USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 531 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 175 LYS NZ :NH3+ -110:sc= 0.145 (180deg=-0.0196) USER MOD Set 1.2: A 189 TYR OH : rot -30:sc= 1.42 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.41 K(o=2,f=1.2) USER MOD Set 2.1: A 171 CYS SG : rot -60:sc= 1.18 USER MOD Set 2.2: A 177 CYS SG : rot -96:sc= 0.305 USER MOD Set 2.3: A 187 CYS SG : rot 50:sc= -1.34 USER MOD Set 2.4: A 190 CYS SG : rot 121:sc= -0.115 USER MOD Set 3.1: A 162 THR OG1 : rot 81:sc= 2.2 USER MOD Set 3.2: A 169 TYR OH : rot 169:sc= 2.09 USER MOD Set 4.1: A 147 TYR OH : rot -179:sc= 1.1 USER MOD Set 4.2: A 156 LYS NZ :NH3+ 139:sc= 0.00921 (180deg=-0.0473) USER MOD Set 5.1: A 135 CYS SG : rot 154:sc= 0.343 USER MOD Set 5.2: A 138 CYS SG : rot 81:sc= 0.245 USER MOD Set 5.3: A 151 SER OG : rot 24:sc= 0.921 USER MOD Set 5.4: A 152 CYS SG : rot -21:sc= 0.761 USER MOD Set 5.5: A 155 CYS SG : rot 137:sc= 0.565 USER MOD Set 5.6: A 200 MET CE :methyl 170:sc= -0.0683 (180deg=-0.173) USER MOD Single : A 133 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-5.2!) USER MOD Single : A 142 SER OG : rot 146:sc= 0.996 USER MOD Single : A 143 SER OG : rot -110:sc= 0.00214 USER MOD Single : A 145 LYS NZ :NH3+ 150:sc= 1.27 (180deg=0.372) USER MOD Single : A 146 HIS : no HE2:sc= -0.913 K(o=-0.91,f=-2.2) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0548) USER MOD Single : A 168 THR OG1 : rot 48:sc= 0.36 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 174 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : A 188 GLN : amide:sc= 0.814 K(o=0.81,f=-4!) USER MOD Single : A 192 TYR OH : rot 157:sc= 2.21 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 1.99 (180deg=1.99) USER MOD Single : A 198 MET CE :methyl -172:sc= -0.161 (180deg=-0.239) USER MOD Single : A 201 LYS NZ :NH3+ -152:sc= 1 (180deg=0.306) USER MOD Single : A 206 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -4.441 -2.681 15.854 1.00 0.00 N ATOM 58 CA HIS A 133 -4.609 -1.855 14.673 1.00 0.00 C ATOM 59 C HIS A 133 -4.281 -2.725 13.462 1.00 0.00 C ATOM 60 O HIS A 133 -3.136 -2.752 13.007 1.00 0.00 O ATOM 61 CB HIS A 133 -3.731 -0.597 14.723 1.00 0.00 C ATOM 62 CG HIS A 133 -3.991 0.353 13.573 1.00 0.00 C ATOM 63 ND1 HIS A 133 -4.180 0.022 12.244 1.00 0.00 N ATOM 64 CD2 HIS A 133 -4.030 1.720 13.660 1.00 0.00 C ATOM 65 CE1 HIS A 133 -4.323 1.166 11.557 1.00 0.00 C ATOM 66 NE2 HIS A 133 -4.232 2.227 12.374 1.00 0.00 N ATOM 0 HA HIS A 133 -5.635 -1.492 14.612 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -3.906 -0.076 15.664 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.682 -0.892 14.713 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -4.206 -0.921 11.856 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.923 2.303 14.563 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -4.489 1.225 10.491 1.00 0.00 H new ATOM 74 N ILE A 134 -5.292 -3.426 12.946 1.00 0.00 N ATOM 75 CA ILE A 134 -5.163 -4.270 11.770 1.00 0.00 C ATOM 76 C ILE A 134 -4.610 -3.486 10.574 1.00 0.00 C ATOM 77 O ILE A 134 -4.536 -2.254 10.586 1.00 0.00 O ATOM 78 CB ILE A 134 -6.486 -4.995 11.448 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.760 -4.135 11.546 1.00 0.00 C ATOM 80 CG2 ILE A 134 -6.632 -6.214 12.366 1.00 0.00 C ATOM 81 CD1 ILE A 134 -7.722 -2.869 10.687 1.00 0.00 C ATOM 0 H ILE A 134 -6.232 -3.420 13.342 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.432 -5.047 11.994 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.408 -5.276 10.398 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.618 -4.738 11.248 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.916 -3.851 12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -7.566 -6.729 12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -5.795 -6.893 12.204 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.639 -5.888 13.406 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -8.654 -2.318 10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -6.886 -2.243 10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -7.599 -3.144 9.639 1.00 0.00 H new ATOM 93 N CYS A 135 -4.167 -4.228 9.561 1.00 0.00 N ATOM 94 CA CYS A 135 -3.495 -3.696 8.398 1.00 0.00 C ATOM 95 C CYS A 135 -4.336 -2.649 7.683 1.00 0.00 C ATOM 96 O CYS A 135 -5.335 -2.995 7.056 1.00 0.00 O ATOM 97 CB CYS A 135 -3.119 -4.837 7.452 1.00 0.00 C ATOM 98 SG CYS A 135 -2.429 -4.284 5.876 1.00 0.00 S ATOM 0 H CYS A 135 -4.273 -5.242 9.535 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.587 -3.194 8.732 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.395 -5.483 7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.005 -5.442 7.257 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.667 -5.216 5.385 1.00 0.00 H new ATOM 103 N ALA A 136 -3.894 -1.392 7.745 1.00 0.00 N ATOM 104 CA ALA A 136 -4.532 -0.236 7.135 1.00 0.00 C ATOM 105 C ALA A 136 -5.117 -0.512 5.747 1.00 0.00 C ATOM 106 O ALA A 136 -6.221 -0.075 5.437 1.00 0.00 O ATOM 107 CB ALA A 136 -3.498 0.893 7.069 1.00 0.00 C ATOM 0 H ALA A 136 -3.041 -1.146 8.247 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.385 0.042 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.950 1.775 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.160 1.137 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.647 0.572 6.469 1.00 0.00 H new ATOM 113 N ILE A 137 -4.349 -1.201 4.902 1.00 0.00 N ATOM 114 CA ILE A 137 -4.697 -1.451 3.506 1.00 0.00 C ATOM 115 C ILE A 137 -5.293 -2.850 3.269 1.00 0.00 C ATOM 116 O ILE A 137 -5.647 -3.147 2.136 1.00 0.00 O ATOM 117 CB ILE A 137 -3.437 -1.214 2.647 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.783 0.155 2.919 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.689 -1.296 1.129 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.271 0.050 2.744 1.00 0.00 C ATOM 0 H ILE A 137 -3.454 -1.607 5.174 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.488 -0.759 3.215 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.775 -2.026 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.186 0.903 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.019 0.486 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.755 -1.118 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.069 -2.286 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.421 -0.542 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.814 1.021 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.874 -0.684 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.043 -0.261 1.724 1.00 0.00 H new ATOM 132 N CYS A 138 -5.404 -3.732 4.276 1.00 0.00 N ATOM 133 CA CYS A 138 -5.921 -5.095 4.039 1.00 0.00 C ATOM 134 C CYS A 138 -6.869 -5.663 5.103 1.00 0.00 C ATOM 135 O CYS A 138 -7.727 -6.478 4.770 1.00 0.00 O ATOM 136 CB CYS A 138 -4.778 -6.106 3.847 1.00 0.00 C ATOM 137 SG CYS A 138 -3.491 -5.762 2.617 1.00 0.00 S ATOM 0 H CYS A 138 -5.149 -3.534 5.244 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.512 -4.965 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -4.285 -6.231 4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.228 -7.065 3.592 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.624 -4.932 3.116 1.00 0.00 H new ATOM 142 N GLY A 139 -6.694 -5.312 6.378 1.00 0.00 N ATOM 143 CA GLY A 139 -7.475 -5.884 7.471 1.00 0.00 C ATOM 144 C GLY A 139 -6.760 -7.082 8.111 1.00 0.00 C ATOM 145 O GLY A 139 -7.218 -7.599 9.126 1.00 0.00 O ATOM 0 H GLY A 139 -6.006 -4.622 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.656 -5.121 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.449 -6.199 7.097 1.00 0.00 H new ATOM 149 N ASP A 140 -5.631 -7.524 7.541 1.00 0.00 N ATOM 150 CA ASP A 140 -4.821 -8.609 8.080 1.00 0.00 C ATOM 151 C ASP A 140 -4.197 -8.189 9.412 1.00 0.00 C ATOM 152 O ASP A 140 -4.161 -7.007 9.745 1.00 0.00 O ATOM 153 CB ASP A 140 -3.692 -8.948 7.094 1.00 0.00 C ATOM 154 CG ASP A 140 -4.189 -9.705 5.873 1.00 0.00 C ATOM 155 OD1 ASP A 140 -4.772 -9.038 4.992 1.00 0.00 O ATOM 156 OD2 ASP A 140 -3.978 -10.937 5.843 1.00 0.00 O ATOM 0 H ASP A 140 -5.255 -7.128 6.680 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.460 -9.479 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.207 -8.026 6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.936 -9.545 7.604 1.00 0.00 H new ATOM 161 N ARG A 141 -3.649 -9.152 10.154 1.00 0.00 N ATOM 162 CA ARG A 141 -2.946 -8.866 11.394 1.00 0.00 C ATOM 163 C ARG A 141 -1.602 -8.236 11.008 1.00 0.00 C ATOM 164 O ARG A 141 -0.696 -8.938 10.566 1.00 0.00 O ATOM 165 CB ARG A 141 -2.790 -10.166 12.200 1.00 0.00 C ATOM 166 CG ARG A 141 -2.614 -9.910 13.706 1.00 0.00 C ATOM 167 CD ARG A 141 -1.337 -10.549 14.257 1.00 0.00 C ATOM 168 NE ARG A 141 -0.148 -9.798 13.840 1.00 0.00 N ATOM 169 CZ ARG A 141 1.073 -9.942 14.370 1.00 0.00 C ATOM 170 NH1 ARG A 141 1.308 -10.896 15.278 1.00 0.00 N ATOM 171 NH2 ARG A 141 2.052 -9.120 13.986 1.00 0.00 N ATOM 0 H ARG A 141 -3.682 -10.142 9.911 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.490 -8.171 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.666 -10.795 12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.929 -10.720 11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -2.589 -8.836 13.889 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.476 -10.305 14.243 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.385 -10.585 15.345 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.262 -11.579 13.907 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.260 -9.115 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.555 -11.519 15.570 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.240 -11.001 15.678 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.866 -8.392 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.986 -9.220 14.383 1.00 0.00 H new ATOM 185 N SER A 142 -1.497 -6.908 11.104 1.00 0.00 N ATOM 186 CA SER A 142 -0.336 -6.126 10.710 1.00 0.00 C ATOM 187 C SER A 142 0.984 -6.742 11.163 1.00 0.00 C ATOM 188 O SER A 142 1.114 -7.159 12.314 1.00 0.00 O ATOM 189 CB SER A 142 -0.478 -4.729 11.319 1.00 0.00 C ATOM 190 OG SER A 142 -1.820 -4.316 11.185 1.00 0.00 O ATOM 0 H SER A 142 -2.252 -6.331 11.474 1.00 0.00 H new ATOM 0 HA SER A 142 -0.307 -6.093 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.189 -4.743 12.370 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.186 -4.027 10.815 1.00 0.00 H new ATOM 0 HG SER A 142 -2.072 -3.768 11.957 1.00 0.00 H new ATOM 196 N SER A 143 1.977 -6.728 10.278 1.00 0.00 N ATOM 197 CA SER A 143 3.318 -7.183 10.572 1.00 0.00 C ATOM 198 C SER A 143 4.036 -6.075 11.340 1.00 0.00 C ATOM 199 O SER A 143 4.769 -6.360 12.283 1.00 0.00 O ATOM 200 CB SER A 143 4.059 -7.536 9.278 1.00 0.00 C ATOM 201 OG SER A 143 3.270 -8.362 8.437 1.00 0.00 O ATOM 0 H SER A 143 1.862 -6.393 9.322 1.00 0.00 H new ATOM 0 HA SER A 143 3.288 -8.087 11.180 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.323 -6.621 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 143 4.992 -8.046 9.519 1.00 0.00 H new ATOM 0 HG SER A 143 3.654 -9.263 8.411 1.00 0.00 H new ATOM 207 N GLY A 144 3.821 -4.809 10.957 1.00 0.00 N ATOM 208 CA GLY A 144 4.448 -3.700 11.657 1.00 0.00 C ATOM 209 C GLY A 144 3.939 -2.343 11.180 1.00 0.00 C ATOM 210 O GLY A 144 3.170 -2.247 10.221 1.00 0.00 O ATOM 0 H GLY A 144 3.224 -4.538 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.262 -3.798 12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.528 -3.749 11.515 1.00 0.00 H new ATOM 214 N LYS A 145 4.391 -1.290 11.866 1.00 0.00 N ATOM 215 CA LYS A 145 4.062 0.098 11.576 1.00 0.00 C ATOM 216 C LYS A 145 4.920 0.546 10.389 1.00 0.00 C ATOM 217 O LYS A 145 5.874 1.311 10.527 1.00 0.00 O ATOM 218 CB LYS A 145 4.242 0.917 12.862 1.00 0.00 C ATOM 219 CG LYS A 145 3.580 2.296 12.778 1.00 0.00 C ATOM 220 CD LYS A 145 3.524 2.926 14.176 1.00 0.00 C ATOM 221 CE LYS A 145 2.888 4.321 14.174 1.00 0.00 C ATOM 222 NZ LYS A 145 1.520 4.317 13.626 1.00 0.00 N ATOM 0 H LYS A 145 5.017 -1.389 12.665 1.00 0.00 H new ATOM 0 HA LYS A 145 3.025 0.244 11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.820 0.366 13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.306 1.040 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.141 2.939 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.574 2.203 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.957 2.274 14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.534 2.993 14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.867 4.708 15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.509 4.999 13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 0.964 5.072 14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.557 4.478 12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 1.073 3.398 13.816 1.00 0.00 H new ATOM 236 N HIS A 146 4.574 0.040 9.208 1.00 0.00 N ATOM 237 CA HIS A 146 5.326 0.258 7.987 1.00 0.00 C ATOM 238 C HIS A 146 5.119 1.686 7.500 1.00 0.00 C ATOM 239 O HIS A 146 3.996 2.121 7.251 1.00 0.00 O ATOM 240 CB HIS A 146 4.869 -0.745 6.925 1.00 0.00 C ATOM 241 CG HIS A 146 4.986 -2.180 7.368 1.00 0.00 C ATOM 242 ND1 HIS A 146 5.914 -2.686 8.251 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.197 -3.218 6.956 1.00 0.00 C ATOM 244 CE1 HIS A 146 5.692 -4.006 8.354 1.00 0.00 C ATOM 245 NE2 HIS A 146 4.661 -4.379 7.580 1.00 0.00 N ATOM 0 H HIS A 146 3.747 -0.543 9.076 1.00 0.00 H new ATOM 0 HA HIS A 146 6.389 0.111 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 146 3.832 -0.537 6.662 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.462 -0.602 6.022 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.637 -2.155 8.737 1.00 0.00 H new ATOM 0 HD2 HIS A 146 3.365 -3.152 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.266 -4.677 8.976 1.00 0.00 H new ATOM 253 N TYR A 147 6.226 2.425 7.401 1.00 0.00 N ATOM 254 CA TYR A 147 6.237 3.815 6.973 1.00 0.00 C ATOM 255 C TYR A 147 5.272 4.650 7.821 1.00 0.00 C ATOM 256 O TYR A 147 4.646 5.580 7.317 1.00 0.00 O ATOM 257 CB TYR A 147 5.923 3.899 5.472 1.00 0.00 C ATOM 258 CG TYR A 147 6.597 2.837 4.624 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.001 2.736 4.580 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.813 1.883 3.954 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.613 1.723 3.822 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.426 0.869 3.205 1.00 0.00 C ATOM 263 CZ TYR A 147 7.824 0.804 3.114 1.00 0.00 C ATOM 264 OH TYR A 147 8.416 -0.170 2.371 1.00 0.00 O ATOM 0 H TYR A 147 7.154 2.063 7.621 1.00 0.00 H new ATOM 0 HA TYR A 147 7.231 4.235 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.844 3.823 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.223 4.881 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.609 3.439 5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.736 1.931 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.690 1.652 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.819 0.135 2.696 1.00 0.00 H new ATOM 0 HH TYR A 147 7.727 -0.712 1.933 1.00 0.00 H new ATOM 274 N GLY A 148 5.150 4.309 9.110 1.00 0.00 N ATOM 275 CA GLY A 148 4.285 5.010 10.044 1.00 0.00 C ATOM 276 C GLY A 148 2.858 4.457 10.107 1.00 0.00 C ATOM 277 O GLY A 148 2.087 4.921 10.943 1.00 0.00 O ATOM 0 H GLY A 148 5.657 3.530 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.727 4.961 11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.244 6.063 9.765 1.00 0.00 H new ATOM 281 N VAL A 149 2.484 3.485 9.265 1.00 0.00 N ATOM 282 CA VAL A 149 1.131 2.936 9.231 1.00 0.00 C ATOM 283 C VAL A 149 1.155 1.425 9.480 1.00 0.00 C ATOM 284 O VAL A 149 1.883 0.688 8.819 1.00 0.00 O ATOM 285 CB VAL A 149 0.487 3.275 7.876 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.938 2.729 7.781 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.460 4.789 7.621 1.00 0.00 C ATOM 0 H VAL A 149 3.117 3.059 8.588 1.00 0.00 H new ATOM 0 HA VAL A 149 0.533 3.382 10.026 1.00 0.00 H new ATOM 0 HB VAL A 149 1.106 2.799 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.363 2.987 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.920 1.645 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.548 3.165 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -0.002 4.987 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -0.116 5.280 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.479 5.176 7.622 1.00 0.00 H new ATOM 297 N TYR A 150 0.338 0.948 10.424 1.00 0.00 N ATOM 298 CA TYR A 150 0.218 -0.474 10.722 1.00 0.00 C ATOM 299 C TYR A 150 -0.241 -1.220 9.471 1.00 0.00 C ATOM 300 O TYR A 150 -1.321 -0.947 8.945 1.00 0.00 O ATOM 301 CB TYR A 150 -0.753 -0.686 11.881 1.00 0.00 C ATOM 302 CG TYR A 150 -0.225 -0.215 13.220 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.656 -1.037 13.948 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.612 1.030 13.745 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.135 -0.619 15.200 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.149 1.439 15.008 1.00 0.00 C ATOM 307 CZ TYR A 150 0.721 0.612 15.736 1.00 0.00 C ATOM 308 OH TYR A 150 1.190 1.008 16.952 1.00 0.00 O ATOM 0 H TYR A 150 -0.258 1.542 11.001 1.00 0.00 H new ATOM 0 HA TYR A 150 1.188 -0.869 11.022 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.683 -0.161 11.663 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.995 -1.747 11.950 1.00 0.00 H new ATOM 0 HD1 TYR A 150 0.964 -1.990 13.543 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.267 1.674 13.177 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.822 -1.244 15.751 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.462 2.388 15.418 1.00 0.00 H new ATOM 0 HH TYR A 150 0.810 1.882 17.180 1.00 0.00 H new ATOM 318 N SER A 151 0.590 -2.138 8.973 1.00 0.00 N ATOM 319 CA SER A 151 0.308 -2.904 7.773 1.00 0.00 C ATOM 320 C SER A 151 1.090 -4.218 7.769 1.00 0.00 C ATOM 321 O SER A 151 1.827 -4.507 8.714 1.00 0.00 O ATOM 322 CB SER A 151 0.549 -2.025 6.542 1.00 0.00 C ATOM 323 OG SER A 151 -0.582 -1.204 6.322 1.00 0.00 O ATOM 0 H SER A 151 1.486 -2.368 9.402 1.00 0.00 H new ATOM 0 HA SER A 151 -0.741 -3.199 7.748 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.436 -1.409 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 151 0.735 -2.648 5.667 1.00 0.00 H new ATOM 0 HG SER A 151 -1.069 -1.085 7.164 1.00 0.00 H new ATOM 329 N CYS A 152 0.886 -5.025 6.723 1.00 0.00 N ATOM 330 CA CYS A 152 1.512 -6.326 6.546 1.00 0.00 C ATOM 331 C CYS A 152 2.743 -6.211 5.640 1.00 0.00 C ATOM 332 O CYS A 152 2.791 -5.320 4.789 1.00 0.00 O ATOM 333 CB CYS A 152 0.492 -7.334 5.992 1.00 0.00 C ATOM 334 SG CYS A 152 -0.280 -6.953 4.389 1.00 0.00 S ATOM 0 H CYS A 152 0.260 -4.777 5.956 1.00 0.00 H new ATOM 0 HA CYS A 152 1.851 -6.692 7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.988 -8.301 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.303 -7.448 6.729 1.00 0.00 H new ATOM 0 HG CYS A 152 -0.186 -5.678 4.154 1.00 0.00 H new ATOM 339 N GLU A 153 3.725 -7.111 5.794 1.00 0.00 N ATOM 340 CA GLU A 153 4.942 -7.107 4.971 1.00 0.00 C ATOM 341 C GLU A 153 4.632 -6.958 3.475 1.00 0.00 C ATOM 342 O GLU A 153 5.350 -6.266 2.754 1.00 0.00 O ATOM 343 CB GLU A 153 5.776 -8.380 5.187 1.00 0.00 C ATOM 344 CG GLU A 153 6.326 -8.547 6.609 1.00 0.00 C ATOM 345 CD GLU A 153 7.154 -7.355 7.088 1.00 0.00 C ATOM 346 OE1 GLU A 153 7.898 -6.798 6.253 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.033 -7.029 8.288 1.00 0.00 O ATOM 0 H GLU A 153 3.698 -7.858 6.488 1.00 0.00 H new ATOM 0 HA GLU A 153 5.518 -6.240 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.162 -9.247 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 153 6.611 -8.375 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.494 -8.700 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 153 6.941 -9.446 6.648 1.00 0.00 H new ATOM 354 N GLY A 154 3.553 -7.596 3.012 1.00 0.00 N ATOM 355 CA GLY A 154 3.113 -7.497 1.629 1.00 0.00 C ATOM 356 C GLY A 154 2.968 -6.031 1.215 1.00 0.00 C ATOM 357 O GLY A 154 3.494 -5.620 0.180 1.00 0.00 O ATOM 0 H GLY A 154 2.964 -8.195 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.830 -7.996 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.160 -8.011 1.507 1.00 0.00 H new ATOM 361 N CYS A 155 2.301 -5.226 2.051 1.00 0.00 N ATOM 362 CA CYS A 155 2.147 -3.805 1.809 1.00 0.00 C ATOM 363 C CYS A 155 3.504 -3.127 1.849 1.00 0.00 C ATOM 364 O CYS A 155 3.770 -2.274 1.007 1.00 0.00 O ATOM 365 CB CYS A 155 1.259 -3.152 2.859 1.00 0.00 C ATOM 366 SG CYS A 155 -0.484 -3.593 2.785 1.00 0.00 S ATOM 0 H CYS A 155 1.857 -5.551 2.910 1.00 0.00 H new ATOM 0 HA CYS A 155 1.684 -3.689 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.640 -3.414 3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.346 -2.070 2.761 1.00 0.00 H new ATOM 0 HG CYS A 155 -0.929 -3.807 3.988 1.00 0.00 H new ATOM 371 N LYS A 156 4.344 -3.486 2.829 1.00 0.00 N ATOM 372 CA LYS A 156 5.664 -2.892 2.946 1.00 0.00 C ATOM 373 C LYS A 156 6.393 -2.989 1.607 1.00 0.00 C ATOM 374 O LYS A 156 6.760 -1.961 1.033 1.00 0.00 O ATOM 375 CB LYS A 156 6.482 -3.524 4.079 1.00 0.00 C ATOM 376 CG LYS A 156 7.759 -2.709 4.313 1.00 0.00 C ATOM 377 CD LYS A 156 8.562 -3.275 5.485 1.00 0.00 C ATOM 378 CE LYS A 156 9.965 -2.653 5.539 1.00 0.00 C ATOM 379 NZ LYS A 156 9.928 -1.178 5.557 1.00 0.00 N ATOM 0 H LYS A 156 4.127 -4.181 3.543 1.00 0.00 H new ATOM 0 HA LYS A 156 5.543 -1.840 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.889 -3.559 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.737 -4.553 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.370 -2.717 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.500 -1.669 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 156 8.037 -3.079 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.643 -4.357 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 156 10.484 -3.011 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 156 10.541 -2.988 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.638 -0.821 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 10.138 -0.814 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 8.983 -0.858 5.850 1.00 0.00 H new ATOM 393 N GLY A 157 6.586 -4.219 1.124 1.00 0.00 N ATOM 394 CA GLY A 157 7.269 -4.499 -0.131 1.00 0.00 C ATOM 395 C GLY A 157 6.575 -3.817 -1.307 1.00 0.00 C ATOM 396 O GLY A 157 7.211 -3.089 -2.070 1.00 0.00 O ATOM 0 H GLY A 157 6.265 -5.059 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.302 -4.158 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.299 -5.576 -0.299 1.00 0.00 H new ATOM 400 N PHE A 158 5.266 -4.050 -1.443 1.00 0.00 N ATOM 401 CA PHE A 158 4.439 -3.471 -2.493 1.00 0.00 C ATOM 402 C PHE A 158 4.677 -1.963 -2.600 1.00 0.00 C ATOM 403 O PHE A 158 5.020 -1.451 -3.666 1.00 0.00 O ATOM 404 CB PHE A 158 2.965 -3.775 -2.194 1.00 0.00 C ATOM 405 CG PHE A 158 1.974 -2.908 -2.942 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.677 -3.175 -4.290 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.429 -1.772 -2.314 1.00 0.00 C ATOM 408 CE1 PHE A 158 0.828 -2.311 -5.001 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.633 -0.877 -3.046 1.00 0.00 C ATOM 410 CZ PHE A 158 0.333 -1.148 -4.390 1.00 0.00 C ATOM 0 H PHE A 158 4.746 -4.659 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 158 4.708 -3.913 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.768 -4.819 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.794 -3.658 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.100 -4.041 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.624 -1.589 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.555 -2.542 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.252 0.018 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.279 -0.461 -4.955 1.00 0.00 H new ATOM 420 N PHE A 159 4.488 -1.253 -1.488 1.00 0.00 N ATOM 421 CA PHE A 159 4.652 0.186 -1.433 1.00 0.00 C ATOM 422 C PHE A 159 6.100 0.553 -1.741 1.00 0.00 C ATOM 423 O PHE A 159 6.322 1.473 -2.518 1.00 0.00 O ATOM 424 CB PHE A 159 4.197 0.717 -0.073 1.00 0.00 C ATOM 425 CG PHE A 159 4.185 2.230 0.034 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.128 2.968 -0.531 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.195 2.902 0.746 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.044 4.355 -0.321 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.075 4.275 1.018 1.00 0.00 C ATOM 430 CZ PHE A 159 4.004 5.006 0.476 1.00 0.00 C ATOM 0 H PHE A 159 4.215 -1.670 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 159 4.025 0.658 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.195 0.342 0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.853 0.315 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.380 2.467 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.066 2.360 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.242 4.922 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.805 4.768 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 159 3.918 6.065 0.671 1.00 0.00 H new ATOM 440 N LYS A 160 7.081 -0.164 -1.178 1.00 0.00 N ATOM 441 CA LYS A 160 8.492 0.102 -1.450 1.00 0.00 C ATOM 442 C LYS A 160 8.730 0.133 -2.965 1.00 0.00 C ATOM 443 O LYS A 160 9.199 1.133 -3.512 1.00 0.00 O ATOM 444 CB LYS A 160 9.391 -0.937 -0.745 1.00 0.00 C ATOM 445 CG LYS A 160 10.626 -0.301 -0.092 1.00 0.00 C ATOM 446 CD LYS A 160 11.310 -1.230 0.919 1.00 0.00 C ATOM 447 CE LYS A 160 11.788 -2.543 0.289 1.00 0.00 C ATOM 448 NZ LYS A 160 12.545 -3.351 1.260 1.00 0.00 N ATOM 0 H LYS A 160 6.918 -0.935 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 160 8.759 1.079 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.810 -1.458 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.712 -1.685 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.341 -0.027 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.332 0.621 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.162 -0.714 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.615 -1.452 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.930 -3.111 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.414 -2.328 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.857 -4.234 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.376 -2.816 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 11.938 -3.574 2.074 1.00 0.00 H new ATOM 462 N ARG A 161 8.360 -0.955 -3.649 1.00 0.00 N ATOM 463 CA ARG A 161 8.480 -1.059 -5.093 1.00 0.00 C ATOM 464 C ARG A 161 7.767 0.109 -5.770 1.00 0.00 C ATOM 465 O ARG A 161 8.363 0.825 -6.573 1.00 0.00 O ATOM 466 CB ARG A 161 7.794 -2.338 -5.578 1.00 0.00 C ATOM 467 CG ARG A 161 8.450 -3.668 -5.209 1.00 0.00 C ATOM 468 CD ARG A 161 7.467 -4.811 -5.516 1.00 0.00 C ATOM 469 NE ARG A 161 7.023 -4.811 -6.924 1.00 0.00 N ATOM 470 CZ ARG A 161 5.908 -4.252 -7.430 1.00 0.00 C ATOM 471 NH1 ARG A 161 5.022 -3.607 -6.659 1.00 0.00 N ATOM 472 NH2 ARG A 161 5.683 -4.328 -8.745 1.00 0.00 N ATOM 0 H ARG A 161 7.968 -1.787 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 161 9.541 -1.060 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.776 -2.344 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.718 -2.289 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.373 -3.803 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.719 -3.675 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.942 -5.765 -5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 161 6.598 -4.723 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 161 7.631 -5.289 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 161 5.182 -3.528 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 161 4.187 -3.195 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 161 6.352 -4.805 -9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 161 4.843 -3.909 -9.144 1.00 0.00 H new ATOM 486 N THR A 162 6.473 0.266 -5.477 1.00 0.00 N ATOM 487 CA THR A 162 5.652 1.275 -6.119 1.00 0.00 C ATOM 488 C THR A 162 6.235 2.674 -5.948 1.00 0.00 C ATOM 489 O THR A 162 6.257 3.438 -6.900 1.00 0.00 O ATOM 490 CB THR A 162 4.202 1.192 -5.633 1.00 0.00 C ATOM 491 OG1 THR A 162 3.748 -0.147 -5.695 1.00 0.00 O ATOM 492 CG2 THR A 162 3.315 2.045 -6.542 1.00 0.00 C ATOM 0 H THR A 162 5.975 -0.303 -4.792 1.00 0.00 H new ATOM 0 HA THR A 162 5.650 1.069 -7.189 1.00 0.00 H new ATOM 0 HB THR A 162 4.152 1.552 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.073 -0.639 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.282 1.988 -6.199 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.652 3.081 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.379 1.674 -7.565 1.00 0.00 H new ATOM 500 N VAL A 163 6.719 3.034 -4.767 1.00 0.00 N ATOM 501 CA VAL A 163 7.296 4.348 -4.549 1.00 0.00 C ATOM 502 C VAL A 163 8.551 4.522 -5.403 1.00 0.00 C ATOM 503 O VAL A 163 8.706 5.538 -6.080 1.00 0.00 O ATOM 504 CB VAL A 163 7.578 4.525 -3.054 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.554 5.676 -2.768 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.250 4.750 -2.319 1.00 0.00 C ATOM 0 H VAL A 163 6.722 2.431 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 163 6.597 5.125 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 163 8.060 3.617 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.718 5.756 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.504 5.480 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.134 6.610 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.441 4.877 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.765 5.644 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.600 3.889 -2.471 1.00 0.00 H new ATOM 516 N ARG A 164 9.456 3.542 -5.351 1.00 0.00 N ATOM 517 CA ARG A 164 10.720 3.620 -6.075 1.00 0.00 C ATOM 518 C ARG A 164 10.550 3.629 -7.599 1.00 0.00 C ATOM 519 O ARG A 164 11.247 4.366 -8.291 1.00 0.00 O ATOM 520 CB ARG A 164 11.665 2.499 -5.615 1.00 0.00 C ATOM 521 CG ARG A 164 12.053 2.725 -4.148 1.00 0.00 C ATOM 522 CD ARG A 164 13.134 1.756 -3.654 1.00 0.00 C ATOM 523 NE ARG A 164 14.456 2.085 -4.207 1.00 0.00 N ATOM 524 CZ ARG A 164 15.259 3.067 -3.771 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.881 3.870 -2.768 1.00 0.00 N ATOM 526 NH2 ARG A 164 16.452 3.239 -4.349 1.00 0.00 N ATOM 0 H ARG A 164 9.333 2.684 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 164 11.169 4.583 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.179 1.530 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.558 2.483 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.408 3.748 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.166 2.619 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.178 1.785 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 164 12.865 0.738 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 164 14.790 1.519 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 164 13.972 3.739 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.502 4.612 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 164 16.742 2.627 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 164 17.072 3.982 -4.027 1.00 0.00 H new ATOM 540 N LYS A 165 9.668 2.779 -8.126 1.00 0.00 N ATOM 541 CA LYS A 165 9.468 2.594 -9.562 1.00 0.00 C ATOM 542 C LYS A 165 8.302 3.404 -10.150 1.00 0.00 C ATOM 543 O LYS A 165 8.305 3.704 -11.341 1.00 0.00 O ATOM 544 CB LYS A 165 9.251 1.105 -9.816 1.00 0.00 C ATOM 545 CG LYS A 165 10.483 0.264 -9.452 1.00 0.00 C ATOM 546 CD LYS A 165 10.928 -0.521 -10.689 1.00 0.00 C ATOM 547 CE LYS A 165 12.176 -1.371 -10.420 1.00 0.00 C ATOM 548 NZ LYS A 165 11.922 -2.419 -9.413 1.00 0.00 N ATOM 0 H LYS A 165 9.062 2.189 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 165 10.358 2.969 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.395 0.761 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 165 9.006 0.950 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 165 11.290 0.908 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 165 10.246 -0.419 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 165 10.115 -1.168 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.133 0.174 -11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 165 12.507 -1.834 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 165 12.986 -0.728 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 12.750 -3.044 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 11.746 -1.977 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 11.090 -2.976 -9.694 1.00 0.00 H new ATOM 562 N ASP A 166 7.293 3.725 -9.338 1.00 0.00 N ATOM 563 CA ASP A 166 6.079 4.442 -9.718 1.00 0.00 C ATOM 564 C ASP A 166 5.316 3.732 -10.837 1.00 0.00 C ATOM 565 O ASP A 166 5.036 4.308 -11.885 1.00 0.00 O ATOM 566 CB ASP A 166 6.355 5.926 -9.986 1.00 0.00 C ATOM 567 CG ASP A 166 5.063 6.742 -9.949 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.397 6.707 -8.888 1.00 0.00 O ATOM 569 OD2 ASP A 166 4.769 7.401 -10.969 1.00 0.00 O ATOM 0 H ASP A 166 7.303 3.479 -8.348 1.00 0.00 H new ATOM 0 HA ASP A 166 5.402 4.425 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.052 6.310 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 166 6.833 6.040 -10.959 1.00 0.00 H new ATOM 574 N LEU A 167 4.955 2.468 -10.589 1.00 0.00 N ATOM 575 CA LEU A 167 4.192 1.658 -11.522 1.00 0.00 C ATOM 576 C LEU A 167 2.871 2.345 -11.862 1.00 0.00 C ATOM 577 O LEU A 167 2.091 2.687 -10.971 1.00 0.00 O ATOM 578 CB LEU A 167 3.884 0.296 -10.889 1.00 0.00 C ATOM 579 CG LEU A 167 5.017 -0.737 -10.949 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.136 -1.346 -12.351 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.368 -0.195 -10.494 1.00 0.00 C ATOM 0 H LEU A 167 5.191 1.981 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 167 4.781 1.528 -12.430 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.616 0.454 -9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.008 -0.124 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 167 4.740 -1.515 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.947 -2.074 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.200 -1.840 -12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 167 5.345 -0.557 -13.074 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.118 -0.982 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 167 6.658 0.641 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.294 0.145 -9.461 1.00 0.00 H new ATOM 593 N THR A 168 2.597 2.505 -13.156 1.00 0.00 N ATOM 594 CA THR A 168 1.366 3.090 -13.647 1.00 0.00 C ATOM 595 C THR A 168 0.258 2.045 -13.513 1.00 0.00 C ATOM 596 O THR A 168 -0.157 1.447 -14.505 1.00 0.00 O ATOM 597 CB THR A 168 1.588 3.511 -15.104 1.00 0.00 C ATOM 598 OG1 THR A 168 2.105 2.405 -15.816 1.00 0.00 O ATOM 599 CG2 THR A 168 2.582 4.671 -15.189 1.00 0.00 C ATOM 0 H THR A 168 3.239 2.225 -13.898 1.00 0.00 H new ATOM 0 HA THR A 168 1.073 3.972 -13.078 1.00 0.00 H new ATOM 0 HB THR A 168 0.639 3.837 -15.530 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.568 1.609 -15.619 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.724 4.953 -16.232 1.00 0.00 H new ATOM 0 HG22 THR A 168 2.194 5.524 -14.632 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.537 4.364 -14.763 1.00 0.00 H new ATOM 607 N TYR A 169 -0.192 1.806 -12.281 1.00 0.00 N ATOM 608 CA TYR A 169 -1.234 0.830 -12.005 1.00 0.00 C ATOM 609 C TYR A 169 -2.594 1.405 -12.407 1.00 0.00 C ATOM 610 O TYR A 169 -2.744 2.611 -12.606 1.00 0.00 O ATOM 611 CB TYR A 169 -1.283 0.530 -10.503 1.00 0.00 C ATOM 612 CG TYR A 169 -0.036 -0.032 -9.844 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.597 -1.178 -10.362 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.316 0.434 -8.563 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.605 -1.827 -9.621 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.279 -0.248 -7.808 1.00 0.00 C ATOM 617 CZ TYR A 169 1.968 -1.342 -8.354 1.00 0.00 C ATOM 618 OH TYR A 169 2.966 -1.939 -7.639 1.00 0.00 O ATOM 0 H TYR A 169 0.158 2.285 -11.451 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.016 -0.078 -12.568 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.545 1.454 -9.987 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.097 -0.174 -10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.309 -1.561 -11.330 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.157 1.318 -8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.098 -2.697 -10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.493 0.070 -6.798 1.00 0.00 H new ATOM 0 HH TYR A 169 3.200 -1.376 -6.871 1.00 0.00 H new ATOM 628 N THR A 170 -3.612 0.546 -12.493 1.00 0.00 N ATOM 629 CA THR A 170 -4.976 0.951 -12.792 1.00 0.00 C ATOM 630 C THR A 170 -5.918 -0.098 -12.201 1.00 0.00 C ATOM 631 O THR A 170 -5.673 -1.297 -12.346 1.00 0.00 O ATOM 632 CB THR A 170 -5.173 1.104 -14.309 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.201 1.971 -14.858 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.553 1.677 -14.645 1.00 0.00 C ATOM 0 H THR A 170 -3.505 -0.459 -12.355 1.00 0.00 H new ATOM 0 HA THR A 170 -5.194 1.923 -12.349 1.00 0.00 H new ATOM 0 HB THR A 170 -5.077 0.105 -14.735 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.344 2.053 -15.824 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.655 1.770 -15.726 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.326 1.010 -14.264 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.661 2.659 -14.184 1.00 0.00 H new ATOM 642 N CYS A 171 -6.997 0.357 -11.559 1.00 0.00 N ATOM 643 CA CYS A 171 -8.052 -0.491 -11.029 1.00 0.00 C ATOM 644 C CYS A 171 -9.289 -0.221 -11.871 1.00 0.00 C ATOM 645 O CYS A 171 -9.545 0.931 -12.222 1.00 0.00 O ATOM 646 CB CYS A 171 -8.340 -0.191 -9.556 1.00 0.00 C ATOM 647 SG CYS A 171 -9.770 -1.109 -8.915 1.00 0.00 S ATOM 0 H CYS A 171 -7.159 1.350 -11.393 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.750 -1.537 -11.077 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.460 -0.437 -8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.517 0.878 -9.436 1.00 0.00 H new ATOM 0 HG CYS A 171 -10.830 -0.794 -9.598 1.00 0.00 H new ATOM 652 N ARG A 172 -10.064 -1.258 -12.184 1.00 0.00 N ATOM 653 CA ARG A 172 -11.281 -1.159 -12.976 1.00 0.00 C ATOM 654 C ARG A 172 -12.435 -0.581 -12.140 1.00 0.00 C ATOM 655 O ARG A 172 -13.527 -1.139 -12.120 1.00 0.00 O ATOM 656 CB ARG A 172 -11.603 -2.556 -13.523 1.00 0.00 C ATOM 657 CG ARG A 172 -10.430 -3.135 -14.339 1.00 0.00 C ATOM 658 CD ARG A 172 -9.927 -4.484 -13.800 1.00 0.00 C ATOM 659 NE ARG A 172 -9.401 -4.418 -12.426 1.00 0.00 N ATOM 660 CZ ARG A 172 -8.164 -4.025 -12.079 1.00 0.00 C ATOM 661 NH1 ARG A 172 -7.378 -3.402 -12.966 1.00 0.00 N ATOM 662 NH2 ARG A 172 -7.729 -4.240 -10.832 1.00 0.00 N ATOM 0 H ARG A 172 -9.855 -2.211 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.139 -0.472 -13.810 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -11.836 -3.226 -12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.492 -2.504 -14.151 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -10.743 -3.259 -15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -9.607 -2.420 -14.338 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -10.744 -5.204 -13.832 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -9.145 -4.860 -14.460 1.00 0.00 H new ATOM 0 HE ARG A 172 -10.030 -4.695 -11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -7.717 -3.223 -13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -6.440 -3.106 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -8.335 -4.699 -10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -6.791 -3.945 -10.561 1.00 0.00 H new ATOM 676 N ASP A 173 -12.189 0.547 -11.465 1.00 0.00 N ATOM 677 CA ASP A 173 -13.124 1.278 -10.619 1.00 0.00 C ATOM 678 C ASP A 173 -12.621 2.728 -10.564 1.00 0.00 C ATOM 679 O ASP A 173 -12.363 3.322 -11.606 1.00 0.00 O ATOM 680 CB ASP A 173 -13.231 0.642 -9.220 1.00 0.00 C ATOM 681 CG ASP A 173 -13.802 -0.773 -9.215 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.046 -0.882 -9.269 1.00 0.00 O ATOM 683 OD2 ASP A 173 -12.984 -1.716 -9.124 1.00 0.00 O ATOM 0 H ASP A 173 -11.274 0.997 -11.500 1.00 0.00 H new ATOM 0 HA ASP A 173 -14.134 1.245 -11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.240 0.623 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.857 1.276 -8.592 1.00 0.00 H new ATOM 688 N ASN A 174 -12.427 3.294 -9.368 1.00 0.00 N ATOM 689 CA ASN A 174 -11.895 4.625 -9.089 1.00 0.00 C ATOM 690 C ASN A 174 -11.086 4.493 -7.799 1.00 0.00 C ATOM 691 O ASN A 174 -11.263 3.515 -7.073 1.00 0.00 O ATOM 692 CB ASN A 174 -13.026 5.653 -8.878 1.00 0.00 C ATOM 693 CG ASN A 174 -13.462 6.451 -10.110 1.00 0.00 C ATOM 694 OD1 ASN A 174 -13.903 7.585 -9.967 1.00 0.00 O ATOM 695 ND2 ASN A 174 -13.339 5.921 -11.321 1.00 0.00 N ATOM 0 H ASN A 174 -12.656 2.794 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 174 -11.293 4.977 -9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -13.897 5.127 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -12.708 6.358 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -13.613 6.459 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -12.971 4.976 -11.429 1.00 0.00 H new ATOM 702 N LYS A 175 -10.229 5.474 -7.494 1.00 0.00 N ATOM 703 CA LYS A 175 -9.377 5.499 -6.302 1.00 0.00 C ATOM 704 C LYS A 175 -10.110 5.210 -4.982 1.00 0.00 C ATOM 705 O LYS A 175 -9.477 4.813 -4.008 1.00 0.00 O ATOM 706 CB LYS A 175 -8.624 6.836 -6.223 1.00 0.00 C ATOM 707 CG LYS A 175 -9.550 8.063 -6.200 1.00 0.00 C ATOM 708 CD LYS A 175 -8.795 9.349 -5.830 1.00 0.00 C ATOM 709 CE LYS A 175 -7.593 9.653 -6.735 1.00 0.00 C ATOM 710 NZ LYS A 175 -7.963 9.697 -8.161 1.00 0.00 N ATOM 0 H LYS A 175 -10.106 6.295 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 175 -8.673 4.675 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -8.004 6.842 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -7.951 6.915 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.015 8.185 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -10.354 7.896 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.488 10.189 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -8.449 9.271 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -7.156 10.609 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -6.826 8.893 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -7.559 8.873 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -8.999 9.679 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -7.593 10.570 -8.589 1.00 0.00 H new ATOM 724 N ASP A 176 -11.431 5.414 -4.940 1.00 0.00 N ATOM 725 CA ASP A 176 -12.238 5.202 -3.746 1.00 0.00 C ATOM 726 C ASP A 176 -12.487 3.712 -3.478 1.00 0.00 C ATOM 727 O ASP A 176 -12.776 3.346 -2.342 1.00 0.00 O ATOM 728 CB ASP A 176 -13.568 5.948 -3.911 1.00 0.00 C ATOM 729 CG ASP A 176 -14.464 5.781 -2.687 1.00 0.00 C ATOM 730 OD1 ASP A 176 -14.130 6.398 -1.653 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.467 5.046 -2.814 1.00 0.00 O ATOM 0 H ASP A 176 -11.970 5.734 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 176 -11.694 5.590 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -13.373 7.007 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.086 5.577 -4.795 1.00 0.00 H new ATOM 736 N CYS A 177 -12.361 2.852 -4.495 1.00 0.00 N ATOM 737 CA CYS A 177 -12.547 1.410 -4.360 1.00 0.00 C ATOM 738 C CYS A 177 -11.655 0.865 -3.236 1.00 0.00 C ATOM 739 O CYS A 177 -10.429 0.866 -3.340 1.00 0.00 O ATOM 740 CB CYS A 177 -12.293 0.749 -5.720 1.00 0.00 C ATOM 741 SG CYS A 177 -11.909 -1.017 -5.740 1.00 0.00 S ATOM 0 H CYS A 177 -12.125 3.145 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.571 1.174 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -13.176 0.907 -6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.469 1.276 -6.200 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.620 -1.180 -5.770 1.00 0.00 H new ATOM 746 N LEU A 178 -12.285 0.453 -2.133 1.00 0.00 N ATOM 747 CA LEU A 178 -11.615 -0.017 -0.929 1.00 0.00 C ATOM 748 C LEU A 178 -10.873 -1.334 -1.154 1.00 0.00 C ATOM 749 O LEU A 178 -11.198 -2.093 -2.068 1.00 0.00 O ATOM 750 CB LEU A 178 -12.639 -0.186 0.206 1.00 0.00 C ATOM 751 CG LEU A 178 -13.444 1.081 0.542 1.00 0.00 C ATOM 752 CD1 LEU A 178 -14.459 0.747 1.640 1.00 0.00 C ATOM 753 CD2 LEU A 178 -12.545 2.227 1.021 1.00 0.00 C ATOM 0 H LEU A 178 -13.302 0.439 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.874 0.734 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.335 -0.980 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.115 -0.515 1.103 1.00 0.00 H new ATOM 0 HG LEU A 178 -13.946 1.411 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -15.035 1.639 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -15.132 -0.035 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.932 0.399 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.157 3.100 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -12.009 1.918 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -11.828 2.478 0.239 1.00 0.00 H new ATOM 765 N ILE A 179 -9.921 -1.625 -0.262 1.00 0.00 N ATOM 766 CA ILE A 179 -9.157 -2.862 -0.222 1.00 0.00 C ATOM 767 C ILE A 179 -9.479 -3.527 1.113 1.00 0.00 C ATOM 768 O ILE A 179 -9.471 -2.858 2.143 1.00 0.00 O ATOM 769 CB ILE A 179 -7.645 -2.590 -0.282 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.221 -1.641 -1.408 1.00 0.00 C ATOM 771 CG2 ILE A 179 -6.883 -3.923 -0.385 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.495 -2.213 -2.794 1.00 0.00 C ATOM 0 H ILE A 179 -9.656 -0.975 0.478 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.418 -3.487 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.388 -2.075 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -7.751 -0.695 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.157 -1.424 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -5.812 -3.727 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.105 -4.538 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.192 -4.450 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.175 -1.498 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -6.944 -3.145 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.562 -2.405 -2.904 1.00 0.00 H new ATOM 784 N ASP A 180 -9.737 -4.834 1.099 1.00 0.00 N ATOM 785 CA ASP A 180 -10.004 -5.649 2.269 1.00 0.00 C ATOM 786 C ASP A 180 -9.639 -7.077 1.873 1.00 0.00 C ATOM 787 O ASP A 180 -9.372 -7.343 0.698 1.00 0.00 O ATOM 788 CB ASP A 180 -11.482 -5.592 2.707 1.00 0.00 C ATOM 789 CG ASP A 180 -12.027 -4.183 2.910 1.00 0.00 C ATOM 790 OD1 ASP A 180 -12.546 -3.632 1.912 1.00 0.00 O ATOM 791 OD2 ASP A 180 -11.938 -3.696 4.058 1.00 0.00 O ATOM 0 H ASP A 180 -9.765 -5.371 0.232 1.00 0.00 H new ATOM 0 HA ASP A 180 -9.424 -5.284 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.090 -6.099 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -11.594 -6.149 3.637 1.00 0.00 H new ATOM 921 N CYS A 187 -5.736 -4.934 -7.563 1.00 0.00 N ATOM 922 CA CYS A 187 -6.289 -3.637 -7.199 1.00 0.00 C ATOM 923 C CYS A 187 -5.147 -2.746 -6.689 1.00 0.00 C ATOM 924 O CYS A 187 -5.219 -2.090 -5.651 1.00 0.00 O ATOM 925 CB CYS A 187 -7.397 -3.919 -6.175 1.00 0.00 C ATOM 926 SG CYS A 187 -8.512 -2.553 -5.823 1.00 0.00 S ATOM 0 HA CYS A 187 -6.734 -3.089 -8.030 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.989 -4.762 -6.532 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.930 -4.231 -5.241 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.949 -2.050 -6.940 1.00 0.00 H new ATOM 931 N GLN A 188 -4.061 -2.757 -7.460 1.00 0.00 N ATOM 932 CA GLN A 188 -2.793 -2.123 -7.137 1.00 0.00 C ATOM 933 C GLN A 188 -2.905 -0.604 -7.033 1.00 0.00 C ATOM 934 O GLN A 188 -2.397 -0.009 -6.084 1.00 0.00 O ATOM 935 CB GLN A 188 -1.733 -2.575 -8.151 1.00 0.00 C ATOM 936 CG GLN A 188 -1.634 -4.103 -8.298 1.00 0.00 C ATOM 937 CD GLN A 188 -1.554 -4.833 -6.960 1.00 0.00 C ATOM 938 OE1 GLN A 188 -2.576 -5.162 -6.360 1.00 0.00 O ATOM 939 NE2 GLN A 188 -0.346 -5.098 -6.475 1.00 0.00 N ATOM 0 H GLN A 188 -4.045 -3.229 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.482 -2.446 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.963 -2.139 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.762 -2.184 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -2.501 -4.465 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.753 -4.348 -8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 188 0.485 -4.814 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 188 -0.250 -5.586 -5.584 1.00 0.00 H new ATOM 948 N TYR A 189 -3.576 0.031 -7.994 1.00 0.00 N ATOM 949 CA TYR A 189 -3.758 1.477 -7.980 1.00 0.00 C ATOM 950 C TYR A 189 -4.401 1.911 -6.664 1.00 0.00 C ATOM 951 O TYR A 189 -3.902 2.797 -5.972 1.00 0.00 O ATOM 952 CB TYR A 189 -4.619 1.900 -9.173 1.00 0.00 C ATOM 953 CG TYR A 189 -4.985 3.370 -9.173 1.00 0.00 C ATOM 954 CD1 TYR A 189 -3.970 4.342 -9.110 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.335 3.766 -9.140 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.303 5.703 -9.010 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.665 5.131 -9.088 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.650 6.098 -9.005 1.00 0.00 C ATOM 959 OH TYR A 189 -5.975 7.402 -8.787 1.00 0.00 O ATOM 0 H TYR A 189 -4.003 -0.438 -8.793 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.787 1.965 -8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.085 1.668 -10.095 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.534 1.307 -9.177 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -2.933 4.041 -9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.117 3.021 -9.155 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.522 6.446 -8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.701 5.437 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 189 -5.300 7.815 -8.209 1.00 0.00 H new ATOM 969 N CYS A 190 -5.507 1.257 -6.318 1.00 0.00 N ATOM 970 CA CYS A 190 -6.221 1.519 -5.088 1.00 0.00 C ATOM 971 C CYS A 190 -5.309 1.261 -3.889 1.00 0.00 C ATOM 972 O CYS A 190 -5.247 2.108 -3.009 1.00 0.00 O ATOM 973 CB CYS A 190 -7.476 0.662 -5.055 1.00 0.00 C ATOM 974 SG CYS A 190 -8.758 1.174 -6.218 1.00 0.00 S ATOM 0 H CYS A 190 -5.929 0.527 -6.892 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.524 2.565 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.202 -0.371 -5.267 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -7.888 0.682 -4.046 1.00 0.00 H new ATOM 0 HG CYS A 190 -9.020 0.196 -7.033 1.00 0.00 H new ATOM 979 N ARG A 191 -4.585 0.134 -3.842 1.00 0.00 N ATOM 980 CA ARG A 191 -3.653 -0.129 -2.742 1.00 0.00 C ATOM 981 C ARG A 191 -2.667 1.034 -2.566 1.00 0.00 C ATOM 982 O ARG A 191 -2.477 1.531 -1.456 1.00 0.00 O ATOM 983 CB ARG A 191 -2.890 -1.444 -2.962 1.00 0.00 C ATOM 984 CG ARG A 191 -3.777 -2.651 -2.662 1.00 0.00 C ATOM 985 CD ARG A 191 -3.032 -3.971 -2.872 1.00 0.00 C ATOM 986 NE ARG A 191 -3.878 -5.083 -2.420 1.00 0.00 N ATOM 987 CZ ARG A 191 -4.657 -5.859 -3.189 1.00 0.00 C ATOM 988 NH1 ARG A 191 -4.498 -5.920 -4.515 1.00 0.00 N ATOM 989 NH2 ARG A 191 -5.612 -6.584 -2.598 1.00 0.00 N ATOM 0 H ARG A 191 -4.627 -0.602 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.242 -0.224 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.537 -1.495 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.009 -1.468 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.132 -2.594 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.657 -2.624 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.779 -4.096 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -2.093 -3.964 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 191 -3.873 -5.286 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -3.769 -5.368 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -5.105 -6.519 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -5.734 -6.539 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -6.218 -7.183 -3.159 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.044 1.474 -3.663 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.097 2.583 -3.649 1.00 0.00 C ATOM 1005 C TYR A 192 -1.782 3.840 -3.106 1.00 0.00 C ATOM 1006 O TYR A 192 -1.299 4.458 -2.156 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.531 2.771 -5.065 1.00 0.00 C ATOM 1008 CG TYR A 192 0.506 3.863 -5.279 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.521 4.108 -4.331 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.596 4.456 -6.555 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.592 4.964 -4.648 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.676 5.296 -6.875 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.676 5.551 -5.924 1.00 0.00 C ATOM 1014 OH TYR A 192 3.763 6.307 -6.253 1.00 0.00 O ATOM 0 H TYR A 192 -2.186 1.067 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.258 2.372 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.089 1.825 -5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.367 2.968 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.476 3.638 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.170 4.263 -7.291 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.352 5.171 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.737 5.746 -7.855 1.00 0.00 H new ATOM 0 HH TYR A 192 3.858 6.336 -7.228 1.00 0.00 H new ATOM 1024 N GLN A 193 -2.930 4.201 -3.686 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.705 5.346 -3.242 1.00 0.00 C ATOM 1026 C GLN A 193 -4.051 5.246 -1.755 1.00 0.00 C ATOM 1027 O GLN A 193 -3.960 6.245 -1.050 1.00 0.00 O ATOM 1028 CB GLN A 193 -4.979 5.470 -4.089 1.00 0.00 C ATOM 1029 CG GLN A 193 -4.708 5.964 -5.519 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.423 7.463 -5.652 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -4.278 7.963 -6.763 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -4.361 8.214 -4.555 1.00 0.00 N ATOM 0 H GLN A 193 -3.342 3.703 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.099 6.242 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.474 4.500 -4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.669 6.157 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -3.858 5.413 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.570 5.719 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -4.483 7.787 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -4.191 9.217 -4.632 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.436 4.062 -1.273 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.777 3.834 0.122 1.00 0.00 C ATOM 1043 C LYS A 194 -3.556 4.111 0.991 1.00 0.00 C ATOM 1044 O LYS A 194 -3.641 4.887 1.941 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.300 2.400 0.322 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.827 2.358 0.437 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.538 2.733 -0.867 1.00 0.00 C ATOM 1048 CE LYS A 194 -8.996 3.061 -0.541 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.809 3.164 -1.763 1.00 0.00 N ATOM 0 H LYS A 194 -4.519 3.227 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.575 4.514 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.982 1.778 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.857 1.974 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.135 1.357 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.145 3.039 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.051 3.590 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.484 1.910 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.408 2.288 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.045 4.000 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.792 3.387 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.429 3.918 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.781 2.260 -2.276 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.423 3.488 0.663 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.182 3.689 1.397 1.00 0.00 C ATOM 1065 C ALA A 195 -0.855 5.180 1.500 1.00 0.00 C ATOM 1066 O ALA A 195 -0.570 5.690 2.585 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.045 2.936 0.707 1.00 0.00 C ATOM 0 H ALA A 195 -2.344 2.834 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.302 3.298 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.882 3.090 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.278 1.872 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 195 0.074 3.309 -0.310 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.912 5.883 0.366 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.641 7.309 0.332 1.00 0.00 C ATOM 1075 C LEU A 196 -1.635 8.065 1.218 1.00 0.00 C ATOM 1076 O LEU A 196 -1.235 8.800 2.118 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.682 7.808 -1.119 1.00 0.00 C ATOM 1078 CG LEU A 196 0.461 7.273 -2.001 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.165 7.615 -3.465 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.823 7.864 -1.612 1.00 0.00 C ATOM 0 H LEU A 196 -1.145 5.479 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 196 0.356 7.498 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.635 7.521 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.646 8.897 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 196 0.515 6.194 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.970 7.239 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.776 7.153 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 196 0.090 8.697 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.596 7.456 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.793 8.948 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 196 2.048 7.608 -0.577 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.930 7.872 0.970 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.015 8.518 1.697 1.00 0.00 C ATOM 1094 C ALA A 197 -3.886 8.335 3.209 1.00 0.00 C ATOM 1095 O ALA A 197 -4.068 9.289 3.963 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.363 7.986 1.199 1.00 0.00 C ATOM 0 H ALA A 197 -3.259 7.244 0.237 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.955 9.589 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.171 8.472 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.467 8.197 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.412 6.909 1.362 1.00 0.00 H new ATOM 1102 N MET A 198 -3.570 7.117 3.659 1.00 0.00 N ATOM 1103 CA MET A 198 -3.416 6.817 5.078 1.00 0.00 C ATOM 1104 C MET A 198 -2.083 7.322 5.647 1.00 0.00 C ATOM 1105 O MET A 198 -1.843 7.194 6.845 1.00 0.00 O ATOM 1106 CB MET A 198 -3.708 5.333 5.339 1.00 0.00 C ATOM 1107 CG MET A 198 -5.231 5.129 5.274 1.00 0.00 C ATOM 1108 SD MET A 198 -5.863 3.439 5.395 1.00 0.00 S ATOM 1109 CE MET A 198 -5.347 2.804 3.790 1.00 0.00 C ATOM 0 H MET A 198 -3.415 6.315 3.048 1.00 0.00 H new ATOM 0 HA MET A 198 -4.161 7.379 5.640 1.00 0.00 H new ATOM 0 HB2 MET A 198 -3.208 4.710 4.597 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.325 5.035 6.315 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.681 5.713 6.077 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.586 5.552 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 198 -5.778 1.815 3.634 1.00 0.00 H new ATOM 0 HE2 MET A 198 -5.691 3.477 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 198 -4.260 2.735 3.759 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.241 7.952 4.822 1.00 0.00 N ATOM 1120 CA GLY A 199 -0.036 8.614 5.276 1.00 0.00 C ATOM 1121 C GLY A 199 1.186 7.716 5.365 1.00 0.00 C ATOM 1122 O GLY A 199 2.045 7.970 6.210 1.00 0.00 O ATOM 0 H GLY A 199 -1.387 8.012 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.185 9.440 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.224 9.048 6.258 1.00 0.00 H new ATOM 1126 N MET A 200 1.318 6.714 4.486 1.00 0.00 N ATOM 1127 CA MET A 200 2.552 5.937 4.463 1.00 0.00 C ATOM 1128 C MET A 200 3.670 6.886 4.028 1.00 0.00 C ATOM 1129 O MET A 200 3.631 7.440 2.929 1.00 0.00 O ATOM 1130 CB MET A 200 2.455 4.704 3.556 1.00 0.00 C ATOM 1131 CG MET A 200 1.703 3.576 4.268 1.00 0.00 C ATOM 1132 SD MET A 200 1.884 1.926 3.554 1.00 0.00 S ATOM 1133 CE MET A 200 1.202 0.940 4.904 1.00 0.00 C ATOM 0 H MET A 200 0.611 6.433 3.807 1.00 0.00 H new ATOM 0 HA MET A 200 2.758 5.534 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.941 4.965 2.631 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.455 4.367 3.282 1.00 0.00 H new ATOM 0 HG2 MET A 200 2.039 3.540 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.643 3.828 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.069 -0.089 4.571 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.886 0.962 5.752 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.238 1.352 5.205 1.00 0.00 H new ATOM 1143 N LYS A 201 4.639 7.121 4.914 1.00 0.00 N ATOM 1144 CA LYS A 201 5.713 8.066 4.692 1.00 0.00 C ATOM 1145 C LYS A 201 6.644 7.614 3.573 1.00 0.00 C ATOM 1146 O LYS A 201 7.680 7.002 3.825 1.00 0.00 O ATOM 1147 CB LYS A 201 6.464 8.325 6.002 1.00 0.00 C ATOM 1148 CG LYS A 201 5.554 8.841 7.126 1.00 0.00 C ATOM 1149 CD LYS A 201 4.778 10.116 6.767 1.00 0.00 C ATOM 1150 CE LYS A 201 3.945 10.615 7.954 1.00 0.00 C ATOM 1151 NZ LYS A 201 2.966 9.604 8.394 1.00 0.00 N ATOM 0 H LYS A 201 4.693 6.649 5.816 1.00 0.00 H new ATOM 0 HA LYS A 201 5.279 9.009 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.945 7.402 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.257 9.051 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 201 4.843 8.058 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.161 9.034 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 201 5.476 10.894 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.123 9.919 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.606 10.867 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 201 3.423 11.530 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.147 10.078 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 2.652 9.046 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 3.408 8.974 9.093 1.00 0.00 H new ATOM 1165 N ARG A 202 6.271 7.963 2.338 1.00 0.00 N ATOM 1166 CA ARG A 202 7.014 7.727 1.107 1.00 0.00 C ATOM 1167 C ARG A 202 8.515 7.944 1.335 1.00 0.00 C ATOM 1168 O ARG A 202 9.343 7.136 0.921 1.00 0.00 O ATOM 1169 CB ARG A 202 6.478 8.696 0.037 1.00 0.00 C ATOM 1170 CG ARG A 202 6.999 8.339 -1.358 1.00 0.00 C ATOM 1171 CD ARG A 202 6.549 9.342 -2.426 1.00 0.00 C ATOM 1172 NE ARG A 202 6.884 8.842 -3.770 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.088 8.103 -4.560 1.00 0.00 C ATOM 1174 NH1 ARG A 202 4.817 7.859 -4.232 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.567 7.579 -5.693 1.00 0.00 N ATOM 0 H ARG A 202 5.389 8.446 2.166 1.00 0.00 H new ATOM 0 HA ARG A 202 6.881 6.697 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.388 8.672 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.774 9.715 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 202 8.088 8.300 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.649 7.343 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 202 5.474 9.507 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 202 7.032 10.304 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 202 7.807 9.079 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 202 4.432 8.237 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 202 4.231 7.295 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 202 7.539 7.740 -5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 202 5.961 7.018 -6.292 1.00 0.00 H new ATOM 1189 N GLU A 203 8.849 9.029 2.036 1.00 0.00 N ATOM 1190 CA GLU A 203 10.197 9.430 2.386 1.00 0.00 C ATOM 1191 C GLU A 203 11.033 8.262 2.925 1.00 0.00 C ATOM 1192 O GLU A 203 12.202 8.120 2.567 1.00 0.00 O ATOM 1193 CB GLU A 203 10.122 10.545 3.440 1.00 0.00 C ATOM 1194 CG GLU A 203 9.241 11.742 3.041 1.00 0.00 C ATOM 1195 CD GLU A 203 7.818 11.625 3.590 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.019 10.910 2.946 1.00 0.00 O ATOM 1197 OE2 GLU A 203 7.565 12.219 4.659 1.00 0.00 O ATOM 0 H GLU A 203 8.146 9.678 2.389 1.00 0.00 H new ATOM 0 HA GLU A 203 10.690 9.785 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 203 9.741 10.123 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.131 10.904 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 203 9.695 12.663 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.204 11.816 1.954 1.00 0.00 H new ATOM 1204 N ALA A 204 10.439 7.436 3.789 1.00 0.00 N ATOM 1205 CA ALA A 204 11.116 6.319 4.429 1.00 0.00 C ATOM 1206 C ALA A 204 11.483 5.200 3.452 1.00 0.00 C ATOM 1207 O ALA A 204 12.433 4.466 3.710 1.00 0.00 O ATOM 1208 CB ALA A 204 10.266 5.796 5.586 1.00 0.00 C ATOM 0 H ALA A 204 9.461 7.530 4.064 1.00 0.00 H new ATOM 0 HA ALA A 204 12.064 6.690 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.776 4.959 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.115 6.592 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.300 5.463 5.206 1.00 0.00 H new ATOM 1214 N VAL A 205 10.792 5.063 2.315 1.00 0.00 N ATOM 1215 CA VAL A 205 11.135 4.037 1.328 1.00 0.00 C ATOM 1216 C VAL A 205 12.579 4.207 0.844 1.00 0.00 C ATOM 1217 O VAL A 205 13.235 3.247 0.437 1.00 0.00 O ATOM 1218 CB VAL A 205 10.142 4.082 0.161 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.653 3.271 -1.032 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.771 3.571 0.620 1.00 0.00 C ATOM 0 H VAL A 205 9.996 5.647 2.058 1.00 0.00 H new ATOM 0 HA VAL A 205 11.065 3.056 1.798 1.00 0.00 H new ATOM 0 HB VAL A 205 10.040 5.117 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.928 3.322 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.605 3.681 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.791 2.232 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.071 3.606 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.865 2.544 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.401 4.199 1.430 1.00 0.00 H new ATOM 1230 N GLN A 206 13.098 5.433 0.922 1.00 0.00 N ATOM 1231 CA GLN A 206 14.462 5.744 0.542 1.00 0.00 C ATOM 1232 C GLN A 206 15.483 4.972 1.398 1.00 0.00 C ATOM 1233 O GLN A 206 16.655 4.919 1.031 1.00 0.00 O ATOM 1234 CB GLN A 206 14.649 7.262 0.586 1.00 0.00 C ATOM 1235 CG GLN A 206 13.618 7.961 -0.323 1.00 0.00 C ATOM 1236 CD GLN A 206 13.752 9.476 -0.246 1.00 0.00 C ATOM 1237 OE1 GLN A 206 14.130 10.127 -1.217 1.00 0.00 O ATOM 1238 NE2 GLN A 206 13.444 10.041 0.915 1.00 0.00 N ATOM 0 H GLN A 206 12.572 6.241 1.255 1.00 0.00 H new ATOM 0 HA GLN A 206 14.650 5.411 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.540 7.618 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.659 7.519 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 206 13.757 7.633 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 206 12.611 7.667 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 206 13.134 9.464 1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 206 13.517 11.052 1.025 1.00 0.00 H new ATOM 1247 N GLU A 207 15.046 4.329 2.495 1.00 0.00 N ATOM 1248 CA GLU A 207 15.865 3.485 3.362 1.00 0.00 C ATOM 1249 C GLU A 207 16.717 2.490 2.570 1.00 0.00 C ATOM 1250 O GLU A 207 17.810 2.125 2.996 1.00 0.00 O ATOM 1251 CB GLU A 207 14.959 2.737 4.354 1.00 0.00 C ATOM 1252 CG GLU A 207 13.995 1.738 3.684 1.00 0.00 C ATOM 1253 CD GLU A 207 12.950 1.166 4.640 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.067 1.422 5.858 1.00 0.00 O ATOM 1255 OE2 GLU A 207 12.046 0.466 4.130 1.00 0.00 O ATOM 0 H GLU A 207 14.077 4.389 2.807 1.00 0.00 H new ATOM 0 HA GLU A 207 16.554 4.134 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 207 15.583 2.201 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.378 3.464 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 207 13.487 2.234 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.573 0.918 3.257 1.00 0.00 H new