 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.598 -43.920 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.970 -44.960 2.021 1.00 0.00 H new ATOM 255 N LYS A 12 9.118 -39.626 0.783 1.00 0.00 N ATOM 256 CA LYS A 12 10.572 -39.370 0.846 1.00 0.00 C ATOM 257 C LYS A 12 10.972 -37.975 1.350 1.00 0.00 C ATOM 258 O LYS A 12 11.961 -37.853 2.075 1.00 0.00 O ATOM 259 CB LYS A 12 11.192 -39.665 -0.539 1.00 0.00 C ATOM 260 CG LYS A 12 12.581 -40.326 -0.461 1.00 0.00 C ATOM 261 CD LYS A 12 12.578 -41.766 0.084 1.00 0.00 C ATOM 262 CE LYS A 12 11.760 -42.723 -0.799 1.00 0.00 C ATOM 263 NZ LYS A 12 11.706 -44.093 -0.219 1.00 0.00 N ATOM 0 H LYS A 12 8.582 -38.847 0.400 1.00 0.00 H new ATOM 0 HA LYS A 12 10.972 -40.045 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.520 -40.315 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.273 -38.733 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.023 -40.330 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.225 -39.714 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.604 -42.128 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.169 -41.769 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.748 -42.336 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.201 -42.766 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.147 -44.711 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.671 -44.471 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.263 -44.055 0.721 1.00 0.00 H new ATOM 608 N LEU A 35 -9.814 3.592 -0.473 1.00 0.00 N ATOM 609 CA LEU A 35 -8.995 4.115 0.628 1.00 0.00 C ATOM 610 C LEU A 35 -9.656 5.358 1.260 1.00 0.00 C ATOM 611 O LEU A 35 -10.333 6.124 0.567 1.00 0.00 O ATOM 612 CB LEU A 35 -7.602 4.455 0.062 1.00 0.00 C ATOM 613 CG LEU A 35 -6.791 3.220 -0.390 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.904 3.561 -1.586 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.908 2.701 0.745 1.00 0.00 C ATOM 0 HA LEU A 35 -8.903 3.368 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.720 5.130 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.034 4.993 0.821 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.506 2.448 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.343 2.676 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.526 3.896 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.210 4.355 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.347 1.832 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.213 3.483 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.533 2.418 1.592 1.00 0.00 H new ATOM 627 N SER A 36 -9.426 5.592 2.557 1.00 0.00 N ATOM 628 CA SER A 36 -9.844 6.833 3.245 1.00 0.00 C ATOM 629 C SER A 36 -8.913 7.994 2.873 1.00 0.00 C ATOM 630 O SER A 36 -7.824 7.752 2.361 1.00 0.00 O ATOM 631 CB SER A 36 -9.866 6.627 4.767 1.00 0.00 C ATOM 632 OG SER A 36 -10.796 5.614 5.114 1.00 0.00 O ATOM 0 H SER A 36 -8.945 4.930 3.165 1.00 0.00 H new ATOM 0 HA SER A 36 -10.854 7.082 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.871 6.352 5.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.133 7.560 5.263 1.00 0.00 H new ATOM 0 HG SER A 36 -10.799 5.492 6.086 1.00 0.00 H new ATOM 638 N GLU A 37 -9.278 9.252 3.139 1.00 0.00 N ATOM 639 CA GLU A 37 -8.495 10.422 2.683 1.00 0.00 C ATOM 640 C GLU A 37 -7.019 10.384 3.127 1.00 0.00 C ATOM 641 O GLU A 37 -6.128 10.589 2.304 1.00 0.00 O ATOM 642 CB GLU A 37 -9.194 11.708 3.155 1.00 0.00 C ATOM 643 CG GLU A 37 -8.504 12.988 2.660 1.00 0.00 C ATOM 644 CD GLU A 37 -9.294 14.241 3.083 1.00 0.00 C ATOM 645 OE1 GLU A 37 -10.147 14.723 2.298 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.063 14.762 4.203 1.00 0.00 O ATOM 0 H GLU A 37 -10.114 9.495 3.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.463 10.397 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.227 11.702 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.225 11.718 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.492 13.039 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.414 12.960 1.574 1.00 0.00 H new ATOM 653 N GLN A 38 -6.741 10.037 4.391 1.00 0.00 N ATOM 654 CA GLN A 38 -5.364 9.875 4.877 1.00 0.00 C ATOM 655 C GLN A 38 -4.719 8.571 4.389 1.00 0.00 C ATOM 656 O GLN A 38 -3.538 8.561 4.044 1.00 0.00 O ATOM 657 CB GLN A 38 -5.283 10.023 6.408 1.00 0.00 C ATOM 658 CG GLN A 38 -6.110 9.008 7.219 1.00 0.00 C ATOM 659 CD GLN A 38 -5.645 8.940 8.672 1.00 0.00 C ATOM 660 OE1 GLN A 38 -6.221 9.533 9.575 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.578 8.217 8.948 1.00 0.00 N ATOM 0 H GLN A 38 -7.455 9.862 5.098 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.779 10.686 4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.239 9.937 6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.610 11.028 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.163 9.286 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.026 8.022 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.092 7.720 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.238 8.155 9.908 1.00 0.00 H new ATOM 670 N GLN A 39 -5.485 7.477 4.294 1.00 0.00 N ATOM 671 CA GLN A 39 -4.973 6.189 3.817 1.00 0.00 C ATOM 672 C GLN A 39 -4.561 6.257 2.344 1.00 0.00 C ATOM 673 O GLN A 39 -3.523 5.722 1.970 1.00 0.00 O ATOM 674 CB GLN A 39 -5.976 5.057 4.089 1.00 0.00 C ATOM 675 CG GLN A 39 -6.005 4.674 5.581 1.00 0.00 C ATOM 676 CD GLN A 39 -6.797 3.395 5.859 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.726 3.027 5.150 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.463 2.663 6.902 1.00 0.00 N ATOM 0 H GLN A 39 -6.474 7.461 4.545 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.070 5.959 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.972 5.368 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.711 4.184 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.983 4.545 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.440 5.494 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.692 2.954 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.975 1.805 7.108 1.00 0.00 H new ATOM 687 N LYS A 40 -5.300 7.002 1.521 1.00 0.00 N ATOM 688 CA LYS A 40 -4.976 7.251 0.114 1.00 0.00 C ATOM 689 C LYS A 40 -3.637 7.982 -0.020 1.00 0.00 C ATOM 690 O LYS A 40 -2.821 7.589 -0.849 1.00 0.00 O ATOM 691 CB LYS A 40 -6.143 8.039 -0.506 1.00 0.00 C ATOM 692 CG LYS A 40 -5.928 8.358 -1.992 1.00 0.00 C ATOM 693 CD LYS A 40 -7.138 9.075 -2.611 1.00 0.00 C ATOM 694 CE LYS A 40 -8.345 8.136 -2.766 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.472 8.810 -3.463 1.00 0.00 N ATOM 0 H LYS A 40 -6.161 7.460 1.820 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.855 6.311 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.063 7.465 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.278 8.970 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.041 8.982 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.738 7.433 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.416 9.923 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.862 9.475 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.048 7.249 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.673 7.798 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.270 8.149 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.770 9.643 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.165 9.110 -4.410 1.00 0.00 H new ATOM 709 N ILE A 41 -3.369 8.981 0.828 1.00 0.00 N ATOM 710 CA ILE A 41 -2.088 9.709 0.840 1.00 0.00 C ATOM 711 C ILE A 41 -0.950 8.812 1.338 1.00 0.00 C ATOM 712 O ILE A 41 0.106 8.813 0.720 1.00 0.00 O ATOM 713 CB ILE A 41 -2.172 10.996 1.684 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.268 11.955 1.154 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.825 11.744 1.724 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.741 12.972 2.198 1.00 0.00 C ATOM 0 H ILE A 41 -4.033 9.311 1.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.873 10.000 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.431 10.681 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.884 12.489 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.122 11.368 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.927 12.645 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.063 11.098 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.531 12.018 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.508 13.612 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.155 12.445 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.898 13.584 2.518 1.00 0.00 H new ATOM 728 N ILE A 42 -1.136 8.015 2.398 1.00 0.00 N ATOM 729 CA ILE A 42 -0.080 7.111 2.901 1.00 0.00 C ATOM 730 C ILE A 42 0.276 6.063 1.838 1.00 0.00 C ATOM 731 O ILE A 42 1.452 5.817 1.563 1.00 0.00 O ATOM 732 CB ILE A 42 -0.516 6.436 4.217 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.717 7.468 5.350 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.524 5.394 4.672 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.679 6.941 6.420 1.00 0.00 C ATOM 0 H ILE A 42 -2.007 7.974 2.928 1.00 0.00 H new ATOM 0 HA ILE A 42 0.811 7.704 3.110 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.467 5.943 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.245 7.702 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.107 8.397 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.193 4.932 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.631 4.628 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.484 5.884 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.799 7.690 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.648 6.731 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.275 6.026 6.853 1.00 0.00 H new ATOM 747 N LEU A 43 -0.750 5.490 1.205 1.00 0.00 N ATOM 748 CA LEU A 43 -0.626 4.524 0.114 1.00 0.00 C ATOM 749 C LEU A 43 0.136 5.136 -1.073 1.00 0.00 C ATOM 750 O LEU A 43 1.105 4.556 -1.567 1.00 0.00 O ATOM 751 CB LEU A 43 -2.054 4.050 -0.234 1.00 0.00 C ATOM 752 CG LEU A 43 -2.244 2.987 -1.325 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.158 3.556 -2.740 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.299 1.799 -1.155 1.00 0.00 C ATOM 0 H LEU A 43 -1.720 5.693 1.446 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.033 3.657 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.504 3.665 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.629 4.928 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.262 2.621 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.301 2.754 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.933 4.310 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.179 4.011 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.475 1.077 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.267 2.146 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.480 1.325 -0.190 1.00 0.00 H new ATOM 766 N ALA A 44 -0.265 6.337 -1.492 1.00 0.00 N ATOM 767 CA ALA A 44 0.330 7.059 -2.607 1.00 0.00 C ATOM 768 C ALA A 44 1.767 7.513 -2.322 1.00 0.00 C ATOM 769 O ALA A 44 2.659 7.213 -3.112 1.00 0.00 O ATOM 770 CB ALA A 44 -0.567 8.254 -2.926 1.00 0.00 C ATOM 0 H ALA A 44 -1.033 6.844 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 44 0.398 6.388 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.144 8.814 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.562 7.900 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.635 8.901 -2.052 1.00 0.00 H new ATOM 776 N GLU A 45 2.021 8.191 -1.198 1.00 0.00 N ATOM 777 CA GLU A 45 3.356 8.700 -0.849 1.00 0.00 C ATOM 778 C GLU A 45 4.404 7.586 -0.683 1.00 0.00 C ATOM 779 O GLU A 45 5.592 7.834 -0.886 1.00 0.00 O ATOM 780 CB GLU A 45 3.279 9.544 0.434 1.00 0.00 C ATOM 781 CG GLU A 45 2.591 10.905 0.237 1.00 0.00 C ATOM 782 CD GLU A 45 3.462 11.880 -0.580 1.00 0.00 C ATOM 783 OE1 GLU A 45 4.341 12.552 0.012 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.268 11.992 -1.814 1.00 0.00 O ATOM 0 H GLU A 45 1.307 8.404 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 45 3.684 9.318 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.741 8.982 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.288 9.708 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.637 10.759 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.371 11.344 1.210 1.00 0.00 H new ATOM 791 N TYR A 46 3.984 6.354 -0.375 1.00 0.00 N ATOM 792 CA TYR A 46 4.861 5.185 -0.313 1.00 0.00 C ATOM 793 C TYR A 46 5.333 4.777 -1.725 1.00 0.00 C ATOM 794 O TYR A 46 6.521 4.854 -2.039 1.00 0.00 O ATOM 795 CB TYR A 46 4.102 4.077 0.441 1.00 0.00 C ATOM 796 CG TYR A 46 4.807 2.763 0.716 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.032 1.671 1.158 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.203 2.619 0.579 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.642 0.432 1.424 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.816 1.385 0.864 1.00 0.00 C ATOM 801 CZ TYR A 46 6.034 0.285 1.269 1.00 0.00 C ATOM 802 OH TYR A 46 6.618 -0.921 1.482 1.00 0.00 O ATOM 0 H TYR A 46 3.010 6.140 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 46 5.780 5.400 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.785 4.488 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.197 3.854 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.967 1.786 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.802 3.457 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.043 -0.407 1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.887 1.281 0.772 1.00 0.00 H new ATOM 0 HH TYR A 46 7.584 -0.848 1.331 1.00 0.00 H new ATOM 812 N ILE A 47 4.399 4.441 -2.617 1.00 0.00 N ATOM 813 CA ILE A 47 4.612 4.065 -4.022 1.00 0.00 C ATOM 814 C ILE A 47 5.296 5.189 -4.815 1.00 0.00 C ATOM 815 O ILE A 47 6.127 4.920 -5.676 1.00 0.00 O ATOM 816 CB ILE A 47 3.225 3.734 -4.598 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.775 2.395 -3.973 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.201 3.663 -6.137 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.275 2.110 -4.117 1.00 0.00 C ATOM 0 H ILE A 47 3.411 4.422 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 47 5.280 3.207 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 47 2.537 4.541 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.334 1.583 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.034 2.395 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.192 3.426 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.505 4.625 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.889 2.888 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.040 1.152 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.706 2.900 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.011 2.075 -5.174 1.00 0.00 H new ATOM 831 N ALA A 48 4.993 6.449 -4.511 1.00 0.00 N ATOM 832 CA ALA A 48 5.597 7.613 -5.157 1.00 0.00 C ATOM 833 C ALA A 48 7.075 7.824 -4.766 1.00 0.00 C ATOM 834 O ALA A 48 7.825 8.449 -5.519 1.00 0.00 O ATOM 835 CB ALA A 48 4.741 8.829 -4.799 1.00 0.00 C ATOM 0 H ALA A 48 4.308 6.695 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 48 5.615 7.456 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.162 9.720 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.724 8.677 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.726 8.958 -3.717 1.00 0.00 H new ATOM 841 N GLU A 49 7.506 7.291 -3.618 1.00 0.00 N ATOM 842 CA GLU A 49 8.889 7.370 -3.133 1.00 0.00 C ATOM 843 C GLU A 49 9.724 6.133 -3.512 1.00 0.00 C ATOM 844 O GLU A 49 10.925 6.277 -3.758 1.00 0.00 O ATOM 845 CB GLU A 49 8.863 7.600 -1.611 1.00 0.00 C ATOM 846 CG GLU A 49 10.217 7.974 -0.990 1.00 0.00 C ATOM 847 CD GLU A 49 10.692 9.375 -1.432 1.00 0.00 C ATOM 848 OE1 GLU A 49 11.497 9.481 -2.389 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.273 10.385 -0.814 1.00 0.00 O ATOM 0 H GLU A 49 6.889 6.781 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 49 9.383 8.209 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.147 8.392 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.496 6.695 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.137 7.945 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.963 7.232 -1.275 1.00 0.00 H new ATOM 856 N VAL A 50 9.126 4.930 -3.601 1.00 0.00 N ATOM 857 CA VAL A 50 9.879 3.678 -3.820 1.00 0.00 C ATOM 858 C VAL A 50 9.509 2.957 -5.113 1.00 0.00 C ATOM 859 O VAL A 50 10.303 2.164 -5.603 1.00 0.00 O ATOM 860 CB VAL A 50 9.801 2.724 -2.606 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.101 3.446 -1.284 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.466 1.985 -2.464 1.00 0.00 C ATOM 0 H VAL A 50 8.118 4.797 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 50 10.917 3.991 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 50 10.570 1.980 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.035 2.737 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.105 3.868 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.376 4.246 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.500 1.338 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.659 2.709 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.288 1.381 -3.354 1.00 0.00 H new ATOM 872 N GLY A 51 8.339 3.223 -5.693 1.00 0.00 N ATOM 873 CA GLY A 51 7.779 2.480 -6.827 1.00 0.00 C ATOM 874 C GLY A 51 7.050 1.208 -6.386 1.00 0.00 C ATOM 875 O GLY A 51 7.498 0.489 -5.492 1.00 0.00 O ATOM 0 H GLY A 51 7.735 3.983 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.087 3.122 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.581 2.216 -7.517 1.00 0.00 H new ATOM 879 N LEU A 52 5.932 0.884 -7.042 1.00 0.00 N ATOM 880 CA LEU A 52 5.012 -0.200 -6.635 1.00 0.00 C ATOM 881 C LEU A 52 5.621 -1.619 -6.755 1.00 0.00 C ATOM 882 O LEU A 52 5.093 -2.611 -6.263 1.00 0.00 O ATOM 883 CB LEU A 52 3.710 -0.044 -7.450 1.00 0.00 C ATOM 884 CG LEU A 52 2.415 -0.370 -6.680 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.263 0.361 -7.366 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.078 -1.859 -6.616 1.00 0.00 C ATOM 0 H LEU A 52 5.629 1.371 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 52 4.804 -0.101 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.649 0.981 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.767 -0.692 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 52 2.568 -0.047 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.332 0.147 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.451 1.434 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.182 0.024 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.153 -1.999 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.953 -2.248 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.887 -2.394 -6.119 1.00 0.00 H new ATOM 898 N GLN A 53 6.783 -1.695 -7.388 1.00 0.00 N ATOM 899 CA GLN A 53 7.613 -2.897 -7.539 1.00 0.00 C ATOM 900 C GLN A 53 8.554 -3.160 -6.344 1.00 0.00 C ATOM 901 O GLN A 53 9.129 -4.246 -6.252 1.00 0.00 O ATOM 902 CB GLN A 53 8.368 -2.813 -8.875 1.00 0.00 C ATOM 903 CG GLN A 53 9.452 -1.721 -8.903 1.00 0.00 C ATOM 904 CD GLN A 53 9.864 -1.372 -10.331 1.00 0.00 C ATOM 905 OE1 GLN A 53 10.907 -1.775 -10.829 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.055 -0.609 -11.039 1.00 0.00 N ATOM 0 H GLN A 53 7.201 -0.880 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 53 6.952 -3.764 -7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.831 -3.778 -9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.653 -2.624 -9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.081 -0.827 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.325 -2.060 -8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.185 -0.270 -10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.299 -0.357 -11.997 1.00 0.00 H new ATOM 915 N ASN A 54 8.711 -2.188 -5.429 1.00 0.00 N ATOM 916 CA ASN A 54 9.604 -2.268 -4.261 1.00 0.00 C ATOM 917 C ASN A 54 8.882 -2.270 -2.902 1.00 0.00 C ATOM 918 O ASN A 54 9.503 -2.540 -1.872 1.00 0.00 O ATOM 919 CB ASN A 54 10.648 -1.144 -4.342 1.00 0.00 C ATOM 920 CG ASN A 54 11.485 -1.215 -5.606 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.182 -2.183 -5.876 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.428 -0.194 -6.427 1.00 0.00 N ATOM 0 H ASN A 54 8.207 -1.303 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 54 10.095 -3.240 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.142 -0.179 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.304 -1.199 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.966 -0.206 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.846 0.612 -6.199 1.00 0.00 H new ATOM 929 N ILE A 55 7.574 -2.009 -2.897 1.00 0.00 N ATOM 930 CA ILE A 55 6.709 -2.209 -1.724 1.00 0.00 C ATOM 931 C ILE A 55 6.480 -3.700 -1.438 1.00 0.00 C ATOM 932 O ILE A 55 6.611 -4.550 -2.322 1.00 0.00 O ATOM 933 CB ILE A 55 5.365 -1.451 -1.835 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.406 -2.047 -2.886 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.602 0.041 -2.094 1.00 0.00 C ATOM 936 CD1 ILE A 55 3.057 -1.329 -2.926 1.00 0.00 C ATOM 0 H ILE A 55 7.077 -1.650 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 55 7.243 -1.780 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 55 4.868 -1.571 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.872 -1.992 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.245 -3.103 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.643 0.554 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.178 0.466 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.153 0.165 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.422 -1.790 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.575 -1.406 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.211 -0.278 -3.172 1.00 0.00 H new ATOM 948 N THR A 56 6.078 -4.008 -0.206 1.00 0.00 N ATOM 949 CA THR A 56 5.678 -5.349 0.243 1.00 0.00 C ATOM 950 C THR A 56 4.329 -5.283 0.942 1.00 0.00 C ATOM 951 O THR A 56 4.063 -4.331 1.669 1.00 0.00 O ATOM 952 CB THR A 56 6.733 -5.961 1.187 1.00 0.00 C ATOM 953 OG1 THR A 56 7.358 -4.997 2.006 1.00 0.00 O ATOM 954 CG2 THR A 56 7.832 -6.672 0.399 1.00 0.00 C ATOM 0 H THR A 56 6.018 -3.310 0.535 1.00 0.00 H new ATOM 0 HA THR A 56 5.599 -5.990 -0.635 1.00 0.00 H new ATOM 0 HB THR A 56 6.185 -6.665 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.120 -5.405 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.561 -7.093 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.393 -7.472 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.327 -5.959 -0.260 1.00 0.00 H new ATOM 962 N ALA A 57 3.480 -6.305 0.787 1.00 0.00 N ATOM 963 CA ALA A 57 2.190 -6.407 1.472 1.00 0.00 C ATOM 964 C ALA A 57 2.350 -6.515 2.997 1.00 0.00 C ATOM 965 O ALA A 57 1.473 -6.083 3.738 1.00 0.00 O ATOM 966 CB ALA A 57 1.445 -7.627 0.922 1.00 0.00 C ATOM 0 H ALA A 57 3.674 -7.096 0.172 1.00 0.00 H new ATOM 0 HA ALA A 57 1.621 -5.497 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.480 -7.720 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.289 -7.505 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.035 -8.526 1.103 1.00 0.00 H new ATOM 972 N ILE A 58 3.492 -7.029 3.464 1.00 0.00 N ATOM 973 CA ILE A 58 3.884 -7.079 4.878 1.00 0.00 C ATOM 974 C ILE A 58 4.035 -5.653 5.417 1.00 0.00 C ATOM 975 O ILE A 58 3.493 -5.307 6.464 1.00 0.00 O ATOM 976 CB ILE A 58 5.221 -7.846 5.023 1.00 0.00 C ATOM 977 CG1 ILE A 58 5.086 -9.377 4.841 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.830 -7.609 6.420 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.653 -9.866 3.452 1.00 0.00 C ATOM 0 H ILE A 58 4.195 -7.436 2.847 1.00 0.00 H new ATOM 0 HA ILE A 58 3.115 -7.598 5.450 1.00 0.00 H new ATOM 0 HB ILE A 58 5.857 -7.457 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.046 -9.835 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.366 -9.745 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.769 -8.155 6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.016 -6.544 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.136 -7.960 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.595 -10.954 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.675 -9.450 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.381 -9.541 2.709 1.00 0.00 H new ATOM 991 N THR A 59 4.771 -4.817 4.686 1.00 0.00 N ATOM 992 CA THR A 59 5.047 -3.434 5.073 1.00 0.00 C ATOM 993 C THR A 59 3.815 -2.571 4.848 1.00 0.00 C ATOM 994 O THR A 59 3.433 -1.824 5.738 1.00 0.00 O ATOM 995 CB THR A 59 6.259 -2.921 4.291 1.00 0.00 C ATOM 996 OG1 THR A 59 7.388 -3.706 4.603 1.00 0.00 O ATOM 997 CG2 THR A 59 6.619 -1.477 4.620 1.00 0.00 C ATOM 0 H THR A 59 5.197 -5.084 3.799 1.00 0.00 H new ATOM 0 HA THR A 59 5.285 -3.384 6.135 1.00 0.00 H new ATOM 0 HB THR A 59 5.986 -2.983 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.705 -4.159 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.486 -1.175 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.776 -0.829 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.853 -1.393 5.681 1.00 0.00 H new ATOM 1005 N LEU A 60 3.111 -2.727 3.725 1.00 0.00 N ATOM 1006 CA LEU A 60 1.868 -2.020 3.423 1.00 0.00 C ATOM 1007 C LEU A 60 0.751 -2.354 4.432 1.00 0.00 C ATOM 1008 O LEU A 60 0.030 -1.456 4.863 1.00 0.00 O ATOM 1009 CB LEU A 60 1.487 -2.326 1.959 1.00 0.00 C ATOM 1010 CG LEU A 60 0.413 -1.395 1.379 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.986 0.004 1.173 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.052 -1.905 0.016 1.00 0.00 C ATOM 0 H LEU A 60 3.398 -3.365 2.983 1.00 0.00 H new ATOM 0 HA LEU A 60 2.013 -0.945 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.382 -2.258 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.133 -3.355 1.895 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.420 -1.370 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.215 0.656 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.326 0.403 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.827 -0.045 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.813 -1.235 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.796 -1.939 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.471 -2.905 0.125 1.00 0.00 H new ATOM 1024 N SER A 61 0.696 -3.599 4.926 1.00 0.00 N ATOM 1025 CA SER A 61 -0.144 -4.005 6.067 1.00 0.00 C ATOM 1026 C SER A 61 0.082 -3.146 7.311 1.00 0.00 C ATOM 1027 O SER A 61 -0.843 -2.829 8.059 1.00 0.00 O ATOM 1028 CB SER A 61 0.066 -5.491 6.380 1.00 0.00 C ATOM 1029 OG SER A 61 -0.726 -5.922 7.467 1.00 0.00 O ATOM 0 H SER A 61 1.243 -4.368 4.538 1.00 0.00 H new ATOM 0 HA SER A 61 -1.181 -3.845 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.176 -6.084 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.118 -5.669 6.605 1.00 0.00 H new ATOM 0 HG SER A 61 -1.523 -5.356 7.536 1.00 0.00 H new ATOM 1035 N LYS A 62 1.319 -2.683 7.474 1.00 0.00 N ATOM 1036 CA LYS A 62 1.807 -1.945 8.642 1.00 0.00 C ATOM 1037 C LYS A 62 1.886 -0.427 8.433 1.00 0.00 C ATOM 1038 O LYS A 62 1.771 0.315 9.409 1.00 0.00 O ATOM 1039 CB LYS A 62 3.141 -2.547 9.117 1.00 0.00 C ATOM 1040 CG LYS A 62 2.951 -3.993 9.603 1.00 0.00 C ATOM 1041 CD LYS A 62 4.292 -4.592 10.039 1.00 0.00 C ATOM 1042 CE LYS A 62 4.198 -6.095 10.337 1.00 0.00 C ATOM 1043 NZ LYS A 62 3.359 -6.393 11.529 1.00 0.00 N ATOM 0 H LYS A 62 2.042 -2.816 6.767 1.00 0.00 H new ATOM 0 HA LYS A 62 1.066 -2.065 9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.864 -2.526 8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.552 -1.939 9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.248 -4.014 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.518 -4.597 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.032 -4.426 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.647 -4.071 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.784 -6.608 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.200 -6.493 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.330 -7.421 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.766 -5.928 12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.394 -6.039 11.371 1.00 0.00 H new ATOM 1057 N LYS A 63 1.992 0.057 7.185 1.00 0.00 N ATOM 1058 CA LYS A 63 1.950 1.485 6.830 1.00 0.00 C ATOM 1059 C LYS A 63 0.573 2.090 7.116 1.00 0.00 C ATOM 1060 O LYS A 63 0.482 3.230 7.568 1.00 0.00 O ATOM 1061 CB LYS A 63 2.299 1.624 5.337 1.00 0.00 C ATOM 1062 CG LYS A 63 3.776 1.377 4.982 1.00 0.00 C ATOM 1063 CD LYS A 63 4.705 2.547 5.325 1.00 0.00 C ATOM 1064 CE LYS A 63 6.102 2.281 4.750 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.042 3.393 5.054 1.00 0.00 N ATOM 0 H LYS A 63 2.112 -0.550 6.374 1.00 0.00 H new ATOM 0 HA LYS A 63 2.673 2.029 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.684 0.925 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.026 2.627 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.121 0.487 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.852 1.167 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.304 3.475 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.764 2.673 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.494 1.351 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.032 2.148 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.976 3.178 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.680 4.276 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.128 3.503 6.085 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.488 1.314 6.869 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.892 1.754 6.933 1.00 0.00 C ATOM 1081 C LEU A 64 -2.715 1.084 8.050 1.00 0.00 C ATOM 1082 O LEU A 64 -3.902 1.382 8.194 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.527 1.543 5.547 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.816 2.340 4.435 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.154 1.435 3.403 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.785 3.237 3.691 1.00 0.00 C ATOM 0 H LEU A 64 -0.394 0.332 6.611 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.900 2.811 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.502 0.482 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.576 1.837 5.585 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.056 2.932 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.668 2.046 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.411 0.807 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.909 0.805 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.251 3.784 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.566 2.629 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.235 3.943 4.388 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.092 0.213 8.853 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.732 -0.597 9.905 1.00 0.00 C ATOM 1100 C ASN A 65 -3.876 -1.489 9.365 1.00 0.00 C ATOM 1101 O ASN A 65 -4.977 -1.532 9.925 1.00 0.00 O ATOM 1102 CB ASN A 65 -3.143 0.284 11.105 1.00 0.00 C ATOM 1103 CG ASN A 65 -2.068 1.256 11.558 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -1.152 0.913 12.293 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -2.144 2.499 11.132 1.00 0.00 N ATOM 0 H ASN A 65 -1.088 0.044 8.788 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.990 -1.304 10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.038 0.847 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.410 -0.362 11.942 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.438 3.179 11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.909 2.782 10.519 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.615 -2.177 8.250 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.552 -3.070 7.544 1.00 0.00 C ATOM 1114 C ILE A 66 -4.187 -4.554 7.754 1.00 0.00 C ATOM 1115 O ILE A 66 -3.416 -4.886 8.655 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.667 -2.657 6.054 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.310 -2.604 5.317 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.481 -1.365 5.943 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.330 -1.968 3.922 1.00 0.00 C ATOM 0 H ILE A 66 -2.706 -2.128 7.790 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.547 -2.958 7.975 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.207 -3.443 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.603 -2.052 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.928 -3.621 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.562 -1.075 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.478 -1.527 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.983 -0.572 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.325 -1.985 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.004 -2.530 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.675 -0.937 3.997 1.00 0.00 H new ATOM 1131 N THR A 67 -4.770 -5.459 6.960 1.00 0.00 N ATOM 1132 CA THR A 67 -4.337 -6.865 6.859 1.00 0.00 C ATOM 1133 C THR A 67 -3.366 -7.044 5.689 1.00 0.00 C ATOM 1134 O THR A 67 -3.381 -6.255 4.738 1.00 0.00 O ATOM 1135 CB THR A 67 -5.517 -7.861 6.771 1.00 0.00 C ATOM 1136 OG1 THR A 67 -5.854 -8.148 5.433 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.813 -7.385 7.434 1.00 0.00 C ATOM 0 H THR A 67 -5.565 -5.237 6.361 1.00 0.00 H new ATOM 0 HA THR A 67 -3.816 -7.102 7.787 1.00 0.00 H new ATOM 0 HB THR A 67 -5.142 -8.734 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.602 -8.781 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.582 -8.149 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.634 -7.204 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.147 -6.462 6.960 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.563 -8.116 5.698 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.708 -8.483 4.549 1.00 0.00 C ATOM 1147 C VAL A 68 -2.547 -8.755 3.298 1.00 0.00 C ATOM 1148 O VAL A 68 -2.100 -8.470 2.193 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.824 -9.705 4.880 1.00 0.00 C ATOM 1150 CG1 VAL A 68 0.052 -10.155 3.699 1.00 0.00 C ATOM 1151 CG2 VAL A 68 0.127 -9.391 6.045 1.00 0.00 C ATOM 0 H VAL A 68 -2.484 -8.752 6.492 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.056 -7.634 4.344 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.523 -10.502 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.649 -11.017 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.584 -10.427 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.713 -9.340 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.740 -10.266 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.771 -8.555 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.455 -9.129 6.929 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.784 -9.235 3.437 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.644 -9.561 2.297 1.00 0.00 C ATOM 1163 C GLU A 69 -5.341 -8.303 1.772 1.00 0.00 C ATOM 1164 O GLU A 69 -5.501 -8.153 0.558 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.645 -10.664 2.681 1.00 0.00 C ATOM 1166 CG GLU A 69 -4.928 -11.968 3.063 1.00 0.00 C ATOM 1167 CD GLU A 69 -5.923 -13.113 3.333 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -6.618 -13.087 4.379 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -5.991 -14.065 2.518 1.00 0.00 O ATOM 0 H GLU A 69 -4.218 -9.409 4.343 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.029 -9.949 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.257 -10.326 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.321 -10.850 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.250 -12.258 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.318 -11.800 3.951 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.660 -7.342 2.655 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.218 -6.053 2.268 1.00 0.00 C ATOM 1178 C LYS A 70 -5.171 -5.199 1.556 1.00 0.00 C ATOM 1179 O LYS A 70 -5.451 -4.619 0.516 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.811 -5.352 3.494 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.946 -4.422 3.046 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.915 -3.084 3.778 1.00 0.00 C ATOM 1183 CE LYS A 70 -9.093 -2.211 3.323 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.138 -0.909 4.040 1.00 0.00 N ATOM 0 H LYS A 70 -5.534 -7.447 3.662 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.028 -6.210 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.188 -6.090 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.039 -4.781 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.870 -4.249 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.905 -4.909 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.967 -3.247 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.974 -2.572 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.016 -2.031 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.027 -2.748 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.949 -0.354 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.238 -1.078 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.259 -0.383 3.860 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.943 -5.212 2.064 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.763 -4.615 1.447 1.00 0.00 C ATOM 1200 C ALA A 71 -2.445 -5.232 0.075 1.00 0.00 C ATOM 1201 O ALA A 71 -2.221 -4.517 -0.902 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.587 -4.823 2.407 1.00 0.00 C ATOM 0 H ALA A 71 -3.734 -5.659 2.957 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.949 -3.555 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.685 -4.388 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.805 -4.339 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.434 -5.890 2.569 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.447 -6.567 -0.020 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.034 -7.304 -1.212 1.00 0.00 C ATOM 1210 C LYS A 72 -3.066 -7.186 -2.318 1.00 0.00 C ATOM 1211 O LYS A 72 -2.668 -7.173 -3.478 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.741 -8.759 -0.813 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.247 -9.633 -1.969 1.00 0.00 C ATOM 1214 CD LYS A 72 -0.727 -10.993 -1.473 1.00 0.00 C ATOM 1215 CE LYS A 72 0.655 -10.878 -0.811 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.198 -12.215 -0.448 1.00 0.00 N ATOM 0 H LYS A 72 -2.742 -7.173 0.746 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.121 -6.873 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.992 -8.764 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.647 -9.201 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.059 -9.791 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.453 -9.113 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.436 -11.413 -0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.670 -11.686 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.344 -10.376 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.581 -10.259 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.131 -12.102 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.552 -12.683 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.291 -12.796 -1.305 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.350 -6.994 -1.986 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.383 -6.748 -2.994 1.00 0.00 C ATOM 1232 C ASN A 73 -4.937 -5.635 -3.959 1.00 0.00 C ATOM 1233 O ASN A 73 -4.969 -5.801 -5.178 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.763 -6.461 -2.343 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.254 -5.018 -2.470 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.482 -4.497 -3.548 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.390 -4.292 -1.394 1.00 0.00 N ATOM 0 H ASN A 73 -4.695 -7.005 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.514 -7.655 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.504 -7.121 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.709 -6.718 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.680 -3.317 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.206 -4.700 -0.477 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.434 -4.532 -3.399 1.00 0.00 N ATOM 1245 CA TYR A 74 -4.052 -3.352 -4.155 1.00 0.00 C ATOM 1246 C TYR A 74 -2.902 -3.679 -5.111 1.00 0.00 C ATOM 1247 O TYR A 74 -2.962 -3.322 -6.279 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.614 -2.250 -3.186 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.587 -1.862 -2.087 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.083 -1.693 -0.782 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.952 -1.611 -2.360 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.926 -1.235 0.247 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.798 -1.160 -1.326 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.288 -0.976 -0.022 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.109 -0.551 0.977 1.00 0.00 O ATOM 0 H TYR A 74 -4.281 -4.439 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.908 -3.013 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.682 -2.565 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.391 -1.357 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.047 -1.916 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.344 -1.764 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.532 -1.082 1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.838 -0.955 -1.532 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.013 -0.419 0.623 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.901 -4.433 -4.643 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.703 -4.828 -5.402 1.00 0.00 C ATOM 1267 C ILE A 75 -1.050 -5.804 -6.545 1.00 0.00 C ATOM 1268 O ILE A 75 -0.402 -5.810 -7.590 1.00 0.00 O ATOM 1269 CB ILE A 75 0.349 -5.423 -4.425 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.609 -4.464 -3.234 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.670 -5.728 -5.159 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.580 -4.994 -2.175 1.00 0.00 C ATOM 0 H ILE A 75 -1.900 -4.800 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.276 -3.946 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.055 -6.357 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.998 -3.523 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.343 -4.241 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.390 -6.143 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.485 -6.448 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.070 -4.808 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.696 -4.253 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.187 -5.918 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.549 -5.189 -2.635 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.117 -6.598 -6.394 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.654 -7.508 -7.417 1.00 0.00 C ATOM 1286 C LYS A 76 -3.530 -6.776 -8.451 1.00 0.00 C ATOM 1287 O LYS A 76 -3.651 -7.249 -9.580 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.363 -8.661 -6.694 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.472 -9.479 -5.733 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.422 -10.395 -6.382 1.00 0.00 C ATOM 1291 CE LYS A 76 -2.027 -11.716 -6.872 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.965 -12.650 -7.340 1.00 0.00 N ATOM 0 H LYS A 76 -2.651 -6.627 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.846 -7.924 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.202 -8.254 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.780 -9.336 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.955 -8.783 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.120 -10.093 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.959 -9.876 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.631 -10.605 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.595 -12.181 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.727 -11.520 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.401 -13.536 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.440 -12.213 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.312 -12.854 -6.557 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.097 -5.617 -8.104 1.00 0.00 N ATOM 1307 CA ASN A 77 -5.059 -4.852 -8.896 1.00 0.00 C ATOM 1308 C ASN A 77 -4.390 -3.688 -9.622 1.00 0.00 C ATOM 1309 O ASN A 77 -4.369 -3.628 -10.854 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.131 -4.322 -7.926 1.00 0.00 C ATOM 1311 CG ASN A 77 -7.064 -5.401 -7.447 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -7.347 -6.361 -8.144 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -7.658 -5.226 -6.298 1.00 0.00 N ATOM 0 H ASN A 77 -3.884 -5.165 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.498 -5.493 -9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.643 -3.862 -7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.709 -3.541 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.361 -5.893 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.419 -4.422 -5.718 1.00 0.00 H new ATOM 1597 N GLU A 95 8.420 3.955 -38.093 1.00 0.00 N ATOM 1598 CA GLU A 95 7.594 4.984 -38.738 1.00 0.00 C ATOM 1599 C GLU A 95 8.351 5.595 -39.935 1.00 0.00 C ATOM 1600 O GLU A 95 9.582 5.693 -39.919 1.00 0.00 O ATOM 1601 CB GLU A 95 7.212 6.041 -37.684 1.00 0.00 C ATOM 1602 CG GLU A 95 6.237 7.107 -38.203 1.00 0.00 C ATOM 1603 CD GLU A 95 5.787 8.040 -37.062 1.00 0.00 C ATOM 1604 OE1 GLU A 95 4.704 7.806 -36.470 1.00 0.00 O ATOM 1605 OE2 GLU A 95 6.510 9.017 -36.746 1.00 0.00 O ATOM 0 HA GLU A 95 6.676 4.549 -39.134 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.765 5.540 -36.825 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.118 6.532 -37.330 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.715 7.691 -38.989 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.367 6.624 -38.649 1.00 0.00 H new ATOM 1612 N GLU A 96 7.631 6.002 -40.984 1.00 0.00 N ATOM 1613 CA GLU A 96 8.196 6.532 -42.229 1.00 0.00 C ATOM 1614 C GLU A 96 7.462 7.806 -42.658 1.00 0.00 C ATOM 1615 O GLU A 96 6.243 7.811 -42.854 1.00 0.00 O ATOM 1616 CB GLU A 96 8.162 5.439 -43.312 1.00 0.00 C ATOM 1617 CG GLU A 96 8.866 5.869 -44.604 1.00 0.00 C ATOM 1618 CD GLU A 96 8.918 4.706 -45.614 1.00 0.00 C ATOM 1619 OE1 GLU A 96 7.957 4.537 -46.405 1.00 0.00 O ATOM 1620 OE2 GLU A 96 9.923 3.953 -45.633 1.00 0.00 O ATOM 0 H GLU A 96 6.611 5.971 -40.991 1.00 0.00 H new ATOM 0 HA GLU A 96 9.237 6.814 -42.071 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.636 4.536 -42.927 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.126 5.185 -43.534 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.340 6.716 -45.045 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.878 6.205 -44.377 1.00 0.00 H new ATOM 1627 N VAL A 97 8.230 8.888 -42.799 1.00 0.00 N ATOM 1628 CA VAL A 97 7.762 10.213 -43.225 1.00 0.00 C ATOM 1629 C VAL A 97 8.711 10.780 -44.283 1.00 0.00 C ATOM 1630 O VAL A 97 9.839 11.162 -43.961 1.00 0.00 O ATOM 1631 CB VAL A 97 7.653 11.184 -42.026 1.00 0.00 C ATOM 1632 CG1 VAL A 97 7.159 12.565 -42.478 1.00 0.00 C ATOM 1633 CG2 VAL A 97 6.709 10.660 -40.937 1.00 0.00 C ATOM 0 H VAL A 97 9.233 8.867 -42.613 1.00 0.00 H new ATOM 0 HA VAL A 97 6.766 10.103 -43.654 1.00 0.00 H new ATOM 0 HB VAL A 97 8.657 11.265 -41.610 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.092 13.228 -41.615 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.858 12.982 -43.202 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.176 12.467 -42.938 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.666 11.377 -40.117 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.711 10.526 -41.354 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.078 9.704 -40.565 1.00 0.00 H new ATOM 1643 N SER A 98 8.260 10.843 -45.540 1.00 0.00 N ATOM 1644 CA SER A 98 8.950 11.569 -46.623 1.00 0.00 C ATOM 1645 C SER A 98 8.027 11.828 -47.827 1.00 0.00 C ATOM 1646 O SER A 98 7.482 12.927 -47.956 1.00 0.00 O ATOM 1647 CB SER A 98 10.237 10.837 -47.042 1.00 0.00 C ATOM 1648 OG SER A 98 10.944 11.592 -48.012 1.00 0.00 O ATOM 0 H SER A 98 7.398 10.389 -45.842 1.00 0.00 H new ATOM 0 HA SER A 98 9.232 12.546 -46.231 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.869 10.672 -46.169 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.989 9.856 -47.446 1.00 0.00 H new ATOM 0 HG SER A 98 11.761 11.114 -48.267 1.00 0.00 H new ATOM 1654 N SER A 99 7.811 10.823 -48.687 1.00 0.00 N ATOM 1655 CA SER A 99 7.081 10.967 -49.964 1.00 0.00 C ATOM 1656 C SER A 99 5.594 10.603 -49.879 1.00 0.00 C ATOM 1657 O SER A 99 4.787 11.124 -50.652 1.00 0.00 O ATOM 1658 CB SER A 99 7.744 10.103 -51.047 1.00 0.00 C ATOM 1659 OG SER A 99 9.110 10.453 -51.209 1.00 0.00 O ATOM 0 H SER A 99 8.141 9.873 -48.517 1.00 0.00 H new ATOM 0 HA SER A 99 7.133 12.026 -50.217 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.664 9.050 -50.777 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.217 10.231 -51.993 1.00 0.00 H new ATOM 0 HG SER A 99 9.512 9.889 -51.902 1.00 0.00 H new ATOM 1665 N MET A 100 5.222 9.712 -48.951 1.00 0.00 N ATOM 1666 CA MET A 100 3.850 9.239 -48.727 1.00 0.00 C ATOM 1667 C MET A 100 3.567 9.170 -47.219 1.00 0.00 C ATOM 1668 O MET A 100 4.132 8.335 -46.510 1.00 0.00 O ATOM 1669 CB MET A 100 3.641 7.864 -49.394 1.00 0.00 C ATOM 1670 CG MET A 100 3.791 7.908 -50.919 1.00 0.00 C ATOM 1671 SD MET A 100 3.486 6.321 -51.744 1.00 0.00 S ATOM 1672 CE MET A 100 3.868 6.796 -53.453 1.00 0.00 C ATOM 0 H MET A 100 5.893 9.285 -48.312 1.00 0.00 H new ATOM 0 HA MET A 100 3.149 9.940 -49.180 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.360 7.155 -48.984 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.648 7.492 -49.143 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.101 8.651 -51.319 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.799 8.244 -51.164 1.00 0.00 H new ATOM 0 HE1 MET A 100 3.734 5.936 -54.108 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.200 7.598 -53.766 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.901 7.140 -53.513 1.00 0.00 H new ATOM 1682 N GLU A 101 2.705 10.060 -46.723 1.00 0.00 N ATOM 1683 CA GLU A 101 2.316 10.152 -45.308 1.00 0.00 C ATOM 1684 C GLU A 101 0.829 10.557 -45.217 1.00 0.00 C ATOM 1685 O GLU A 101 0.490 11.743 -45.166 1.00 0.00 O ATOM 1686 CB GLU A 101 3.271 11.124 -44.578 1.00 0.00 C ATOM 1687 CG GLU A 101 3.309 10.937 -43.053 1.00 0.00 C ATOM 1688 CD GLU A 101 1.992 11.303 -42.339 1.00 0.00 C ATOM 1689 OE1 GLU A 101 1.161 10.394 -42.097 1.00 0.00 O ATOM 1690 OE2 GLU A 101 1.799 12.491 -41.978 1.00 0.00 O ATOM 0 H GLU A 101 2.244 10.757 -47.308 1.00 0.00 H new ATOM 0 HA GLU A 101 2.410 9.189 -44.807 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.278 10.994 -44.975 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.970 12.148 -44.801 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.553 9.898 -42.831 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.113 11.548 -42.643 1.00 0.00 H new ATOM 1697 N ALA A 102 -0.067 9.564 -45.277 1.00 0.00 N ATOM 1698 CA ALA A 102 -1.523 9.744 -45.241 1.00 0.00 C ATOM 1699 C ALA A 102 -2.260 8.507 -44.678 1.00 0.00 C ATOM 1700 O ALA A 102 -1.717 7.396 -44.664 1.00 0.00 O ATOM 1701 CB ALA A 102 -2.011 10.067 -46.664 1.00 0.00 C ATOM 0 H ALA A 102 0.209 8.585 -45.354 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.752 10.568 -44.565 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.092 10.204 -46.655 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.532 10.981 -47.014 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.755 9.245 -47.332 1.00 0.00 H new ATOM 1707 N LYS A 103 -3.519 8.701 -44.254 1.00 0.00 N ATOM 1708 CA LYS A 103 -4.449 7.645 -43.793 1.00 0.00 C ATOM 1709 C LYS A 103 -5.684 7.537 -44.696 1.00 0.00 C ATOM 1710 O LYS A 103 -5.848 6.532 -45.389 1.00 0.00 O ATOM 1711 CB LYS A 103 -4.833 7.890 -42.317 1.00 0.00 C ATOM 1712 CG LYS A 103 -3.802 7.354 -41.311 1.00 0.00 C ATOM 1713 CD LYS A 103 -3.917 5.832 -41.131 1.00 0.00 C ATOM 1714 CE LYS A 103 -2.938 5.342 -40.057 1.00 0.00 C ATOM 1715 NZ LYS A 103 -3.119 3.894 -39.778 1.00 0.00 N ATOM 0 H LYS A 103 -3.938 9.631 -44.220 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.939 6.684 -43.859 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.960 8.961 -42.157 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.797 7.422 -42.119 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.797 7.605 -41.652 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.944 7.845 -40.349 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.937 5.569 -40.849 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.709 5.331 -42.077 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.915 5.526 -40.384 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.087 5.912 -39.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.442 3.594 -39.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.089 3.724 -39.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.953 3.349 -40.648 1.00 0.00 H new