USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl -108:sc= -0.452 (180deg=-0.408) USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= -0.184 USER MOD Set 1.3: A 88 GLN : amide:sc= 1.1 K(o=0.47,f=-1.9) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 0.613 (180deg=-0.339!) USER MOD Single : A 19 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.98) USER MOD Single : A 20 THR OG1 : rot -8:sc= -4.1! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 40:sc= 0.0606 USER MOD Single : A 25 MET CE :methyl 140:sc= -0.228 (180deg=-0.868) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -13:sc= 0.65 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.86 K(o=-1.9,f=-1.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0638 USER MOD Single : A 58 SER OG : rot -28:sc= 0.511 USER MOD Single : A 63 HIS : no HE2:sc= -0.445 X(o=-0.45,f=-0.7) USER MOD Single : A 65 TYR OH : rot -20:sc= 0.2 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.07) USER MOD Single : A 74 ASN : amide:sc= -0.0607 K(o=-0.061,f=-0.62) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.05) USER MOD Single : A 81 SER OG : rot -110:sc= 0.101 USER MOD Single : A 86 THR OG1 : rot -30:sc= 1.23 USER MOD Single : A 91 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -16.055 2.453 -12.192 1.00 0.00 N ATOM 112 CA ASP A 8 -15.470 2.101 -10.912 1.00 0.00 C ATOM 113 C ASP A 8 -14.027 1.635 -11.131 1.00 0.00 C ATOM 114 O ASP A 8 -13.748 0.449 -11.317 1.00 0.00 O ATOM 115 CB ASP A 8 -16.324 1.053 -10.172 1.00 0.00 C ATOM 116 CG ASP A 8 -16.491 -0.266 -10.910 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.011 -0.265 -12.046 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.141 -1.319 -10.329 1.00 0.00 O ATOM 0 HA ASP A 8 -15.452 2.979 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.871 0.855 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.311 1.476 -9.983 1.00 0.00 H new ATOM 123 N PRO A 9 -13.093 2.599 -11.148 1.00 0.00 N ATOM 124 CA PRO A 9 -11.699 2.369 -11.536 1.00 0.00 C ATOM 125 C PRO A 9 -10.872 1.683 -10.454 1.00 0.00 C ATOM 126 O PRO A 9 -11.248 1.657 -9.283 1.00 0.00 O ATOM 127 CB PRO A 9 -11.151 3.784 -11.796 1.00 0.00 C ATOM 128 CG PRO A 9 -12.310 4.715 -11.644 1.00 0.00 C ATOM 129 CD PRO A 9 -13.314 4.002 -10.789 1.00 0.00 C ATOM 0 HA PRO A 9 -11.642 1.701 -12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.359 4.030 -11.089 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.721 3.857 -12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.999 5.651 -11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.736 4.967 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.144 4.181 -9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.333 4.321 -11.007 1.00 0.00 H new ATOM 137 N THR A 10 -9.739 1.136 -10.859 1.00 0.00 N ATOM 138 CA THR A 10 -8.829 0.468 -9.947 1.00 0.00 C ATOM 139 C THR A 10 -7.479 1.182 -9.941 1.00 0.00 C ATOM 140 O THR A 10 -6.851 1.346 -10.988 1.00 0.00 O ATOM 141 CB THR A 10 -8.631 -1.002 -10.356 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.906 -1.611 -10.602 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.896 -1.776 -9.272 1.00 0.00 C ATOM 0 H THR A 10 -9.425 1.143 -11.829 1.00 0.00 H new ATOM 0 HA THR A 10 -9.262 0.499 -8.947 1.00 0.00 H new ATOM 0 HB THR A 10 -8.029 -1.027 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.777 -2.546 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.769 -2.812 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.918 -1.326 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.474 -1.746 -8.348 1.00 0.00 H new ATOM 151 N LEU A 11 -7.038 1.608 -8.768 1.00 0.00 N ATOM 152 CA LEU A 11 -5.790 2.343 -8.652 1.00 0.00 C ATOM 153 C LEU A 11 -4.676 1.433 -8.156 1.00 0.00 C ATOM 154 O LEU A 11 -4.917 0.484 -7.408 1.00 0.00 O ATOM 155 CB LEU A 11 -5.953 3.536 -7.704 1.00 0.00 C ATOM 156 CG LEU A 11 -6.973 4.589 -8.145 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.092 5.686 -7.097 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.580 5.181 -9.491 1.00 0.00 C ATOM 0 H LEU A 11 -7.525 1.457 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.523 2.715 -9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.244 3.162 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.984 4.020 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.944 4.105 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.821 6.426 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.417 5.252 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.123 6.166 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.316 5.928 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.600 5.650 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.542 4.390 -10.240 1.00 0.00 H new ATOM 170 N THR A 12 -3.463 1.719 -8.586 1.00 0.00 N ATOM 171 CA THR A 12 -2.303 0.963 -8.158 1.00 0.00 C ATOM 172 C THR A 12 -1.254 1.906 -7.579 1.00 0.00 C ATOM 173 O THR A 12 -0.531 2.577 -8.316 1.00 0.00 O ATOM 174 CB THR A 12 -1.706 0.163 -9.331 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.751 -0.567 -9.989 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.635 -0.803 -8.848 1.00 0.00 C ATOM 0 H THR A 12 -3.255 2.476 -9.237 1.00 0.00 H new ATOM 0 HA THR A 12 -2.616 0.257 -7.388 1.00 0.00 H new ATOM 0 HB THR A 12 -1.244 0.863 -10.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.374 -1.076 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.232 -1.354 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.167 -0.245 -8.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.071 -1.503 -8.136 1.00 0.00 H new ATOM 184 N LEU A 13 -1.201 1.977 -6.259 1.00 0.00 N ATOM 185 CA LEU A 13 -0.299 2.897 -5.583 1.00 0.00 C ATOM 186 C LEU A 13 0.931 2.158 -5.080 1.00 0.00 C ATOM 187 O LEU A 13 0.893 0.949 -4.866 1.00 0.00 O ATOM 188 CB LEU A 13 -1.011 3.581 -4.412 1.00 0.00 C ATOM 189 CG LEU A 13 -2.289 4.340 -4.777 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.909 4.963 -3.539 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.998 5.409 -5.818 1.00 0.00 C ATOM 0 H LEU A 13 -1.772 1.409 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 13 0.014 3.658 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.257 2.825 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.316 4.277 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.999 3.630 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.817 5.499 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.155 4.180 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.201 5.658 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.919 5.937 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.270 6.116 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.596 4.942 -6.717 1.00 0.00 H new ATOM 203 N SER A 14 2.017 2.882 -4.891 1.00 0.00 N ATOM 204 CA SER A 14 3.245 2.281 -4.406 1.00 0.00 C ATOM 205 C SER A 14 3.255 2.294 -2.880 1.00 0.00 C ATOM 206 O SER A 14 2.847 3.277 -2.257 1.00 0.00 O ATOM 207 CB SER A 14 4.458 3.036 -4.960 1.00 0.00 C ATOM 208 OG SER A 14 5.657 2.298 -4.779 1.00 0.00 O ATOM 0 H SER A 14 2.075 3.885 -5.065 1.00 0.00 H new ATOM 0 HA SER A 14 3.300 1.248 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.310 3.237 -6.021 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.545 4.002 -4.462 1.00 0.00 H new ATOM 0 HG SER A 14 6.412 2.805 -5.144 1.00 0.00 H new ATOM 214 N LEU A 15 3.686 1.190 -2.283 1.00 0.00 N ATOM 215 CA LEU A 15 3.779 1.097 -0.835 1.00 0.00 C ATOM 216 C LEU A 15 5.090 1.710 -0.361 1.00 0.00 C ATOM 217 O LEU A 15 6.160 1.353 -0.851 1.00 0.00 O ATOM 218 CB LEU A 15 3.688 -0.367 -0.391 1.00 0.00 C ATOM 219 CG LEU A 15 3.631 -0.594 1.120 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.367 0.018 1.701 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.704 -2.080 1.437 1.00 0.00 C ATOM 0 H LEU A 15 3.976 0.348 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 15 2.949 1.647 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.800 -0.811 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.549 -0.904 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 15 4.490 -0.104 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.342 -0.152 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.357 1.090 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.494 -0.444 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.662 -2.224 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.864 -2.593 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.638 -2.489 1.052 1.00 0.00 H new ATOM 233 N ILE A 16 5.009 2.645 0.570 1.00 0.00 N ATOM 234 CA ILE A 16 6.199 3.297 1.090 1.00 0.00 C ATOM 235 C ILE A 16 6.495 2.847 2.516 1.00 0.00 C ATOM 236 O ILE A 16 5.581 2.614 3.315 1.00 0.00 O ATOM 237 CB ILE A 16 6.080 4.840 1.054 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.886 5.315 1.888 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.958 5.325 -0.384 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.801 6.818 2.039 1.00 0.00 C ATOM 0 H ILE A 16 4.134 2.969 0.981 1.00 0.00 H new ATOM 0 HA ILE A 16 7.022 3.000 0.440 1.00 0.00 H new ATOM 0 HB ILE A 16 6.984 5.265 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.967 4.954 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.945 4.863 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.875 6.412 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.841 5.023 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.070 4.888 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.930 7.074 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.702 7.186 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.709 7.278 1.055 1.00 0.00 H new ATOM 252 N ALA A 17 7.777 2.709 2.819 1.00 0.00 N ATOM 253 CA ALA A 17 8.218 2.368 4.160 1.00 0.00 C ATOM 254 C ALA A 17 8.140 3.595 5.057 1.00 0.00 C ATOM 255 O ALA A 17 8.962 4.507 4.950 1.00 0.00 O ATOM 256 CB ALA A 17 9.634 1.816 4.120 1.00 0.00 C ATOM 0 H ALA A 17 8.535 2.829 2.147 1.00 0.00 H new ATOM 0 HA ALA A 17 7.564 1.598 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.955 1.564 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.658 0.922 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.305 2.567 3.703 1.00 0.00 H new ATOM 262 N LYS A 18 7.143 3.627 5.926 1.00 0.00 N ATOM 263 CA LYS A 18 6.895 4.797 6.749 1.00 0.00 C ATOM 264 C LYS A 18 7.475 4.618 8.148 1.00 0.00 C ATOM 265 O LYS A 18 7.216 3.611 8.814 1.00 0.00 O ATOM 266 CB LYS A 18 5.393 5.069 6.837 1.00 0.00 C ATOM 267 CG LYS A 18 5.048 6.315 7.633 1.00 0.00 C ATOM 268 CD LYS A 18 3.570 6.363 7.968 1.00 0.00 C ATOM 269 CE LYS A 18 3.254 7.522 8.894 1.00 0.00 C ATOM 270 NZ LYS A 18 1.934 7.356 9.556 1.00 0.00 N ATOM 0 H LYS A 18 6.493 2.856 6.079 1.00 0.00 H new ATOM 0 HA LYS A 18 7.388 5.650 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.990 5.169 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.902 4.209 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.632 6.335 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.323 7.202 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.990 6.459 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.271 5.426 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.033 7.604 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.262 8.453 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.251 8.020 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.597 6.381 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.029 7.550 10.573 1.00 0.00 H new ATOM 284 N ASN A 19 8.273 5.601 8.569 1.00 0.00 N ATOM 285 CA ASN A 19 8.858 5.632 9.916 1.00 0.00 C ATOM 286 C ASN A 19 9.772 4.436 10.153 1.00 0.00 C ATOM 287 O ASN A 19 10.031 4.050 11.295 1.00 0.00 O ATOM 288 CB ASN A 19 7.761 5.679 10.985 1.00 0.00 C ATOM 289 CG ASN A 19 6.985 6.984 10.967 1.00 0.00 C ATOM 290 OD1 ASN A 19 7.517 8.035 10.610 1.00 0.00 O ATOM 291 ND2 ASN A 19 5.718 6.924 11.345 1.00 0.00 N ATOM 0 H ASN A 19 8.533 6.398 7.989 1.00 0.00 H new ATOM 0 HA ASN A 19 9.459 6.538 9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.072 4.849 10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.211 5.541 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.146 7.768 11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.314 6.033 11.634 1.00 0.00 H new ATOM 298 N THR A 20 10.281 3.874 9.068 1.00 0.00 N ATOM 299 CA THR A 20 11.155 2.719 9.135 1.00 0.00 C ATOM 300 C THR A 20 12.547 3.129 9.624 1.00 0.00 C ATOM 301 O THR A 20 13.170 4.030 9.059 1.00 0.00 O ATOM 302 CB THR A 20 11.254 2.056 7.751 1.00 0.00 C ATOM 303 OG1 THR A 20 9.932 1.825 7.251 1.00 0.00 O ATOM 304 CG2 THR A 20 12.017 0.740 7.820 1.00 0.00 C ATOM 0 H THR A 20 10.099 4.206 8.121 1.00 0.00 H new ATOM 0 HA THR A 20 10.736 2.004 9.843 1.00 0.00 H new ATOM 0 HB THR A 20 11.799 2.722 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.278 2.021 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.069 0.297 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.026 0.923 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.503 0.056 8.495 1.00 0.00 H new ATOM 312 N PRO A 21 13.034 2.505 10.707 1.00 0.00 N ATOM 313 CA PRO A 21 14.350 2.804 11.265 1.00 0.00 C ATOM 314 C PRO A 21 15.477 2.097 10.518 1.00 0.00 C ATOM 315 O PRO A 21 15.235 1.227 9.679 1.00 0.00 O ATOM 316 CB PRO A 21 14.242 2.279 12.693 1.00 0.00 C ATOM 317 CG PRO A 21 13.292 1.136 12.599 1.00 0.00 C ATOM 318 CD PRO A 21 12.333 1.465 11.482 1.00 0.00 C ATOM 0 HA PRO A 21 14.594 3.864 11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.212 1.959 13.073 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.872 3.048 13.372 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.823 0.207 12.393 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.759 0.997 13.539 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.116 0.589 10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.380 1.828 11.867 1.00 0.00 H new ATOM 326 N ALA A 22 16.710 2.455 10.852 1.00 0.00 N ATOM 327 CA ALA A 22 17.881 1.904 10.184 1.00 0.00 C ATOM 328 C ALA A 22 18.350 0.626 10.867 1.00 0.00 C ATOM 329 O ALA A 22 19.399 0.079 10.531 1.00 0.00 O ATOM 330 CB ALA A 22 19.003 2.927 10.167 1.00 0.00 C ATOM 0 H ALA A 22 16.925 3.129 11.587 1.00 0.00 H new ATOM 0 HA ALA A 22 17.603 1.660 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.873 2.504 9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.674 3.819 9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 19.268 3.193 11.190 1.00 0.00 H new ATOM 336 N ASN A 23 17.577 0.160 11.834 1.00 0.00 N ATOM 337 CA ASN A 23 17.919 -1.060 12.556 1.00 0.00 C ATOM 338 C ASN A 23 17.253 -2.260 11.900 1.00 0.00 C ATOM 339 O ASN A 23 17.660 -3.407 12.095 1.00 0.00 O ATOM 340 CB ASN A 23 17.476 -0.954 14.013 1.00 0.00 C ATOM 341 CG ASN A 23 18.127 -1.997 14.897 1.00 0.00 C ATOM 342 OD1 ASN A 23 17.623 -3.110 15.053 1.00 0.00 O ATOM 343 ND2 ASN A 23 19.259 -1.641 15.484 1.00 0.00 N ATOM 0 H ASN A 23 16.711 0.604 12.138 1.00 0.00 H new ATOM 0 HA ASN A 23 19.001 -1.192 12.524 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.718 0.039 14.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.393 -1.061 14.068 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.747 -2.299 16.092 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.643 -0.709 15.328 1.00 0.00 H new ATOM 350 N SER A 24 16.244 -1.977 11.095 1.00 0.00 N ATOM 351 CA SER A 24 15.458 -3.007 10.454 1.00 0.00 C ATOM 352 C SER A 24 15.569 -2.872 8.946 1.00 0.00 C ATOM 353 O SER A 24 15.238 -1.829 8.379 1.00 0.00 O ATOM 354 CB SER A 24 13.997 -2.898 10.896 1.00 0.00 C ATOM 355 OG SER A 24 13.514 -1.574 10.734 1.00 0.00 O ATOM 0 H SER A 24 15.950 -1.027 10.870 1.00 0.00 H new ATOM 0 HA SER A 24 15.837 -3.986 10.747 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.385 -3.586 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.906 -3.197 11.940 1.00 0.00 H new ATOM 0 HG SER A 24 13.859 -1.200 9.896 1.00 0.00 H new ATOM 361 N MET A 25 16.041 -3.920 8.305 1.00 0.00 N ATOM 362 CA MET A 25 16.245 -3.904 6.871 1.00 0.00 C ATOM 363 C MET A 25 15.131 -4.662 6.171 1.00 0.00 C ATOM 364 O MET A 25 14.801 -5.783 6.552 1.00 0.00 O ATOM 365 CB MET A 25 17.600 -4.519 6.535 1.00 0.00 C ATOM 366 CG MET A 25 17.856 -4.649 5.040 1.00 0.00 C ATOM 367 SD MET A 25 19.424 -5.459 4.668 1.00 0.00 S ATOM 368 CE MET A 25 19.171 -7.065 5.422 1.00 0.00 C ATOM 0 H MET A 25 16.292 -4.799 8.757 1.00 0.00 H new ATOM 0 HA MET A 25 16.229 -2.871 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.387 -3.908 6.978 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.666 -5.506 6.994 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.043 -5.214 4.585 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.848 -3.658 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.587 -7.839 4.777 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.668 -7.094 6.392 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.104 -7.240 5.556 1.00 0.00 H new ATOM 378 N ILE A 26 14.553 -4.049 5.155 1.00 0.00 N ATOM 379 CA ILE A 26 13.467 -4.667 4.414 1.00 0.00 C ATOM 380 C ILE A 26 14.032 -5.473 3.252 1.00 0.00 C ATOM 381 O ILE A 26 14.517 -4.905 2.271 1.00 0.00 O ATOM 382 CB ILE A 26 12.478 -3.614 3.869 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.209 -2.534 4.922 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.175 -4.287 3.460 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.302 -1.423 4.437 1.00 0.00 C ATOM 0 H ILE A 26 14.817 -3.122 4.823 1.00 0.00 H new ATOM 0 HA ILE A 26 12.927 -5.320 5.099 1.00 0.00 H new ATOM 0 HB ILE A 26 12.921 -3.139 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.761 -2.999 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.159 -2.103 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.483 -3.537 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.375 -5.026 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.733 -4.780 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.157 -0.696 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.757 -0.931 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.338 -1.841 4.148 1.00 0.00 H new ATOM 397 N MET A 27 13.983 -6.794 3.367 1.00 0.00 N ATOM 398 CA MET A 27 14.529 -7.665 2.331 1.00 0.00 C ATOM 399 C MET A 27 13.604 -7.709 1.120 1.00 0.00 C ATOM 400 O MET A 27 14.055 -7.826 -0.020 1.00 0.00 O ATOM 401 CB MET A 27 14.758 -9.077 2.881 1.00 0.00 C ATOM 402 CG MET A 27 15.273 -10.062 1.842 1.00 0.00 C ATOM 403 SD MET A 27 15.741 -11.657 2.551 1.00 0.00 S ATOM 404 CE MET A 27 14.205 -12.162 3.324 1.00 0.00 C ATOM 0 H MET A 27 13.574 -7.285 4.162 1.00 0.00 H new ATOM 0 HA MET A 27 15.489 -7.257 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.470 -9.026 3.704 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.822 -9.453 3.293 1.00 0.00 H new ATOM 0 HG2 MET A 27 14.504 -10.219 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.135 -9.629 1.335 1.00 0.00 H new ATOM 0 HE1 MET A 27 14.301 -12.086 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 27 13.397 -11.514 2.985 1.00 0.00 H new ATOM 0 HE3 MET A 27 13.982 -13.193 3.051 1.00 0.00 H new ATOM 414 N THR A 28 12.312 -7.610 1.375 1.00 0.00 N ATOM 415 CA THR A 28 11.321 -7.605 0.314 1.00 0.00 C ATOM 416 C THR A 28 11.145 -6.198 -0.246 1.00 0.00 C ATOM 417 O THR A 28 11.032 -5.233 0.511 1.00 0.00 O ATOM 418 CB THR A 28 9.967 -8.114 0.841 1.00 0.00 C ATOM 419 OG1 THR A 28 10.157 -9.350 1.538 1.00 0.00 O ATOM 420 CG2 THR A 28 8.975 -8.319 -0.294 1.00 0.00 C ATOM 0 H THR A 28 11.922 -7.531 2.314 1.00 0.00 H new ATOM 0 HA THR A 28 11.672 -8.266 -0.478 1.00 0.00 H new ATOM 0 HB THR A 28 9.561 -7.362 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.295 -9.672 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.029 -8.679 0.110 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.813 -7.373 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.372 -9.052 -0.996 1.00 0.00 H new ATOM 428 N LYS A 29 11.151 -6.072 -1.566 1.00 0.00 N ATOM 429 CA LYS A 29 10.867 -4.792 -2.198 1.00 0.00 C ATOM 430 C LYS A 29 9.417 -4.410 -1.947 1.00 0.00 C ATOM 431 O LYS A 29 8.539 -5.274 -1.924 1.00 0.00 O ATOM 432 CB LYS A 29 11.135 -4.842 -3.703 1.00 0.00 C ATOM 433 CG LYS A 29 12.574 -5.162 -4.063 1.00 0.00 C ATOM 434 CD LYS A 29 12.802 -5.042 -5.557 1.00 0.00 C ATOM 435 CE LYS A 29 14.177 -5.545 -5.958 1.00 0.00 C ATOM 436 NZ LYS A 29 14.413 -5.399 -7.417 1.00 0.00 N ATOM 0 H LYS A 29 11.348 -6.834 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 29 11.528 -4.043 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.483 -5.591 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.867 -3.881 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.244 -4.484 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.818 -6.172 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.038 -5.609 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.693 -4.000 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.940 -4.993 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.277 -6.593 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.362 -5.753 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.700 -5.946 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.343 -4.396 -7.681 1.00 0.00 H new ATOM 450 N LEU A 30 9.174 -3.126 -1.747 1.00 0.00 N ATOM 451 CA LEU A 30 7.832 -2.639 -1.461 1.00 0.00 C ATOM 452 C LEU A 30 6.926 -2.820 -2.677 1.00 0.00 C ATOM 453 O LEU A 30 7.159 -2.223 -3.732 1.00 0.00 O ATOM 454 CB LEU A 30 7.863 -1.166 -1.031 1.00 0.00 C ATOM 455 CG LEU A 30 8.372 -0.893 0.393 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.596 -1.716 1.410 1.00 0.00 C ATOM 457 CD2 LEU A 30 9.864 -1.169 0.509 1.00 0.00 C ATOM 0 H LEU A 30 9.889 -2.399 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 30 7.428 -3.226 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.491 -0.616 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.855 -0.760 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 30 8.209 0.163 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.973 -1.507 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.539 -1.455 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.719 -2.776 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.193 -0.966 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.061 -2.213 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.408 -0.526 -0.183 1.00 0.00 H new ATOM 469 N PRO A 31 5.888 -3.664 -2.548 1.00 0.00 N ATOM 470 CA PRO A 31 4.967 -3.963 -3.643 1.00 0.00 C ATOM 471 C PRO A 31 4.004 -2.817 -3.930 1.00 0.00 C ATOM 472 O PRO A 31 3.888 -1.867 -3.153 1.00 0.00 O ATOM 473 CB PRO A 31 4.186 -5.192 -3.152 1.00 0.00 C ATOM 474 CG PRO A 31 4.824 -5.607 -1.867 1.00 0.00 C ATOM 475 CD PRO A 31 5.530 -4.399 -1.330 1.00 0.00 C ATOM 0 HA PRO A 31 5.507 -4.129 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.134 -4.950 -3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.228 -5.998 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.075 -5.964 -1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.525 -6.426 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.885 -3.811 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.411 -4.671 -0.748 1.00 0.00 H new ATOM 483 N SER A 32 3.325 -2.908 -5.059 1.00 0.00 N ATOM 484 CA SER A 32 2.311 -1.940 -5.423 1.00 0.00 C ATOM 485 C SER A 32 0.936 -2.445 -4.992 1.00 0.00 C ATOM 486 O SER A 32 0.564 -3.582 -5.285 1.00 0.00 O ATOM 487 CB SER A 32 2.351 -1.695 -6.930 1.00 0.00 C ATOM 488 OG SER A 32 3.668 -1.364 -7.352 1.00 0.00 O ATOM 0 H SER A 32 3.461 -3.651 -5.745 1.00 0.00 H new ATOM 0 HA SER A 32 2.507 -0.997 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.008 -2.585 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.667 -0.887 -7.190 1.00 0.00 H new ATOM 0 HG SER A 32 3.673 -1.213 -8.320 1.00 0.00 H new ATOM 494 N VAL A 33 0.194 -1.604 -4.286 1.00 0.00 N ATOM 495 CA VAL A 33 -1.099 -1.999 -3.749 1.00 0.00 C ATOM 496 C VAL A 33 -2.208 -1.788 -4.775 1.00 0.00 C ATOM 497 O VAL A 33 -2.186 -0.827 -5.550 1.00 0.00 O ATOM 498 CB VAL A 33 -1.448 -1.231 -2.452 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.406 -1.490 -1.375 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.581 0.262 -2.714 1.00 0.00 C ATOM 0 H VAL A 33 0.465 -0.644 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.024 -3.060 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.411 -1.599 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.672 -0.940 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.370 -2.557 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.571 -1.159 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.827 0.774 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.639 0.648 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.373 0.434 -3.443 1.00 0.00 H new ATOM 510 N ARG A 34 -3.169 -2.696 -4.776 1.00 0.00 N ATOM 511 CA ARG A 34 -4.307 -2.608 -5.671 1.00 0.00 C ATOM 512 C ARG A 34 -5.528 -2.144 -4.896 1.00 0.00 C ATOM 513 O ARG A 34 -6.077 -2.883 -4.079 1.00 0.00 O ATOM 514 CB ARG A 34 -4.593 -3.964 -6.322 1.00 0.00 C ATOM 515 CG ARG A 34 -5.683 -3.903 -7.379 1.00 0.00 C ATOM 516 CD ARG A 34 -6.165 -5.289 -7.779 1.00 0.00 C ATOM 517 NE ARG A 34 -6.817 -5.983 -6.668 1.00 0.00 N ATOM 518 CZ ARG A 34 -8.134 -5.978 -6.447 1.00 0.00 C ATOM 519 NH1 ARG A 34 -8.954 -5.376 -7.299 1.00 0.00 N ATOM 520 NH2 ARG A 34 -8.631 -6.597 -5.385 1.00 0.00 N ATOM 0 H ARG A 34 -3.182 -3.509 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.076 -1.890 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.677 -4.342 -6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.884 -4.676 -5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.524 -3.322 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.306 -3.382 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.862 -5.204 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.319 -5.880 -8.130 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.227 -6.505 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.579 -4.914 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.959 -5.375 -7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.007 -7.077 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.637 -6.593 -5.217 1.00 0.00 H new ATOM 534 N VAL A 35 -5.941 -0.916 -5.136 1.00 0.00 N ATOM 535 CA VAL A 35 -7.104 -0.370 -4.466 1.00 0.00 C ATOM 536 C VAL A 35 -8.167 0.012 -5.485 1.00 0.00 C ATOM 537 O VAL A 35 -7.973 0.912 -6.301 1.00 0.00 O ATOM 538 CB VAL A 35 -6.746 0.847 -3.574 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.971 0.395 -2.348 1.00 0.00 C ATOM 540 CG2 VAL A 35 -5.941 1.885 -4.345 1.00 0.00 C ATOM 0 H VAL A 35 -5.489 -0.277 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.498 -1.146 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.680 1.310 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.727 1.261 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.578 -0.302 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.051 -0.098 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.707 2.724 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.015 1.435 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.524 2.240 -5.195 1.00 0.00 H new ATOM 550 N LYS A 36 -9.284 -0.698 -5.466 1.00 0.00 N ATOM 551 CA LYS A 36 -10.345 -0.421 -6.407 1.00 0.00 C ATOM 552 C LYS A 36 -11.255 0.647 -5.830 1.00 0.00 C ATOM 553 O LYS A 36 -11.505 0.672 -4.626 1.00 0.00 O ATOM 554 CB LYS A 36 -11.127 -1.690 -6.750 1.00 0.00 C ATOM 555 CG LYS A 36 -12.075 -1.504 -7.921 1.00 0.00 C ATOM 556 CD LYS A 36 -12.547 -2.831 -8.486 1.00 0.00 C ATOM 557 CE LYS A 36 -13.401 -2.622 -9.722 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.745 -3.903 -10.390 1.00 0.00 N ATOM 0 H LYS A 36 -9.474 -1.461 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.911 -0.055 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.425 -2.491 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.696 -2.007 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.937 -0.919 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.576 -0.933 -8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.686 -3.451 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.120 -3.369 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.318 -2.102 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.870 -1.979 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.329 -3.711 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.872 -4.389 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.275 -4.507 -9.730 1.00 0.00 H new ATOM 572 N THR A 37 -11.724 1.533 -6.686 1.00 0.00 N ATOM 573 CA THR A 37 -12.466 2.698 -6.254 1.00 0.00 C ATOM 574 C THR A 37 -13.759 2.843 -7.050 1.00 0.00 C ATOM 575 O THR A 37 -14.052 2.025 -7.922 1.00 0.00 O ATOM 576 CB THR A 37 -11.610 3.970 -6.434 1.00 0.00 C ATOM 577 OG1 THR A 37 -11.168 4.076 -7.795 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.401 3.955 -5.506 1.00 0.00 C ATOM 0 H THR A 37 -11.602 1.465 -7.696 1.00 0.00 H new ATOM 0 HA THR A 37 -12.713 2.570 -5.200 1.00 0.00 H new ATOM 0 HB THR A 37 -12.229 4.831 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.332 3.229 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.817 4.863 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.738 3.906 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.783 3.085 -5.728 1.00 0.00 H new ATOM 586 N GLU A 38 -14.532 3.874 -6.738 1.00 0.00 N ATOM 587 CA GLU A 38 -15.740 4.181 -7.492 1.00 0.00 C ATOM 588 C GLU A 38 -15.778 5.665 -7.825 1.00 0.00 C ATOM 589 O GLU A 38 -15.588 6.509 -6.946 1.00 0.00 O ATOM 590 CB GLU A 38 -16.999 3.791 -6.716 1.00 0.00 C ATOM 591 CG GLU A 38 -17.121 2.302 -6.447 1.00 0.00 C ATOM 592 CD GLU A 38 -18.426 1.935 -5.774 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.704 2.466 -4.683 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.173 1.105 -6.328 1.00 0.00 O ATOM 0 H GLU A 38 -14.344 4.514 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.718 3.599 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.007 4.324 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.875 4.122 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.037 1.759 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.290 1.981 -5.819 1.00 0.00 H new ATOM 601 N GLY A 39 -16.021 5.978 -9.088 1.00 0.00 N ATOM 602 CA GLY A 39 -16.034 7.357 -9.524 1.00 0.00 C ATOM 603 C GLY A 39 -15.146 7.564 -10.729 1.00 0.00 C ATOM 604 O GLY A 39 -15.053 6.689 -11.587 1.00 0.00 O ATOM 0 H GLY A 39 -16.211 5.296 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.054 7.653 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.701 8.001 -8.710 1.00 0.00 H new ATOM 608 N TYR A 40 -14.490 8.711 -10.796 1.00 0.00 N ATOM 609 CA TYR A 40 -13.575 9.000 -11.892 1.00 0.00 C ATOM 610 C TYR A 40 -12.295 9.629 -11.371 1.00 0.00 C ATOM 611 O TYR A 40 -12.262 10.166 -10.262 1.00 0.00 O ATOM 612 CB TYR A 40 -14.229 9.921 -12.924 1.00 0.00 C ATOM 613 CG TYR A 40 -15.301 9.243 -13.742 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.971 8.261 -14.665 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.640 9.576 -13.588 1.00 0.00 C ATOM 616 CE1 TYR A 40 -15.942 7.631 -15.415 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.619 8.950 -14.334 1.00 0.00 C ATOM 618 CZ TYR A 40 -17.264 7.979 -15.245 1.00 0.00 C ATOM 619 OH TYR A 40 -18.233 7.352 -15.995 1.00 0.00 O ATOM 0 H TYR A 40 -14.573 9.458 -10.106 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.330 8.056 -12.378 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.663 10.779 -12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.461 10.306 -13.594 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.935 7.985 -14.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.920 10.336 -12.874 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.668 6.870 -16.131 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.657 9.220 -14.204 1.00 0.00 H new ATOM 0 HH TYR A 40 -19.114 7.709 -15.756 1.00 0.00 H new ATOM 629 N ASN A 41 -11.239 9.537 -12.162 1.00 0.00 N ATOM 630 CA ASN A 41 -9.957 10.123 -11.799 1.00 0.00 C ATOM 631 C ASN A 41 -9.639 11.285 -12.738 1.00 0.00 C ATOM 632 O ASN A 41 -9.099 11.077 -13.822 1.00 0.00 O ATOM 633 CB ASN A 41 -8.833 9.078 -11.881 1.00 0.00 C ATOM 634 CG ASN A 41 -9.163 7.762 -11.188 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.720 6.698 -11.621 1.00 0.00 O ATOM 636 ND2 ASN A 41 -9.936 7.815 -10.115 1.00 0.00 N ATOM 0 H ASN A 41 -11.243 9.060 -13.064 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.023 10.483 -10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.610 8.880 -12.929 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.929 9.495 -11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.181 6.957 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.286 8.713 -9.783 1.00 0.00 H new ATOM 643 N PRO A 42 -10.005 12.518 -12.356 1.00 0.00 N ATOM 644 CA PRO A 42 -9.773 13.693 -13.193 1.00 0.00 C ATOM 645 C PRO A 42 -8.333 14.208 -13.109 1.00 0.00 C ATOM 646 O PRO A 42 -7.527 13.978 -14.012 1.00 0.00 O ATOM 647 CB PRO A 42 -10.761 14.719 -12.641 1.00 0.00 C ATOM 648 CG PRO A 42 -10.984 14.333 -11.213 1.00 0.00 C ATOM 649 CD PRO A 42 -10.691 12.858 -11.095 1.00 0.00 C ATOM 0 HA PRO A 42 -9.917 13.475 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.360 15.730 -12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.696 14.705 -13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.334 14.908 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.010 14.546 -10.913 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.062 12.646 -10.231 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.607 12.280 -10.972 1.00 0.00 H new ATOM 657 N SER A 43 -8.008 14.893 -12.023 1.00 0.00 N ATOM 658 CA SER A 43 -6.670 15.417 -11.819 1.00 0.00 C ATOM 659 C SER A 43 -5.951 14.616 -10.738 1.00 0.00 C ATOM 660 O SER A 43 -5.016 15.098 -10.097 1.00 0.00 O ATOM 661 CB SER A 43 -6.751 16.897 -11.442 1.00 0.00 C ATOM 662 OG SER A 43 -7.720 17.111 -10.429 1.00 0.00 O ATOM 0 H SER A 43 -8.659 15.099 -11.266 1.00 0.00 H new ATOM 0 HA SER A 43 -6.099 15.324 -12.743 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.776 17.242 -11.097 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.004 17.487 -12.323 1.00 0.00 H new ATOM 0 HG SER A 43 -7.752 18.064 -10.203 1.00 0.00 H new ATOM 668 N ILE A 44 -6.392 13.380 -10.555 1.00 0.00 N ATOM 669 CA ILE A 44 -5.818 12.499 -9.552 1.00 0.00 C ATOM 670 C ILE A 44 -4.517 11.888 -10.063 1.00 0.00 C ATOM 671 O ILE A 44 -4.519 11.091 -11.000 1.00 0.00 O ATOM 672 CB ILE A 44 -6.809 11.375 -9.173 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.085 11.971 -8.568 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.170 10.387 -8.208 1.00 0.00 C ATOM 675 CD1 ILE A 44 -7.842 12.805 -7.327 1.00 0.00 C ATOM 0 H ILE A 44 -7.152 12.963 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.609 13.094 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.074 10.834 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.578 12.589 -9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.772 11.161 -8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.889 9.607 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.294 9.937 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.869 10.909 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.791 13.192 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.378 12.187 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.181 13.637 -7.571 1.00 0.00 H new ATOM 687 N ASN A 45 -3.407 12.278 -9.453 1.00 0.00 N ATOM 688 CA ASN A 45 -2.103 11.791 -9.874 1.00 0.00 C ATOM 689 C ASN A 45 -1.728 10.545 -9.090 1.00 0.00 C ATOM 690 O ASN A 45 -1.422 10.614 -7.897 1.00 0.00 O ATOM 691 CB ASN A 45 -1.026 12.862 -9.689 1.00 0.00 C ATOM 692 CG ASN A 45 -1.370 14.168 -10.376 1.00 0.00 C ATOM 693 OD1 ASN A 45 -1.099 14.355 -11.564 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.963 15.084 -9.630 1.00 0.00 N ATOM 0 H ASN A 45 -3.384 12.928 -8.667 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.165 11.545 -10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.881 13.044 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.079 12.490 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.214 15.986 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.170 14.888 -8.650 1.00 0.00 H new ATOM 701 N VAL A 46 -1.750 9.407 -9.767 1.00 0.00 N ATOM 702 CA VAL A 46 -1.410 8.133 -9.143 1.00 0.00 C ATOM 703 C VAL A 46 0.062 8.113 -8.729 1.00 0.00 C ATOM 704 O VAL A 46 0.464 7.363 -7.845 1.00 0.00 O ATOM 705 CB VAL A 46 -1.698 6.954 -10.100 1.00 0.00 C ATOM 706 CG1 VAL A 46 -1.527 5.622 -9.388 1.00 0.00 C ATOM 707 CG2 VAL A 46 -3.098 7.072 -10.689 1.00 0.00 C ATOM 0 H VAL A 46 -2.001 9.338 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.032 8.021 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.976 6.996 -10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.735 4.809 -10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.504 5.534 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.219 5.567 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.282 6.233 -11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.833 7.061 -9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.181 8.006 -11.245 1.00 0.00 H new ATOM 717 N ASN A 47 0.851 8.969 -9.365 1.00 0.00 N ATOM 718 CA ASN A 47 2.276 9.081 -9.066 1.00 0.00 C ATOM 719 C ASN A 47 2.496 9.887 -7.789 1.00 0.00 C ATOM 720 O ASN A 47 3.592 9.897 -7.230 1.00 0.00 O ATOM 721 CB ASN A 47 3.004 9.769 -10.227 1.00 0.00 C ATOM 722 CG ASN A 47 2.756 9.096 -11.564 1.00 0.00 C ATOM 723 OD1 ASN A 47 1.746 9.356 -12.219 1.00 0.00 O ATOM 724 ND2 ASN A 47 3.685 8.259 -11.998 1.00 0.00 N ATOM 0 H ASN A 47 0.527 9.601 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 47 2.674 8.076 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.683 10.809 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.075 9.777 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.578 7.804 -12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.508 8.069 -11.426 1.00 0.00 H new ATOM 731 N GLU A 48 1.448 10.562 -7.333 1.00 0.00 N ATOM 732 CA GLU A 48 1.553 11.454 -6.186 1.00 0.00 C ATOM 733 C GLU A 48 0.905 10.829 -4.951 1.00 0.00 C ATOM 734 O GLU A 48 1.258 11.153 -3.817 1.00 0.00 O ATOM 735 CB GLU A 48 0.905 12.799 -6.530 1.00 0.00 C ATOM 736 CG GLU A 48 1.133 13.888 -5.496 1.00 0.00 C ATOM 737 CD GLU A 48 0.791 15.266 -6.023 1.00 0.00 C ATOM 738 OE1 GLU A 48 -0.382 15.683 -5.917 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.698 15.944 -6.548 1.00 0.00 O ATOM 0 H GLU A 48 0.515 10.508 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 48 2.605 11.618 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.292 13.140 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.168 12.651 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.528 13.679 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.176 13.872 -5.179 1.00 0.00 H new ATOM 746 N LEU A 49 -0.036 9.922 -5.178 1.00 0.00 N ATOM 747 CA LEU A 49 -0.717 9.242 -4.083 1.00 0.00 C ATOM 748 C LEU A 49 -0.002 7.938 -3.752 1.00 0.00 C ATOM 749 O LEU A 49 0.436 7.224 -4.653 1.00 0.00 O ATOM 750 CB LEU A 49 -2.171 8.948 -4.455 1.00 0.00 C ATOM 751 CG LEU A 49 -2.961 10.137 -5.003 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.399 9.736 -5.267 1.00 0.00 C ATOM 753 CD2 LEU A 49 -2.904 11.317 -4.044 1.00 0.00 C ATOM 0 H LEU A 49 -0.345 9.640 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.701 9.895 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.184 8.151 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.685 8.568 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.505 10.445 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.950 10.592 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.423 8.926 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.860 9.401 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.474 12.149 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.331 11.027 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.867 11.622 -3.903 1.00 0.00 H new ATOM 765 N PHE A 50 0.124 7.627 -2.468 1.00 0.00 N ATOM 766 CA PHE A 50 0.822 6.418 -2.056 1.00 0.00 C ATOM 767 C PHE A 50 0.075 5.669 -0.957 1.00 0.00 C ATOM 768 O PHE A 50 -0.976 6.105 -0.470 1.00 0.00 O ATOM 769 CB PHE A 50 2.238 6.754 -1.566 1.00 0.00 C ATOM 770 CG PHE A 50 3.139 7.317 -2.629 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.727 6.484 -3.568 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.402 8.675 -2.686 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.557 6.997 -4.544 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.232 9.193 -3.660 1.00 0.00 C ATOM 775 CZ PHE A 50 4.812 8.353 -4.590 1.00 0.00 C ATOM 0 H PHE A 50 -0.244 8.190 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 50 0.877 5.771 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.167 7.471 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.694 5.851 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.534 5.422 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.953 9.337 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.007 6.338 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.428 10.255 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.463 8.756 -5.351 1.00 0.00 H new ATOM 785 N ALA A 51 0.631 4.524 -0.592 1.00 0.00 N ATOM 786 CA ALA A 51 0.162 3.749 0.541 1.00 0.00 C ATOM 787 C ALA A 51 1.320 3.564 1.507 1.00 0.00 C ATOM 788 O ALA A 51 2.428 3.243 1.089 1.00 0.00 O ATOM 789 CB ALA A 51 -0.380 2.403 0.085 1.00 0.00 C ATOM 0 H ALA A 51 1.425 4.106 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.652 4.277 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.726 1.838 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.211 2.559 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.409 1.845 -0.420 1.00 0.00 H new ATOM 795 N TYR A 52 1.079 3.777 2.784 1.00 0.00 N ATOM 796 CA TYR A 52 2.155 3.771 3.762 1.00 0.00 C ATOM 797 C TYR A 52 1.927 2.733 4.850 1.00 0.00 C ATOM 798 O TYR A 52 0.798 2.506 5.287 1.00 0.00 O ATOM 799 CB TYR A 52 2.323 5.169 4.377 1.00 0.00 C ATOM 800 CG TYR A 52 1.024 5.829 4.795 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.258 6.537 3.876 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.563 5.744 6.103 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.928 7.140 4.247 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.622 6.346 6.480 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.364 7.041 5.548 1.00 0.00 C ATOM 806 OH TYR A 52 -2.549 7.638 5.919 1.00 0.00 O ATOM 0 H TYR A 52 0.152 3.956 3.171 1.00 0.00 H new ATOM 0 HA TYR A 52 3.073 3.499 3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.975 5.094 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.827 5.812 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.596 6.617 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.140 5.199 6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.510 7.686 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.966 6.273 7.501 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.714 7.473 6.871 1.00 0.00 H new ATOM 816 N VAL A 53 3.008 2.088 5.262 1.00 0.00 N ATOM 817 CA VAL A 53 2.969 1.147 6.369 1.00 0.00 C ATOM 818 C VAL A 53 3.793 1.674 7.536 1.00 0.00 C ATOM 819 O VAL A 53 4.993 1.930 7.402 1.00 0.00 O ATOM 820 CB VAL A 53 3.476 -0.259 5.963 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.445 -0.969 5.102 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.809 -0.175 5.229 1.00 0.00 C ATOM 0 H VAL A 53 3.930 2.201 4.841 1.00 0.00 H new ATOM 0 HA VAL A 53 1.926 1.047 6.669 1.00 0.00 H new ATOM 0 HB VAL A 53 3.628 -0.835 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.818 -1.955 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.516 -1.076 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.260 -0.386 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.139 -1.178 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.690 0.425 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.553 0.288 5.877 1.00 0.00 H new ATOM 832 N ASP A 54 3.139 1.871 8.671 1.00 0.00 N ATOM 833 CA ASP A 54 3.818 2.349 9.869 1.00 0.00 C ATOM 834 C ASP A 54 4.649 1.238 10.488 1.00 0.00 C ATOM 835 O ASP A 54 4.125 0.361 11.174 1.00 0.00 O ATOM 836 CB ASP A 54 2.816 2.887 10.897 1.00 0.00 C ATOM 837 CG ASP A 54 2.427 4.331 10.646 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.199 5.231 11.030 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.341 4.581 10.078 1.00 0.00 O ATOM 0 H ASP A 54 2.139 1.708 8.789 1.00 0.00 H new ATOM 0 HA ASP A 54 4.478 3.165 9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.920 2.267 10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.246 2.801 11.895 1.00 0.00 H new ATOM 844 N LEU A 55 5.949 1.273 10.237 1.00 0.00 N ATOM 845 CA LEU A 55 6.855 0.259 10.761 1.00 0.00 C ATOM 846 C LEU A 55 7.397 0.666 12.125 1.00 0.00 C ATOM 847 O LEU A 55 8.548 0.377 12.461 1.00 0.00 O ATOM 848 CB LEU A 55 8.003 0.006 9.779 1.00 0.00 C ATOM 849 CG LEU A 55 7.590 -0.665 8.465 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.809 -1.027 7.633 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.758 -1.902 8.747 1.00 0.00 C ATOM 0 H LEU A 55 6.402 1.993 9.673 1.00 0.00 H new ATOM 0 HA LEU A 55 6.294 -0.667 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.482 0.958 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.751 -0.617 10.269 1.00 0.00 H new ATOM 0 HG LEU A 55 6.988 0.043 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.489 -1.502 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.373 -0.123 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.441 -1.716 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.471 -2.370 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.343 -2.607 9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.862 -1.620 9.300 1.00 0.00 H new ATOM 863 N SER A 56 6.549 1.314 12.915 1.00 0.00 N ATOM 864 CA SER A 56 6.901 1.710 14.269 1.00 0.00 C ATOM 865 C SER A 56 7.215 0.485 15.120 1.00 0.00 C ATOM 866 O SER A 56 8.143 0.495 15.930 1.00 0.00 O ATOM 867 CB SER A 56 5.757 2.524 14.871 1.00 0.00 C ATOM 868 OG SER A 56 4.502 2.071 14.381 1.00 0.00 O ATOM 0 H SER A 56 5.604 1.577 12.635 1.00 0.00 H new ATOM 0 HA SER A 56 7.797 2.330 14.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.779 2.442 15.958 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.888 3.578 14.628 1.00 0.00 H new ATOM 0 HG SER A 56 3.783 2.604 14.780 1.00 0.00 H new ATOM 874 N GLY A 57 6.444 -0.575 14.914 1.00 0.00 N ATOM 875 CA GLY A 57 6.743 -1.846 15.542 1.00 0.00 C ATOM 876 C GLY A 57 7.874 -2.545 14.819 1.00 0.00 C ATOM 877 O GLY A 57 7.668 -3.557 14.151 1.00 0.00 O ATOM 0 H GLY A 57 5.614 -0.576 14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.015 -1.687 16.586 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.855 -2.478 15.537 1.00 0.00 H new ATOM 881 N SER A 58 9.066 -1.980 14.941 1.00 0.00 N ATOM 882 CA SER A 58 10.221 -2.438 14.193 1.00 0.00 C ATOM 883 C SER A 58 10.751 -3.767 14.724 1.00 0.00 C ATOM 884 O SER A 58 11.665 -3.803 15.550 1.00 0.00 O ATOM 885 CB SER A 58 11.312 -1.372 14.250 1.00 0.00 C ATOM 886 OG SER A 58 10.771 -0.083 13.994 1.00 0.00 O ATOM 0 H SER A 58 9.257 -1.193 15.561 1.00 0.00 H new ATOM 0 HA SER A 58 9.916 -2.602 13.159 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.787 -1.384 15.231 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.087 -1.598 13.517 1.00 0.00 H new ATOM 0 HG SER A 58 9.980 -0.168 13.422 1.00 0.00 H new ATOM 892 N GLU A 59 10.151 -4.855 14.265 1.00 0.00 N ATOM 893 CA GLU A 59 10.607 -6.188 14.616 1.00 0.00 C ATOM 894 C GLU A 59 11.267 -6.858 13.419 1.00 0.00 C ATOM 895 O GLU A 59 10.623 -7.079 12.388 1.00 0.00 O ATOM 896 CB GLU A 59 9.441 -7.045 15.103 1.00 0.00 C ATOM 897 CG GLU A 59 8.865 -6.609 16.436 1.00 0.00 C ATOM 898 CD GLU A 59 7.766 -7.535 16.905 1.00 0.00 C ATOM 899 OE1 GLU A 59 8.061 -8.716 17.185 1.00 0.00 O ATOM 900 OE2 GLU A 59 6.603 -7.089 16.992 1.00 0.00 O ATOM 0 H GLU A 59 9.342 -4.838 13.644 1.00 0.00 H new ATOM 0 HA GLU A 59 11.337 -6.094 15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.650 -7.023 14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.774 -8.080 15.185 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.659 -6.580 17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.473 -5.596 16.348 1.00 0.00 H new ATOM 907 N PRO A 60 12.560 -7.184 13.533 1.00 0.00 N ATOM 908 CA PRO A 60 13.305 -7.860 12.472 1.00 0.00 C ATOM 909 C PRO A 60 12.822 -9.291 12.251 1.00 0.00 C ATOM 910 O PRO A 60 13.150 -10.199 13.015 1.00 0.00 O ATOM 911 CB PRO A 60 14.757 -7.850 12.970 1.00 0.00 C ATOM 912 CG PRO A 60 14.783 -6.887 14.110 1.00 0.00 C ATOM 913 CD PRO A 60 13.406 -6.915 14.704 1.00 0.00 C ATOM 0 HA PRO A 60 13.178 -7.362 11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.069 -8.844 13.290 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.441 -7.540 12.179 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.532 -7.175 14.847 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.041 -5.884 13.769 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.307 -7.691 15.463 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.150 -5.969 15.181 1.00 0.00 H new ATOM 921 N GLY A 61 12.018 -9.471 11.217 1.00 0.00 N ATOM 922 CA GLY A 61 11.491 -10.775 10.878 1.00 0.00 C ATOM 923 C GLY A 61 10.248 -10.646 10.026 1.00 0.00 C ATOM 924 O GLY A 61 9.794 -9.528 9.766 1.00 0.00 O ATOM 0 H GLY A 61 11.716 -8.721 10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.247 -11.350 10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.258 -11.326 11.789 1.00 0.00 H new ATOM 928 N GLU A 62 9.691 -11.769 9.597 1.00 0.00 N ATOM 929 CA GLU A 62 8.478 -11.756 8.788 1.00 0.00 C ATOM 930 C GLU A 62 7.267 -11.432 9.654 1.00 0.00 C ATOM 931 O GLU A 62 6.742 -12.296 10.361 1.00 0.00 O ATOM 932 CB GLU A 62 8.276 -13.100 8.083 1.00 0.00 C ATOM 933 CG GLU A 62 9.372 -13.440 7.090 1.00 0.00 C ATOM 934 CD GLU A 62 9.060 -14.684 6.285 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.300 -14.584 5.298 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.568 -15.769 6.637 1.00 0.00 O ATOM 0 H GLU A 62 10.058 -12.700 9.794 1.00 0.00 H new ATOM 0 HA GLU A 62 8.587 -10.983 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.220 -13.889 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.318 -13.087 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.517 -12.599 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.311 -13.583 7.625 1.00 0.00 H new ATOM 943 N HIS A 63 6.840 -10.180 9.613 1.00 0.00 N ATOM 944 CA HIS A 63 5.717 -9.729 10.422 1.00 0.00 C ATOM 945 C HIS A 63 4.650 -9.090 9.546 1.00 0.00 C ATOM 946 O HIS A 63 4.960 -8.438 8.549 1.00 0.00 O ATOM 947 CB HIS A 63 6.181 -8.738 11.495 1.00 0.00 C ATOM 948 CG HIS A 63 7.080 -9.343 12.530 1.00 0.00 C ATOM 949 ND1 HIS A 63 8.456 -9.306 12.449 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.792 -10.007 13.672 1.00 0.00 C ATOM 951 CE1 HIS A 63 8.973 -9.926 13.493 1.00 0.00 C ATOM 952 NE2 HIS A 63 7.987 -10.361 14.251 1.00 0.00 N ATOM 0 H HIS A 63 7.255 -9.456 9.027 1.00 0.00 H new ATOM 0 HA HIS A 63 5.288 -10.600 10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.703 -7.912 11.012 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.306 -8.316 11.989 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.991 -8.868 11.699 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.806 -10.220 14.058 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.027 -10.055 13.692 1.00 0.00 H new ATOM 961 N ASP A 64 3.396 -9.296 9.915 1.00 0.00 N ATOM 962 CA ASP A 64 2.273 -8.755 9.160 1.00 0.00 C ATOM 963 C ASP A 64 1.909 -7.365 9.659 1.00 0.00 C ATOM 964 O ASP A 64 1.478 -7.198 10.802 1.00 0.00 O ATOM 965 CB ASP A 64 1.056 -9.680 9.261 1.00 0.00 C ATOM 966 CG ASP A 64 1.239 -10.980 8.506 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.928 -11.020 7.299 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.693 -11.973 9.117 1.00 0.00 O ATOM 0 H ASP A 64 3.128 -9.837 10.737 1.00 0.00 H new ATOM 0 HA ASP A 64 2.575 -8.685 8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.859 -9.900 10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.179 -9.161 8.874 1.00 0.00 H new ATOM 973 N TYR A 65 2.084 -6.369 8.803 1.00 0.00 N ATOM 974 CA TYR A 65 1.804 -4.987 9.168 1.00 0.00 C ATOM 975 C TYR A 65 0.593 -4.458 8.406 1.00 0.00 C ATOM 976 O TYR A 65 0.160 -5.056 7.417 1.00 0.00 O ATOM 977 CB TYR A 65 3.027 -4.105 8.901 1.00 0.00 C ATOM 978 CG TYR A 65 4.250 -4.514 9.691 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.371 -4.190 11.036 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.280 -5.229 9.093 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.484 -4.569 11.764 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.396 -5.609 9.813 1.00 0.00 C ATOM 983 CZ TYR A 65 6.493 -5.278 11.147 1.00 0.00 C ATOM 984 OH TYR A 65 7.601 -5.664 11.869 1.00 0.00 O ATOM 0 H TYR A 65 2.420 -6.492 7.848 1.00 0.00 H new ATOM 0 HA TYR A 65 1.577 -4.957 10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.264 -4.138 7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.779 -3.071 9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.583 -3.633 11.521 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.207 -5.492 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.563 -4.311 12.810 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.189 -6.163 9.332 1.00 0.00 H new ATOM 0 HH TYR A 65 7.677 -5.109 12.673 1.00 0.00 H new ATOM 994 N GLU A 66 0.056 -3.339 8.873 1.00 0.00 N ATOM 995 CA GLU A 66 -1.148 -2.755 8.293 1.00 0.00 C ATOM 996 C GLU A 66 -0.806 -1.778 7.176 1.00 0.00 C ATOM 997 O GLU A 66 0.050 -0.908 7.343 1.00 0.00 O ATOM 998 CB GLU A 66 -1.947 -2.025 9.371 1.00 0.00 C ATOM 999 CG GLU A 66 -2.371 -2.908 10.528 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.050 -2.120 11.627 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -4.230 -1.745 11.455 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -2.410 -1.869 12.665 1.00 0.00 O ATOM 0 H GLU A 66 0.438 -2.813 9.659 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.743 -3.567 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.348 -1.200 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.836 -1.588 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.049 -3.680 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.497 -3.417 10.934 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.479 -1.926 6.045 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.323 -1.003 4.934 1.00 0.00 C ATOM 1011 C VAL A 67 -2.324 0.138 5.057 1.00 0.00 C ATOM 1012 O VAL A 67 -3.534 -0.089 5.145 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.524 -1.709 3.575 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.358 -0.728 2.423 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.556 -2.869 3.428 1.00 0.00 C ATOM 0 H VAL A 67 -2.142 -2.682 5.873 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.306 -0.613 4.973 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.541 -2.100 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.504 -1.249 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.095 0.070 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.356 -0.301 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.713 -3.354 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.467 -2.498 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.727 -3.589 4.228 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.820 1.363 5.084 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.674 2.536 5.160 1.00 0.00 C ATOM 1027 C LYS A 68 -2.603 3.320 3.855 1.00 0.00 C ATOM 1028 O LYS A 68 -1.571 3.904 3.526 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.258 3.428 6.329 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.235 2.719 7.674 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.719 3.641 8.767 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.577 2.918 10.095 1.00 0.00 C ATOM 1033 NZ LYS A 68 -0.984 3.799 11.134 1.00 0.00 N ATOM 0 H LYS A 68 -0.822 1.569 5.054 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.700 2.207 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.267 3.834 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.943 4.274 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.239 2.377 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.602 1.833 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.753 4.050 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.400 4.484 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.555 2.569 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.951 2.035 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.698 3.226 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.151 4.285 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.687 4.504 11.434 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.691 3.311 3.107 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.762 4.024 1.840 1.00 0.00 C ATOM 1049 C VAL A 69 -4.277 5.442 2.067 1.00 0.00 C ATOM 1050 O VAL A 69 -5.140 5.657 2.920 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.693 3.298 0.843 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.685 3.983 -0.517 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.301 1.835 0.708 1.00 0.00 C ATOM 0 H VAL A 69 -4.546 2.814 3.356 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.757 4.058 1.418 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.708 3.348 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.349 3.450 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.027 5.012 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.673 3.978 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.969 1.343 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.275 1.765 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.377 1.347 1.680 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.733 6.407 1.329 1.00 0.00 N ATOM 1064 CA GLU A 70 -4.218 7.781 1.401 1.00 0.00 C ATOM 1065 C GLU A 70 -5.620 7.889 0.803 1.00 0.00 C ATOM 1066 O GLU A 70 -5.812 7.633 -0.386 1.00 0.00 O ATOM 1067 CB GLU A 70 -3.275 8.731 0.663 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.901 8.844 1.291 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.021 9.838 0.567 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.291 11.052 0.668 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.058 9.410 -0.103 1.00 0.00 O ATOM 0 H GLU A 70 -2.961 6.263 0.678 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.254 8.065 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.166 8.391 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.729 9.721 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.004 9.145 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.420 7.866 1.287 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.616 8.268 1.618 1.00 0.00 N ATOM 1079 CA PRO A 71 -8.001 8.410 1.167 1.00 0.00 C ATOM 1080 C PRO A 71 -8.180 9.619 0.254 1.00 0.00 C ATOM 1081 O PRO A 71 -7.659 10.703 0.532 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.801 8.602 2.465 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.849 8.292 3.574 1.00 0.00 C ATOM 1084 CD PRO A 71 -6.479 8.588 3.042 1.00 0.00 C ATOM 0 HA PRO A 71 -8.325 7.548 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.178 9.622 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.666 7.939 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.065 8.899 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.932 7.249 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.199 9.630 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.716 7.977 3.524 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.913 9.432 -0.831 1.00 0.00 N ATOM 1093 CA ILE A 72 -9.150 10.502 -1.783 1.00 0.00 C ATOM 1094 C ILE A 72 -10.533 11.100 -1.550 1.00 0.00 C ATOM 1095 O ILE A 72 -11.540 10.414 -1.714 1.00 0.00 O ATOM 1096 CB ILE A 72 -9.062 10.022 -3.256 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.746 9.286 -3.539 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.206 11.203 -4.204 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.759 7.819 -3.156 1.00 0.00 C ATOM 0 H ILE A 72 -9.355 8.546 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.369 11.245 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.880 9.320 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.517 9.371 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.941 9.784 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.142 10.853 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.171 11.683 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.408 11.921 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.792 7.374 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.955 7.724 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.540 7.304 -3.716 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.606 12.391 -1.191 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.881 13.062 -0.908 1.00 0.00 C ATOM 1113 C PRO A 73 -12.642 13.422 -2.178 1.00 0.00 C ATOM 1114 O PRO A 73 -13.457 14.342 -2.199 1.00 0.00 O ATOM 1115 CB PRO A 73 -11.450 14.318 -0.155 1.00 0.00 C ATOM 1116 CG PRO A 73 -10.092 14.626 -0.688 1.00 0.00 C ATOM 1117 CD PRO A 73 -9.456 13.301 -1.027 1.00 0.00 C ATOM 0 HA PRO A 73 -12.567 12.428 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.141 15.142 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.424 14.146 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.157 15.263 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.498 15.164 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.862 13.364 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.788 12.963 -0.234 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.365 12.674 -3.226 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.006 12.870 -4.521 1.00 0.00 C ATOM 1127 C ASN A 74 -13.461 11.535 -5.099 1.00 0.00 C ATOM 1128 O ASN A 74 -14.172 11.494 -6.105 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.039 13.543 -5.506 1.00 0.00 C ATOM 1130 CG ASN A 74 -11.630 14.940 -5.079 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -12.407 15.675 -4.472 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -10.401 15.318 -5.394 1.00 0.00 N ATOM 0 H ASN A 74 -11.689 11.910 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.873 13.513 -4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.147 12.925 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.507 13.593 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.070 16.247 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.785 14.680 -5.898 1.00 0.00 H new ATOM 1139 N ILE A 75 -13.054 10.441 -4.459 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.290 9.107 -4.996 1.00 0.00 C ATOM 1141 C ILE A 75 -13.651 8.142 -3.869 1.00 0.00 C ATOM 1142 O ILE A 75 -13.117 8.244 -2.761 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.036 8.565 -5.730 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.465 9.606 -6.698 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.378 7.292 -6.488 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.116 9.227 -7.267 1.00 0.00 C ATOM 0 H ILE A 75 -12.559 10.454 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.113 9.181 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.279 8.345 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.168 9.752 -7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.377 10.561 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.489 6.922 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.735 6.536 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.156 7.503 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.774 10.010 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.398 9.110 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.202 8.288 -7.813 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.555 7.214 -4.152 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.939 6.194 -3.181 1.00 0.00 C ATOM 1160 C LYS A 76 -13.909 5.070 -3.179 1.00 0.00 C ATOM 1161 O LYS A 76 -13.086 4.986 -4.087 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.314 5.627 -3.530 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.399 6.680 -3.669 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.698 6.056 -4.146 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.289 5.126 -3.101 1.00 0.00 C ATOM 1166 NZ LYS A 76 -20.360 4.267 -3.672 1.00 0.00 N ATOM 0 H LYS A 76 -15.038 7.145 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.982 6.648 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.240 5.071 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.609 4.916 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.558 7.174 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.079 7.448 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.415 6.842 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.519 5.502 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.501 4.498 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.694 5.714 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.854 3.770 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.038 4.858 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.938 3.571 -4.319 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.965 4.196 -2.184 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.997 3.110 -2.080 1.00 0.00 C ATOM 1182 C ILE A 77 -13.708 1.768 -1.885 1.00 0.00 C ATOM 1183 O ILE A 77 -14.663 1.661 -1.117 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.986 3.361 -0.933 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.883 2.296 -0.940 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -12.691 3.394 0.418 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.794 2.546 0.081 1.00 0.00 C ATOM 0 H ILE A 77 -14.664 4.216 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.438 3.075 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.525 4.335 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.330 1.320 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.436 2.254 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.959 3.572 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -13.431 4.194 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -13.188 2.440 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.048 1.753 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.320 3.507 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.228 2.558 1.081 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.255 0.756 -2.606 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.894 -0.553 -2.573 1.00 0.00 C ATOM 1201 C VAL A 78 -12.964 -1.611 -1.996 1.00 0.00 C ATOM 1202 O VAL A 78 -13.317 -2.317 -1.052 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.321 -0.998 -3.985 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.138 -2.280 -3.933 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.091 0.107 -4.684 1.00 0.00 C ATOM 0 H VAL A 78 -12.445 0.814 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.773 -0.456 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.419 -1.203 -4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.425 -2.570 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.541 -3.074 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.034 -2.116 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.384 -0.227 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.983 0.351 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.461 0.992 -4.769 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.775 -1.717 -2.571 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.845 -2.770 -2.194 1.00 0.00 C ATOM 1217 C GLU A 79 -9.519 -2.193 -1.735 1.00 0.00 C ATOM 1218 O GLU A 79 -9.048 -1.194 -2.277 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.586 -3.715 -3.371 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.831 -4.393 -3.913 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.508 -5.397 -4.999 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.365 -4.994 -6.171 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.390 -6.600 -4.686 1.00 0.00 O ATOM 0 H GLU A 79 -11.433 -1.089 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.302 -3.322 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.113 -3.153 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.877 -4.481 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.352 -4.896 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.511 -3.638 -4.309 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.938 -2.823 -0.730 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.576 -2.533 -0.319 1.00 0.00 C ATOM 1232 C ILE A 80 -6.777 -3.827 -0.367 1.00 0.00 C ATOM 1233 O ILE A 80 -6.814 -4.625 0.565 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.504 -1.933 1.104 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.409 -0.702 1.217 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.064 -1.567 1.452 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.463 -0.111 2.610 1.00 0.00 C ATOM 0 H ILE A 80 -9.395 -3.548 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.164 -1.788 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.855 -2.683 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.058 0.061 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.418 -0.975 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.028 -1.146 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.441 -2.461 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.692 -0.833 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.123 0.757 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.843 -0.857 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.462 0.194 2.915 1.00 0.00 H new ATOM 1249 N SER A 81 -6.107 -4.064 -1.477 1.00 0.00 N ATOM 1250 CA SER A 81 -5.402 -5.314 -1.671 1.00 0.00 C ATOM 1251 C SER A 81 -3.894 -5.097 -1.772 1.00 0.00 C ATOM 1252 O SER A 81 -3.413 -4.503 -2.738 1.00 0.00 O ATOM 1253 CB SER A 81 -5.917 -5.999 -2.934 1.00 0.00 C ATOM 1254 OG SER A 81 -7.320 -6.197 -2.864 1.00 0.00 O ATOM 0 H SER A 81 -6.036 -3.409 -2.256 1.00 0.00 H new ATOM 0 HA SER A 81 -5.588 -5.949 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.674 -5.393 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.416 -6.958 -3.063 1.00 0.00 H new ATOM 0 HG SER A 81 -7.511 -7.153 -2.767 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.117 -5.562 -0.779 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.614 -6.173 0.456 1.00 0.00 C ATOM 1262 C PRO A 82 -3.765 -5.156 1.590 1.00 0.00 C ATOM 1263 O PRO A 82 -3.238 -4.048 1.519 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.509 -7.186 0.801 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.366 -6.900 -0.133 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.662 -5.582 -0.793 1.00 0.00 C ATOM 0 HA PRO A 82 -4.605 -6.610 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.197 -7.082 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.866 -8.208 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.423 -6.856 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.267 -7.691 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.236 -4.744 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.262 -5.533 -1.806 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.487 -5.544 2.633 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.647 -4.701 3.812 1.00 0.00 C ATOM 1276 C ARG A 83 -3.574 -5.037 4.836 1.00 0.00 C ATOM 1277 O ARG A 83 -3.056 -4.164 5.531 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.031 -4.903 4.428 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.165 -4.463 3.522 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.501 -4.999 3.997 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.504 -6.460 4.061 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.592 -7.209 3.897 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.750 -6.647 3.572 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.513 -8.529 4.039 1.00 0.00 N ATOM 0 H ARG A 83 -4.973 -6.439 2.687 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.546 -3.658 3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.161 -5.957 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.088 -4.348 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.201 -3.374 3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.974 -4.809 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.728 -4.591 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.289 -4.662 3.323 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.619 -6.934 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.809 -5.636 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.581 -7.226 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.621 -8.964 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.345 -9.106 3.914 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.253 -6.318 4.919 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.219 -6.798 5.817 1.00 0.00 C ATOM 1300 C VAL A 84 -1.092 -7.429 5.009 1.00 0.00 C ATOM 1301 O VAL A 84 -1.322 -8.367 4.242 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.781 -7.835 6.814 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.702 -8.304 7.772 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.961 -7.257 7.584 1.00 0.00 C ATOM 0 H VAL A 84 -3.700 -7.050 4.368 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.840 -5.948 6.384 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.129 -8.696 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.122 -9.034 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.890 -8.764 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.318 -7.452 8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.342 -8.004 8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.638 -6.376 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.749 -6.977 6.885 1.00 0.00 H new ATOM 1314 N VAL A 85 0.115 -6.906 5.161 1.00 0.00 N ATOM 1315 CA VAL A 85 1.252 -7.394 4.393 1.00 0.00 C ATOM 1316 C VAL A 85 2.315 -8.017 5.289 1.00 0.00 C ATOM 1317 O VAL A 85 2.690 -7.455 6.320 1.00 0.00 O ATOM 1318 CB VAL A 85 1.898 -6.278 3.541 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.991 -5.895 2.386 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.221 -5.058 4.394 1.00 0.00 C ATOM 0 H VAL A 85 0.333 -6.147 5.806 1.00 0.00 H new ATOM 0 HA VAL A 85 0.856 -8.160 3.726 1.00 0.00 H new ATOM 0 HB VAL A 85 2.833 -6.663 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.463 -5.108 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.819 -6.766 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.039 -5.535 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.675 -4.288 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.304 -4.672 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.916 -5.341 5.185 1.00 0.00 H new ATOM 1330 N THR A 86 2.787 -9.187 4.890 1.00 0.00 N ATOM 1331 CA THR A 86 3.871 -9.852 5.588 1.00 0.00 C ATOM 1332 C THR A 86 5.208 -9.299 5.106 1.00 0.00 C ATOM 1333 O THR A 86 5.727 -9.715 4.071 1.00 0.00 O ATOM 1334 CB THR A 86 3.840 -11.374 5.352 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.485 -11.854 5.407 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.679 -12.101 6.393 1.00 0.00 C ATOM 0 H THR A 86 2.433 -9.697 4.081 1.00 0.00 H new ATOM 0 HA THR A 86 3.748 -9.665 6.655 1.00 0.00 H new ATOM 0 HB THR A 86 4.258 -11.573 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.961 -11.286 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.642 -13.174 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.712 -11.758 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.285 -11.892 7.388 1.00 0.00 H new ATOM 1344 N LEU A 87 5.744 -8.339 5.837 1.00 0.00 N ATOM 1345 CA LEU A 87 6.992 -7.708 5.452 1.00 0.00 C ATOM 1346 C LEU A 87 8.170 -8.445 6.068 1.00 0.00 C ATOM 1347 O LEU A 87 8.234 -8.631 7.287 1.00 0.00 O ATOM 1348 CB LEU A 87 7.005 -6.235 5.866 1.00 0.00 C ATOM 1349 CG LEU A 87 5.943 -5.365 5.191 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.040 -3.928 5.679 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.087 -5.423 3.676 1.00 0.00 C ATOM 0 H LEU A 87 5.335 -7.980 6.700 1.00 0.00 H new ATOM 0 HA LEU A 87 7.081 -7.757 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.869 -6.175 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.988 -5.819 5.645 1.00 0.00 H new ATOM 0 HG LEU A 87 4.961 -5.755 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.277 -3.325 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.887 -3.899 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.026 -3.529 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.323 -4.798 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.074 -5.060 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.967 -6.452 3.338 1.00 0.00 H new ATOM 1363 N GLN A 88 9.089 -8.879 5.219 1.00 0.00 N ATOM 1364 CA GLN A 88 10.267 -9.594 5.673 1.00 0.00 C ATOM 1365 C GLN A 88 11.364 -8.618 6.070 1.00 0.00 C ATOM 1366 O GLN A 88 12.140 -8.155 5.230 1.00 0.00 O ATOM 1367 CB GLN A 88 10.777 -10.539 4.585 1.00 0.00 C ATOM 1368 CG GLN A 88 9.761 -11.594 4.176 1.00 0.00 C ATOM 1369 CD GLN A 88 10.293 -12.545 3.122 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.116 -12.172 2.286 1.00 0.00 O ATOM 1371 NE2 GLN A 88 9.837 -13.783 3.163 1.00 0.00 N ATOM 0 H GLN A 88 9.039 -8.747 4.209 1.00 0.00 H new ATOM 0 HA GLN A 88 9.989 -10.184 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.056 -9.955 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.681 -11.034 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.462 -12.164 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.866 -11.102 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.155 -14.052 3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.167 -14.471 2.486 1.00 0.00 H new ATOM 1380 N LEU A 89 11.396 -8.280 7.349 1.00 0.00 N ATOM 1381 CA LEU A 89 12.438 -7.418 7.880 1.00 0.00 C ATOM 1382 C LEU A 89 13.584 -8.270 8.403 1.00 0.00 C ATOM 1383 O LEU A 89 13.399 -9.447 8.707 1.00 0.00 O ATOM 1384 CB LEU A 89 11.888 -6.525 9.001 1.00 0.00 C ATOM 1385 CG LEU A 89 10.732 -5.607 8.605 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.273 -4.789 9.802 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.141 -4.692 7.464 1.00 0.00 C ATOM 0 H LEU A 89 10.711 -8.590 8.039 1.00 0.00 H new ATOM 0 HA LEU A 89 12.801 -6.773 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.558 -7.163 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.702 -5.910 9.384 1.00 0.00 H new ATOM 0 HG LEU A 89 9.901 -6.226 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.449 -4.140 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.939 -5.459 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.101 -4.181 10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.304 -4.047 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.987 -4.079 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.426 -5.293 6.600 1.00 0.00 H new ATOM 1399 N GLU A 90 14.762 -7.685 8.492 1.00 0.00 N ATOM 1400 CA GLU A 90 15.923 -8.387 9.007 1.00 0.00 C ATOM 1401 C GLU A 90 16.782 -7.444 9.835 1.00 0.00 C ATOM 1402 O GLU A 90 16.629 -6.222 9.758 1.00 0.00 O ATOM 1403 CB GLU A 90 16.740 -8.981 7.857 1.00 0.00 C ATOM 1404 CG GLU A 90 16.946 -10.483 7.968 1.00 0.00 C ATOM 1405 CD GLU A 90 17.775 -10.877 9.174 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.273 -10.780 10.311 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.940 -11.280 8.993 1.00 0.00 O ATOM 0 H GLU A 90 14.942 -6.720 8.213 1.00 0.00 H new ATOM 0 HA GLU A 90 15.583 -9.202 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.239 -8.760 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.713 -8.491 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 90 15.975 -10.975 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.434 -10.845 7.064 1.00 0.00 H new ATOM 1414 N HIS A 91 17.673 -8.016 10.629 1.00 0.00 N ATOM 1415 CA HIS A 91 18.595 -7.228 11.436 1.00 0.00 C ATOM 1416 C HIS A 91 19.583 -6.491 10.543 1.00 0.00 C ATOM 1417 O HIS A 91 20.158 -7.078 9.633 1.00 0.00 O ATOM 1418 CB HIS A 91 19.381 -8.123 12.403 1.00 0.00 C ATOM 1419 CG HIS A 91 18.585 -8.632 13.562 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.702 -8.118 14.839 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.669 -9.624 13.643 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.891 -8.770 15.646 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.255 -9.690 14.948 1.00 0.00 N ATOM 0 H HIS A 91 17.778 -9.025 10.733 1.00 0.00 H new ATOM 0 HA HIS A 91 18.004 -6.512 12.007 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.778 -8.974 11.849 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.236 -7.563 12.783 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.327 -10.248 12.830 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.768 -8.583 16.702 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.566 -10.345 15.319 1.00 0.00 H new ATOM 1432 N HIS A 92 19.762 -5.205 10.799 1.00 0.00 N ATOM 1433 CA HIS A 92 20.797 -4.443 10.115 1.00 0.00 C ATOM 1434 C HIS A 92 22.149 -4.783 10.732 1.00 0.00 C ATOM 1435 O HIS A 92 23.190 -4.678 10.090 1.00 0.00 O ATOM 1436 CB HIS A 92 20.518 -2.939 10.211 1.00 0.00 C ATOM 1437 CG HIS A 92 21.545 -2.082 9.529 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.552 -1.841 8.171 1.00 0.00 N ATOM 1439 CD2 HIS A 92 22.606 -1.406 10.030 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.568 -1.057 7.870 1.00 0.00 C ATOM 1441 NE2 HIS A 92 23.221 -0.778 8.979 1.00 0.00 N ATOM 0 H HIS A 92 19.210 -4.670 11.469 1.00 0.00 H new ATOM 0 HA HIS A 92 20.804 -4.708 9.058 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.540 -2.733 9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 92 20.464 -2.656 11.262 1.00 0.00 H new ATOM 0 HD2 HIS A 92 22.911 -1.369 11.065 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.822 -0.703 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 92 24.051 -0.189 9.045 1.00 0.00 H new