USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 121 MET CE :methyl -94:sc= -0.0976 (180deg=-1.34!) USER MOD Set 1.2: A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-8!) USER MOD Single : A 85 SER OG : rot -74:sc= 1.08 USER MOD Single : A 87 MET CE :methyl 161:sc= -0.0276 (180deg=-0.296) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 179:sc= 0.494 USER MOD Single : A 94 THR OG1 : rot 52:sc= 0.249 USER MOD Single : A 96 SER OG : rot -140:sc= -0.971 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0967 (180deg=-0.417) USER MOD Single : A 107 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.17) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -2.73 K(o=-2.7,f=-4.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 128:sc= -1.05! USER MOD Single : A 122 LYS NZ :NH3+ -161:sc= -0.0567 (180deg=-0.357) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 27:sc= 0.371 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 153:sc= -0.0709 (180deg=-1.17) USER MOD Single : A 142 SER OG : rot -130:sc= -0.532 USER MOD Single : A 144 GLN : amide:sc= -3.28! C(o=-3.3!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -10.803 10.550 -2.983 1.00 0.00 N ATOM 67 CA GLY A 80 -9.486 9.961 -3.138 1.00 0.00 C ATOM 68 C GLY A 80 -8.840 9.618 -1.810 1.00 0.00 C ATOM 69 O GLY A 80 -9.344 9.994 -0.751 1.00 0.00 O ATOM 0 HA2 GLY A 80 -9.565 9.058 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.844 10.654 -3.682 1.00 0.00 H new ATOM 73 N HIS A 81 -7.720 8.906 -1.867 1.00 0.00 N ATOM 74 CA HIS A 81 -7.001 8.512 -0.661 1.00 0.00 C ATOM 75 C HIS A 81 -5.834 7.593 -0.999 1.00 0.00 C ATOM 76 O HIS A 81 -5.948 6.370 -0.912 1.00 0.00 O ATOM 77 CB HIS A 81 -7.942 7.811 0.319 1.00 0.00 C ATOM 78 CG HIS A 81 -7.242 7.240 1.516 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.414 6.136 1.452 1.00 0.00 N ATOM 80 CD2 HIS A 81 -7.249 7.626 2.813 1.00 0.00 C ATOM 81 CE1 HIS A 81 -5.945 5.870 2.658 1.00 0.00 C ATOM 82 NE2 HIS A 81 -6.436 6.760 3.500 1.00 0.00 N ATOM 0 H HIS A 81 -7.290 8.590 -2.736 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.610 9.416 -0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.698 8.520 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.466 7.010 -0.202 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.198 5.609 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.793 8.460 3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.274 5.062 2.912 1.00 0.00 H new ATOM 91 N ILE A 82 -4.710 8.187 -1.380 1.00 0.00 N ATOM 92 CA ILE A 82 -3.525 7.414 -1.720 1.00 0.00 C ATOM 93 C ILE A 82 -2.556 7.367 -0.549 1.00 0.00 C ATOM 94 O ILE A 82 -2.196 8.398 0.017 1.00 0.00 O ATOM 95 CB ILE A 82 -2.805 7.986 -2.954 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.816 8.268 -4.060 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.740 7.015 -3.439 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.220 8.967 -5.263 1.00 0.00 C ATOM 0 H ILE A 82 -4.595 9.197 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.862 6.404 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.317 8.921 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.262 7.327 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.622 8.881 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.238 7.432 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.011 6.849 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.207 6.067 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.997 9.135 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.799 9.924 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.434 8.346 -5.692 1.00 0.00 H new ATOM 110 N VAL A 83 -2.146 6.161 -0.189 1.00 0.00 N ATOM 111 CA VAL A 83 -1.223 5.967 0.925 1.00 0.00 C ATOM 112 C VAL A 83 0.224 6.158 0.488 1.00 0.00 C ATOM 113 O VAL A 83 1.055 5.265 0.655 1.00 0.00 O ATOM 114 CB VAL A 83 -1.378 4.568 1.549 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.729 4.522 2.923 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.846 4.179 1.632 1.00 0.00 C ATOM 0 H VAL A 83 -2.437 5.299 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.474 6.720 1.672 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.871 3.847 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.848 3.526 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.332 4.753 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.205 5.254 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.935 3.187 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.380 4.902 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.277 4.169 0.631 1.00 0.00 H new ATOM 126 N ARG A 84 0.523 7.327 -0.067 1.00 0.00 N ATOM 127 CA ARG A 84 1.875 7.631 -0.520 1.00 0.00 C ATOM 128 C ARG A 84 2.904 7.161 0.503 1.00 0.00 C ATOM 129 O ARG A 84 2.744 7.385 1.703 1.00 0.00 O ATOM 130 CB ARG A 84 2.030 9.132 -0.764 1.00 0.00 C ATOM 131 CG ARG A 84 1.213 9.990 0.187 1.00 0.00 C ATOM 132 CD ARG A 84 1.534 11.467 0.020 1.00 0.00 C ATOM 133 NE ARG A 84 0.341 12.301 0.128 1.00 0.00 N ATOM 134 CZ ARG A 84 -0.252 12.591 1.281 1.00 0.00 C ATOM 135 NH1 ARG A 84 0.235 12.113 2.418 1.00 0.00 N ATOM 136 NH2 ARG A 84 -1.333 13.358 1.299 1.00 0.00 N ATOM 0 H ARG A 84 -0.151 8.078 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 84 2.047 7.101 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.082 9.400 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.734 9.358 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.151 9.825 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.413 9.687 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.257 11.769 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.003 11.629 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.060 12.682 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.066 11.522 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.221 12.337 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.711 13.727 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.787 13.579 2.185 1.00 0.00 H new ATOM 150 N SER A 85 3.956 6.509 0.022 1.00 0.00 N ATOM 151 CA SER A 85 5.009 6.007 0.895 1.00 0.00 C ATOM 152 C SER A 85 5.255 6.965 2.058 1.00 0.00 C ATOM 153 O SER A 85 5.986 7.947 1.924 1.00 0.00 O ATOM 154 CB SER A 85 6.303 5.805 0.104 1.00 0.00 C ATOM 155 OG SER A 85 7.247 5.058 0.851 1.00 0.00 O ATOM 0 H SER A 85 4.102 6.316 -0.969 1.00 0.00 H new ATOM 0 HA SER A 85 4.685 5.048 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.084 5.289 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.727 6.774 -0.158 1.00 0.00 H new ATOM 0 HG SER A 85 7.622 5.621 1.560 1.00 0.00 H new ATOM 161 N PRO A 86 4.645 6.685 3.218 1.00 0.00 N ATOM 162 CA PRO A 86 4.795 7.518 4.413 1.00 0.00 C ATOM 163 C PRO A 86 6.250 7.891 4.676 1.00 0.00 C ATOM 164 O PRO A 86 6.539 8.924 5.280 1.00 0.00 O ATOM 165 CB PRO A 86 4.259 6.625 5.529 1.00 0.00 C ATOM 166 CG PRO A 86 3.256 5.750 4.859 1.00 0.00 C ATOM 167 CD PRO A 86 3.761 5.530 3.457 1.00 0.00 C ATOM 0 HA PRO A 86 4.271 8.469 4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.056 6.038 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.803 7.215 6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.150 4.803 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.273 6.221 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.301 4.587 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.943 5.496 2.737 1.00 0.00 H new ATOM 175 N MET A 87 7.161 7.039 4.217 1.00 0.00 N ATOM 176 CA MET A 87 8.588 7.276 4.397 1.00 0.00 C ATOM 177 C MET A 87 9.380 6.713 3.223 1.00 0.00 C ATOM 178 O MET A 87 8.844 5.971 2.400 1.00 0.00 O ATOM 179 CB MET A 87 9.070 6.647 5.706 1.00 0.00 C ATOM 180 CG MET A 87 9.295 5.147 5.616 1.00 0.00 C ATOM 181 SD MET A 87 9.313 4.351 7.233 1.00 0.00 S ATOM 182 CE MET A 87 7.573 4.401 7.656 1.00 0.00 C ATOM 0 H MET A 87 6.936 6.178 3.718 1.00 0.00 H new ATOM 0 HA MET A 87 8.753 8.353 4.441 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.000 7.128 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.338 6.849 6.487 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.510 4.702 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.241 4.955 5.110 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.368 3.671 8.439 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.314 5.398 8.012 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.977 4.164 6.774 1.00 0.00 H new ATOM 192 N VAL A 88 10.658 7.069 3.150 1.00 0.00 N ATOM 193 CA VAL A 88 11.520 6.599 2.073 1.00 0.00 C ATOM 194 C VAL A 88 11.798 5.104 2.206 1.00 0.00 C ATOM 195 O VAL A 88 12.754 4.696 2.866 1.00 0.00 O ATOM 196 CB VAL A 88 12.856 7.366 2.052 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.401 7.530 3.462 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.869 6.663 1.159 1.00 0.00 C ATOM 0 H VAL A 88 11.119 7.681 3.823 1.00 0.00 H new ATOM 0 HA VAL A 88 10.993 6.782 1.137 1.00 0.00 H new ATOM 0 HB VAL A 88 12.674 8.358 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.345 8.074 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.684 8.086 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.565 6.548 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.804 7.222 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.048 5.656 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.480 6.607 0.142 1.00 0.00 H new ATOM 208 N GLY A 89 10.956 4.293 1.573 1.00 0.00 N ATOM 209 CA GLY A 89 11.126 2.852 1.631 1.00 0.00 C ATOM 210 C GLY A 89 10.698 2.167 0.346 1.00 0.00 C ATOM 211 O GLY A 89 11.061 2.601 -0.747 1.00 0.00 O ATOM 0 H GLY A 89 10.159 4.608 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.172 2.620 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.545 2.453 2.463 1.00 0.00 H new ATOM 215 N THR A 90 9.925 1.093 0.477 1.00 0.00 N ATOM 216 CA THR A 90 9.448 0.348 -0.682 1.00 0.00 C ATOM 217 C THR A 90 7.973 -0.012 -0.530 1.00 0.00 C ATOM 218 O THR A 90 7.465 -0.130 0.585 1.00 0.00 O ATOM 219 CB THR A 90 10.277 -0.922 -0.876 1.00 0.00 C ATOM 220 OG1 THR A 90 11.620 -0.711 -0.477 1.00 0.00 O ATOM 221 CG2 THR A 90 10.296 -1.411 -2.308 1.00 0.00 C ATOM 0 H THR A 90 9.616 0.720 1.374 1.00 0.00 H new ATOM 0 HA THR A 90 9.559 0.984 -1.560 1.00 0.00 H new ATOM 0 HB THR A 90 9.795 -1.678 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.133 -1.536 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.902 -2.315 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.278 -1.631 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.722 -0.640 -2.950 1.00 0.00 H new ATOM 229 N PHE A 91 7.290 -0.187 -1.658 1.00 0.00 N ATOM 230 CA PHE A 91 5.872 -0.532 -1.647 1.00 0.00 C ATOM 231 C PHE A 91 5.634 -1.886 -2.311 1.00 0.00 C ATOM 232 O PHE A 91 6.250 -2.208 -3.329 1.00 0.00 O ATOM 233 CB PHE A 91 5.056 0.551 -2.357 1.00 0.00 C ATOM 234 CG PHE A 91 3.720 0.072 -2.847 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.627 -0.693 -4.006 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.555 0.380 -2.153 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.399 -1.140 -4.462 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.323 -0.066 -2.604 1.00 0.00 C ATOM 239 CZ PHE A 91 1.246 -0.827 -3.760 1.00 0.00 C ATOM 0 H PHE A 91 7.695 -0.096 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 91 5.548 -0.597 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.905 1.387 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.629 0.930 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.523 -0.941 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.611 0.973 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.340 -1.732 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.425 0.179 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.287 -1.176 -4.114 1.00 0.00 H new ATOM 249 N TYR A 92 4.732 -2.672 -1.727 1.00 0.00 N ATOM 250 CA TYR A 92 4.403 -3.992 -2.253 1.00 0.00 C ATOM 251 C TYR A 92 2.905 -4.263 -2.156 1.00 0.00 C ATOM 252 O TYR A 92 2.189 -3.584 -1.422 1.00 0.00 O ATOM 253 CB TYR A 92 5.172 -5.071 -1.491 1.00 0.00 C ATOM 254 CG TYR A 92 6.672 -4.923 -1.583 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.273 -4.489 -2.761 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.489 -5.216 -0.492 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.649 -4.350 -2.852 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.865 -5.079 -0.573 1.00 0.00 C ATOM 259 CZ TYR A 92 9.441 -4.647 -1.755 1.00 0.00 C ATOM 260 OH TYR A 92 10.808 -4.509 -1.839 1.00 0.00 O ATOM 0 H TYR A 92 4.215 -2.415 -0.886 1.00 0.00 H new ATOM 0 HA TYR A 92 4.692 -4.016 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.876 -5.044 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.887 -6.050 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.657 -4.257 -3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.042 -5.555 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.101 -4.012 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.485 -5.308 0.281 1.00 0.00 H new ATOM 0 HH TYR A 92 11.214 -4.741 -0.978 1.00 0.00 H new ATOM 270 N ARG A 93 2.440 -5.263 -2.898 1.00 0.00 N ATOM 271 CA ARG A 93 1.026 -5.626 -2.889 1.00 0.00 C ATOM 272 C ARG A 93 0.850 -7.126 -2.669 1.00 0.00 C ATOM 273 O ARG A 93 -0.238 -7.668 -2.865 1.00 0.00 O ATOM 274 CB ARG A 93 0.355 -5.196 -4.199 1.00 0.00 C ATOM 275 CG ARG A 93 0.407 -6.246 -5.300 1.00 0.00 C ATOM 276 CD ARG A 93 1.780 -6.308 -5.950 1.00 0.00 C ATOM 277 NE ARG A 93 2.136 -7.667 -6.348 1.00 0.00 N ATOM 278 CZ ARG A 93 1.473 -8.364 -7.264 1.00 0.00 C ATOM 279 NH1 ARG A 93 0.425 -7.830 -7.875 1.00 0.00 N ATOM 280 NH2 ARG A 93 1.858 -9.595 -7.571 1.00 0.00 N ATOM 0 H ARG A 93 3.019 -5.836 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 93 0.546 -5.102 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.687 -4.949 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.834 -4.285 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.156 -7.222 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.344 -6.019 -6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.797 -5.658 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.528 -5.926 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 93 2.939 -8.106 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.127 -6.883 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.083 -8.366 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.665 -10.009 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.347 -10.128 -8.275 1.00 0.00 H new ATOM 294 N THR A 94 1.926 -7.792 -2.261 1.00 0.00 N ATOM 295 CA THR A 94 1.887 -9.229 -2.016 1.00 0.00 C ATOM 296 C THR A 94 2.907 -9.628 -0.952 1.00 0.00 C ATOM 297 O THR A 94 4.114 -9.597 -1.192 1.00 0.00 O ATOM 298 CB THR A 94 2.157 -9.998 -3.311 1.00 0.00 C ATOM 299 OG1 THR A 94 2.996 -9.249 -4.170 1.00 0.00 O ATOM 300 CG2 THR A 94 0.898 -10.338 -4.078 1.00 0.00 C ATOM 0 H THR A 94 2.835 -7.360 -2.093 1.00 0.00 H new ATOM 0 HA THR A 94 0.891 -9.482 -1.653 1.00 0.00 H new ATOM 0 HB THR A 94 2.636 -10.927 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.794 -8.962 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.160 -10.883 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.250 -10.957 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.375 -9.419 -4.345 1.00 0.00 H new ATOM 308 N PRO A 95 2.428 -10.006 0.242 1.00 0.00 N ATOM 309 CA PRO A 95 3.294 -10.412 1.353 1.00 0.00 C ATOM 310 C PRO A 95 3.884 -11.804 1.153 1.00 0.00 C ATOM 311 O PRO A 95 4.705 -12.259 1.951 1.00 0.00 O ATOM 312 CB PRO A 95 2.348 -10.400 2.552 1.00 0.00 C ATOM 313 CG PRO A 95 1.006 -10.689 1.974 1.00 0.00 C ATOM 314 CD PRO A 95 0.999 -10.066 0.603 1.00 0.00 C ATOM 0 HA PRO A 95 4.156 -9.754 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.632 -11.151 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 95 2.362 -9.435 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.830 -11.763 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.215 -10.270 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.431 -10.667 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.547 -9.074 0.616 1.00 0.00 H new ATOM 322 N SER A 96 3.462 -12.477 0.088 1.00 0.00 N ATOM 323 CA SER A 96 3.952 -13.818 -0.210 1.00 0.00 C ATOM 324 C SER A 96 3.915 -14.094 -1.709 1.00 0.00 C ATOM 325 O SER A 96 3.312 -13.342 -2.475 1.00 0.00 O ATOM 326 CB SER A 96 3.118 -14.865 0.533 1.00 0.00 C ATOM 327 OG SER A 96 3.929 -15.649 1.390 1.00 0.00 O ATOM 0 H SER A 96 2.783 -12.117 -0.582 1.00 0.00 H new ATOM 0 HA SER A 96 4.987 -13.880 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.341 -14.369 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.614 -15.510 -0.186 1.00 0.00 H new ATOM 0 HG SER A 96 3.638 -16.584 1.351 1.00 0.00 H new ATOM 333 N PRO A 97 4.565 -15.184 -2.144 1.00 0.00 N ATOM 334 CA PRO A 97 4.611 -15.568 -3.557 1.00 0.00 C ATOM 335 C PRO A 97 3.290 -16.159 -4.038 1.00 0.00 C ATOM 336 O PRO A 97 2.947 -17.293 -3.703 1.00 0.00 O ATOM 337 CB PRO A 97 5.715 -16.624 -3.593 1.00 0.00 C ATOM 338 CG PRO A 97 5.697 -17.232 -2.233 1.00 0.00 C ATOM 339 CD PRO A 97 5.306 -16.127 -1.288 1.00 0.00 C ATOM 0 HA PRO A 97 4.794 -14.715 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.524 -17.371 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.684 -16.177 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.986 -18.057 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.675 -17.638 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.687 -16.498 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.180 -15.657 -0.837 1.00 0.00 H new ATOM 347 N ASP A 98 2.552 -15.384 -4.827 1.00 0.00 N ATOM 348 CA ASP A 98 1.269 -15.833 -5.354 1.00 0.00 C ATOM 349 C ASP A 98 0.201 -15.821 -4.265 1.00 0.00 C ATOM 350 O ASP A 98 -0.719 -16.640 -4.275 1.00 0.00 O ATOM 351 CB ASP A 98 1.399 -17.239 -5.941 1.00 0.00 C ATOM 352 CG ASP A 98 0.865 -17.327 -7.357 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.556 -16.849 -8.282 1.00 0.00 O ATOM 354 OD2 ASP A 98 -0.243 -17.871 -7.542 1.00 0.00 O ATOM 0 H ASP A 98 2.821 -14.443 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 98 0.967 -15.144 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.447 -17.538 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.861 -17.945 -5.308 1.00 0.00 H new ATOM 359 N ALA A 99 0.327 -14.889 -3.327 1.00 0.00 N ATOM 360 CA ALA A 99 -0.627 -14.771 -2.232 1.00 0.00 C ATOM 361 C ALA A 99 -1.918 -14.110 -2.701 1.00 0.00 C ATOM 362 O ALA A 99 -2.156 -13.971 -3.902 1.00 0.00 O ATOM 363 CB ALA A 99 -0.017 -13.984 -1.082 1.00 0.00 C ATOM 0 H ALA A 99 1.082 -14.203 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.868 -15.775 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.741 -13.904 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.875 -14.497 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.253 -12.986 -1.427 1.00 0.00 H new ATOM 369 N LYS A 100 -2.749 -13.704 -1.748 1.00 0.00 N ATOM 370 CA LYS A 100 -4.017 -13.058 -2.062 1.00 0.00 C ATOM 371 C LYS A 100 -3.847 -11.545 -2.160 1.00 0.00 C ATOM 372 O LYS A 100 -4.752 -10.785 -1.815 1.00 0.00 O ATOM 373 CB LYS A 100 -5.065 -13.400 -1.001 1.00 0.00 C ATOM 374 CG LYS A 100 -5.008 -14.845 -0.535 1.00 0.00 C ATOM 375 CD LYS A 100 -4.534 -14.948 0.906 1.00 0.00 C ATOM 376 CE LYS A 100 -5.456 -14.195 1.851 1.00 0.00 C ATOM 377 NZ LYS A 100 -6.884 -14.562 1.642 1.00 0.00 N ATOM 0 H LYS A 100 -2.567 -13.811 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.356 -13.430 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.928 -12.744 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.057 -13.195 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.995 -15.297 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.337 -15.410 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.487 -15.996 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.523 -14.548 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.173 -14.409 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.331 -13.122 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.456 -14.190 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.220 -14.155 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.975 -15.597 1.607 1.00 0.00 H new ATOM 391 N ALA A 101 -2.682 -11.116 -2.633 1.00 0.00 N ATOM 392 CA ALA A 101 -2.393 -9.694 -2.776 1.00 0.00 C ATOM 393 C ALA A 101 -2.673 -8.942 -1.480 1.00 0.00 C ATOM 394 O ALA A 101 -3.160 -9.519 -0.508 1.00 0.00 O ATOM 395 CB ALA A 101 -3.205 -9.104 -3.918 1.00 0.00 C ATOM 0 H ALA A 101 -1.923 -11.732 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.333 -9.585 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.980 -8.042 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.950 -9.614 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.268 -9.232 -3.713 1.00 0.00 H new ATOM 401 N PHE A 102 -2.360 -7.650 -1.472 1.00 0.00 N ATOM 402 CA PHE A 102 -2.578 -6.817 -0.294 1.00 0.00 C ATOM 403 C PHE A 102 -3.680 -5.793 -0.546 1.00 0.00 C ATOM 404 O PHE A 102 -4.442 -5.451 0.358 1.00 0.00 O ATOM 405 CB PHE A 102 -1.282 -6.106 0.100 1.00 0.00 C ATOM 406 CG PHE A 102 -0.925 -6.269 1.549 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.911 -6.525 2.496 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.398 -6.167 1.971 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.585 -6.677 3.835 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.729 -6.317 3.308 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.263 -6.573 4.241 1.00 0.00 C ATOM 0 H PHE A 102 -1.955 -7.157 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.892 -7.464 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.466 -6.490 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.377 -5.044 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.942 -6.606 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.175 -5.969 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.360 -6.876 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.759 -6.235 3.623 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.007 -6.691 5.283 1.00 0.00 H new ATOM 421 N ILE A 103 -3.757 -5.306 -1.781 1.00 0.00 N ATOM 422 CA ILE A 103 -4.767 -4.322 -2.151 1.00 0.00 C ATOM 423 C ILE A 103 -4.802 -4.109 -3.661 1.00 0.00 C ATOM 424 O ILE A 103 -3.771 -3.868 -4.289 1.00 0.00 O ATOM 425 CB ILE A 103 -4.518 -2.965 -1.462 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.020 -2.660 -1.400 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.125 -2.962 -0.066 1.00 0.00 C ATOM 428 CD1 ILE A 103 -2.584 -1.575 -2.362 1.00 0.00 C ATOM 0 H ILE A 103 -3.133 -5.577 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.726 -4.719 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.000 -2.184 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.760 -2.360 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.463 -3.571 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.942 -1.998 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.199 -3.133 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.670 -3.752 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.511 -1.411 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.812 -1.881 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.114 -0.651 -2.133 1.00 0.00 H new ATOM 440 N GLU A 104 -5.995 -4.199 -4.236 1.00 0.00 N ATOM 441 CA GLU A 104 -6.170 -4.015 -5.672 1.00 0.00 C ATOM 442 C GLU A 104 -7.393 -3.154 -5.963 1.00 0.00 C ATOM 443 O GLU A 104 -8.370 -3.174 -5.213 1.00 0.00 O ATOM 444 CB GLU A 104 -6.308 -5.370 -6.367 1.00 0.00 C ATOM 445 CG GLU A 104 -5.115 -5.734 -7.235 1.00 0.00 C ATOM 446 CD GLU A 104 -5.049 -7.218 -7.541 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.992 -7.944 -7.162 1.00 0.00 O ATOM 448 OE2 GLU A 104 -4.056 -7.652 -8.161 1.00 0.00 O ATOM 0 H GLU A 104 -6.857 -4.399 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.288 -3.505 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.446 -6.144 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.207 -5.362 -6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.166 -5.176 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.197 -5.429 -6.732 1.00 0.00 H new ATOM 455 N VAL A 105 -7.334 -2.397 -7.054 1.00 0.00 N ATOM 456 CA VAL A 105 -8.439 -1.528 -7.441 1.00 0.00 C ATOM 457 C VAL A 105 -9.782 -2.169 -7.110 1.00 0.00 C ATOM 458 O VAL A 105 -10.334 -2.925 -7.909 1.00 0.00 O ATOM 459 CB VAL A 105 -8.397 -1.200 -8.946 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.524 -0.250 -9.318 1.00 0.00 C ATOM 461 CG2 VAL A 105 -7.047 -0.612 -9.327 1.00 0.00 C ATOM 0 H VAL A 105 -6.533 -2.368 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.329 -0.604 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.535 -2.126 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.478 -0.030 -10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.483 -0.713 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.421 0.676 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.036 -0.387 -10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.876 0.304 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.260 -1.331 -9.100 1.00 0.00 H new ATOM 471 N GLY A 106 -10.300 -1.864 -5.925 1.00 0.00 N ATOM 472 CA GLY A 106 -11.574 -2.419 -5.506 1.00 0.00 C ATOM 473 C GLY A 106 -11.535 -2.959 -4.090 1.00 0.00 C ATOM 474 O GLY A 106 -12.539 -3.458 -3.580 1.00 0.00 O ATOM 0 H GLY A 106 -9.860 -1.242 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.343 -1.649 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.860 -3.219 -6.189 1.00 0.00 H new ATOM 478 N GLN A 107 -10.373 -2.858 -3.451 1.00 0.00 N ATOM 479 CA GLN A 107 -10.206 -3.339 -2.084 1.00 0.00 C ATOM 480 C GLN A 107 -10.947 -2.440 -1.098 1.00 0.00 C ATOM 481 O GLN A 107 -10.580 -1.283 -0.902 1.00 0.00 O ATOM 482 CB GLN A 107 -8.721 -3.398 -1.722 1.00 0.00 C ATOM 483 CG GLN A 107 -8.350 -4.595 -0.862 1.00 0.00 C ATOM 484 CD GLN A 107 -9.018 -4.565 0.499 1.00 0.00 C ATOM 485 OE1 GLN A 107 -8.581 -3.850 1.402 1.00 0.00 O ATOM 486 NE2 GLN A 107 -10.082 -5.343 0.654 1.00 0.00 N ATOM 0 H GLN A 107 -9.533 -2.447 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.629 -4.342 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.133 -3.425 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.448 -2.484 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.632 -5.511 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.268 -4.622 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.410 -5.919 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.572 -5.365 1.548 1.00 0.00 H new ATOM 495 N LYS A 108 -11.992 -2.982 -0.482 1.00 0.00 N ATOM 496 CA LYS A 108 -12.786 -2.230 0.484 1.00 0.00 C ATOM 497 C LYS A 108 -12.129 -2.242 1.861 1.00 0.00 C ATOM 498 O LYS A 108 -12.525 -3.007 2.741 1.00 0.00 O ATOM 499 CB LYS A 108 -14.199 -2.809 0.575 1.00 0.00 C ATOM 500 CG LYS A 108 -15.136 -2.299 -0.507 1.00 0.00 C ATOM 501 CD LYS A 108 -16.117 -3.374 -0.947 1.00 0.00 C ATOM 502 CE LYS A 108 -17.235 -2.792 -1.797 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.131 -3.850 -2.338 1.00 0.00 N ATOM 0 H LYS A 108 -12.309 -3.939 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.844 -1.197 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.142 -3.896 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.619 -2.568 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.685 -1.434 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.554 -1.963 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.589 -4.141 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.542 -3.862 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.819 -2.093 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.805 -2.224 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.879 -3.411 -2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.579 -4.503 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.562 -4.376 -1.551 1.00 0.00 H new ATOM 517 N VAL A 109 -11.127 -1.389 2.040 1.00 0.00 N ATOM 518 CA VAL A 109 -10.417 -1.299 3.310 1.00 0.00 C ATOM 519 C VAL A 109 -11.227 -0.508 4.334 1.00 0.00 C ATOM 520 O VAL A 109 -12.170 0.200 3.980 1.00 0.00 O ATOM 521 CB VAL A 109 -9.032 -0.639 3.133 1.00 0.00 C ATOM 522 CG1 VAL A 109 -9.122 0.548 2.185 1.00 0.00 C ATOM 523 CG2 VAL A 109 -8.454 -0.214 4.476 1.00 0.00 C ATOM 0 H VAL A 109 -10.788 -0.750 1.321 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.278 -2.317 3.673 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.359 -1.377 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.136 1.000 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.479 0.210 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.815 1.285 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.479 0.248 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.124 0.503 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.345 -1.088 5.118 1.00 0.00 H new ATOM 533 N ASN A 110 -10.851 -0.632 5.602 1.00 0.00 N ATOM 534 CA ASN A 110 -11.535 0.069 6.675 1.00 0.00 C ATOM 535 C ASN A 110 -10.595 0.290 7.851 1.00 0.00 C ATOM 536 O ASN A 110 -9.930 -0.636 8.314 1.00 0.00 O ATOM 537 CB ASN A 110 -12.768 -0.710 7.130 1.00 0.00 C ATOM 538 CG ASN A 110 -13.712 -1.020 5.984 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.420 -1.861 5.134 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.852 -0.338 5.955 1.00 0.00 N ATOM 0 H ASN A 110 -10.072 -1.215 5.910 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.857 1.038 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.453 -1.642 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.299 -0.134 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.526 -0.503 5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.053 0.350 6.681 1.00 0.00 H new ATOM 547 N VAL A 111 -10.547 1.528 8.318 1.00 0.00 N ATOM 548 CA VAL A 111 -9.692 1.902 9.439 1.00 0.00 C ATOM 549 C VAL A 111 -9.526 0.749 10.423 1.00 0.00 C ATOM 550 O VAL A 111 -10.487 0.322 11.062 1.00 0.00 O ATOM 551 CB VAL A 111 -10.254 3.123 10.189 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.919 4.407 9.446 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.757 2.985 10.381 1.00 0.00 C ATOM 0 H VAL A 111 -11.095 2.299 7.935 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.719 2.155 9.018 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.788 3.169 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.324 5.259 9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.837 4.509 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.355 4.374 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.137 3.857 10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.243 2.913 9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.969 2.086 10.960 1.00 0.00 H new ATOM 563 N GLY A 112 -8.300 0.250 10.538 1.00 0.00 N ATOM 564 CA GLY A 112 -8.029 -0.849 11.445 1.00 0.00 C ATOM 565 C GLY A 112 -7.674 -2.131 10.714 1.00 0.00 C ATOM 566 O GLY A 112 -7.583 -3.195 11.324 1.00 0.00 O ATOM 0 H GLY A 112 -7.489 0.587 10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.210 -0.574 12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.903 -1.022 12.072 1.00 0.00 H new ATOM 570 N ASP A 113 -7.475 -2.028 9.404 1.00 0.00 N ATOM 571 CA ASP A 113 -7.130 -3.185 8.589 1.00 0.00 C ATOM 572 C ASP A 113 -5.716 -3.049 8.031 1.00 0.00 C ATOM 573 O ASP A 113 -4.845 -2.446 8.660 1.00 0.00 O ATOM 574 CB ASP A 113 -8.137 -3.342 7.447 1.00 0.00 C ATOM 575 CG ASP A 113 -8.405 -4.795 7.109 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.569 -5.651 7.467 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.450 -5.078 6.487 1.00 0.00 O ATOM 0 H ASP A 113 -7.547 -1.153 8.884 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.166 -4.074 9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.073 -2.857 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.761 -2.829 6.562 1.00 0.00 H new ATOM 582 N THR A 114 -5.492 -3.612 6.848 1.00 0.00 N ATOM 583 CA THR A 114 -4.185 -3.552 6.205 1.00 0.00 C ATOM 584 C THR A 114 -4.316 -3.104 4.754 1.00 0.00 C ATOM 585 O THR A 114 -5.316 -3.391 4.095 1.00 0.00 O ATOM 586 CB THR A 114 -3.496 -4.917 6.270 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.774 -5.561 7.501 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.992 -4.833 6.126 1.00 0.00 C ATOM 0 H THR A 114 -6.201 -4.116 6.315 1.00 0.00 H new ATOM 0 HA THR A 114 -3.577 -2.822 6.740 1.00 0.00 H new ATOM 0 HB THR A 114 -3.896 -5.484 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.326 -6.432 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.565 -5.834 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.743 -4.384 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.583 -4.220 6.929 1.00 0.00 H new ATOM 596 N LEU A 115 -3.306 -2.396 4.263 1.00 0.00 N ATOM 597 CA LEU A 115 -3.317 -1.906 2.890 1.00 0.00 C ATOM 598 C LEU A 115 -2.189 -2.529 2.075 1.00 0.00 C ATOM 599 O LEU A 115 -2.403 -3.482 1.327 1.00 0.00 O ATOM 600 CB LEU A 115 -3.197 -0.381 2.869 1.00 0.00 C ATOM 601 CG LEU A 115 -4.379 0.371 3.482 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.036 1.839 3.673 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.616 0.220 2.608 1.00 0.00 C ATOM 0 H LEU A 115 -2.471 -2.149 4.794 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.266 -2.196 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.290 -0.096 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.076 -0.056 1.836 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.593 -0.061 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.889 2.358 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.177 1.928 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.796 2.285 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.448 0.761 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.413 0.626 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.874 -0.836 2.522 1.00 0.00 H new ATOM 615 N CYS A 116 -0.987 -1.980 2.219 1.00 0.00 N ATOM 616 CA CYS A 116 0.171 -2.481 1.487 1.00 0.00 C ATOM 617 C CYS A 116 1.398 -2.573 2.388 1.00 0.00 C ATOM 618 O CYS A 116 1.321 -2.314 3.590 1.00 0.00 O ATOM 619 CB CYS A 116 0.471 -1.575 0.292 1.00 0.00 C ATOM 620 SG CYS A 116 1.381 -0.071 0.719 1.00 0.00 S ATOM 0 H CYS A 116 -0.790 -1.190 2.834 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.066 -3.484 1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.046 -2.139 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.469 -1.296 -0.184 1.00 0.00 H new ATOM 0 HG CYS A 116 2.429 0.034 -0.044 1.00 0.00 H new ATOM 626 N ILE A 117 2.529 -2.944 1.796 1.00 0.00 N ATOM 627 CA ILE A 117 3.777 -3.072 2.538 1.00 0.00 C ATOM 628 C ILE A 117 4.689 -1.876 2.292 1.00 0.00 C ATOM 629 O ILE A 117 5.116 -1.630 1.164 1.00 0.00 O ATOM 630 CB ILE A 117 4.529 -4.361 2.154 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.552 -5.404 1.610 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.284 -4.913 3.354 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.109 -6.811 1.611 1.00 0.00 C ATOM 0 H ILE A 117 2.606 -3.162 0.802 1.00 0.00 H new ATOM 0 HA ILE A 117 3.513 -3.113 3.595 1.00 0.00 H new ATOM 0 HB ILE A 117 5.251 -4.122 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.640 -5.382 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.273 -5.133 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.810 -5.823 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.004 -4.173 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.580 -5.139 4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.363 -7.498 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.005 -6.848 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.362 -7.102 2.631 1.00 0.00 H new ATOM 645 N VAL A 118 4.987 -1.138 3.355 1.00 0.00 N ATOM 646 CA VAL A 118 5.852 0.031 3.256 1.00 0.00 C ATOM 647 C VAL A 118 7.285 -0.318 3.641 1.00 0.00 C ATOM 648 O VAL A 118 7.896 0.354 4.472 1.00 0.00 O ATOM 649 CB VAL A 118 5.356 1.177 4.155 1.00 0.00 C ATOM 650 CG1 VAL A 118 5.469 0.792 5.622 1.00 0.00 C ATOM 651 CG2 VAL A 118 6.134 2.453 3.871 1.00 0.00 C ATOM 0 H VAL A 118 4.642 -1.329 4.296 1.00 0.00 H new ATOM 0 HA VAL A 118 5.824 0.360 2.217 1.00 0.00 H new ATOM 0 HB VAL A 118 4.305 1.361 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.114 1.615 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.864 -0.094 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.510 0.579 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 118 5.770 3.253 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 118 7.193 2.284 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 118 5.998 2.738 2.828 1.00 0.00 H new ATOM 661 N GLU A 119 7.814 -1.375 3.033 1.00 0.00 N ATOM 662 CA GLU A 119 9.176 -1.816 3.314 1.00 0.00 C ATOM 663 C GLU A 119 10.094 -0.625 3.565 1.00 0.00 C ATOM 664 O GLU A 119 10.609 -0.018 2.626 1.00 0.00 O ATOM 665 CB GLU A 119 9.713 -2.656 2.154 1.00 0.00 C ATOM 666 CG GLU A 119 9.983 -4.104 2.528 1.00 0.00 C ATOM 667 CD GLU A 119 11.264 -4.635 1.913 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.481 -4.408 0.704 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.048 -5.279 2.641 1.00 0.00 O ATOM 0 H GLU A 119 7.321 -1.942 2.343 1.00 0.00 H new ATOM 0 HA GLU A 119 9.153 -2.428 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.996 -2.629 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.635 -2.206 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.042 -4.190 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.145 -4.722 2.204 1.00 0.00 H new ATOM 676 N ALA A 120 10.295 -0.299 4.837 1.00 0.00 N ATOM 677 CA ALA A 120 11.152 0.819 5.212 1.00 0.00 C ATOM 678 C ALA A 120 12.355 0.340 6.017 1.00 0.00 C ATOM 679 O ALA A 120 12.207 -0.179 7.124 1.00 0.00 O ATOM 680 CB ALA A 120 10.358 1.846 6.006 1.00 0.00 C ATOM 0 H ALA A 120 9.876 -0.793 5.625 1.00 0.00 H new ATOM 0 HA ALA A 120 11.521 1.287 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.009 2.676 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.533 2.217 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.963 1.381 6.909 1.00 0.00 H new ATOM 686 N MET A 121 13.545 0.519 5.453 1.00 0.00 N ATOM 687 CA MET A 121 14.779 0.106 6.113 1.00 0.00 C ATOM 688 C MET A 121 15.061 -1.373 5.860 1.00 0.00 C ATOM 689 O MET A 121 15.846 -1.996 6.576 1.00 0.00 O ATOM 690 CB MET A 121 14.699 0.389 7.621 1.00 0.00 C ATOM 691 CG MET A 121 14.300 -0.816 8.463 1.00 0.00 C ATOM 692 SD MET A 121 13.329 -0.358 9.913 1.00 0.00 S ATOM 693 CE MET A 121 13.909 -1.565 11.102 1.00 0.00 C ATOM 0 H MET A 121 13.681 0.948 4.538 1.00 0.00 H new ATOM 0 HA MET A 121 15.602 0.685 5.694 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.668 0.752 7.963 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.980 1.191 7.791 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.725 -1.509 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 121 15.198 -1.344 8.784 1.00 0.00 H new ATOM 0 HE1 MET A 121 13.242 -2.427 11.100 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.916 -1.885 10.834 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.923 -1.119 12.096 1.00 0.00 H new ATOM 703 N LYS A 122 14.417 -1.926 4.838 1.00 0.00 N ATOM 704 CA LYS A 122 14.596 -3.330 4.488 1.00 0.00 C ATOM 705 C LYS A 122 13.667 -4.219 5.307 1.00 0.00 C ATOM 706 O LYS A 122 13.957 -5.393 5.536 1.00 0.00 O ATOM 707 CB LYS A 122 16.050 -3.753 4.708 1.00 0.00 C ATOM 708 CG LYS A 122 16.527 -4.819 3.736 1.00 0.00 C ATOM 709 CD LYS A 122 15.480 -5.905 3.541 1.00 0.00 C ATOM 710 CE LYS A 122 15.812 -6.792 2.353 1.00 0.00 C ATOM 711 NZ LYS A 122 15.731 -6.067 1.088 1.00 0.00 N ATOM 0 H LYS A 122 13.765 -1.422 4.237 1.00 0.00 H new ATOM 0 HA LYS A 122 14.346 -3.448 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.692 -2.877 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.161 -4.126 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.759 -4.359 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.450 -5.265 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.413 -6.513 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.502 -5.447 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.816 -7.199 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.126 -7.639 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 15.643 -6.745 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.900 -5.441 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.592 -5.498 0.958 1.00 0.00 H new ATOM 722 N MET A 123 12.549 -3.653 5.748 1.00 0.00 N ATOM 723 CA MET A 123 11.581 -4.402 6.538 1.00 0.00 C ATOM 724 C MET A 123 10.155 -4.017 6.167 1.00 0.00 C ATOM 725 O MET A 123 9.802 -2.838 6.149 1.00 0.00 O ATOM 726 CB MET A 123 11.807 -4.167 8.030 1.00 0.00 C ATOM 727 CG MET A 123 13.228 -4.455 8.488 1.00 0.00 C ATOM 728 SD MET A 123 13.374 -6.037 9.343 1.00 0.00 S ATOM 729 CE MET A 123 14.182 -5.527 10.858 1.00 0.00 C ATOM 0 H MET A 123 12.292 -2.682 5.572 1.00 0.00 H new ATOM 0 HA MET A 123 11.723 -5.460 6.318 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.562 -3.132 8.266 1.00 0.00 H new ATOM 0 HB3 MET A 123 11.119 -4.795 8.596 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.892 -4.451 7.624 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.561 -3.656 9.150 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.342 -6.397 11.495 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.142 -5.068 10.622 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.554 -4.805 11.380 1.00 0.00 H new ATOM 739 N MET A 124 9.342 -5.023 5.875 1.00 0.00 N ATOM 740 CA MET A 124 7.949 -4.802 5.505 1.00 0.00 C ATOM 741 C MET A 124 7.155 -4.248 6.682 1.00 0.00 C ATOM 742 O MET A 124 7.226 -4.771 7.794 1.00 0.00 O ATOM 743 CB MET A 124 7.316 -6.107 5.019 1.00 0.00 C ATOM 744 CG MET A 124 7.823 -7.340 5.748 1.00 0.00 C ATOM 745 SD MET A 124 6.698 -8.742 5.608 1.00 0.00 S ATOM 746 CE MET A 124 7.382 -9.585 4.185 1.00 0.00 C ATOM 0 H MET A 124 9.623 -6.003 5.887 1.00 0.00 H new ATOM 0 HA MET A 124 7.926 -4.071 4.697 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.235 -6.043 5.140 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.511 -6.220 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.797 -7.619 5.347 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.969 -7.100 6.801 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.792 -10.477 3.972 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.358 -8.920 3.322 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.413 -9.873 4.393 1.00 0.00 H new ATOM 756 N ASN A 125 6.398 -3.185 6.430 1.00 0.00 N ATOM 757 CA ASN A 125 5.589 -2.558 7.470 1.00 0.00 C ATOM 758 C ASN A 125 4.131 -2.452 7.033 1.00 0.00 C ATOM 759 O ASN A 125 3.716 -1.446 6.459 1.00 0.00 O ATOM 760 CB ASN A 125 6.136 -1.169 7.804 1.00 0.00 C ATOM 761 CG ASN A 125 6.684 -1.088 9.216 1.00 0.00 C ATOM 762 OD1 ASN A 125 7.894 -1.153 9.429 1.00 0.00 O ATOM 763 ND2 ASN A 125 5.792 -0.944 10.190 1.00 0.00 N ATOM 0 H ASN A 125 6.328 -2.740 5.515 1.00 0.00 H new ATOM 0 HA ASN A 125 5.639 -3.183 8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.924 -0.912 7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.344 -0.430 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.101 -0.883 11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.798 -0.895 9.968 1.00 0.00 H new ATOM 770 N GLN A 126 3.359 -3.498 7.311 1.00 0.00 N ATOM 771 CA GLN A 126 1.947 -3.524 6.947 1.00 0.00 C ATOM 772 C GLN A 126 1.240 -2.259 7.422 1.00 0.00 C ATOM 773 O GLN A 126 1.075 -2.042 8.622 1.00 0.00 O ATOM 774 CB GLN A 126 1.269 -4.757 7.545 1.00 0.00 C ATOM 775 CG GLN A 126 1.315 -4.801 9.064 1.00 0.00 C ATOM 776 CD GLN A 126 1.418 -6.213 9.605 1.00 0.00 C ATOM 777 OE1 GLN A 126 0.455 -6.979 9.562 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.591 -6.566 10.117 1.00 0.00 N ATOM 0 H GLN A 126 3.687 -4.338 7.787 1.00 0.00 H new ATOM 0 HA GLN A 126 1.877 -3.571 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.229 -4.782 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 126 1.748 -5.652 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.167 -4.219 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.419 -4.327 9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 126 3.362 -5.899 10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.721 -7.504 10.495 1.00 0.00 H new ATOM 787 N ILE A 127 0.822 -1.429 6.472 1.00 0.00 N ATOM 788 CA ILE A 127 0.131 -0.186 6.794 1.00 0.00 C ATOM 789 C ILE A 127 -1.286 -0.458 7.287 1.00 0.00 C ATOM 790 O ILE A 127 -1.995 -1.299 6.737 1.00 0.00 O ATOM 791 CB ILE A 127 0.067 0.755 5.576 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.478 1.098 5.095 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.703 2.020 5.924 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.255 1.957 6.068 1.00 0.00 C ATOM 0 H ILE A 127 0.950 -1.595 5.474 1.00 0.00 H new ATOM 0 HA ILE A 127 0.703 0.297 7.586 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.458 0.245 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.028 0.174 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.411 1.616 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.740 2.675 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.718 1.758 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.204 2.535 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.246 2.161 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.727 2.897 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.353 1.432 7.018 1.00 0.00 H new ATOM 806 N GLU A 128 -1.692 0.261 8.329 1.00 0.00 N ATOM 807 CA GLU A 128 -3.024 0.097 8.898 1.00 0.00 C ATOM 808 C GLU A 128 -3.984 1.150 8.351 1.00 0.00 C ATOM 809 O GLU A 128 -3.708 2.348 8.414 1.00 0.00 O ATOM 810 CB GLU A 128 -2.964 0.188 10.424 1.00 0.00 C ATOM 811 CG GLU A 128 -2.595 -1.126 11.095 1.00 0.00 C ATOM 812 CD GLU A 128 -2.270 -0.957 12.567 1.00 0.00 C ATOM 813 OE1 GLU A 128 -1.774 0.125 12.945 1.00 0.00 O ATOM 814 OE2 GLU A 128 -2.511 -1.907 13.340 1.00 0.00 O ATOM 0 H GLU A 128 -1.117 0.963 8.796 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.394 -0.888 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.236 0.948 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.932 0.519 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -3.421 -1.829 10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.736 -1.562 10.585 1.00 0.00 H new ATOM 821 N ALA A 129 -5.110 0.693 7.814 1.00 0.00 N ATOM 822 CA ALA A 129 -6.112 1.593 7.257 1.00 0.00 C ATOM 823 C ALA A 129 -6.250 2.854 8.103 1.00 0.00 C ATOM 824 O ALA A 129 -6.496 2.781 9.306 1.00 0.00 O ATOM 825 CB ALA A 129 -7.452 0.884 7.141 1.00 0.00 C ATOM 0 H ALA A 129 -5.351 -0.296 7.753 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.783 1.890 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.191 1.568 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.350 0.018 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.777 0.557 8.129 1.00 0.00 H new ATOM 831 N ASP A 130 -6.090 4.009 7.464 1.00 0.00 N ATOM 832 CA ASP A 130 -6.198 5.287 8.158 1.00 0.00 C ATOM 833 C ASP A 130 -7.552 5.937 7.891 1.00 0.00 C ATOM 834 O ASP A 130 -7.941 6.885 8.571 1.00 0.00 O ATOM 835 CB ASP A 130 -5.074 6.227 7.719 1.00 0.00 C ATOM 836 CG ASP A 130 -4.601 7.126 8.845 1.00 0.00 C ATOM 837 OD1 ASP A 130 -4.077 6.597 9.848 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.756 8.360 8.723 1.00 0.00 O ATOM 0 H ASP A 130 -5.885 4.086 6.468 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.108 5.100 9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.234 5.638 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.421 6.841 6.888 1.00 0.00 H new ATOM 843 N LYS A 131 -8.265 5.417 6.896 1.00 0.00 N ATOM 844 CA LYS A 131 -9.576 5.946 6.538 1.00 0.00 C ATOM 845 C LYS A 131 -10.297 5.004 5.580 1.00 0.00 C ATOM 846 O LYS A 131 -9.811 4.726 4.483 1.00 0.00 O ATOM 847 CB LYS A 131 -9.436 7.331 5.902 1.00 0.00 C ATOM 848 CG LYS A 131 -10.702 7.818 5.213 1.00 0.00 C ATOM 849 CD LYS A 131 -10.395 8.886 4.176 1.00 0.00 C ATOM 850 CE LYS A 131 -11.633 9.255 3.374 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.992 10.690 3.537 1.00 0.00 N ATOM 0 H LYS A 131 -7.957 4.631 6.324 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.167 6.032 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.153 8.048 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.624 7.307 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -11.203 6.977 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.391 8.218 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.003 9.774 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.617 8.528 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.459 9.042 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.470 8.633 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.841 10.902 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.183 10.888 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.204 11.284 3.210 1.00 0.00 H new ATOM 865 N SER A 132 -11.460 4.517 5.999 1.00 0.00 N ATOM 866 CA SER A 132 -12.249 3.610 5.176 1.00 0.00 C ATOM 867 C SER A 132 -12.272 4.080 3.725 1.00 0.00 C ATOM 868 O SER A 132 -12.700 5.196 3.431 1.00 0.00 O ATOM 869 CB SER A 132 -13.677 3.509 5.715 1.00 0.00 C ATOM 870 OG SER A 132 -14.353 4.750 5.601 1.00 0.00 O ATOM 0 H SER A 132 -11.877 4.736 6.904 1.00 0.00 H new ATOM 0 HA SER A 132 -11.785 2.624 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.223 2.742 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.654 3.198 6.759 1.00 0.00 H new ATOM 0 HG SER A 132 -13.968 5.266 4.862 1.00 0.00 H new ATOM 876 N GLY A 133 -11.807 3.223 2.821 1.00 0.00 N ATOM 877 CA GLY A 133 -11.783 3.576 1.414 1.00 0.00 C ATOM 878 C GLY A 133 -11.751 2.361 0.507 1.00 0.00 C ATOM 879 O GLY A 133 -11.815 1.225 0.976 1.00 0.00 O ATOM 0 H GLY A 133 -11.448 2.293 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.662 4.177 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.910 4.197 1.214 1.00 0.00 H new ATOM 883 N THR A 134 -11.655 2.604 -0.795 1.00 0.00 N ATOM 884 CA THR A 134 -11.616 1.527 -1.777 1.00 0.00 C ATOM 885 C THR A 134 -10.480 1.732 -2.773 1.00 0.00 C ATOM 886 O THR A 134 -10.529 2.642 -3.600 1.00 0.00 O ATOM 887 CB THR A 134 -12.944 1.460 -2.527 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.033 1.427 -1.621 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.061 0.254 -3.433 1.00 0.00 C ATOM 0 H THR A 134 -11.603 3.540 -1.196 1.00 0.00 H new ATOM 0 HA THR A 134 -11.445 0.591 -1.245 1.00 0.00 H new ATOM 0 HB THR A 134 -12.972 2.359 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.874 1.386 -2.122 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.028 0.269 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.265 0.280 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 134 -12.974 -0.656 -2.840 1.00 0.00 H new ATOM 897 N VAL A 135 -9.461 0.880 -2.702 1.00 0.00 N ATOM 898 CA VAL A 135 -8.329 0.982 -3.615 1.00 0.00 C ATOM 899 C VAL A 135 -8.810 1.324 -5.019 1.00 0.00 C ATOM 900 O VAL A 135 -9.852 0.839 -5.460 1.00 0.00 O ATOM 901 CB VAL A 135 -7.518 -0.324 -3.666 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.453 -0.242 -4.748 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.892 -0.618 -2.312 1.00 0.00 C ATOM 0 H VAL A 135 -9.396 0.118 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.683 1.776 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.194 -1.144 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.887 -1.173 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.929 -0.081 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.779 0.587 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.322 -1.546 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.227 0.200 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.677 -0.719 -1.562 1.00 0.00 H new ATOM 913 N LYS A 136 -8.057 2.166 -5.719 1.00 0.00 N ATOM 914 CA LYS A 136 -8.431 2.569 -7.067 1.00 0.00 C ATOM 915 C LYS A 136 -7.302 2.322 -8.061 1.00 0.00 C ATOM 916 O LYS A 136 -7.534 2.254 -9.267 1.00 0.00 O ATOM 917 CB LYS A 136 -8.826 4.044 -7.076 1.00 0.00 C ATOM 918 CG LYS A 136 -10.048 4.345 -6.226 1.00 0.00 C ATOM 919 CD LYS A 136 -11.330 3.925 -6.929 1.00 0.00 C ATOM 920 CE LYS A 136 -11.961 5.088 -7.677 1.00 0.00 C ATOM 921 NZ LYS A 136 -13.447 5.057 -7.601 1.00 0.00 N ATOM 0 H LYS A 136 -7.190 2.580 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.282 1.962 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.987 4.640 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.021 4.354 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.967 3.824 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.085 5.412 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.115 3.116 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.037 3.535 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -11.596 6.027 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.650 5.059 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -13.820 6.024 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.822 4.466 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.740 4.660 -6.685 1.00 0.00 H new ATOM 935 N ALA A 137 -6.080 2.192 -7.555 1.00 0.00 N ATOM 936 CA ALA A 137 -4.932 1.957 -8.420 1.00 0.00 C ATOM 937 C ALA A 137 -3.620 2.098 -7.658 1.00 0.00 C ATOM 938 O ALA A 137 -3.575 2.700 -6.585 1.00 0.00 O ATOM 939 CB ALA A 137 -4.969 2.924 -9.590 1.00 0.00 C ATOM 0 H ALA A 137 -5.861 2.245 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 137 -4.988 0.934 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.109 2.747 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.887 2.773 -10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.937 3.948 -9.217 1.00 0.00 H new ATOM 945 N ILE A 138 -2.553 1.541 -8.220 1.00 0.00 N ATOM 946 CA ILE A 138 -1.240 1.606 -7.595 1.00 0.00 C ATOM 947 C ILE A 138 -0.318 2.548 -8.362 1.00 0.00 C ATOM 948 O ILE A 138 0.517 2.104 -9.151 1.00 0.00 O ATOM 949 CB ILE A 138 -0.578 0.215 -7.511 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.563 -0.885 -7.920 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.060 -0.033 -6.106 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.786 -0.963 -7.031 1.00 0.00 C ATOM 0 H ILE A 138 -2.573 1.039 -9.108 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.392 1.984 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 138 0.262 0.192 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.882 -0.712 -8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.049 -1.846 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.405 -1.018 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.676 0.729 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.889 0.011 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.439 -1.763 -7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.478 -1.167 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.323 -0.015 -7.067 1.00 0.00 H new ATOM 964 N LEU A 139 -0.468 3.849 -8.128 1.00 0.00 N ATOM 965 CA LEU A 139 0.362 4.840 -8.803 1.00 0.00 C ATOM 966 C LEU A 139 1.801 4.354 -8.866 1.00 0.00 C ATOM 967 O LEU A 139 2.541 4.676 -9.796 1.00 0.00 O ATOM 968 CB LEU A 139 0.300 6.186 -8.077 1.00 0.00 C ATOM 969 CG LEU A 139 -1.084 6.836 -8.009 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.963 8.351 -8.073 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.978 6.325 -9.130 1.00 0.00 C ATOM 0 H LEU A 139 -1.152 4.239 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.019 4.975 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.667 6.048 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.983 6.877 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.542 6.564 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.956 8.798 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.364 8.704 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.482 8.638 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.956 6.801 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.526 6.563 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.093 5.245 -9.040 1.00 0.00 H new ATOM 983 N VAL A 140 2.184 3.572 -7.867 1.00 0.00 N ATOM 984 CA VAL A 140 3.529 3.027 -7.792 1.00 0.00 C ATOM 985 C VAL A 140 3.562 1.595 -8.306 1.00 0.00 C ATOM 986 O VAL A 140 2.662 0.803 -8.024 1.00 0.00 O ATOM 987 CB VAL A 140 4.059 3.048 -6.349 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.379 2.297 -6.251 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.213 4.479 -5.856 1.00 0.00 C ATOM 0 H VAL A 140 1.577 3.300 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 140 4.165 3.655 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 140 3.334 2.544 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.737 2.324 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.232 1.261 -6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.115 2.767 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.589 4.473 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.915 5.011 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.245 4.980 -5.884 1.00 0.00 H new ATOM 999 N GLU A 141 4.604 1.265 -9.056 1.00 0.00 N ATOM 1000 CA GLU A 141 4.752 -0.077 -9.600 1.00 0.00 C ATOM 1001 C GLU A 141 5.074 -1.065 -8.490 1.00 0.00 C ATOM 1002 O GLU A 141 6.224 -1.185 -8.070 1.00 0.00 O ATOM 1003 CB GLU A 141 5.851 -0.106 -10.662 1.00 0.00 C ATOM 1004 CG GLU A 141 5.338 0.126 -12.073 1.00 0.00 C ATOM 1005 CD GLU A 141 6.263 -0.446 -13.130 1.00 0.00 C ATOM 1006 OE1 GLU A 141 7.332 0.154 -13.372 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.918 -1.492 -13.717 1.00 0.00 O ATOM 0 H GLU A 141 5.358 1.907 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 141 3.809 -0.365 -10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.594 0.655 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.358 -1.070 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.351 -0.325 -12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.218 1.196 -12.241 1.00 0.00 H new ATOM 1014 N SER A 142 4.049 -1.764 -8.013 1.00 0.00 N ATOM 1015 CA SER A 142 4.227 -2.736 -6.944 1.00 0.00 C ATOM 1016 C SER A 142 5.567 -3.451 -7.083 1.00 0.00 C ATOM 1017 O SER A 142 6.112 -3.552 -8.183 1.00 0.00 O ATOM 1018 CB SER A 142 3.092 -3.759 -6.952 1.00 0.00 C ATOM 1019 OG SER A 142 2.945 -4.351 -8.231 1.00 0.00 O ATOM 0 H SER A 142 3.090 -1.675 -8.349 1.00 0.00 H new ATOM 0 HA SER A 142 4.212 -2.199 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.291 -4.533 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.160 -3.274 -6.664 1.00 0.00 H new ATOM 0 HG SER A 142 2.005 -4.311 -8.504 1.00 0.00 H new ATOM 1025 N GLY A 143 6.095 -3.943 -5.969 1.00 0.00 N ATOM 1026 CA GLY A 143 7.368 -4.637 -6.004 1.00 0.00 C ATOM 1027 C GLY A 143 8.501 -3.739 -6.458 1.00 0.00 C ATOM 1028 O GLY A 143 9.392 -4.174 -7.189 1.00 0.00 O ATOM 0 H GLY A 143 5.667 -3.874 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.593 -5.029 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.294 -5.493 -6.675 1.00 0.00 H new ATOM 1032 N GLN A 144 8.467 -2.481 -6.028 1.00 0.00 N ATOM 1033 CA GLN A 144 9.499 -1.521 -6.400 1.00 0.00 C ATOM 1034 C GLN A 144 9.686 -0.469 -5.312 1.00 0.00 C ATOM 1035 O GLN A 144 8.730 -0.067 -4.650 1.00 0.00 O ATOM 1036 CB GLN A 144 9.141 -0.842 -7.722 1.00 0.00 C ATOM 1037 CG GLN A 144 8.650 -1.807 -8.788 1.00 0.00 C ATOM 1038 CD GLN A 144 9.759 -2.685 -9.334 1.00 0.00 C ATOM 1039 OE1 GLN A 144 10.785 -2.887 -8.684 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.558 -3.214 -10.536 1.00 0.00 N ATOM 0 H GLN A 144 7.737 -2.104 -5.423 1.00 0.00 H new ATOM 0 HA GLN A 144 10.436 -2.065 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 144 8.371 -0.093 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 144 10.017 -0.313 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.866 -2.437 -8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.202 -1.242 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 144 8.693 -3.020 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 144 10.269 -3.814 -10.955 1.00 0.00 H new ATOM 1049 N PRO A 145 10.932 -0.009 -5.120 1.00 0.00 N ATOM 1050 CA PRO A 145 11.257 1.005 -4.111 1.00 0.00 C ATOM 1051 C PRO A 145 10.414 2.266 -4.270 1.00 0.00 C ATOM 1052 O PRO A 145 9.667 2.409 -5.237 1.00 0.00 O ATOM 1053 CB PRO A 145 12.734 1.312 -4.374 1.00 0.00 C ATOM 1054 CG PRO A 145 13.260 0.097 -5.055 1.00 0.00 C ATOM 1055 CD PRO A 145 12.121 -0.442 -5.873 1.00 0.00 C ATOM 0 HA PRO A 145 11.057 0.652 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 145 12.849 2.197 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.269 1.507 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.113 0.342 -5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.603 -0.640 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.126 -0.038 -6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.168 -1.527 -5.963 1.00 0.00 H new ATOM 1063 N VAL A 146 10.540 3.180 -3.313 1.00 0.00 N ATOM 1064 CA VAL A 146 9.791 4.429 -3.348 1.00 0.00 C ATOM 1065 C VAL A 146 10.359 5.436 -2.354 1.00 0.00 C ATOM 1066 O VAL A 146 11.279 5.126 -1.598 1.00 0.00 O ATOM 1067 CB VAL A 146 8.300 4.200 -3.036 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.541 3.833 -4.301 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.136 3.123 -1.975 1.00 0.00 C ATOM 0 H VAL A 146 11.154 3.078 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 146 9.884 4.827 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 146 7.882 5.128 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.489 3.675 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.630 4.642 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.958 2.919 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.076 2.975 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.569 2.190 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.645 3.431 -1.062 1.00 0.00 H new ATOM 1079 N GLU A 147 9.805 6.644 -2.361 1.00 0.00 N ATOM 1080 CA GLU A 147 10.260 7.696 -1.459 1.00 0.00 C ATOM 1081 C GLU A 147 9.078 8.420 -0.824 1.00 0.00 C ATOM 1082 O GLU A 147 7.950 8.337 -1.313 1.00 0.00 O ATOM 1083 CB GLU A 147 11.140 8.696 -2.212 1.00 0.00 C ATOM 1084 CG GLU A 147 12.055 8.049 -3.239 1.00 0.00 C ATOM 1085 CD GLU A 147 12.175 8.868 -4.510 1.00 0.00 C ATOM 1086 OE1 GLU A 147 12.301 10.106 -4.410 1.00 0.00 O ATOM 1087 OE2 GLU A 147 12.143 8.269 -5.606 1.00 0.00 O ATOM 0 H GLU A 147 9.042 6.918 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 147 10.845 7.231 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.502 9.423 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.747 9.247 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.045 7.913 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 147 11.676 7.057 -3.485 1.00 0.00 H new ATOM 1094 N PHE A 148 9.343 9.130 0.267 1.00 0.00 N ATOM 1095 CA PHE A 148 8.304 9.870 0.972 1.00 0.00 C ATOM 1096 C PHE A 148 7.480 10.708 -0.002 1.00 0.00 C ATOM 1097 O PHE A 148 8.016 11.279 -0.951 1.00 0.00 O ATOM 1098 CB PHE A 148 8.927 10.770 2.040 1.00 0.00 C ATOM 1099 CG PHE A 148 7.915 11.491 2.883 1.00 0.00 C ATOM 1100 CD1 PHE A 148 6.687 10.906 3.169 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.190 12.756 3.390 1.00 0.00 C ATOM 1102 CE1 PHE A 148 5.751 11.571 3.946 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.257 13.426 4.166 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.036 12.832 4.445 1.00 0.00 C ATOM 0 H PHE A 148 10.271 9.208 0.683 1.00 0.00 H new ATOM 0 HA PHE A 148 7.642 9.152 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.562 10.165 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.572 11.503 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.460 9.924 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.141 13.222 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.800 11.107 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.481 14.409 4.553 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.308 13.351 5.050 1.00 0.00 H new ATOM 1114 N ASP A 149 6.174 10.774 0.239 1.00 0.00 N ATOM 1115 CA ASP A 149 5.278 11.539 -0.619 1.00 0.00 C ATOM 1116 C ASP A 149 5.216 10.931 -2.014 1.00 0.00 C ATOM 1117 O ASP A 149 5.001 11.633 -3.003 1.00 0.00 O ATOM 1118 CB ASP A 149 5.736 12.997 -0.703 1.00 0.00 C ATOM 1119 CG ASP A 149 4.599 13.974 -0.482 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.900 13.848 0.545 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.405 14.863 -1.337 1.00 0.00 O ATOM 0 H ASP A 149 5.714 10.307 1.021 1.00 0.00 H new ATOM 0 HA ASP A 149 4.280 11.506 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.513 13.174 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.183 13.179 -1.681 1.00 0.00 H new ATOM 1126 N GLU A 150 5.404 9.617 -2.085 1.00 0.00 N ATOM 1127 CA GLU A 150 5.368 8.907 -3.357 1.00 0.00 C ATOM 1128 C GLU A 150 4.104 8.063 -3.469 1.00 0.00 C ATOM 1129 O GLU A 150 4.151 6.838 -3.373 1.00 0.00 O ATOM 1130 CB GLU A 150 6.605 8.019 -3.503 1.00 0.00 C ATOM 1131 CG GLU A 150 6.602 7.178 -4.769 1.00 0.00 C ATOM 1132 CD GLU A 150 7.592 7.676 -5.804 1.00 0.00 C ATOM 1133 OE1 GLU A 150 8.778 7.851 -5.455 1.00 0.00 O ATOM 1134 OE2 GLU A 150 7.181 7.892 -6.963 1.00 0.00 O ATOM 0 H GLU A 150 5.583 9.023 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 150 5.363 9.645 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.496 8.647 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.673 7.359 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 150 6.837 6.145 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.601 7.180 -5.199 1.00 0.00 H new ATOM 1141 N PRO A 151 2.951 8.716 -3.682 1.00 0.00 N ATOM 1142 CA PRO A 151 1.669 8.039 -3.816 1.00 0.00 C ATOM 1143 C PRO A 151 1.810 6.663 -4.457 1.00 0.00 C ATOM 1144 O PRO A 151 2.281 6.540 -5.588 1.00 0.00 O ATOM 1145 CB PRO A 151 0.898 8.993 -4.720 1.00 0.00 C ATOM 1146 CG PRO A 151 1.399 10.352 -4.348 1.00 0.00 C ATOM 1147 CD PRO A 151 2.807 10.175 -3.818 1.00 0.00 C ATOM 0 HA PRO A 151 1.184 7.843 -2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.081 8.777 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.177 8.909 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.393 11.015 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.757 10.806 -3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.547 10.588 -4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 151 2.941 10.681 -2.862 1.00 0.00 H new ATOM 1155 N LEU A 152 1.413 5.629 -3.722 1.00 0.00 N ATOM 1156 CA LEU A 152 1.511 4.262 -4.217 1.00 0.00 C ATOM 1157 C LEU A 152 0.135 3.615 -4.353 1.00 0.00 C ATOM 1158 O LEU A 152 -0.344 3.387 -5.462 1.00 0.00 O ATOM 1159 CB LEU A 152 2.384 3.415 -3.284 1.00 0.00 C ATOM 1160 CG LEU A 152 3.337 4.199 -2.377 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.153 3.782 -0.927 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.779 3.986 -2.812 1.00 0.00 C ATOM 0 H LEU A 152 1.021 5.712 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 152 1.970 4.306 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.731 2.808 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.972 2.727 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 152 3.103 5.260 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.838 4.349 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.127 3.981 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.363 2.717 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.444 4.550 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.024 2.926 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.904 4.330 -3.839 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.483 3.309 -3.217 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.792 2.671 -3.200 1.00 0.00 C ATOM 1176 C VAL A 153 -2.916 3.693 -3.097 1.00 0.00 C ATOM 1177 O VAL A 153 -3.166 4.260 -2.033 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.909 1.677 -2.028 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.340 2.285 -0.757 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.357 1.252 -1.823 1.00 0.00 C ATOM 0 H VAL A 153 -0.095 3.494 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.890 2.134 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.328 0.788 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.431 1.570 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.289 2.530 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.892 3.192 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.416 0.550 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.966 2.129 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.727 0.772 -2.729 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.599 3.910 -4.212 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.711 4.850 -4.261 1.00 0.00 C ATOM 1192 C VAL A 154 -6.001 4.189 -3.793 1.00 0.00 C ATOM 1193 O VAL A 154 -6.306 3.060 -4.181 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.923 5.400 -5.683 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -6.015 6.460 -5.690 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.624 5.957 -6.240 1.00 0.00 C ATOM 0 H VAL A 154 -3.402 3.446 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.458 5.675 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.243 4.580 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -6.150 6.837 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.949 6.022 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.729 7.281 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.794 6.341 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.270 6.764 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.875 5.166 -6.276 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.754 4.895 -2.956 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.009 4.373 -2.430 1.00 0.00 C ATOM 1208 C ILE A 155 -9.124 5.411 -2.520 1.00 0.00 C ATOM 1209 O ILE A 155 -8.922 6.582 -2.196 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.849 3.928 -0.962 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.822 2.801 -0.857 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.185 3.491 -0.389 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.458 2.446 0.568 1.00 0.00 C ATOM 0 H ILE A 155 -6.516 5.831 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.278 3.512 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.490 4.776 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.215 1.915 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.918 3.093 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.052 3.181 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.889 4.322 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.575 2.656 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.725 1.639 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.035 3.320 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.352 2.123 1.102 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.303 4.977 -2.964 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.446 5.872 -3.097 1.00 0.00 C ATOM 1227 C GLU A 156 -11.962 6.302 -1.727 1.00 0.00 C ATOM 1228 O GLU A 156 -11.918 5.473 -0.793 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.567 5.192 -3.885 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.731 6.115 -4.207 1.00 0.00 C ATOM 1231 CD GLU A 156 -15.063 5.556 -3.745 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.077 4.803 -2.750 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -16.092 5.873 -4.379 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.407 7.462 -1.600 1.00 0.00 O ATOM 0 H GLU A 156 -10.489 4.012 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.118 6.759 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.158 4.798 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.937 4.341 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.564 7.083 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.767 6.287 -5.283 1.00 0.00 H new