USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.6!) USER MOD Single : A 164 LYS NZ :NH3+ 170:sc=-0.00315 (180deg=-0.097) USER MOD Single : A 165 GLN : amide:sc= 0.195 K(o=0.2,f=-0.36) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -94:sc= 1.5 USER MOD Single : A 180 SER OG : rot 150:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0168) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl -124:sc=-0.00284 (180deg=-2.12!) USER MOD Single : A 194 CYS SG : rot -7:sc= -0.455 USER MOD Single : A 195 CYS SG : rot 150:sc= -0.947 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN :FLIP amide:sc= -0.696 F(o=-2.2!,f=-0.7) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -179:sc= -0.677 (180deg=-0.691) USER MOD Single : A 212 THR OG1 : rot 86:sc= 0.669 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 86:sc= 0.75 USER MOD Single : A 223 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.697 14.867 -7.686 1.00 24.23 N ATOM 115 CA LYS A 154 7.086 13.456 -7.578 1.00 72.22 C ATOM 116 C LYS A 154 6.017 12.521 -8.173 1.00 31.33 C ATOM 117 O LYS A 154 4.830 12.856 -8.192 1.00 61.13 O ATOM 118 CB LYS A 154 7.291 13.094 -6.097 1.00 34.41 C ATOM 119 CG LYS A 154 8.393 13.883 -5.385 1.00 12.02 C ATOM 120 CD LYS A 154 9.753 13.179 -5.437 1.00 13.35 C ATOM 121 CE LYS A 154 10.360 13.166 -6.836 1.00 1.42 C ATOM 122 NZ LYS A 154 11.655 12.435 -6.872 1.00 41.32 N ATOM 0 HA LYS A 154 8.010 13.323 -8.140 1.00 72.22 H new ATOM 0 HB2 LYS A 154 6.352 13.251 -5.567 1.00 34.41 H new ATOM 0 HB3 LYS A 154 7.523 12.031 -6.027 1.00 34.41 H new ATOM 0 HG2 LYS A 154 8.481 14.869 -5.842 1.00 12.02 H new ATOM 0 HG3 LYS A 154 8.108 14.038 -4.344 1.00 12.02 H new ATOM 0 HD2 LYS A 154 10.440 13.676 -4.753 1.00 13.35 H new ATOM 0 HD3 LYS A 154 9.639 12.153 -5.086 1.00 13.35 H new ATOM 0 HE2 LYS A 154 9.661 12.700 -7.531 1.00 1.42 H new ATOM 0 HE3 LYS A 154 10.512 14.191 -7.175 1.00 1.42 H new ATOM 0 HZ1 LYS A 154 12.035 12.449 -7.840 1.00 41.32 H new ATOM 0 HZ2 LYS A 154 12.331 12.894 -6.228 1.00 41.32 H new ATOM 0 HZ3 LYS A 154 11.506 11.450 -6.573 1.00 41.32 H new ATOM 136 N PRO A 155 6.421 11.335 -8.669 1.00 1.11 N ATOM 137 CA PRO A 155 5.470 10.276 -9.044 1.00 51.30 C ATOM 138 C PRO A 155 4.859 9.616 -7.793 1.00 3.13 C ATOM 139 O PRO A 155 5.568 8.984 -7.011 1.00 21.32 O ATOM 140 CB PRO A 155 6.340 9.278 -9.820 1.00 65.31 C ATOM 141 CG PRO A 155 7.716 9.470 -9.268 1.00 32.32 C ATOM 142 CD PRO A 155 7.824 10.933 -8.920 1.00 52.53 C ATOM 0 HA PRO A 155 4.625 10.648 -9.624 1.00 51.30 H new ATOM 0 HB2 PRO A 155 5.994 8.254 -9.676 1.00 65.31 H new ATOM 0 HB3 PRO A 155 6.311 9.476 -10.891 1.00 65.31 H new ATOM 0 HG2 PRO A 155 7.874 8.847 -8.388 1.00 32.32 H new ATOM 0 HG3 PRO A 155 8.473 9.186 -9.999 1.00 32.32 H new ATOM 0 HD2 PRO A 155 8.450 11.091 -8.042 1.00 52.53 H new ATOM 0 HD3 PRO A 155 8.266 11.507 -9.734 1.00 52.53 H new ATOM 150 N ILE A 156 3.551 9.770 -7.594 1.00 75.05 N ATOM 151 CA ILE A 156 2.908 9.327 -6.345 1.00 42.54 C ATOM 152 C ILE A 156 1.907 8.177 -6.556 1.00 53.41 C ATOM 153 O ILE A 156 1.434 7.929 -7.668 1.00 24.22 O ATOM 154 CB ILE A 156 2.211 10.514 -5.615 1.00 74.23 C ATOM 155 CG1 ILE A 156 1.152 11.203 -6.512 1.00 34.01 C ATOM 156 CG2 ILE A 156 3.252 11.529 -5.136 1.00 15.51 C ATOM 157 CD1 ILE A 156 -0.222 10.556 -6.476 1.00 72.42 C ATOM 0 H ILE A 156 2.916 10.193 -8.271 1.00 75.05 H new ATOM 0 HA ILE A 156 3.712 8.943 -5.717 1.00 42.54 H new ATOM 0 HB ILE A 156 1.688 10.107 -4.750 1.00 74.23 H new ATOM 0 HG12 ILE A 156 1.057 12.245 -6.205 1.00 34.01 H new ATOM 0 HG13 ILE A 156 1.512 11.205 -7.541 1.00 34.01 H new ATOM 0 HG21 ILE A 156 2.750 12.353 -4.628 1.00 15.51 H new ATOM 0 HG22 ILE A 156 3.943 11.044 -4.446 1.00 15.51 H new ATOM 0 HG23 ILE A 156 3.805 11.914 -5.992 1.00 15.51 H new ATOM 0 HD11 ILE A 156 -0.899 11.103 -7.132 1.00 72.42 H new ATOM 0 HD12 ILE A 156 -0.146 9.522 -6.813 1.00 72.42 H new ATOM 0 HD13 ILE A 156 -0.608 10.578 -5.457 1.00 72.42 H new ATOM 169 N VAL A 157 1.601 7.474 -5.466 1.00 34.00 N ATOM 170 CA VAL A 157 0.630 6.375 -5.473 1.00 33.30 C ATOM 171 C VAL A 157 -0.489 6.636 -4.445 1.00 50.13 C ATOM 172 O VAL A 157 -0.222 7.105 -3.336 1.00 43.31 O ATOM 173 CB VAL A 157 1.319 5.023 -5.144 1.00 4.11 C ATOM 174 CG1 VAL A 157 0.326 3.864 -5.215 1.00 14.30 C ATOM 175 CG2 VAL A 157 2.511 4.774 -6.074 1.00 15.51 C ATOM 0 H VAL A 157 2.018 7.649 -4.552 1.00 34.00 H new ATOM 0 HA VAL A 157 0.200 6.321 -6.473 1.00 33.30 H new ATOM 0 HB VAL A 157 1.692 5.082 -4.122 1.00 4.11 H new ATOM 0 HG11 VAL A 157 0.838 2.931 -4.980 1.00 14.30 H new ATOM 0 HG12 VAL A 157 -0.477 4.028 -4.496 1.00 14.30 H new ATOM 0 HG13 VAL A 157 -0.093 3.805 -6.220 1.00 14.30 H new ATOM 0 HG21 VAL A 157 2.976 3.821 -5.822 1.00 15.51 H new ATOM 0 HG22 VAL A 157 2.167 4.748 -7.108 1.00 15.51 H new ATOM 0 HG23 VAL A 157 3.240 5.576 -5.954 1.00 15.51 H new ATOM 185 N ARG A 158 -1.736 6.331 -4.812 1.00 2.51 N ATOM 186 CA ARG A 158 -2.880 6.556 -3.913 1.00 73.42 C ATOM 187 C ARG A 158 -3.179 5.292 -3.095 1.00 34.54 C ATOM 188 O ARG A 158 -3.622 4.284 -3.642 1.00 72.42 O ATOM 189 CB ARG A 158 -4.140 6.962 -4.699 1.00 60.44 C ATOM 190 CG ARG A 158 -3.957 8.157 -5.639 1.00 71.51 C ATOM 191 CD ARG A 158 -3.338 7.755 -6.978 1.00 12.12 C ATOM 192 NE ARG A 158 -3.205 8.897 -7.885 1.00 43.33 N ATOM 193 CZ ARG A 158 -3.325 8.827 -9.186 1.00 31.43 C ATOM 194 NH1 ARG A 158 -3.623 7.708 -9.770 1.00 30.22 N ATOM 195 NH2 ARG A 158 -3.165 9.893 -9.901 1.00 52.23 N ATOM 0 H ARG A 158 -1.982 5.931 -5.717 1.00 2.51 H new ATOM 0 HA ARG A 158 -2.610 7.370 -3.241 1.00 73.42 H new ATOM 0 HB2 ARG A 158 -4.477 6.106 -5.284 1.00 60.44 H new ATOM 0 HB3 ARG A 158 -4.934 7.195 -3.989 1.00 60.44 H new ATOM 0 HG2 ARG A 158 -4.924 8.628 -5.816 1.00 71.51 H new ATOM 0 HG3 ARG A 158 -3.323 8.901 -5.157 1.00 71.51 H new ATOM 0 HD2 ARG A 158 -2.357 7.313 -6.806 1.00 12.12 H new ATOM 0 HD3 ARG A 158 -3.955 6.989 -7.447 1.00 12.12 H new ATOM 0 HE ARG A 158 -3.005 9.809 -7.475 1.00 43.33 H new ATOM 0 HH11 ARG A 158 -3.768 6.865 -9.214 1.00 30.22 H new ATOM 0 HH12 ARG A 158 -3.713 7.671 -10.785 1.00 30.22 H new ATOM 0 HH21 ARG A 158 -2.947 10.781 -9.450 1.00 52.23 H new ATOM 0 HH22 ARG A 158 -3.257 9.845 -10.916 1.00 52.23 H new ATOM 209 N VAL A 159 -2.942 5.347 -1.788 1.00 1.51 N ATOM 210 CA VAL A 159 -3.106 4.170 -0.926 1.00 33.05 C ATOM 211 C VAL A 159 -4.309 4.304 0.025 1.00 50.23 C ATOM 212 O VAL A 159 -4.389 5.240 0.822 1.00 12.35 O ATOM 213 CB VAL A 159 -1.831 3.910 -0.085 1.00 33.51 C ATOM 214 CG1 VAL A 159 -1.990 2.652 0.768 1.00 43.02 C ATOM 215 CG2 VAL A 159 -0.596 3.811 -0.982 1.00 3.55 C ATOM 0 H VAL A 159 -2.637 6.189 -1.299 1.00 1.51 H new ATOM 0 HA VAL A 159 -3.285 3.328 -1.595 1.00 33.05 H new ATOM 0 HB VAL A 159 -1.690 4.757 0.587 1.00 33.51 H new ATOM 0 HG11 VAL A 159 -1.083 2.490 1.350 1.00 43.02 H new ATOM 0 HG12 VAL A 159 -2.837 2.775 1.443 1.00 43.02 H new ATOM 0 HG13 VAL A 159 -2.164 1.793 0.120 1.00 43.02 H new ATOM 0 HG21 VAL A 159 0.286 3.628 -0.368 1.00 3.55 H new ATOM 0 HG22 VAL A 159 -0.724 2.990 -1.687 1.00 3.55 H new ATOM 0 HG23 VAL A 159 -0.469 4.744 -1.531 1.00 3.55 H new ATOM 225 N PHE A 160 -5.236 3.356 -0.061 1.00 45.53 N ATOM 226 CA PHE A 160 -6.372 3.289 0.861 1.00 43.44 C ATOM 227 C PHE A 160 -5.979 2.539 2.140 1.00 23.52 C ATOM 228 O PHE A 160 -5.934 1.306 2.158 1.00 40.43 O ATOM 229 CB PHE A 160 -7.564 2.582 0.197 1.00 5.41 C ATOM 230 CG PHE A 160 -8.075 3.273 -1.040 1.00 33.22 C ATOM 231 CD1 PHE A 160 -7.490 3.035 -2.275 1.00 14.15 C ATOM 232 CD2 PHE A 160 -9.139 4.162 -0.968 1.00 5.23 C ATOM 233 CE1 PHE A 160 -7.958 3.664 -3.411 1.00 54.02 C ATOM 234 CE2 PHE A 160 -9.611 4.793 -2.101 1.00 61.13 C ATOM 235 CZ PHE A 160 -9.018 4.545 -3.325 1.00 72.41 C ATOM 0 H PHE A 160 -5.225 2.617 -0.764 1.00 45.53 H new ATOM 0 HA PHE A 160 -6.661 4.308 1.118 1.00 43.44 H new ATOM 0 HB2 PHE A 160 -7.271 1.565 -0.062 1.00 5.41 H new ATOM 0 HB3 PHE A 160 -8.376 2.505 0.920 1.00 5.41 H new ATOM 0 HD1 PHE A 160 -6.659 2.350 -2.349 1.00 14.15 H new ATOM 0 HD2 PHE A 160 -9.603 4.362 -0.014 1.00 5.23 H new ATOM 0 HE1 PHE A 160 -7.495 3.467 -4.367 1.00 54.02 H new ATOM 0 HE2 PHE A 160 -10.442 5.479 -2.032 1.00 61.13 H new ATOM 0 HZ PHE A 160 -9.383 5.040 -4.213 1.00 72.41 H new ATOM 245 N LEU A 161 -5.675 3.284 3.199 1.00 41.05 N ATOM 246 CA LEU A 161 -5.291 2.681 4.479 1.00 64.33 C ATOM 247 C LEU A 161 -6.464 1.905 5.105 1.00 11.14 C ATOM 248 O LEU A 161 -7.618 2.330 5.014 1.00 54.21 O ATOM 249 CB LEU A 161 -4.789 3.761 5.450 1.00 14.53 C ATOM 250 CG LEU A 161 -3.466 4.439 5.061 1.00 23.33 C ATOM 251 CD1 LEU A 161 -3.103 5.528 6.068 1.00 53.44 C ATOM 252 CD2 LEU A 161 -2.341 3.410 4.946 1.00 50.22 C ATOM 0 H LEU A 161 -5.686 4.304 3.200 1.00 41.05 H new ATOM 0 HA LEU A 161 -4.483 1.974 4.287 1.00 64.33 H new ATOM 0 HB2 LEU A 161 -5.557 4.529 5.540 1.00 14.53 H new ATOM 0 HB3 LEU A 161 -4.670 3.311 6.436 1.00 14.53 H new ATOM 0 HG LEU A 161 -3.597 4.906 4.085 1.00 23.33 H new ATOM 0 HD11 LEU A 161 -2.163 5.996 5.775 1.00 53.44 H new ATOM 0 HD12 LEU A 161 -3.891 6.280 6.090 1.00 53.44 H new ATOM 0 HD13 LEU A 161 -2.995 5.086 7.059 1.00 53.44 H new ATOM 0 HD21 LEU A 161 -1.414 3.913 4.670 1.00 50.22 H new ATOM 0 HD22 LEU A 161 -2.209 2.907 5.904 1.00 50.22 H new ATOM 0 HD23 LEU A 161 -2.596 2.675 4.182 1.00 50.22 H new ATOM 264 N PRO A 162 -6.179 0.769 5.778 1.00 4.12 N ATOM 265 CA PRO A 162 -7.226 -0.107 6.335 1.00 11.20 C ATOM 266 C PRO A 162 -8.221 0.646 7.239 1.00 52.13 C ATOM 267 O PRO A 162 -7.841 1.572 7.958 1.00 3.44 O ATOM 268 CB PRO A 162 -6.438 -1.163 7.139 1.00 71.04 C ATOM 269 CG PRO A 162 -5.059 -0.602 7.283 1.00 74.24 C ATOM 270 CD PRO A 162 -4.830 0.251 6.067 1.00 44.22 C ATOM 0 HA PRO A 162 -7.846 -0.537 5.548 1.00 11.20 H new ATOM 0 HB2 PRO A 162 -6.895 -1.337 8.113 1.00 71.04 H new ATOM 0 HB3 PRO A 162 -6.421 -2.121 6.619 1.00 71.04 H new ATOM 0 HG2 PRO A 162 -4.971 -0.012 8.195 1.00 74.24 H new ATOM 0 HG3 PRO A 162 -4.318 -1.399 7.346 1.00 74.24 H new ATOM 0 HD2 PRO A 162 -4.121 1.055 6.264 1.00 44.22 H new ATOM 0 HD3 PRO A 162 -4.432 -0.329 5.234 1.00 44.22 H new ATOM 278 N ASN A 163 -9.493 0.243 7.172 1.00 44.21 N ATOM 279 CA ASN A 163 -10.569 0.839 7.980 1.00 22.31 C ATOM 280 C ASN A 163 -10.971 2.235 7.449 1.00 31.04 C ATOM 281 O ASN A 163 -10.943 3.227 8.181 1.00 12.54 O ATOM 282 CB ASN A 163 -10.171 0.901 9.471 1.00 21.23 C ATOM 283 CG ASN A 163 -11.366 1.023 10.406 1.00 34.21 C ATOM 284 OD1 ASN A 163 -12.408 1.564 10.053 1.00 73.52 O ATOM 285 ND2 ASN A 163 -11.224 0.516 11.615 1.00 62.13 N ATOM 0 H ASN A 163 -9.809 -0.506 6.556 1.00 44.21 H new ATOM 0 HA ASN A 163 -11.443 0.194 7.892 1.00 22.31 H new ATOM 0 HB2 ASN A 163 -9.607 0.004 9.728 1.00 21.23 H new ATOM 0 HB3 ASN A 163 -9.507 1.751 9.628 1.00 21.23 H new ATOM 0 HD21 ASN A 163 -11.993 0.568 12.283 1.00 62.13 H new ATOM 0 HD22 ASN A 163 -10.346 0.071 11.882 1.00 62.13 H new ATOM 292 N LYS A 164 -11.313 2.292 6.153 1.00 62.25 N ATOM 293 CA LYS A 164 -11.931 3.484 5.527 1.00 32.25 C ATOM 294 C LYS A 164 -10.988 4.709 5.442 1.00 23.33 C ATOM 295 O LYS A 164 -11.456 5.842 5.289 1.00 70.32 O ATOM 296 CB LYS A 164 -13.211 3.870 6.297 1.00 65.43 C ATOM 297 CG LYS A 164 -14.246 2.748 6.387 1.00 53.04 C ATOM 298 CD LYS A 164 -15.415 3.113 7.305 1.00 21.02 C ATOM 299 CE LYS A 164 -16.222 4.295 6.772 1.00 62.15 C ATOM 300 NZ LYS A 164 -16.890 3.978 5.485 1.00 41.11 N ATOM 0 H LYS A 164 -11.172 1.517 5.505 1.00 62.25 H new ATOM 0 HA LYS A 164 -12.164 3.203 4.500 1.00 32.25 H new ATOM 0 HB2 LYS A 164 -12.936 4.179 7.306 1.00 65.43 H new ATOM 0 HB3 LYS A 164 -13.667 4.733 5.813 1.00 65.43 H new ATOM 0 HG2 LYS A 164 -14.625 2.525 5.390 1.00 53.04 H new ATOM 0 HG3 LYS A 164 -13.766 1.842 6.756 1.00 53.04 H new ATOM 0 HD2 LYS A 164 -16.070 2.249 7.416 1.00 21.02 H new ATOM 0 HD3 LYS A 164 -15.034 3.354 8.297 1.00 21.02 H new ATOM 0 HE2 LYS A 164 -16.972 4.583 7.508 1.00 62.15 H new ATOM 0 HE3 LYS A 164 -15.563 5.152 6.637 1.00 62.15 H new ATOM 0 HZ1 LYS A 164 -17.558 4.738 5.244 1.00 41.11 H new ATOM 0 HZ2 LYS A 164 -16.175 3.894 4.734 1.00 41.11 H new ATOM 0 HZ3 LYS A 164 -17.406 3.079 5.574 1.00 41.11 H new ATOM 314 N GLN A 165 -9.673 4.497 5.489 1.00 1.21 N ATOM 315 CA GLN A 165 -8.721 5.625 5.515 1.00 10.21 C ATOM 316 C GLN A 165 -7.958 5.787 4.181 1.00 53.14 C ATOM 317 O GLN A 165 -8.094 4.975 3.267 1.00 33.14 O ATOM 318 CB GLN A 165 -7.736 5.452 6.679 1.00 42.01 C ATOM 319 CG GLN A 165 -8.414 5.222 8.026 1.00 14.22 C ATOM 320 CD GLN A 165 -9.405 6.314 8.404 1.00 73.52 C ATOM 321 OE1 GLN A 165 -9.240 7.481 8.057 1.00 52.11 O ATOM 322 NE2 GLN A 165 -10.460 5.935 9.094 1.00 43.25 N ATOM 0 H GLN A 165 -9.240 3.573 5.510 1.00 1.21 H new ATOM 0 HA GLN A 165 -9.301 6.537 5.660 1.00 10.21 H new ATOM 0 HB2 GLN A 165 -7.078 4.610 6.465 1.00 42.01 H new ATOM 0 HB3 GLN A 165 -7.106 6.339 6.746 1.00 42.01 H new ATOM 0 HG2 GLN A 165 -8.933 4.264 8.003 1.00 14.22 H new ATOM 0 HG3 GLN A 165 -7.650 5.152 8.801 1.00 14.22 H new ATOM 0 HE21 GLN A 165 -10.567 4.958 9.367 1.00 43.25 H new ATOM 0 HE22 GLN A 165 -11.170 6.618 9.356 1.00 43.25 H new ATOM 331 N ARG A 166 -7.145 6.846 4.083 1.00 42.11 N ATOM 332 CA ARG A 166 -6.428 7.171 2.836 1.00 54.54 C ATOM 333 C ARG A 166 -5.052 7.813 3.102 1.00 51.33 C ATOM 334 O ARG A 166 -4.834 8.449 4.135 1.00 42.43 O ATOM 335 CB ARG A 166 -7.261 8.146 1.984 1.00 1.15 C ATOM 336 CG ARG A 166 -7.677 9.405 2.744 1.00 40.12 C ATOM 337 CD ARG A 166 -7.887 10.602 1.823 1.00 74.54 C ATOM 338 NE ARG A 166 -8.893 10.355 0.797 1.00 74.45 N ATOM 339 CZ ARG A 166 -9.109 11.148 -0.215 1.00 51.41 C ATOM 340 NH1 ARG A 166 -8.448 12.256 -0.344 1.00 24.24 N ATOM 341 NH2 ARG A 166 -10.001 10.842 -1.094 1.00 31.30 N ATOM 0 H ARG A 166 -6.965 7.494 4.850 1.00 42.11 H new ATOM 0 HA ARG A 166 -6.275 6.230 2.308 1.00 54.54 H new ATOM 0 HB2 ARG A 166 -6.685 8.434 1.105 1.00 1.15 H new ATOM 0 HB3 ARG A 166 -8.154 7.634 1.626 1.00 1.15 H new ATOM 0 HG2 ARG A 166 -8.598 9.207 3.292 1.00 40.12 H new ATOM 0 HG3 ARG A 166 -6.913 9.649 3.482 1.00 40.12 H new ATOM 0 HD2 ARG A 166 -8.186 11.465 2.418 1.00 74.54 H new ATOM 0 HD3 ARG A 166 -6.941 10.857 1.345 1.00 74.54 H new ATOM 0 HE ARG A 166 -9.462 9.512 0.876 1.00 74.45 H new ATOM 0 HH11 ARG A 166 -7.749 12.517 0.351 1.00 24.24 H new ATOM 0 HH12 ARG A 166 -8.627 12.867 -1.141 1.00 24.24 H new ATOM 0 HH21 ARG A 166 -10.537 9.980 -0.997 1.00 31.30 H new ATOM 0 HH22 ARG A 166 -10.170 11.462 -1.886 1.00 31.30 H new ATOM 355 N THR A 167 -4.131 7.630 2.160 1.00 32.00 N ATOM 356 CA THR A 167 -2.836 8.335 2.164 1.00 3.11 C ATOM 357 C THR A 167 -2.238 8.389 0.752 1.00 52.02 C ATOM 358 O THR A 167 -2.619 7.606 -0.119 1.00 2.45 O ATOM 359 CB THR A 167 -1.805 7.679 3.116 1.00 22.42 C ATOM 360 OG1 THR A 167 -0.601 8.464 3.154 1.00 72.54 O ATOM 361 CG2 THR A 167 -1.469 6.258 2.675 1.00 25.53 C ATOM 0 H THR A 167 -4.252 6.994 1.372 1.00 32.00 H new ATOM 0 HA THR A 167 -3.042 9.343 2.523 1.00 3.11 H new ATOM 0 HB THR A 167 -2.249 7.636 4.110 1.00 22.42 H new ATOM 0 HG1 THR A 167 0.045 8.043 3.759 1.00 72.54 H new ATOM 0 HG21 THR A 167 -0.743 5.825 3.363 1.00 25.53 H new ATOM 0 HG22 THR A 167 -2.376 5.653 2.676 1.00 25.53 H new ATOM 0 HG23 THR A 167 -1.048 6.279 1.670 1.00 25.53 H new ATOM 369 N VAL A 168 -1.303 9.310 0.522 1.00 63.52 N ATOM 370 CA VAL A 168 -0.612 9.407 -0.771 1.00 40.24 C ATOM 371 C VAL A 168 0.910 9.482 -0.570 1.00 75.03 C ATOM 372 O VAL A 168 1.421 10.403 0.072 1.00 63.32 O ATOM 373 CB VAL A 168 -1.084 10.638 -1.592 1.00 61.42 C ATOM 374 CG1 VAL A 168 -0.363 10.704 -2.935 1.00 70.45 C ATOM 375 CG2 VAL A 168 -2.601 10.614 -1.794 1.00 50.45 C ATOM 0 H VAL A 168 -1.004 10.000 1.211 1.00 63.52 H new ATOM 0 HA VAL A 168 -0.863 8.506 -1.331 1.00 40.24 H new ATOM 0 HB VAL A 168 -0.832 11.534 -1.025 1.00 61.42 H new ATOM 0 HG11 VAL A 168 -0.710 11.574 -3.492 1.00 70.45 H new ATOM 0 HG12 VAL A 168 0.711 10.785 -2.768 1.00 70.45 H new ATOM 0 HG13 VAL A 168 -0.574 9.800 -3.506 1.00 70.45 H new ATOM 0 HG21 VAL A 168 -2.905 11.487 -2.372 1.00 50.45 H new ATOM 0 HG22 VAL A 168 -2.882 9.708 -2.330 1.00 50.45 H new ATOM 0 HG23 VAL A 168 -3.098 10.630 -0.824 1.00 50.45 H new ATOM 385 N VAL A 169 1.629 8.512 -1.135 1.00 3.13 N ATOM 386 CA VAL A 169 3.084 8.415 -0.959 1.00 3.04 C ATOM 387 C VAL A 169 3.826 8.375 -2.311 1.00 2.42 C ATOM 388 O VAL A 169 3.359 7.755 -3.268 1.00 33.33 O ATOM 389 CB VAL A 169 3.461 7.161 -0.126 1.00 63.23 C ATOM 390 CG1 VAL A 169 3.012 7.316 1.329 1.00 2.32 C ATOM 391 CG2 VAL A 169 2.857 5.897 -0.740 1.00 72.41 C ATOM 0 H VAL A 169 1.229 7.779 -1.721 1.00 3.13 H new ATOM 0 HA VAL A 169 3.395 9.311 -0.423 1.00 3.04 H new ATOM 0 HB VAL A 169 4.547 7.064 -0.141 1.00 63.23 H new ATOM 0 HG11 VAL A 169 3.288 6.424 1.892 1.00 2.32 H new ATOM 0 HG12 VAL A 169 3.498 8.187 1.769 1.00 2.32 H new ATOM 0 HG13 VAL A 169 1.930 7.447 1.364 1.00 2.32 H new ATOM 0 HG21 VAL A 169 3.135 5.032 -0.139 1.00 72.41 H new ATOM 0 HG22 VAL A 169 1.771 5.988 -0.765 1.00 72.41 H new ATOM 0 HG23 VAL A 169 3.234 5.770 -1.755 1.00 72.41 H new ATOM 401 N PRO A 170 4.990 9.049 -2.411 1.00 51.20 N ATOM 402 CA PRO A 170 5.792 9.074 -3.648 1.00 13.14 C ATOM 403 C PRO A 170 6.598 7.781 -3.884 1.00 4.15 C ATOM 404 O PRO A 170 7.287 7.287 -2.985 1.00 31.33 O ATOM 405 CB PRO A 170 6.730 10.265 -3.420 1.00 12.32 C ATOM 406 CG PRO A 170 6.911 10.321 -1.938 1.00 14.01 C ATOM 407 CD PRO A 170 5.607 9.854 -1.335 1.00 33.14 C ATOM 0 HA PRO A 170 5.164 9.158 -4.535 1.00 13.14 H new ATOM 0 HB2 PRO A 170 7.682 10.124 -3.931 1.00 12.32 H new ATOM 0 HB3 PRO A 170 6.297 11.190 -3.802 1.00 12.32 H new ATOM 0 HG2 PRO A 170 7.736 9.683 -1.622 1.00 14.01 H new ATOM 0 HG3 PRO A 170 7.149 11.334 -1.613 1.00 14.01 H new ATOM 0 HD2 PRO A 170 5.772 9.261 -0.436 1.00 33.14 H new ATOM 0 HD3 PRO A 170 4.974 10.694 -1.051 1.00 33.14 H new ATOM 415 N ALA A 171 6.522 7.257 -5.108 1.00 42.24 N ATOM 416 CA ALA A 171 7.231 6.032 -5.489 1.00 61.04 C ATOM 417 C ALA A 171 8.750 6.257 -5.584 1.00 13.14 C ATOM 418 O ALA A 171 9.219 7.190 -6.246 1.00 62.42 O ATOM 419 CB ALA A 171 6.684 5.507 -6.811 1.00 41.23 C ATOM 0 H ALA A 171 5.970 7.667 -5.861 1.00 42.24 H new ATOM 0 HA ALA A 171 7.062 5.289 -4.709 1.00 61.04 H new ATOM 0 HB1 ALA A 171 7.215 4.597 -7.089 1.00 41.23 H new ATOM 0 HB2 ALA A 171 5.621 5.289 -6.704 1.00 41.23 H new ATOM 0 HB3 ALA A 171 6.824 6.259 -7.587 1.00 41.23 H new ATOM 425 N ARG A 172 9.512 5.396 -4.913 1.00 10.34 N ATOM 426 CA ARG A 172 10.976 5.492 -4.879 1.00 62.14 C ATOM 427 C ARG A 172 11.623 4.142 -5.227 1.00 53.15 C ATOM 428 O ARG A 172 11.254 3.107 -4.668 1.00 12.12 O ATOM 429 CB ARG A 172 11.437 5.918 -3.478 1.00 23.03 C ATOM 430 CG ARG A 172 10.627 7.061 -2.876 1.00 35.24 C ATOM 431 CD ARG A 172 11.022 7.321 -1.428 1.00 22.13 C ATOM 432 NE ARG A 172 10.085 8.217 -0.755 1.00 71.33 N ATOM 433 CZ ARG A 172 10.330 8.813 0.382 1.00 15.01 C ATOM 434 NH1 ARG A 172 11.477 8.678 0.964 1.00 42.22 N ATOM 435 NH2 ARG A 172 9.428 9.556 0.934 1.00 44.40 N ATOM 0 H ARG A 172 9.137 4.613 -4.378 1.00 10.34 H new ATOM 0 HA ARG A 172 11.283 6.233 -5.617 1.00 62.14 H new ATOM 0 HB2 ARG A 172 11.381 5.057 -2.812 1.00 23.03 H new ATOM 0 HB3 ARG A 172 12.484 6.216 -3.527 1.00 23.03 H new ATOM 0 HG2 ARG A 172 10.779 7.966 -3.464 1.00 35.24 H new ATOM 0 HG3 ARG A 172 9.565 6.822 -2.928 1.00 35.24 H new ATOM 0 HD2 ARG A 172 11.068 6.374 -0.890 1.00 22.13 H new ATOM 0 HD3 ARG A 172 12.022 7.754 -1.398 1.00 22.13 H new ATOM 0 HE ARG A 172 9.183 8.388 -1.200 1.00 71.33 H new ATOM 0 HH11 ARG A 172 12.201 8.102 0.536 1.00 42.22 H new ATOM 0 HH12 ARG A 172 11.657 9.148 1.851 1.00 42.22 H new ATOM 0 HH21 ARG A 172 8.522 9.679 0.482 1.00 44.40 H new ATOM 0 HH22 ARG A 172 9.622 10.020 1.821 1.00 44.40 H new ATOM 449 N CYS A 173 12.594 4.157 -6.134 1.00 43.34 N ATOM 450 CA CYS A 173 13.306 2.928 -6.520 1.00 1.21 C ATOM 451 C CYS A 173 14.241 2.454 -5.399 1.00 33.10 C ATOM 452 O CYS A 173 15.262 3.085 -5.116 1.00 24.32 O ATOM 453 CB CYS A 173 14.112 3.149 -7.804 1.00 31.22 C ATOM 454 SG CYS A 173 15.004 1.686 -8.386 1.00 52.11 S ATOM 0 H CYS A 173 12.910 4.998 -6.617 1.00 43.34 H new ATOM 0 HA CYS A 173 12.556 2.157 -6.698 1.00 1.21 H new ATOM 0 HB2 CYS A 173 13.436 3.484 -8.590 1.00 31.22 H new ATOM 0 HB3 CYS A 173 14.828 3.953 -7.635 1.00 31.22 H new ATOM 0 HG CYS A 173 15.651 1.977 -9.476 1.00 52.11 H new ATOM 460 N GLY A 174 13.885 1.343 -4.765 1.00 23.14 N ATOM 461 CA GLY A 174 14.657 0.833 -3.635 1.00 73.23 C ATOM 462 C GLY A 174 13.856 0.813 -2.337 1.00 4.13 C ATOM 463 O GLY A 174 14.357 0.382 -1.292 1.00 61.54 O ATOM 0 H GLY A 174 13.071 0.780 -5.011 1.00 23.14 H new ATOM 0 HA2 GLY A 174 15.001 -0.176 -3.861 1.00 73.23 H new ATOM 0 HA3 GLY A 174 15.546 1.449 -3.499 1.00 73.23 H new ATOM 467 N VAL A 175 12.607 1.276 -2.405 1.00 41.45 N ATOM 468 CA VAL A 175 11.719 1.323 -1.238 1.00 65.04 C ATOM 469 C VAL A 175 10.484 0.433 -1.451 1.00 44.24 C ATOM 470 O VAL A 175 9.769 0.570 -2.443 1.00 44.30 O ATOM 471 CB VAL A 175 11.260 2.775 -0.938 1.00 32.42 C ATOM 472 CG1 VAL A 175 10.301 2.814 0.252 1.00 42.22 C ATOM 473 CG2 VAL A 175 12.469 3.680 -0.691 1.00 73.42 C ATOM 0 H VAL A 175 12.183 1.627 -3.264 1.00 41.45 H new ATOM 0 HA VAL A 175 12.287 0.950 -0.386 1.00 65.04 H new ATOM 0 HB VAL A 175 10.724 3.148 -1.811 1.00 32.42 H new ATOM 0 HG11 VAL A 175 9.996 3.843 0.440 1.00 42.22 H new ATOM 0 HG12 VAL A 175 9.422 2.209 0.031 1.00 42.22 H new ATOM 0 HG13 VAL A 175 10.801 2.417 1.135 1.00 42.22 H new ATOM 0 HG21 VAL A 175 12.128 4.694 -0.482 1.00 73.42 H new ATOM 0 HG22 VAL A 175 13.036 3.305 0.161 1.00 73.42 H new ATOM 0 HG23 VAL A 175 13.106 3.686 -1.576 1.00 73.42 H new ATOM 483 N THR A 176 10.238 -0.481 -0.515 1.00 23.31 N ATOM 484 CA THR A 176 9.107 -1.413 -0.630 1.00 50.33 C ATOM 485 C THR A 176 7.798 -0.778 -0.152 1.00 53.44 C ATOM 486 O THR A 176 7.798 0.281 0.484 1.00 64.52 O ATOM 487 CB THR A 176 9.337 -2.698 0.197 1.00 65.12 C ATOM 488 OG1 THR A 176 9.242 -2.405 1.600 1.00 14.24 O ATOM 489 CG2 THR A 176 10.699 -3.314 -0.106 1.00 14.24 C ATOM 0 H THR A 176 10.800 -0.600 0.328 1.00 23.31 H new ATOM 0 HA THR A 176 9.034 -1.661 -1.689 1.00 50.33 H new ATOM 0 HB THR A 176 8.566 -3.417 -0.079 1.00 65.12 H new ATOM 0 HG1 THR A 176 10.135 -2.217 1.956 1.00 14.24 H new ATOM 0 HG21 THR A 176 10.831 -4.216 0.491 1.00 14.24 H new ATOM 0 HG22 THR A 176 10.756 -3.568 -1.165 1.00 14.24 H new ATOM 0 HG23 THR A 176 11.484 -2.599 0.139 1.00 14.24 H new ATOM 497 N VAL A 177 6.680 -1.437 -0.454 1.00 45.32 N ATOM 498 CA VAL A 177 5.369 -1.009 0.042 1.00 32.43 C ATOM 499 C VAL A 177 5.381 -0.910 1.576 1.00 52.25 C ATOM 500 O VAL A 177 4.778 -0.009 2.165 1.00 32.41 O ATOM 501 CB VAL A 177 4.251 -1.993 -0.398 1.00 14.05 C ATOM 502 CG1 VAL A 177 2.881 -1.532 0.099 1.00 21.51 C ATOM 503 CG2 VAL A 177 4.247 -2.163 -1.917 1.00 14.10 C ATOM 0 H VAL A 177 6.654 -2.271 -1.041 1.00 45.32 H new ATOM 0 HA VAL A 177 5.161 -0.028 -0.386 1.00 32.43 H new ATOM 0 HB VAL A 177 4.461 -2.962 0.055 1.00 14.05 H new ATOM 0 HG11 VAL A 177 2.119 -2.241 -0.225 1.00 21.51 H new ATOM 0 HG12 VAL A 177 2.888 -1.479 1.188 1.00 21.51 H new ATOM 0 HG13 VAL A 177 2.658 -0.547 -0.311 1.00 21.51 H new ATOM 0 HG21 VAL A 177 3.456 -2.856 -2.203 1.00 14.10 H new ATOM 0 HG22 VAL A 177 4.072 -1.197 -2.391 1.00 14.10 H new ATOM 0 HG23 VAL A 177 5.210 -2.557 -2.242 1.00 14.10 H new ATOM 513 N ARG A 178 6.101 -1.833 2.209 1.00 51.20 N ATOM 514 CA ARG A 178 6.226 -1.855 3.663 1.00 44.14 C ATOM 515 C ARG A 178 7.011 -0.637 4.171 1.00 44.02 C ATOM 516 O ARG A 178 6.510 0.144 4.975 1.00 60.54 O ATOM 517 CB ARG A 178 6.922 -3.138 4.121 1.00 74.11 C ATOM 518 CG ARG A 178 6.680 -3.463 5.588 1.00 4.31 C ATOM 519 CD ARG A 178 7.563 -4.605 6.072 1.00 31.00 C ATOM 520 NE ARG A 178 7.434 -4.829 7.510 1.00 71.32 N ATOM 521 CZ ARG A 178 7.787 -5.926 8.118 1.00 74.44 C ATOM 522 NH1 ARG A 178 8.283 -6.926 7.455 1.00 13.52 N ATOM 523 NH2 ARG A 178 7.654 -6.015 9.399 1.00 23.25 N ATOM 0 H ARG A 178 6.609 -2.579 1.734 1.00 51.20 H new ATOM 0 HA ARG A 178 5.220 -1.820 4.081 1.00 44.14 H new ATOM 0 HB2 ARG A 178 6.574 -3.970 3.509 1.00 74.11 H new ATOM 0 HB3 ARG A 178 7.994 -3.043 3.949 1.00 74.11 H new ATOM 0 HG2 ARG A 178 6.871 -2.576 6.192 1.00 4.31 H new ATOM 0 HG3 ARG A 178 5.633 -3.728 5.733 1.00 4.31 H new ATOM 0 HD2 ARG A 178 7.299 -5.518 5.538 1.00 31.00 H new ATOM 0 HD3 ARG A 178 8.603 -4.385 5.832 1.00 31.00 H new ATOM 0 HE ARG A 178 7.041 -4.076 8.076 1.00 71.32 H new ATOM 0 HH11 ARG A 178 8.401 -6.859 6.444 1.00 13.52 H new ATOM 0 HH12 ARG A 178 8.555 -7.778 7.945 1.00 13.52 H new ATOM 0 HH21 ARG A 178 7.275 -5.230 9.928 1.00 23.25 H new ATOM 0 HH22 ARG A 178 7.928 -6.871 9.882 1.00 23.25 H new ATOM 537 N ASP A 179 8.245 -0.479 3.685 1.00 2.45 N ATOM 538 CA ASP A 179 9.109 0.637 4.092 1.00 13.14 C ATOM 539 C ASP A 179 8.447 2.003 3.842 1.00 41.32 C ATOM 540 O ASP A 179 8.735 2.977 4.537 1.00 15.21 O ATOM 541 CB ASP A 179 10.450 0.558 3.357 1.00 33.33 C ATOM 542 CG ASP A 179 11.318 -0.579 3.862 1.00 30.11 C ATOM 543 OD1 ASP A 179 11.099 -1.734 3.450 1.00 44.05 O ATOM 544 OD2 ASP A 179 12.215 -0.322 4.692 1.00 71.31 O ATOM 0 H ASP A 179 8.671 -1.111 3.007 1.00 2.45 H new ATOM 0 HA ASP A 179 9.276 0.548 5.165 1.00 13.14 H new ATOM 0 HB2 ASP A 179 10.270 0.428 2.290 1.00 33.33 H new ATOM 0 HB3 ASP A 179 10.984 1.501 3.478 1.00 33.33 H new ATOM 549 N SER A 180 7.566 2.066 2.847 1.00 11.23 N ATOM 550 CA SER A 180 6.835 3.301 2.534 1.00 73.12 C ATOM 551 C SER A 180 5.660 3.528 3.502 1.00 73.13 C ATOM 552 O SER A 180 5.488 4.622 4.043 1.00 22.11 O ATOM 553 CB SER A 180 6.314 3.260 1.089 1.00 21.43 C ATOM 554 OG SER A 180 5.648 4.465 0.743 1.00 50.14 O ATOM 0 H SER A 180 7.338 1.278 2.241 1.00 11.23 H new ATOM 0 HA SER A 180 7.532 4.131 2.647 1.00 73.12 H new ATOM 0 HB2 SER A 180 7.146 3.094 0.405 1.00 21.43 H new ATOM 0 HB3 SER A 180 5.631 2.419 0.971 1.00 21.43 H new ATOM 0 HG SER A 180 5.751 4.632 -0.217 1.00 50.14 H new ATOM 560 N LEU A 181 4.857 2.487 3.732 1.00 63.23 N ATOM 561 CA LEU A 181 3.633 2.615 4.541 1.00 51.13 C ATOM 562 C LEU A 181 3.847 2.257 6.025 1.00 32.42 C ATOM 563 O LEU A 181 2.915 2.359 6.827 1.00 12.34 O ATOM 564 CB LEU A 181 2.527 1.729 3.952 1.00 64.00 C ATOM 565 CG LEU A 181 2.110 2.064 2.511 1.00 62.20 C ATOM 566 CD1 LEU A 181 1.054 1.077 2.016 1.00 73.10 C ATOM 567 CD2 LEU A 181 1.601 3.503 2.412 1.00 65.44 C ATOM 0 H LEU A 181 5.027 1.548 3.373 1.00 63.23 H new ATOM 0 HA LEU A 181 3.341 3.665 4.506 1.00 51.13 H new ATOM 0 HB2 LEU A 181 2.861 0.692 3.984 1.00 64.00 H new ATOM 0 HB3 LEU A 181 1.648 1.801 4.592 1.00 64.00 H new ATOM 0 HG LEU A 181 2.988 1.974 1.871 1.00 62.20 H new ATOM 0 HD11 LEU A 181 0.771 1.329 0.994 1.00 73.10 H new ATOM 0 HD12 LEU A 181 1.461 0.066 2.040 1.00 73.10 H new ATOM 0 HD13 LEU A 181 0.176 1.130 2.660 1.00 73.10 H new ATOM 0 HD21 LEU A 181 1.312 3.717 1.383 1.00 65.44 H new ATOM 0 HD22 LEU A 181 0.738 3.629 3.065 1.00 65.44 H new ATOM 0 HD23 LEU A 181 2.390 4.190 2.717 1.00 65.44 H new ATOM 579 N LYS A 182 5.062 1.854 6.398 1.00 13.44 N ATOM 580 CA LYS A 182 5.343 1.433 7.783 1.00 14.12 C ATOM 581 C LYS A 182 4.985 2.527 8.806 1.00 3.43 C ATOM 582 O LYS A 182 4.418 2.238 9.861 1.00 2.42 O ATOM 583 CB LYS A 182 6.813 1.012 7.942 1.00 14.31 C ATOM 584 CG LYS A 182 7.822 2.134 7.717 1.00 33.55 C ATOM 585 CD LYS A 182 9.259 1.644 7.895 1.00 72.42 C ATOM 586 CE LYS A 182 10.274 2.773 7.733 1.00 55.22 C ATOM 587 NZ LYS A 182 11.672 2.284 7.873 1.00 64.23 N ATOM 0 H LYS A 182 5.865 1.808 5.771 1.00 13.44 H new ATOM 0 HA LYS A 182 4.707 0.572 7.988 1.00 14.12 H new ATOM 0 HB2 LYS A 182 6.955 0.608 8.944 1.00 14.31 H new ATOM 0 HB3 LYS A 182 7.024 0.205 7.241 1.00 14.31 H new ATOM 0 HG2 LYS A 182 7.697 2.540 6.713 1.00 33.55 H new ATOM 0 HG3 LYS A 182 7.625 2.947 8.416 1.00 33.55 H new ATOM 0 HD2 LYS A 182 9.369 1.197 8.883 1.00 72.42 H new ATOM 0 HD3 LYS A 182 9.468 0.862 7.165 1.00 72.42 H new ATOM 0 HE2 LYS A 182 10.148 3.238 6.755 1.00 55.22 H new ATOM 0 HE3 LYS A 182 10.082 3.544 8.479 1.00 55.22 H new ATOM 0 HZ1 LYS A 182 12.331 3.080 7.757 1.00 64.23 H new ATOM 0 HZ2 LYS A 182 11.800 1.863 8.815 1.00 64.23 H new ATOM 0 HZ3 LYS A 182 11.863 1.567 7.145 1.00 64.23 H new ATOM 601 N LYS A 183 5.304 3.782 8.489 1.00 70.13 N ATOM 602 CA LYS A 183 4.983 4.905 9.377 1.00 54.21 C ATOM 603 C LYS A 183 3.470 5.184 9.392 1.00 40.41 C ATOM 604 O LYS A 183 2.908 5.596 10.412 1.00 32.02 O ATOM 605 CB LYS A 183 5.759 6.157 8.944 1.00 22.42 C ATOM 606 CG LYS A 183 5.724 7.286 9.969 1.00 45.25 C ATOM 607 CD LYS A 183 6.597 8.467 9.548 1.00 13.44 C ATOM 608 CE LYS A 183 6.698 9.524 10.647 1.00 14.31 C ATOM 609 NZ LYS A 183 5.379 10.131 10.972 1.00 61.44 N ATOM 0 H LYS A 183 5.782 4.048 7.628 1.00 70.13 H new ATOM 0 HA LYS A 183 5.282 4.638 10.390 1.00 54.21 H new ATOM 0 HB2 LYS A 183 6.797 5.883 8.754 1.00 22.42 H new ATOM 0 HB3 LYS A 183 5.348 6.521 8.002 1.00 22.42 H new ATOM 0 HG2 LYS A 183 4.696 7.624 10.102 1.00 45.25 H new ATOM 0 HG3 LYS A 183 6.063 6.910 10.934 1.00 45.25 H new ATOM 0 HD2 LYS A 183 7.595 8.109 9.297 1.00 13.44 H new ATOM 0 HD3 LYS A 183 6.184 8.920 8.646 1.00 13.44 H new ATOM 0 HE2 LYS A 183 7.118 9.071 11.545 1.00 14.31 H new ATOM 0 HE3 LYS A 183 7.388 10.307 10.332 1.00 14.31 H new ATOM 0 HZ1 LYS A 183 5.506 10.877 11.686 1.00 61.44 H new ATOM 0 HZ2 LYS A 183 4.965 10.542 10.111 1.00 61.44 H new ATOM 0 HZ3 LYS A 183 4.743 9.399 11.347 1.00 61.44 H new ATOM 623 N ALA A 184 2.812 4.939 8.257 1.00 45.20 N ATOM 624 CA ALA A 184 1.358 5.095 8.150 1.00 54.32 C ATOM 625 C ALA A 184 0.627 4.090 9.054 1.00 72.23 C ATOM 626 O ALA A 184 -0.396 4.410 9.663 1.00 55.25 O ATOM 627 CB ALA A 184 0.914 4.929 6.698 1.00 52.31 C ATOM 0 H ALA A 184 3.264 4.631 7.396 1.00 45.20 H new ATOM 0 HA ALA A 184 1.098 6.099 8.484 1.00 54.32 H new ATOM 0 HB1 ALA A 184 -0.168 5.047 6.632 1.00 52.31 H new ATOM 0 HB2 ALA A 184 1.400 5.685 6.080 1.00 52.31 H new ATOM 0 HB3 ALA A 184 1.193 3.937 6.343 1.00 52.31 H new ATOM 633 N LEU A 185 1.158 2.871 9.126 1.00 74.11 N ATOM 634 CA LEU A 185 0.625 1.844 10.030 1.00 52.13 C ATOM 635 C LEU A 185 1.042 2.125 11.485 1.00 22.25 C ATOM 636 O LEU A 185 0.257 1.933 12.418 1.00 45.13 O ATOM 637 CB LEU A 185 1.123 0.454 9.609 1.00 4.14 C ATOM 638 CG LEU A 185 0.739 0.014 8.186 1.00 41.24 C ATOM 639 CD1 LEU A 185 1.317 -1.364 7.870 1.00 24.20 C ATOM 640 CD2 LEU A 185 -0.779 0.022 8.003 1.00 23.23 C ATOM 0 H LEU A 185 1.957 2.567 8.570 1.00 74.11 H new ATOM 0 HA LEU A 185 -0.463 1.871 9.967 1.00 52.13 H new ATOM 0 HB2 LEU A 185 2.209 0.435 9.695 1.00 4.14 H new ATOM 0 HB3 LEU A 185 0.735 -0.281 10.315 1.00 4.14 H new ATOM 0 HG LEU A 185 1.167 0.730 7.484 1.00 41.24 H new ATOM 0 HD11 LEU A 185 1.033 -1.655 6.859 1.00 24.20 H new ATOM 0 HD12 LEU A 185 2.404 -1.329 7.945 1.00 24.20 H new ATOM 0 HD13 LEU A 185 0.928 -2.093 8.580 1.00 24.20 H new ATOM 0 HD21 LEU A 185 -1.025 -0.293 6.989 1.00 23.23 H new ATOM 0 HD22 LEU A 185 -1.235 -0.664 8.717 1.00 23.23 H new ATOM 0 HD23 LEU A 185 -1.161 1.029 8.173 1.00 23.23 H new ATOM 652 N MET A 186 2.283 2.589 11.658 1.00 12.30 N ATOM 653 CA MET A 186 2.835 2.908 12.985 1.00 73.12 C ATOM 654 C MET A 186 1.941 3.897 13.750 1.00 43.13 C ATOM 655 O MET A 186 1.577 3.660 14.903 1.00 73.13 O ATOM 656 CB MET A 186 4.249 3.497 12.843 1.00 2.31 C ATOM 657 CG MET A 186 4.912 3.855 14.170 1.00 43.10 C ATOM 658 SD MET A 186 6.502 4.684 13.955 1.00 13.25 S ATOM 659 CE MET A 186 6.976 4.958 15.664 1.00 24.11 C ATOM 0 H MET A 186 2.933 2.755 10.889 1.00 12.30 H new ATOM 0 HA MET A 186 2.878 1.979 13.554 1.00 73.12 H new ATOM 0 HB2 MET A 186 4.878 2.779 12.317 1.00 2.31 H new ATOM 0 HB3 MET A 186 4.198 4.391 12.222 1.00 2.31 H new ATOM 0 HG2 MET A 186 4.245 4.500 14.742 1.00 43.10 H new ATOM 0 HG3 MET A 186 5.057 2.947 14.756 1.00 43.10 H new ATOM 0 HE1 MET A 186 7.941 5.464 15.697 1.00 24.11 H new ATOM 0 HE2 MET A 186 6.225 5.577 16.155 1.00 24.11 H new ATOM 0 HE3 MET A 186 7.050 4.000 16.179 1.00 24.11 H new ATOM 669 N MET A 187 1.581 5.003 13.100 1.00 13.40 N ATOM 670 CA MET A 187 0.760 6.044 13.738 1.00 64.22 C ATOM 671 C MET A 187 -0.691 5.585 13.981 1.00 31.33 C ATOM 672 O MET A 187 -1.485 6.315 14.577 1.00 61.23 O ATOM 673 CB MET A 187 0.770 7.329 12.896 1.00 34.10 C ATOM 674 CG MET A 187 0.143 7.180 11.514 1.00 55.51 C ATOM 675 SD MET A 187 0.138 8.727 10.585 1.00 2.24 S ATOM 676 CE MET A 187 -0.702 8.224 9.084 1.00 60.43 C ATOM 0 H MET A 187 1.841 5.206 12.135 1.00 13.40 H new ATOM 0 HA MET A 187 1.206 6.244 14.712 1.00 64.22 H new ATOM 0 HB2 MET A 187 0.239 8.110 13.440 1.00 34.10 H new ATOM 0 HB3 MET A 187 1.800 7.665 12.780 1.00 34.10 H new ATOM 0 HG2 MET A 187 0.690 6.424 10.951 1.00 55.51 H new ATOM 0 HG3 MET A 187 -0.881 6.821 11.620 1.00 55.51 H new ATOM 0 HE1 MET A 187 -0.073 8.448 8.223 1.00 60.43 H new ATOM 0 HE2 MET A 187 -0.901 7.153 9.120 1.00 60.43 H new ATOM 0 HE3 MET A 187 -1.644 8.765 8.996 1.00 60.43 H new ATOM 686 N ARG A 188 -1.036 4.381 13.519 1.00 40.14 N ATOM 687 CA ARG A 188 -2.389 3.835 13.707 1.00 61.45 C ATOM 688 C ARG A 188 -2.379 2.539 14.537 1.00 52.35 C ATOM 689 O ARG A 188 -3.425 1.922 14.746 1.00 11.14 O ATOM 690 CB ARG A 188 -3.046 3.568 12.347 1.00 44.42 C ATOM 691 CG ARG A 188 -3.208 4.814 11.482 1.00 44.34 C ATOM 692 CD ARG A 188 -4.034 4.523 10.236 1.00 24.20 C ATOM 693 NE ARG A 188 -5.373 4.049 10.576 1.00 71.35 N ATOM 694 CZ ARG A 188 -6.108 3.299 9.804 1.00 14.44 C ATOM 695 NH1 ARG A 188 -5.673 2.909 8.648 1.00 54.44 N ATOM 696 NH2 ARG A 188 -7.285 2.938 10.189 1.00 61.50 N ATOM 0 H ARG A 188 -0.401 3.764 13.013 1.00 40.14 H new ATOM 0 HA ARG A 188 -2.964 4.580 14.256 1.00 61.45 H new ATOM 0 HB2 ARG A 188 -2.449 2.836 11.804 1.00 44.42 H new ATOM 0 HB3 ARG A 188 -4.027 3.121 12.510 1.00 44.42 H new ATOM 0 HG2 ARG A 188 -3.688 5.602 12.063 1.00 44.34 H new ATOM 0 HG3 ARG A 188 -2.226 5.186 11.190 1.00 44.34 H new ATOM 0 HD2 ARG A 188 -4.110 5.426 9.630 1.00 24.20 H new ATOM 0 HD3 ARG A 188 -3.526 3.774 9.629 1.00 24.20 H new ATOM 0 HE ARG A 188 -5.759 4.324 11.479 1.00 71.35 H new ATOM 0 HH11 ARG A 188 -4.745 3.189 8.332 1.00 54.44 H new ATOM 0 HH12 ARG A 188 -6.259 2.322 8.054 1.00 54.44 H new ATOM 0 HH21 ARG A 188 -7.639 3.240 11.097 1.00 61.50 H new ATOM 0 HH22 ARG A 188 -7.861 2.351 9.586 1.00 61.50 H new ATOM 710 N GLY A 189 -1.197 2.129 15.000 1.00 22.44 N ATOM 711 CA GLY A 189 -1.082 0.917 15.811 1.00 73.13 C ATOM 712 C GLY A 189 -1.378 -0.367 15.038 1.00 1.42 C ATOM 713 O GLY A 189 -1.992 -1.296 15.570 1.00 62.14 O ATOM 0 H GLY A 189 -0.315 2.612 14.830 1.00 22.44 H new ATOM 0 HA2 GLY A 189 -0.074 0.859 16.222 1.00 73.13 H new ATOM 0 HA3 GLY A 189 -1.767 0.989 16.656 1.00 73.13 H new ATOM 717 N LEU A 190 -0.933 -0.422 13.784 1.00 11.20 N ATOM 718 CA LEU A 190 -1.172 -1.586 12.918 1.00 75.42 C ATOM 719 C LEU A 190 0.146 -2.197 12.410 1.00 30.00 C ATOM 720 O LEU A 190 1.167 -1.515 12.323 1.00 32.24 O ATOM 721 CB LEU A 190 -2.056 -1.176 11.727 1.00 12.44 C ATOM 722 CG LEU A 190 -3.459 -0.659 12.096 1.00 54.21 C ATOM 723 CD1 LEU A 190 -4.201 -0.167 10.857 1.00 13.05 C ATOM 724 CD2 LEU A 190 -4.261 -1.745 12.810 1.00 63.14 C ATOM 0 H LEU A 190 -0.402 0.327 13.339 1.00 11.20 H new ATOM 0 HA LEU A 190 -1.683 -2.346 13.510 1.00 75.42 H new ATOM 0 HB2 LEU A 190 -1.538 -0.401 11.161 1.00 12.44 H new ATOM 0 HB3 LEU A 190 -2.166 -2.035 11.065 1.00 12.44 H new ATOM 0 HG LEU A 190 -3.342 0.185 12.776 1.00 54.21 H new ATOM 0 HD11 LEU A 190 -5.189 0.193 11.144 1.00 13.05 H new ATOM 0 HD12 LEU A 190 -3.639 0.645 10.395 1.00 13.05 H new ATOM 0 HD13 LEU A 190 -4.306 -0.987 10.146 1.00 13.05 H new ATOM 0 HD21 LEU A 190 -5.249 -1.361 13.063 1.00 63.14 H new ATOM 0 HD22 LEU A 190 -4.365 -2.610 12.156 1.00 63.14 H new ATOM 0 HD23 LEU A 190 -3.742 -2.040 13.722 1.00 63.14 H new ATOM 736 N ILE A 191 0.110 -3.487 12.074 1.00 41.43 N ATOM 737 CA ILE A 191 1.289 -4.198 11.559 1.00 71.23 C ATOM 738 C ILE A 191 1.019 -4.799 10.167 1.00 74.21 C ATOM 739 O ILE A 191 -0.104 -5.215 9.874 1.00 32.10 O ATOM 740 CB ILE A 191 1.739 -5.325 12.528 1.00 11.31 C ATOM 741 CG1 ILE A 191 0.580 -6.301 12.807 1.00 54.25 C ATOM 742 CG2 ILE A 191 2.277 -4.734 13.830 1.00 61.21 C ATOM 743 CD1 ILE A 191 0.949 -7.451 13.725 1.00 24.43 C ATOM 0 H ILE A 191 -0.726 -4.067 12.149 1.00 41.43 H new ATOM 0 HA ILE A 191 2.089 -3.462 11.477 1.00 71.23 H new ATOM 0 HB ILE A 191 2.544 -5.884 12.050 1.00 11.31 H new ATOM 0 HG12 ILE A 191 -0.249 -5.748 13.249 1.00 54.25 H new ATOM 0 HG13 ILE A 191 0.223 -6.706 11.860 1.00 54.25 H new ATOM 0 HG21 ILE A 191 2.587 -5.540 14.495 1.00 61.21 H new ATOM 0 HG22 ILE A 191 3.132 -4.094 13.613 1.00 61.21 H new ATOM 0 HG23 ILE A 191 1.496 -4.146 14.312 1.00 61.21 H new ATOM 0 HD11 ILE A 191 0.080 -8.092 13.872 1.00 24.43 H new ATOM 0 HD12 ILE A 191 1.756 -8.030 13.276 1.00 24.43 H new ATOM 0 HD13 ILE A 191 1.277 -7.058 14.687 1.00 24.43 H new ATOM 755 N PRO A 192 2.049 -4.854 9.293 1.00 31.54 N ATOM 756 CA PRO A 192 1.909 -5.360 7.909 1.00 41.15 C ATOM 757 C PRO A 192 1.242 -6.745 7.809 1.00 64.35 C ATOM 758 O PRO A 192 0.362 -6.954 6.973 1.00 51.33 O ATOM 759 CB PRO A 192 3.359 -5.423 7.408 1.00 61.54 C ATOM 760 CG PRO A 192 4.072 -4.387 8.208 1.00 72.31 C ATOM 761 CD PRO A 192 3.432 -4.413 9.572 1.00 45.13 C ATOM 0 HA PRO A 192 1.255 -4.715 7.322 1.00 41.15 H new ATOM 0 HB2 PRO A 192 3.791 -6.412 7.563 1.00 61.54 H new ATOM 0 HB3 PRO A 192 3.420 -5.213 6.340 1.00 61.54 H new ATOM 0 HG2 PRO A 192 5.138 -4.606 8.271 1.00 72.31 H new ATOM 0 HG3 PRO A 192 3.976 -3.403 7.749 1.00 72.31 H new ATOM 0 HD2 PRO A 192 3.945 -5.101 10.244 1.00 45.13 H new ATOM 0 HD3 PRO A 192 3.453 -3.431 10.045 1.00 45.13 H new ATOM 769 N GLU A 193 1.640 -7.686 8.671 1.00 43.23 N ATOM 770 CA GLU A 193 1.087 -9.055 8.625 1.00 75.12 C ATOM 771 C GLU A 193 -0.401 -9.101 9.029 1.00 73.23 C ATOM 772 O GLU A 193 -1.035 -10.157 8.980 1.00 41.50 O ATOM 773 CB GLU A 193 1.898 -10.002 9.523 1.00 0.12 C ATOM 774 CG GLU A 193 1.893 -9.617 10.999 1.00 11.32 C ATOM 775 CD GLU A 193 2.540 -10.671 11.886 1.00 64.31 C ATOM 776 OE1 GLU A 193 3.783 -10.666 12.022 1.00 40.20 O ATOM 777 OE2 GLU A 193 1.813 -11.515 12.446 1.00 42.44 O ATOM 0 H GLU A 193 2.334 -7.534 9.403 1.00 43.23 H new ATOM 0 HA GLU A 193 1.161 -9.386 7.589 1.00 75.12 H new ATOM 0 HB2 GLU A 193 1.500 -11.012 9.421 1.00 0.12 H new ATOM 0 HB3 GLU A 193 2.928 -10.028 9.169 1.00 0.12 H new ATOM 0 HG2 GLU A 193 2.419 -8.671 11.125 1.00 11.32 H new ATOM 0 HG3 GLU A 193 0.865 -9.456 11.324 1.00 11.32 H new ATOM 784 N CYS A 194 -0.954 -7.960 9.436 1.00 51.12 N ATOM 785 CA CYS A 194 -2.377 -7.863 9.797 1.00 73.11 C ATOM 786 C CYS A 194 -3.206 -7.250 8.655 1.00 24.33 C ATOM 787 O CYS A 194 -4.435 -7.194 8.724 1.00 61.25 O ATOM 788 CB CYS A 194 -2.542 -7.019 11.067 1.00 24.44 C ATOM 789 SG CYS A 194 -4.260 -6.735 11.564 1.00 14.00 S ATOM 0 H CYS A 194 -0.440 -7.083 9.526 1.00 51.12 H new ATOM 0 HA CYS A 194 -2.744 -8.873 9.980 1.00 73.11 H new ATOM 0 HB2 CYS A 194 -2.017 -7.511 11.886 1.00 24.44 H new ATOM 0 HB3 CYS A 194 -2.058 -6.055 10.912 1.00 24.44 H new ATOM 0 HG CYS A 194 -5.058 -7.183 10.641 1.00 14.00 H new ATOM 795 N CYS A 195 -2.529 -6.808 7.595 1.00 5.13 N ATOM 796 CA CYS A 195 -3.195 -6.132 6.474 1.00 30.50 C ATOM 797 C CYS A 195 -2.660 -6.610 5.113 1.00 11.01 C ATOM 798 O CYS A 195 -1.475 -6.901 4.963 1.00 31.40 O ATOM 799 CB CYS A 195 -3.023 -4.610 6.592 1.00 74.42 C ATOM 800 SG CYS A 195 -3.753 -3.895 8.085 1.00 74.32 S ATOM 0 H CYS A 195 -1.519 -6.904 7.486 1.00 5.13 H new ATOM 0 HA CYS A 195 -4.254 -6.387 6.526 1.00 30.50 H new ATOM 0 HB2 CYS A 195 -1.959 -4.373 6.572 1.00 74.42 H new ATOM 0 HB3 CYS A 195 -3.472 -4.136 5.719 1.00 74.42 H new ATOM 0 HG CYS A 195 -3.075 -2.843 8.439 1.00 74.32 H new ATOM 806 N ALA A 196 -3.545 -6.696 4.125 1.00 34.12 N ATOM 807 CA ALA A 196 -3.165 -7.095 2.764 1.00 41.35 C ATOM 808 C ALA A 196 -3.311 -5.931 1.776 1.00 51.12 C ATOM 809 O ALA A 196 -4.291 -5.186 1.820 1.00 24.10 O ATOM 810 CB ALA A 196 -4.016 -8.274 2.305 1.00 2.04 C ATOM 0 H ALA A 196 -4.538 -6.494 4.238 1.00 34.12 H new ATOM 0 HA ALA A 196 -2.116 -7.391 2.785 1.00 41.35 H new ATOM 0 HB1 ALA A 196 -3.725 -8.561 1.294 1.00 2.04 H new ATOM 0 HB2 ALA A 196 -3.864 -9.117 2.979 1.00 2.04 H new ATOM 0 HB3 ALA A 196 -5.068 -7.988 2.313 1.00 2.04 H new ATOM 816 N VAL A 197 -2.328 -5.782 0.892 1.00 1.30 N ATOM 817 CA VAL A 197 -2.372 -4.768 -0.167 1.00 64.33 C ATOM 818 C VAL A 197 -2.740 -5.417 -1.510 1.00 22.25 C ATOM 819 O VAL A 197 -2.289 -6.521 -1.813 1.00 41.34 O ATOM 820 CB VAL A 197 -1.008 -4.040 -0.309 1.00 63.35 C ATOM 821 CG1 VAL A 197 -1.081 -2.933 -1.362 1.00 62.03 C ATOM 822 CG2 VAL A 197 -0.548 -3.479 1.037 1.00 31.20 C ATOM 0 H VAL A 197 -1.483 -6.354 0.886 1.00 1.30 H new ATOM 0 HA VAL A 197 -3.131 -4.036 0.109 1.00 64.33 H new ATOM 0 HB VAL A 197 -0.272 -4.772 -0.642 1.00 63.35 H new ATOM 0 HG11 VAL A 197 -0.112 -2.440 -1.440 1.00 62.03 H new ATOM 0 HG12 VAL A 197 -1.347 -3.365 -2.327 1.00 62.03 H new ATOM 0 HG13 VAL A 197 -1.836 -2.203 -1.071 1.00 62.03 H new ATOM 0 HG21 VAL A 197 0.410 -2.974 0.912 1.00 31.20 H new ATOM 0 HG22 VAL A 197 -1.288 -2.769 1.407 1.00 31.20 H new ATOM 0 HG23 VAL A 197 -0.438 -4.294 1.752 1.00 31.20 H new ATOM 832 N TYR A 198 -3.570 -4.747 -2.305 1.00 24.31 N ATOM 833 CA TYR A 198 -3.938 -5.259 -3.630 1.00 61.02 C ATOM 834 C TYR A 198 -4.425 -4.143 -4.563 1.00 3.21 C ATOM 835 O TYR A 198 -4.843 -3.072 -4.116 1.00 5.43 O ATOM 836 CB TYR A 198 -5.018 -6.350 -3.505 1.00 31.11 C ATOM 837 CG TYR A 198 -6.311 -5.871 -2.871 1.00 62.21 C ATOM 838 CD1 TYR A 198 -6.460 -5.836 -1.488 1.00 20.22 C ATOM 839 CD2 TYR A 198 -7.382 -5.447 -3.655 1.00 60.35 C ATOM 840 CE1 TYR A 198 -7.632 -5.396 -0.907 1.00 43.11 C ATOM 841 CE2 TYR A 198 -8.557 -5.008 -3.079 1.00 11.43 C ATOM 842 CZ TYR A 198 -8.677 -4.984 -1.704 1.00 13.41 C ATOM 843 OH TYR A 198 -9.845 -4.538 -1.127 1.00 42.04 O ATOM 0 H TYR A 198 -4.000 -3.855 -2.061 1.00 24.31 H new ATOM 0 HA TYR A 198 -3.039 -5.690 -4.070 1.00 61.02 H new ATOM 0 HB2 TYR A 198 -5.237 -6.745 -4.497 1.00 31.11 H new ATOM 0 HB3 TYR A 198 -4.620 -7.175 -2.914 1.00 31.11 H new ATOM 0 HD1 TYR A 198 -5.644 -6.159 -0.858 1.00 20.22 H new ATOM 0 HD2 TYR A 198 -7.291 -5.462 -4.731 1.00 60.35 H new ATOM 0 HE1 TYR A 198 -7.729 -5.375 0.168 1.00 43.11 H new ATOM 0 HE2 TYR A 198 -9.379 -4.685 -3.701 1.00 11.43 H new ATOM 0 HH TYR A 198 -10.480 -4.284 -1.829 1.00 42.04 H new ATOM 853 N ARG A 199 -4.358 -4.398 -5.866 1.00 30.23 N ATOM 854 CA ARG A 199 -4.879 -3.463 -6.870 1.00 34.12 C ATOM 855 C ARG A 199 -6.128 -4.024 -7.555 1.00 65.23 C ATOM 856 O ARG A 199 -6.197 -5.214 -7.862 1.00 3.10 O ATOM 857 CB ARG A 199 -3.815 -3.147 -7.932 1.00 1.02 C ATOM 858 CG ARG A 199 -2.619 -2.373 -7.391 1.00 12.34 C ATOM 859 CD ARG A 199 -1.660 -1.935 -8.500 1.00 41.24 C ATOM 860 NE ARG A 199 -1.058 -3.071 -9.200 1.00 63.34 N ATOM 861 CZ ARG A 199 -0.103 -2.970 -10.088 1.00 33.34 C ATOM 862 NH1 ARG A 199 0.361 -1.812 -10.427 1.00 4.13 N ATOM 863 NH2 ARG A 199 0.383 -4.030 -10.639 1.00 32.51 N ATOM 0 H ARG A 199 -3.947 -5.246 -6.257 1.00 30.23 H new ATOM 0 HA ARG A 199 -5.146 -2.545 -6.347 1.00 34.12 H new ATOM 0 HB2 ARG A 199 -3.464 -4.081 -8.370 1.00 1.02 H new ATOM 0 HB3 ARG A 199 -4.276 -2.571 -8.735 1.00 1.02 H new ATOM 0 HG2 ARG A 199 -2.972 -1.494 -6.851 1.00 12.34 H new ATOM 0 HG3 ARG A 199 -2.082 -2.994 -6.674 1.00 12.34 H new ATOM 0 HD2 ARG A 199 -2.197 -1.314 -9.217 1.00 41.24 H new ATOM 0 HD3 ARG A 199 -0.871 -1.317 -8.071 1.00 41.24 H new ATOM 0 HE ARG A 199 -1.407 -4.004 -8.980 1.00 63.34 H new ATOM 0 HH11 ARG A 199 -0.018 -0.966 -10.001 1.00 4.13 H new ATOM 0 HH12 ARG A 199 1.106 -1.744 -11.121 1.00 4.13 H new ATOM 0 HH21 ARG A 199 0.023 -4.949 -10.382 1.00 32.51 H new ATOM 0 HH22 ARG A 199 1.128 -3.949 -11.331 1.00 32.51 H new ATOM 877 N ILE A 200 -7.113 -3.163 -7.787 1.00 61.53 N ATOM 878 CA ILE A 200 -8.318 -3.550 -8.517 1.00 11.22 C ATOM 879 C ILE A 200 -8.236 -3.059 -9.969 1.00 15.03 C ATOM 880 O ILE A 200 -8.533 -1.903 -10.271 1.00 1.24 O ATOM 881 CB ILE A 200 -9.601 -2.996 -7.843 1.00 62.24 C ATOM 882 CG1 ILE A 200 -9.697 -3.501 -6.392 1.00 45.50 C ATOM 883 CG2 ILE A 200 -10.845 -3.404 -8.638 1.00 34.44 C ATOM 884 CD1 ILE A 200 -10.910 -2.990 -5.643 1.00 14.04 C ATOM 0 H ILE A 200 -7.102 -2.190 -7.480 1.00 61.53 H new ATOM 0 HA ILE A 200 -8.377 -4.638 -8.503 1.00 11.22 H new ATOM 0 HB ILE A 200 -9.547 -1.907 -7.831 1.00 62.24 H new ATOM 0 HG12 ILE A 200 -9.718 -4.591 -6.398 1.00 45.50 H new ATOM 0 HG13 ILE A 200 -8.797 -3.203 -5.854 1.00 45.50 H new ATOM 0 HG21 ILE A 200 -11.735 -3.007 -8.150 1.00 34.44 H new ATOM 0 HG22 ILE A 200 -10.777 -3.005 -9.650 1.00 34.44 H new ATOM 0 HG23 ILE A 200 -10.909 -4.491 -8.680 1.00 34.44 H new ATOM 0 HD11 ILE A 200 -10.907 -3.390 -4.629 1.00 14.04 H new ATOM 0 HD12 ILE A 200 -10.881 -1.901 -5.604 1.00 14.04 H new ATOM 0 HD13 ILE A 200 -11.816 -3.311 -6.156 1.00 14.04 H new ATOM 896 N GLN A 201 -7.807 -3.942 -10.861 1.00 71.35 N ATOM 897 CA GLN A 201 -7.644 -3.598 -12.275 1.00 42.23 C ATOM 898 C GLN A 201 -8.798 -4.184 -13.096 1.00 50.22 C ATOM 899 O GLN A 201 -8.884 -5.396 -13.280 1.00 73.43 O ATOM 900 CB GLN A 201 -6.281 -4.119 -12.777 1.00 55.50 C ATOM 901 CG GLN A 201 -5.879 -3.632 -14.172 1.00 32.51 C ATOM 902 CD GLN A 201 -6.568 -4.371 -15.313 1.00 74.31 C ATOM 903 OE1 GLN A 201 -6.835 -5.650 -15.128 1.00 62.21 O flip ATOM 904 NE2 GLN A 201 -6.841 -3.798 -16.364 1.00 12.44 N flip ATOM 0 H GLN A 201 -7.564 -4.906 -10.633 1.00 71.35 H new ATOM 0 HA GLN A 201 -7.666 -2.515 -12.394 1.00 42.23 H new ATOM 0 HB2 GLN A 201 -5.510 -3.819 -12.067 1.00 55.50 H new ATOM 0 HB3 GLN A 201 -6.304 -5.209 -12.781 1.00 55.50 H new ATOM 0 HG2 GLN A 201 -6.106 -2.569 -14.253 1.00 32.51 H new ATOM 0 HG3 GLN A 201 -4.800 -3.737 -14.285 1.00 32.51 H new ATOM 0 HE21 GLN A 201 -6.622 -2.808 -16.477 1.00 12.44 H new ATOM 0 HE22 GLN A 201 -7.287 -4.312 -17.124 1.00 12.44 H new ATOM 913 N ASP A 202 -9.704 -3.316 -13.551 1.00 73.04 N ATOM 914 CA ASP A 202 -10.870 -3.735 -14.344 1.00 14.44 C ATOM 915 C ASP A 202 -11.755 -4.745 -13.567 1.00 44.13 C ATOM 916 O ASP A 202 -12.578 -5.458 -14.150 1.00 53.41 O ATOM 917 CB ASP A 202 -10.393 -4.322 -15.688 1.00 74.21 C ATOM 918 CG ASP A 202 -11.525 -4.539 -16.675 1.00 42.44 C ATOM 919 OD1 ASP A 202 -12.177 -3.549 -17.069 1.00 22.50 O ATOM 920 OD2 ASP A 202 -11.767 -5.696 -17.075 1.00 54.23 O ATOM 0 H ASP A 202 -9.655 -2.311 -13.384 1.00 73.04 H new ATOM 0 HA ASP A 202 -11.492 -2.862 -14.541 1.00 14.44 H new ATOM 0 HB2 ASP A 202 -9.656 -3.651 -16.130 1.00 74.21 H new ATOM 0 HB3 ASP A 202 -9.890 -5.272 -15.505 1.00 74.21 H new ATOM 925 N GLY A 203 -11.608 -4.767 -12.239 1.00 41.01 N ATOM 926 CA GLY A 203 -12.360 -5.704 -11.402 1.00 14.54 C ATOM 927 C GLY A 203 -11.498 -6.827 -10.830 1.00 2.25 C ATOM 928 O GLY A 203 -11.924 -7.554 -9.930 1.00 32.32 O ATOM 0 H GLY A 203 -10.979 -4.151 -11.724 1.00 41.01 H new ATOM 0 HA2 GLY A 203 -12.823 -5.156 -10.581 1.00 14.54 H new ATOM 0 HA3 GLY A 203 -13.168 -6.139 -11.991 1.00 14.54 H new ATOM 932 N GLU A 204 -10.283 -6.967 -11.353 1.00 63.43 N ATOM 933 CA GLU A 204 -9.349 -8.011 -10.908 1.00 62.33 C ATOM 934 C GLU A 204 -8.558 -7.581 -9.659 1.00 33.33 C ATOM 935 O GLU A 204 -7.795 -6.616 -9.704 1.00 15.40 O ATOM 936 CB GLU A 204 -8.358 -8.337 -12.036 1.00 43.21 C ATOM 937 CG GLU A 204 -9.010 -8.803 -13.333 1.00 60.51 C ATOM 938 CD GLU A 204 -8.000 -8.969 -14.460 1.00 53.34 C ATOM 939 OE1 GLU A 204 -7.088 -9.817 -14.327 1.00 63.44 O ATOM 940 OE2 GLU A 204 -8.107 -8.258 -15.482 1.00 3.22 O ATOM 0 H GLU A 204 -9.915 -6.368 -12.092 1.00 63.43 H new ATOM 0 HA GLU A 204 -9.941 -8.890 -10.653 1.00 62.33 H new ATOM 0 HB2 GLU A 204 -7.758 -7.451 -12.243 1.00 43.21 H new ATOM 0 HB3 GLU A 204 -7.674 -9.111 -11.689 1.00 43.21 H new ATOM 0 HG2 GLU A 204 -9.518 -9.752 -13.161 1.00 60.51 H new ATOM 0 HG3 GLU A 204 -9.771 -8.083 -13.633 1.00 60.51 H new ATOM 947 N LYS A 205 -8.740 -8.303 -8.552 1.00 65.22 N ATOM 948 CA LYS A 205 -7.950 -8.072 -7.332 1.00 53.51 C ATOM 949 C LYS A 205 -6.569 -8.747 -7.426 1.00 21.40 C ATOM 950 O LYS A 205 -6.468 -9.976 -7.389 1.00 20.21 O ATOM 951 CB LYS A 205 -8.694 -8.605 -6.094 1.00 3.34 C ATOM 952 CG LYS A 205 -9.984 -7.859 -5.763 1.00 40.15 C ATOM 953 CD LYS A 205 -10.717 -8.500 -4.583 1.00 63.23 C ATOM 954 CE LYS A 205 -9.861 -8.525 -3.317 1.00 40.43 C ATOM 955 NZ LYS A 205 -10.553 -9.203 -2.188 1.00 72.12 N ATOM 0 H LYS A 205 -9.426 -9.053 -8.471 1.00 65.22 H new ATOM 0 HA LYS A 205 -7.809 -6.996 -7.234 1.00 53.51 H new ATOM 0 HB2 LYS A 205 -8.928 -9.658 -6.251 1.00 3.34 H new ATOM 0 HB3 LYS A 205 -8.027 -8.552 -5.234 1.00 3.34 H new ATOM 0 HG2 LYS A 205 -9.754 -6.820 -5.528 1.00 40.15 H new ATOM 0 HG3 LYS A 205 -10.636 -7.852 -6.637 1.00 40.15 H new ATOM 0 HD2 LYS A 205 -11.637 -7.950 -4.387 1.00 63.23 H new ATOM 0 HD3 LYS A 205 -11.004 -9.518 -4.846 1.00 63.23 H new ATOM 0 HE2 LYS A 205 -8.921 -9.036 -3.525 1.00 40.43 H new ATOM 0 HE3 LYS A 205 -9.611 -7.504 -3.028 1.00 40.43 H new ATOM 0 HZ1 LYS A 205 -9.937 -9.197 -1.350 1.00 72.12 H new ATOM 0 HZ2 LYS A 205 -11.438 -8.701 -1.971 1.00 72.12 H new ATOM 0 HZ3 LYS A 205 -10.769 -10.185 -2.453 1.00 72.12 H new ATOM 969 N LYS A 206 -5.509 -7.948 -7.556 1.00 12.31 N ATOM 970 CA LYS A 206 -4.138 -8.480 -7.600 1.00 33.41 C ATOM 971 C LYS A 206 -3.417 -8.273 -6.255 1.00 72.13 C ATOM 972 O LYS A 206 -3.041 -7.151 -5.911 1.00 4.00 O ATOM 973 CB LYS A 206 -3.345 -7.814 -8.735 1.00 34.25 C ATOM 974 CG LYS A 206 -3.820 -8.201 -10.136 1.00 10.23 C ATOM 975 CD LYS A 206 -3.641 -9.696 -10.401 1.00 15.52 C ATOM 976 CE LYS A 206 -4.046 -10.077 -11.821 1.00 52.14 C ATOM 977 NZ LYS A 206 -5.468 -9.747 -12.106 1.00 0.02 N ATOM 0 H LYS A 206 -5.569 -6.933 -7.633 1.00 12.31 H new ATOM 0 HA LYS A 206 -4.198 -9.552 -7.790 1.00 33.41 H new ATOM 0 HB2 LYS A 206 -3.413 -6.732 -8.625 1.00 34.25 H new ATOM 0 HB3 LYS A 206 -2.293 -8.079 -8.633 1.00 34.25 H new ATOM 0 HG2 LYS A 206 -4.871 -7.934 -10.251 1.00 10.23 H new ATOM 0 HG3 LYS A 206 -3.263 -7.630 -10.879 1.00 10.23 H new ATOM 0 HD2 LYS A 206 -2.600 -9.971 -10.235 1.00 15.52 H new ATOM 0 HD3 LYS A 206 -4.239 -10.265 -9.689 1.00 15.52 H new ATOM 0 HE2 LYS A 206 -3.404 -9.557 -12.532 1.00 52.14 H new ATOM 0 HE3 LYS A 206 -3.886 -11.145 -11.969 1.00 52.14 H new ATOM 0 HZ1 LYS A 206 -5.704 -10.038 -13.076 1.00 0.02 H new ATOM 0 HZ2 LYS A 206 -6.082 -10.250 -11.434 1.00 0.02 H new ATOM 0 HZ3 LYS A 206 -5.613 -8.722 -12.008 1.00 0.02 H new ATOM 991 N PRO A 207 -3.223 -9.357 -5.474 1.00 73.52 N ATOM 992 CA PRO A 207 -2.579 -9.284 -4.147 1.00 51.20 C ATOM 993 C PRO A 207 -1.088 -8.911 -4.221 1.00 23.50 C ATOM 994 O PRO A 207 -0.273 -9.655 -4.774 1.00 0.33 O ATOM 995 CB PRO A 207 -2.750 -10.709 -3.579 1.00 0.44 C ATOM 996 CG PRO A 207 -3.772 -11.362 -4.452 1.00 3.43 C ATOM 997 CD PRO A 207 -3.612 -10.735 -5.806 1.00 63.44 C ATOM 0 HA PRO A 207 -3.029 -8.506 -3.530 1.00 51.20 H new ATOM 0 HB2 PRO A 207 -1.808 -11.256 -3.600 1.00 0.44 H new ATOM 0 HB3 PRO A 207 -3.080 -10.681 -2.540 1.00 0.44 H new ATOM 0 HG2 PRO A 207 -3.615 -12.440 -4.499 1.00 3.43 H new ATOM 0 HG3 PRO A 207 -4.778 -11.203 -4.063 1.00 3.43 H new ATOM 0 HD2 PRO A 207 -2.850 -11.240 -6.400 1.00 63.44 H new ATOM 0 HD3 PRO A 207 -4.538 -10.768 -6.381 1.00 63.44 H new ATOM 1005 N ILE A 208 -0.740 -7.762 -3.652 1.00 64.30 N ATOM 1006 CA ILE A 208 0.638 -7.263 -3.656 1.00 1.33 C ATOM 1007 C ILE A 208 1.344 -7.517 -2.314 1.00 64.14 C ATOM 1008 O ILE A 208 0.788 -7.267 -1.241 1.00 34.52 O ATOM 1009 CB ILE A 208 0.671 -5.746 -3.971 1.00 64.34 C ATOM 1010 CG1 ILE A 208 0.045 -5.478 -5.349 1.00 73.05 C ATOM 1011 CG2 ILE A 208 2.102 -5.207 -3.915 1.00 35.45 C ATOM 1012 CD1 ILE A 208 0.023 -4.017 -5.734 1.00 15.32 C ATOM 0 H ILE A 208 -1.401 -7.149 -3.175 1.00 64.30 H new ATOM 0 HA ILE A 208 1.170 -7.811 -4.434 1.00 1.33 H new ATOM 0 HB ILE A 208 0.086 -5.224 -3.213 1.00 64.34 H new ATOM 0 HG12 ILE A 208 0.599 -6.035 -6.104 1.00 73.05 H new ATOM 0 HG13 ILE A 208 -0.975 -5.861 -5.355 1.00 73.05 H new ATOM 0 HG21 ILE A 208 2.098 -4.140 -4.140 1.00 35.45 H new ATOM 0 HG22 ILE A 208 2.512 -5.366 -2.918 1.00 35.45 H new ATOM 0 HG23 ILE A 208 2.717 -5.730 -4.648 1.00 35.45 H new ATOM 0 HD11 ILE A 208 -0.433 -3.907 -6.718 1.00 15.32 H new ATOM 0 HD12 ILE A 208 -0.557 -3.456 -5.001 1.00 15.32 H new ATOM 0 HD13 ILE A 208 1.043 -3.633 -5.761 1.00 15.32 H new ATOM 1024 N GLY A 209 2.566 -8.028 -2.384 1.00 61.23 N ATOM 1025 CA GLY A 209 3.367 -8.234 -1.186 1.00 0.32 C ATOM 1026 C GLY A 209 3.972 -6.941 -0.647 1.00 52.53 C ATOM 1027 O GLY A 209 4.376 -6.075 -1.422 1.00 23.12 O ATOM 0 H GLY A 209 3.022 -8.306 -3.253 1.00 61.23 H new ATOM 0 HA2 GLY A 209 2.746 -8.688 -0.414 1.00 0.32 H new ATOM 0 HA3 GLY A 209 4.168 -8.939 -1.407 1.00 0.32 H new ATOM 1031 N TRP A 210 4.049 -6.806 0.678 1.00 41.24 N ATOM 1032 CA TRP A 210 4.676 -5.634 1.301 1.00 35.35 C ATOM 1033 C TRP A 210 6.155 -5.514 0.888 1.00 34.31 C ATOM 1034 O TRP A 210 6.743 -4.434 0.945 1.00 40.12 O ATOM 1035 CB TRP A 210 4.557 -5.719 2.829 1.00 73.54 C ATOM 1036 CG TRP A 210 3.148 -5.592 3.339 1.00 43.24 C ATOM 1037 CD1 TRP A 210 2.264 -6.603 3.594 1.00 32.44 C ATOM 1038 CD2 TRP A 210 2.465 -4.375 3.666 1.00 2.42 C ATOM 1039 NE1 TRP A 210 1.079 -6.087 4.057 1.00 23.54 N ATOM 1040 CE2 TRP A 210 1.177 -4.725 4.108 1.00 72.32 C ATOM 1041 CE3 TRP A 210 2.819 -3.024 3.626 1.00 11.31 C ATOM 1042 CZ2 TRP A 210 0.243 -3.775 4.510 1.00 25.15 C ATOM 1043 CZ3 TRP A 210 1.893 -2.080 4.025 1.00 73.32 C ATOM 1044 CH2 TRP A 210 0.617 -2.459 4.460 1.00 51.52 C ATOM 0 H TRP A 210 3.686 -7.491 1.341 1.00 41.24 H new ATOM 0 HA TRP A 210 4.153 -4.743 0.953 1.00 35.35 H new ATOM 0 HB2 TRP A 210 4.969 -6.671 3.163 1.00 73.54 H new ATOM 0 HB3 TRP A 210 5.167 -4.933 3.275 1.00 73.54 H new ATOM 0 HD1 TRP A 210 2.468 -7.654 3.452 1.00 32.44 H new ATOM 0 HE1 TRP A 210 0.258 -6.632 4.320 1.00 23.54 H new ATOM 0 HE3 TRP A 210 3.800 -2.723 3.289 1.00 11.31 H new ATOM 0 HZ2 TRP A 210 -0.741 -4.065 4.849 1.00 25.15 H new ATOM 0 HZ3 TRP A 210 2.157 -1.033 4.001 1.00 73.32 H new ATOM 0 HH2 TRP A 210 -0.087 -1.697 4.762 1.00 51.52 H new ATOM 1055 N ASP A 211 6.736 -6.637 0.462 1.00 31.11 N ATOM 1056 CA ASP A 211 8.131 -6.686 0.004 1.00 63.34 C ATOM 1057 C ASP A 211 8.294 -6.137 -1.430 1.00 20.23 C ATOM 1058 O ASP A 211 9.411 -6.025 -1.941 1.00 32.14 O ATOM 1059 CB ASP A 211 8.631 -8.132 0.067 1.00 51.33 C ATOM 1060 CG ASP A 211 7.758 -9.074 -0.749 1.00 75.41 C ATOM 1061 OD1 ASP A 211 6.680 -9.469 -0.257 1.00 11.32 O ATOM 1062 OD2 ASP A 211 8.136 -9.418 -1.887 1.00 44.24 O ATOM 0 H ASP A 211 6.257 -7.537 0.424 1.00 31.11 H new ATOM 0 HA ASP A 211 8.723 -6.051 0.663 1.00 63.34 H new ATOM 0 HB2 ASP A 211 9.656 -8.177 -0.301 1.00 51.33 H new ATOM 0 HB3 ASP A 211 8.650 -8.464 1.105 1.00 51.33 H new ATOM 1067 N THR A 212 7.180 -5.808 -2.075 1.00 22.21 N ATOM 1068 CA THR A 212 7.198 -5.276 -3.446 1.00 41.05 C ATOM 1069 C THR A 212 7.681 -3.822 -3.474 1.00 74.12 C ATOM 1070 O THR A 212 7.277 -3.012 -2.639 1.00 31.32 O ATOM 1071 CB THR A 212 5.793 -5.343 -4.092 1.00 53.23 C ATOM 1072 OG1 THR A 212 5.285 -6.684 -4.023 1.00 74.12 O ATOM 1073 CG2 THR A 212 5.823 -4.885 -5.548 1.00 74.13 C ATOM 0 H THR A 212 6.246 -5.898 -1.674 1.00 22.21 H new ATOM 0 HA THR A 212 7.890 -5.898 -4.014 1.00 41.05 H new ATOM 0 HB THR A 212 5.140 -4.670 -3.536 1.00 53.23 H new ATOM 0 HG1 THR A 212 4.845 -6.823 -3.159 1.00 74.12 H new ATOM 0 HG21 THR A 212 4.819 -4.945 -5.969 1.00 74.13 H new ATOM 0 HG22 THR A 212 6.176 -3.855 -5.598 1.00 74.13 H new ATOM 0 HG23 THR A 212 6.495 -5.527 -6.118 1.00 74.13 H new ATOM 1081 N ASP A 213 8.542 -3.493 -4.434 1.00 52.25 N ATOM 1082 CA ASP A 213 9.051 -2.127 -4.576 1.00 4.25 C ATOM 1083 C ASP A 213 7.957 -1.187 -5.113 1.00 72.44 C ATOM 1084 O ASP A 213 7.318 -1.470 -6.129 1.00 54.42 O ATOM 1085 CB ASP A 213 10.271 -2.118 -5.499 1.00 32.14 C ATOM 1086 CG ASP A 213 10.999 -0.787 -5.487 1.00 50.25 C ATOM 1087 OD1 ASP A 213 11.842 -0.580 -4.594 1.00 75.52 O ATOM 1088 OD2 ASP A 213 10.735 0.051 -6.369 1.00 10.51 O ATOM 0 H ASP A 213 8.903 -4.151 -5.125 1.00 52.25 H new ATOM 0 HA ASP A 213 9.351 -1.764 -3.593 1.00 4.25 H new ATOM 0 HB2 ASP A 213 10.959 -2.907 -5.195 1.00 32.14 H new ATOM 0 HB3 ASP A 213 9.954 -2.346 -6.517 1.00 32.14 H new ATOM 1093 N ILE A 214 7.759 -0.061 -4.432 1.00 52.43 N ATOM 1094 CA ILE A 214 6.660 0.859 -4.747 1.00 71.31 C ATOM 1095 C ILE A 214 6.815 1.522 -6.136 1.00 13.01 C ATOM 1096 O ILE A 214 5.829 1.952 -6.738 1.00 51.12 O ATOM 1097 CB ILE A 214 6.519 1.948 -3.649 1.00 11.11 C ATOM 1098 CG1 ILE A 214 5.283 2.833 -3.906 1.00 53.33 C ATOM 1099 CG2 ILE A 214 7.787 2.794 -3.566 1.00 4.40 C ATOM 1100 CD1 ILE A 214 5.062 3.908 -2.862 1.00 44.43 C ATOM 0 H ILE A 214 8.346 0.241 -3.654 1.00 52.43 H new ATOM 0 HA ILE A 214 5.752 0.257 -4.776 1.00 71.31 H new ATOM 0 HB ILE A 214 6.379 1.449 -2.690 1.00 11.11 H new ATOM 0 HG12 ILE A 214 5.385 3.306 -4.883 1.00 53.33 H new ATOM 0 HG13 ILE A 214 4.398 2.198 -3.951 1.00 53.33 H new ATOM 0 HG21 ILE A 214 7.669 3.551 -2.791 1.00 4.40 H new ATOM 0 HG22 ILE A 214 8.636 2.155 -3.322 1.00 4.40 H new ATOM 0 HG23 ILE A 214 7.963 3.281 -4.525 1.00 4.40 H new ATOM 0 HD11 ILE A 214 4.173 4.485 -3.117 1.00 44.43 H new ATOM 0 HD12 ILE A 214 4.925 3.444 -1.885 1.00 44.43 H new ATOM 0 HD13 ILE A 214 5.928 4.569 -2.832 1.00 44.43 H new ATOM 1112 N SER A 215 8.043 1.584 -6.660 1.00 20.00 N ATOM 1113 CA SER A 215 8.288 2.181 -7.990 1.00 60.32 C ATOM 1114 C SER A 215 7.579 1.387 -9.102 1.00 5.11 C ATOM 1115 O SER A 215 7.328 1.903 -10.193 1.00 22.11 O ATOM 1116 CB SER A 215 9.794 2.256 -8.284 1.00 3.42 C ATOM 1117 OG SER A 215 10.054 2.855 -9.548 1.00 24.13 O ATOM 0 H SER A 215 8.880 1.234 -6.194 1.00 20.00 H new ATOM 0 HA SER A 215 7.878 3.191 -7.974 1.00 60.32 H new ATOM 0 HB2 SER A 215 10.290 2.829 -7.501 1.00 3.42 H new ATOM 0 HB3 SER A 215 10.219 1.253 -8.262 1.00 3.42 H new ATOM 0 HG SER A 215 11.021 2.888 -9.702 1.00 24.13 H new ATOM 1123 N TRP A 216 7.256 0.129 -8.814 1.00 54.12 N ATOM 1124 CA TRP A 216 6.535 -0.730 -9.764 1.00 15.24 C ATOM 1125 C TRP A 216 5.027 -0.436 -9.751 1.00 22.12 C ATOM 1126 O TRP A 216 4.281 -0.907 -10.611 1.00 50.34 O ATOM 1127 CB TRP A 216 6.777 -2.207 -9.419 1.00 63.15 C ATOM 1128 CG TRP A 216 8.220 -2.617 -9.509 1.00 31.22 C ATOM 1129 CD1 TRP A 216 9.275 -2.052 -8.853 1.00 50.20 C ATOM 1130 CD2 TRP A 216 8.763 -3.690 -10.290 1.00 61.11 C ATOM 1131 NE1 TRP A 216 10.438 -2.698 -9.184 1.00 72.11 N ATOM 1132 CE2 TRP A 216 10.151 -3.710 -10.061 1.00 22.44 C ATOM 1133 CE3 TRP A 216 8.210 -4.636 -11.157 1.00 42.54 C ATOM 1134 CZ2 TRP A 216 10.993 -4.632 -10.671 1.00 64.30 C ATOM 1135 CZ3 TRP A 216 9.045 -5.554 -11.763 1.00 53.24 C ATOM 1136 CH2 TRP A 216 10.425 -5.548 -11.515 1.00 24.11 C ATOM 0 H TRP A 216 7.481 -0.324 -7.928 1.00 54.12 H new ATOM 0 HA TRP A 216 6.914 -0.519 -10.764 1.00 15.24 H new ATOM 0 HB2 TRP A 216 6.416 -2.399 -8.409 1.00 63.15 H new ATOM 0 HB3 TRP A 216 6.188 -2.830 -10.092 1.00 63.15 H new ATOM 0 HD1 TRP A 216 9.204 -1.217 -8.172 1.00 50.20 H new ATOM 0 HE1 TRP A 216 11.367 -2.463 -8.834 1.00 72.11 H new ATOM 0 HE3 TRP A 216 7.147 -4.649 -11.350 1.00 42.54 H new ATOM 0 HZ2 TRP A 216 12.057 -4.626 -10.486 1.00 64.30 H new ATOM 0 HZ3 TRP A 216 8.629 -6.287 -12.438 1.00 53.24 H new ATOM 0 HH2 TRP A 216 11.053 -6.281 -12.000 1.00 24.11 H new ATOM 1147 N LEU A 217 4.589 0.350 -8.769 1.00 11.53 N ATOM 1148 CA LEU A 217 3.164 0.649 -8.577 1.00 65.43 C ATOM 1149 C LEU A 217 2.848 2.124 -8.888 1.00 3.15 C ATOM 1150 O LEU A 217 1.777 2.631 -8.542 1.00 63.00 O ATOM 1151 CB LEU A 217 2.775 0.317 -7.129 1.00 14.04 C ATOM 1152 CG LEU A 217 3.176 -1.095 -6.660 1.00 30.44 C ATOM 1153 CD1 LEU A 217 2.828 -1.306 -5.191 1.00 24.21 C ATOM 1154 CD2 LEU A 217 2.517 -2.165 -7.530 1.00 12.44 C ATOM 0 H LEU A 217 5.203 0.796 -8.087 1.00 11.53 H new ATOM 0 HA LEU A 217 2.584 0.039 -9.269 1.00 65.43 H new ATOM 0 HB2 LEU A 217 3.236 1.049 -6.467 1.00 14.04 H new ATOM 0 HB3 LEU A 217 1.696 0.427 -7.023 1.00 14.04 H new ATOM 0 HG LEU A 217 4.257 -1.186 -6.766 1.00 30.44 H new ATOM 0 HD11 LEU A 217 3.122 -2.311 -4.888 1.00 24.21 H new ATOM 0 HD12 LEU A 217 3.358 -0.574 -4.583 1.00 24.21 H new ATOM 0 HD13 LEU A 217 1.754 -1.185 -5.050 1.00 24.21 H new ATOM 0 HD21 LEU A 217 2.815 -3.153 -7.180 1.00 12.44 H new ATOM 0 HD22 LEU A 217 1.433 -2.069 -7.466 1.00 12.44 H new ATOM 0 HD23 LEU A 217 2.832 -2.037 -8.566 1.00 12.44 H new ATOM 1166 N THR A 218 3.781 2.796 -9.556 1.00 63.41 N ATOM 1167 CA THR A 218 3.645 4.222 -9.886 1.00 50.03 C ATOM 1168 C THR A 218 2.361 4.519 -10.682 1.00 0.20 C ATOM 1169 O THR A 218 2.097 3.901 -11.715 1.00 13.43 O ATOM 1170 CB THR A 218 4.865 4.723 -10.699 1.00 74.24 C ATOM 1171 OG1 THR A 218 6.075 4.497 -9.957 1.00 54.21 O ATOM 1172 CG2 THR A 218 4.738 6.208 -11.029 1.00 64.33 C ATOM 0 H THR A 218 4.650 2.376 -9.885 1.00 63.41 H new ATOM 0 HA THR A 218 3.591 4.751 -8.934 1.00 50.03 H new ATOM 0 HB THR A 218 4.898 4.165 -11.635 1.00 74.24 H new ATOM 0 HG1 THR A 218 6.394 3.585 -10.122 1.00 54.21 H new ATOM 0 HG21 THR A 218 5.609 6.530 -11.600 1.00 64.33 H new ATOM 0 HG22 THR A 218 3.836 6.374 -11.619 1.00 64.33 H new ATOM 0 HG23 THR A 218 4.678 6.782 -10.105 1.00 64.33 H new ATOM 1180 N GLY A 219 1.561 5.466 -10.185 1.00 12.34 N ATOM 1181 CA GLY A 219 0.354 5.889 -10.893 1.00 61.21 C ATOM 1182 C GLY A 219 -0.853 4.981 -10.665 1.00 73.02 C ATOM 1183 O GLY A 219 -1.870 5.117 -11.346 1.00 23.24 O ATOM 0 H GLY A 219 1.727 5.950 -9.302 1.00 12.34 H new ATOM 0 HA2 GLY A 219 0.098 6.901 -10.580 1.00 61.21 H new ATOM 0 HA3 GLY A 219 0.568 5.930 -11.961 1.00 61.21 H new ATOM 1187 N GLU A 220 -0.745 4.056 -9.713 1.00 61.23 N ATOM 1188 CA GLU A 220 -1.845 3.132 -9.391 1.00 14.45 C ATOM 1189 C GLU A 220 -2.503 3.485 -8.049 1.00 43.45 C ATOM 1190 O GLU A 220 -2.020 4.349 -7.308 1.00 32.24 O ATOM 1191 CB GLU A 220 -1.317 1.690 -9.327 1.00 51.21 C ATOM 1192 CG GLU A 220 -0.686 1.188 -10.622 1.00 24.21 C ATOM 1193 CD GLU A 220 -1.696 0.974 -11.743 1.00 31.25 C ATOM 1194 OE1 GLU A 220 -2.501 0.023 -11.650 1.00 51.51 O ATOM 1195 OE2 GLU A 220 -1.668 1.734 -12.734 1.00 23.10 O ATOM 0 H GLU A 220 0.093 3.922 -9.147 1.00 61.23 H new ATOM 0 HA GLU A 220 -2.593 3.223 -10.178 1.00 14.45 H new ATOM 0 HB2 GLU A 220 -0.579 1.622 -8.528 1.00 51.21 H new ATOM 0 HB3 GLU A 220 -2.139 1.027 -9.058 1.00 51.21 H new ATOM 0 HG2 GLU A 220 0.066 1.904 -10.952 1.00 24.21 H new ATOM 0 HG3 GLU A 220 -0.168 0.249 -10.425 1.00 24.21 H new ATOM 1202 N GLU A 221 -3.617 2.814 -7.744 1.00 71.33 N ATOM 1203 CA GLU A 221 -4.258 2.928 -6.428 1.00 23.43 C ATOM 1204 C GLU A 221 -4.123 1.615 -5.637 1.00 11.34 C ATOM 1205 O GLU A 221 -4.584 0.561 -6.080 1.00 24.11 O ATOM 1206 CB GLU A 221 -5.749 3.292 -6.553 1.00 34.00 C ATOM 1207 CG GLU A 221 -6.024 4.685 -7.121 1.00 20.31 C ATOM 1208 CD GLU A 221 -5.843 4.767 -8.626 1.00 43.42 C ATOM 1209 OE1 GLU A 221 -6.668 4.173 -9.353 1.00 33.42 O ATOM 1210 OE2 GLU A 221 -4.897 5.437 -9.089 1.00 21.13 O ATOM 0 H GLU A 221 -4.095 2.186 -8.390 1.00 71.33 H new ATOM 0 HA GLU A 221 -3.746 3.729 -5.894 1.00 23.43 H new ATOM 0 HB2 GLU A 221 -6.237 2.553 -7.189 1.00 34.00 H new ATOM 0 HB3 GLU A 221 -6.210 3.219 -5.568 1.00 34.00 H new ATOM 0 HG2 GLU A 221 -7.043 4.978 -6.868 1.00 20.31 H new ATOM 0 HG3 GLU A 221 -5.358 5.403 -6.642 1.00 20.31 H new ATOM 1217 N LEU A 222 -3.500 1.685 -4.464 1.00 60.31 N ATOM 1218 CA LEU A 222 -3.311 0.505 -3.612 1.00 14.11 C ATOM 1219 C LEU A 222 -4.436 0.382 -2.578 1.00 13.04 C ATOM 1220 O LEU A 222 -4.612 1.252 -1.732 1.00 1.41 O ATOM 1221 CB LEU A 222 -1.957 0.577 -2.890 1.00 21.41 C ATOM 1222 CG LEU A 222 -0.725 0.643 -3.807 1.00 14.22 C ATOM 1223 CD1 LEU A 222 0.563 0.661 -2.984 1.00 53.32 C ATOM 1224 CD2 LEU A 222 -0.724 -0.516 -4.800 1.00 4.34 C ATOM 0 H LEU A 222 -3.115 2.547 -4.077 1.00 60.31 H new ATOM 0 HA LEU A 222 -3.332 -0.374 -4.256 1.00 14.11 H new ATOM 0 HB2 LEU A 222 -1.955 1.454 -2.243 1.00 21.41 H new ATOM 0 HB3 LEU A 222 -1.862 -0.296 -2.244 1.00 21.41 H new ATOM 0 HG LEU A 222 -0.774 1.572 -4.376 1.00 14.22 H new ATOM 0 HD11 LEU A 222 1.422 0.708 -3.653 1.00 53.32 H new ATOM 0 HD12 LEU A 222 0.565 1.533 -2.330 1.00 53.32 H new ATOM 0 HD13 LEU A 222 0.622 -0.245 -2.381 1.00 53.32 H new ATOM 0 HD21 LEU A 222 0.157 -0.448 -5.438 1.00 4.34 H new ATOM 0 HD22 LEU A 222 -0.706 -1.461 -4.257 1.00 4.34 H new ATOM 0 HD23 LEU A 222 -1.622 -0.468 -5.416 1.00 4.34 H new ATOM 1236 N HIS A 223 -5.198 -0.701 -2.655 1.00 51.25 N ATOM 1237 CA HIS A 223 -6.265 -0.968 -1.687 1.00 12.05 C ATOM 1238 C HIS A 223 -5.752 -1.872 -0.558 1.00 45.51 C ATOM 1239 O HIS A 223 -5.320 -2.997 -0.809 1.00 65.32 O ATOM 1240 CB HIS A 223 -7.459 -1.635 -2.385 1.00 50.51 C ATOM 1241 CG HIS A 223 -8.131 -0.773 -3.413 1.00 62.41 C ATOM 1242 ND1 HIS A 223 -9.439 -0.360 -3.306 1.00 64.05 N ATOM 1243 CD2 HIS A 223 -7.676 -0.262 -4.583 1.00 32.20 C ATOM 1244 CE1 HIS A 223 -9.762 0.363 -4.358 1.00 43.52 C ATOM 1245 NE2 HIS A 223 -8.712 0.439 -5.149 1.00 61.21 N ATOM 0 H HIS A 223 -5.100 -1.413 -3.378 1.00 51.25 H new ATOM 0 HA HIS A 223 -6.587 -0.019 -1.259 1.00 12.05 H new ATOM 0 HB2 HIS A 223 -7.119 -2.553 -2.864 1.00 50.51 H new ATOM 0 HB3 HIS A 223 -8.193 -1.921 -1.631 1.00 50.51 H new ATOM 0 HD2 HIS A 223 -6.684 -0.383 -4.993 1.00 32.20 H new ATOM 0 HE1 HIS A 223 -10.725 0.817 -4.541 1.00 43.52 H new ATOM 0 HE2 HIS A 223 -8.674 0.938 -6.038 1.00 61.21 H new ATOM 1254 N VAL A 224 -5.780 -1.376 0.678 1.00 13.30 N ATOM 1255 CA VAL A 224 -5.330 -2.164 1.832 1.00 20.11 C ATOM 1256 C VAL A 224 -6.515 -2.559 2.731 1.00 31.32 C ATOM 1257 O VAL A 224 -7.439 -1.769 2.954 1.00 12.45 O ATOM 1258 CB VAL A 224 -4.280 -1.389 2.671 1.00 2.13 C ATOM 1259 CG1 VAL A 224 -3.676 -2.285 3.753 1.00 31.23 C ATOM 1260 CG2 VAL A 224 -3.188 -0.811 1.771 1.00 72.21 C ATOM 0 H VAL A 224 -6.107 -0.438 0.909 1.00 13.30 H new ATOM 0 HA VAL A 224 -4.866 -3.069 1.439 1.00 20.11 H new ATOM 0 HB VAL A 224 -4.787 -0.560 3.165 1.00 2.13 H new ATOM 0 HG11 VAL A 224 -2.943 -1.718 4.327 1.00 31.23 H new ATOM 0 HG12 VAL A 224 -4.466 -2.635 4.418 1.00 31.23 H new ATOM 0 HG13 VAL A 224 -3.188 -3.141 3.286 1.00 31.23 H new ATOM 0 HG21 VAL A 224 -2.462 -0.272 2.380 1.00 72.21 H new ATOM 0 HG22 VAL A 224 -2.687 -1.621 1.241 1.00 72.21 H new ATOM 0 HG23 VAL A 224 -3.635 -0.128 1.049 1.00 72.21 H new ATOM 1270 N GLU A 225 -6.492 -3.790 3.235 1.00 53.40 N ATOM 1271 CA GLU A 225 -7.565 -4.298 4.097 1.00 34.23 C ATOM 1272 C GLU A 225 -7.009 -5.200 5.211 1.00 45.24 C ATOM 1273 O GLU A 225 -5.837 -5.567 5.194 1.00 51.23 O ATOM 1274 CB GLU A 225 -8.599 -5.053 3.246 1.00 44.22 C ATOM 1275 CG GLU A 225 -8.043 -6.267 2.497 1.00 0.54 C ATOM 1276 CD GLU A 225 -8.296 -7.582 3.215 1.00 34.35 C ATOM 1277 OE1 GLU A 225 -9.481 -7.923 3.422 1.00 62.14 O ATOM 1278 OE2 GLU A 225 -7.328 -8.296 3.544 1.00 65.41 O ATOM 0 H GLU A 225 -5.741 -4.459 3.063 1.00 53.40 H new ATOM 0 HA GLU A 225 -8.052 -3.451 4.580 1.00 34.23 H new ATOM 0 HB2 GLU A 225 -9.412 -5.383 3.893 1.00 44.22 H new ATOM 0 HB3 GLU A 225 -9.029 -4.361 2.522 1.00 44.22 H new ATOM 0 HG2 GLU A 225 -8.492 -6.310 1.505 1.00 0.54 H new ATOM 0 HG3 GLU A 225 -6.970 -6.138 2.356 1.00 0.54 H new ATOM 1285 N VAL A 226 -7.860 -5.561 6.170 1.00 3.34 N ATOM 1286 CA VAL A 226 -7.430 -6.343 7.340 1.00 53.24 C ATOM 1287 C VAL A 226 -7.599 -7.853 7.106 1.00 73.21 C ATOM 1288 O VAL A 226 -8.682 -8.320 6.745 1.00 11.03 O ATOM 1289 CB VAL A 226 -8.217 -5.927 8.611 1.00 52.23 C ATOM 1290 CG1 VAL A 226 -7.740 -6.713 9.831 1.00 35.23 C ATOM 1291 CG2 VAL A 226 -8.090 -4.421 8.853 1.00 73.03 C ATOM 0 H VAL A 226 -8.853 -5.327 6.165 1.00 3.34 H new ATOM 0 HA VAL A 226 -6.371 -6.130 7.489 1.00 53.24 H new ATOM 0 HB VAL A 226 -9.269 -6.162 8.451 1.00 52.23 H new ATOM 0 HG11 VAL A 226 -8.307 -6.403 10.708 1.00 35.23 H new ATOM 0 HG12 VAL A 226 -7.891 -7.779 9.659 1.00 35.23 H new ATOM 0 HG13 VAL A 226 -6.680 -6.519 9.997 1.00 35.23 H new ATOM 0 HG21 VAL A 226 -8.648 -4.148 9.748 1.00 73.03 H new ATOM 0 HG22 VAL A 226 -7.040 -4.161 8.987 1.00 73.03 H new ATOM 0 HG23 VAL A 226 -8.491 -3.880 7.996 1.00 73.03 H new ATOM 1301 N LEU A 227 -6.522 -8.606 7.321 1.00 75.13 N ATOM 1302 CA LEU A 227 -6.537 -10.063 7.150 1.00 70.13 C ATOM 1303 C LEU A 227 -7.441 -10.754 8.182 1.00 71.30 C ATOM 1304 O LEU A 227 -8.225 -11.641 7.839 1.00 53.21 O ATOM 1305 CB LEU A 227 -5.110 -10.630 7.250 1.00 30.45 C ATOM 1306 CG LEU A 227 -4.175 -10.272 6.083 1.00 0.04 C ATOM 1307 CD1 LEU A 227 -2.759 -10.783 6.339 1.00 24.34 C ATOM 1308 CD2 LEU A 227 -4.717 -10.835 4.771 1.00 65.24 C ATOM 0 H LEU A 227 -5.621 -8.231 7.616 1.00 75.13 H new ATOM 0 HA LEU A 227 -6.942 -10.266 6.159 1.00 70.13 H new ATOM 0 HB2 LEU A 227 -4.660 -10.274 8.177 1.00 30.45 H new ATOM 0 HB3 LEU A 227 -5.173 -11.716 7.323 1.00 30.45 H new ATOM 0 HG LEU A 227 -4.134 -9.186 6.005 1.00 0.04 H new ATOM 0 HD11 LEU A 227 -2.118 -10.516 5.498 1.00 24.34 H new ATOM 0 HD12 LEU A 227 -2.368 -10.331 7.251 1.00 24.34 H new ATOM 0 HD13 LEU A 227 -2.778 -11.867 6.451 1.00 24.34 H new ATOM 0 HD21 LEU A 227 -4.043 -10.572 3.956 1.00 65.24 H new ATOM 0 HD22 LEU A 227 -4.792 -11.920 4.844 1.00 65.24 H new ATOM 0 HD23 LEU A 227 -5.704 -10.415 4.575 1.00 65.24 H new