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 Set 1.1: A 194 CYS SG : rot -42:sc= -0.428 USER MOD Set 1.2: A 195 CYS SG : rot -0:sc= -3.34 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 164 LYS NZ :NH3+ -169:sc=-0.00193 (180deg=-0.125) USER MOD Single : A 165 GLN : amide:sc= 0.0504 K(o=0.05,f=-0.49) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ -160:sc= -1.01! (180deg=-2.7!) USER MOD Single : A 183 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0658) USER MOD Single : A 186 MET CE :methyl -140:sc= -0.107 (180deg=-0.616) USER MOD Single : A 187 MET CE :methyl 140:sc= -0.14 (180deg=-2.37!) USER MOD Single : A 198 TYR OH : rot -22:sc= 0.892 USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 82:sc= 0.595 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 223 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.637 14.830 -8.170 1.00 41.42 N ATOM 115 CA LYS A 154 7.169 13.461 -8.178 1.00 12.10 C ATOM 116 C LYS A 154 6.058 12.395 -8.201 1.00 43.42 C ATOM 117 O LYS A 154 4.935 12.650 -7.761 1.00 14.41 O ATOM 118 CB LYS A 154 8.084 13.273 -6.958 1.00 51.34 C ATOM 119 CG LYS A 154 9.265 14.241 -6.944 1.00 73.14 C ATOM 120 CD LYS A 154 10.156 14.057 -5.719 1.00 72.30 C ATOM 121 CE LYS A 154 11.355 15.003 -5.751 1.00 42.35 C ATOM 122 NZ LYS A 154 12.242 14.831 -4.570 1.00 52.10 N ATOM 0 HA LYS A 154 7.740 13.324 -9.096 1.00 12.10 H new ATOM 0 HB2 LYS A 154 7.500 13.408 -6.048 1.00 51.34 H new ATOM 0 HB3 LYS A 154 8.460 12.250 -6.947 1.00 51.34 H new ATOM 0 HG2 LYS A 154 9.859 14.097 -7.846 1.00 73.14 H new ATOM 0 HG3 LYS A 154 8.892 15.265 -6.968 1.00 73.14 H new ATOM 0 HD2 LYS A 154 9.574 14.236 -4.815 1.00 72.30 H new ATOM 0 HD3 LYS A 154 10.506 13.026 -5.674 1.00 72.30 H new ATOM 0 HE2 LYS A 154 11.928 14.829 -6.661 1.00 42.35 H new ATOM 0 HE3 LYS A 154 11.001 16.033 -5.790 1.00 42.35 H new ATOM 0 HZ1 LYS A 154 13.041 15.494 -4.636 1.00 52.10 H new ATOM 0 HZ2 LYS A 154 11.704 15.023 -3.701 1.00 52.10 H new ATOM 0 HZ3 LYS A 154 12.602 13.856 -4.546 1.00 52.10 H new ATOM 136 N PRO A 155 6.361 11.186 -8.731 1.00 1.14 N ATOM 137 CA PRO A 155 5.382 10.082 -8.828 1.00 24.33 C ATOM 138 C PRO A 155 4.816 9.654 -7.460 1.00 34.30 C ATOM 139 O PRO A 155 5.557 9.511 -6.481 1.00 40.30 O ATOM 140 CB PRO A 155 6.188 8.936 -9.468 1.00 51.15 C ATOM 141 CG PRO A 155 7.621 9.294 -9.248 1.00 4.32 C ATOM 142 CD PRO A 155 7.673 10.795 -9.286 1.00 14.21 C ATOM 0 HA PRO A 155 4.505 10.377 -9.404 1.00 24.33 H new ATOM 0 HB2 PRO A 155 5.946 7.979 -9.006 1.00 51.15 H new ATOM 0 HB3 PRO A 155 5.964 8.843 -10.531 1.00 51.15 H new ATOM 0 HG2 PRO A 155 7.978 8.914 -8.291 1.00 4.32 H new ATOM 0 HG3 PRO A 155 8.256 8.860 -10.020 1.00 4.32 H new ATOM 0 HD2 PRO A 155 8.497 11.186 -8.689 1.00 14.21 H new ATOM 0 HD3 PRO A 155 7.810 11.169 -10.301 1.00 14.21 H new ATOM 150 N ILE A 156 3.498 9.436 -7.405 1.00 54.12 N ATOM 151 CA ILE A 156 2.810 9.103 -6.147 1.00 2.33 C ATOM 152 C ILE A 156 2.025 7.783 -6.235 1.00 31.21 C ATOM 153 O ILE A 156 1.735 7.278 -7.322 1.00 73.14 O ATOM 154 CB ILE A 156 1.819 10.221 -5.727 1.00 23.34 C ATOM 155 CG1 ILE A 156 0.713 10.387 -6.790 1.00 52.12 C ATOM 156 CG2 ILE A 156 2.555 11.543 -5.499 1.00 53.23 C ATOM 157 CD1 ILE A 156 -0.433 11.279 -6.356 1.00 3.41 C ATOM 0 H ILE A 156 2.883 9.484 -8.217 1.00 54.12 H new ATOM 0 HA ILE A 156 3.600 9.000 -5.403 1.00 2.33 H new ATOM 0 HB ILE A 156 1.352 9.930 -4.786 1.00 23.34 H new ATOM 0 HG12 ILE A 156 1.155 10.797 -7.698 1.00 52.12 H new ATOM 0 HG13 ILE A 156 0.318 9.404 -7.044 1.00 52.12 H new ATOM 0 HG21 ILE A 156 1.840 12.312 -5.206 1.00 53.23 H new ATOM 0 HG22 ILE A 156 3.295 11.416 -4.709 1.00 53.23 H new ATOM 0 HG23 ILE A 156 3.055 11.845 -6.420 1.00 53.23 H new ATOM 0 HD11 ILE A 156 -1.168 11.344 -7.159 1.00 3.41 H new ATOM 0 HD12 ILE A 156 -0.903 10.860 -5.467 1.00 3.41 H new ATOM 0 HD13 ILE A 156 -0.053 12.275 -6.130 1.00 3.41 H new ATOM 169 N VAL A 157 1.683 7.239 -5.068 1.00 34.13 N ATOM 170 CA VAL A 157 0.813 6.063 -4.958 1.00 32.02 C ATOM 171 C VAL A 157 -0.299 6.330 -3.927 1.00 73.24 C ATOM 172 O VAL A 157 -0.027 6.783 -2.812 1.00 24.13 O ATOM 173 CB VAL A 157 1.608 4.800 -4.535 1.00 42.21 C ATOM 174 CG1 VAL A 157 0.699 3.575 -4.501 1.00 41.41 C ATOM 175 CG2 VAL A 157 2.801 4.565 -5.463 1.00 15.14 C ATOM 0 H VAL A 157 2.001 7.600 -4.169 1.00 34.13 H new ATOM 0 HA VAL A 157 0.379 5.881 -5.941 1.00 32.02 H new ATOM 0 HB VAL A 157 1.993 4.967 -3.529 1.00 42.21 H new ATOM 0 HG11 VAL A 157 1.277 2.701 -4.202 1.00 41.41 H new ATOM 0 HG12 VAL A 157 -0.106 3.739 -3.785 1.00 41.41 H new ATOM 0 HG13 VAL A 157 0.276 3.408 -5.492 1.00 41.41 H new ATOM 0 HG21 VAL A 157 3.340 3.673 -5.143 1.00 15.14 H new ATOM 0 HG22 VAL A 157 2.446 4.428 -6.484 1.00 15.14 H new ATOM 0 HG23 VAL A 157 3.468 5.426 -5.423 1.00 15.14 H new ATOM 185 N ARG A 158 -1.548 6.059 -4.302 1.00 62.22 N ATOM 186 CA ARG A 158 -2.700 6.388 -3.450 1.00 53.44 C ATOM 187 C ARG A 158 -3.185 5.164 -2.657 1.00 52.43 C ATOM 188 O ARG A 158 -3.885 4.303 -3.187 1.00 13.33 O ATOM 189 CB ARG A 158 -3.839 6.947 -4.314 1.00 30.01 C ATOM 190 CG ARG A 158 -3.373 8.003 -5.313 1.00 11.01 C ATOM 191 CD ARG A 158 -4.525 8.556 -6.145 1.00 22.44 C ATOM 192 NE ARG A 158 -4.047 9.343 -7.278 1.00 71.31 N ATOM 193 CZ ARG A 158 -3.898 10.638 -7.276 1.00 63.02 C ATOM 194 NH1 ARG A 158 -4.174 11.338 -6.221 1.00 32.32 N ATOM 195 NH2 ARG A 158 -3.471 11.233 -8.339 1.00 1.13 N ATOM 0 H ARG A 158 -1.792 5.614 -5.187 1.00 62.22 H new ATOM 0 HA ARG A 158 -2.385 7.143 -2.729 1.00 53.44 H new ATOM 0 HB2 ARG A 158 -4.312 6.127 -4.855 1.00 30.01 H new ATOM 0 HB3 ARG A 158 -4.600 7.381 -3.665 1.00 30.01 H new ATOM 0 HG2 ARG A 158 -2.889 8.820 -4.777 1.00 11.01 H new ATOM 0 HG3 ARG A 158 -2.624 7.569 -5.975 1.00 11.01 H new ATOM 0 HD2 ARG A 158 -5.139 7.732 -6.508 1.00 22.44 H new ATOM 0 HD3 ARG A 158 -5.163 9.176 -5.515 1.00 22.44 H new ATOM 0 HE ARG A 158 -3.812 8.842 -8.135 1.00 71.31 H new ATOM 0 HH11 ARG A 158 -4.513 10.876 -5.377 1.00 32.32 H new ATOM 0 HH12 ARG A 158 -4.052 12.351 -6.235 1.00 32.32 H new ATOM 0 HH21 ARG A 158 -3.252 10.690 -9.174 1.00 1.13 H new ATOM 0 HH22 ARG A 158 -3.352 12.246 -8.344 1.00 1.13 H new ATOM 209 N VAL A 159 -2.813 5.098 -1.383 1.00 3.32 N ATOM 210 CA VAL A 159 -3.144 3.949 -0.531 1.00 13.11 C ATOM 211 C VAL A 159 -4.410 4.201 0.310 1.00 44.34 C ATOM 212 O VAL A 159 -4.445 5.105 1.146 1.00 64.40 O ATOM 213 CB VAL A 159 -1.968 3.616 0.423 1.00 51.52 C ATOM 214 CG1 VAL A 159 -2.263 2.360 1.240 1.00 52.44 C ATOM 215 CG2 VAL A 159 -0.662 3.467 -0.356 1.00 10.41 C ATOM 0 H VAL A 159 -2.279 5.828 -0.911 1.00 3.32 H new ATOM 0 HA VAL A 159 -3.330 3.108 -1.199 1.00 13.11 H new ATOM 0 HB VAL A 159 -1.854 4.447 1.119 1.00 51.52 H new ATOM 0 HG11 VAL A 159 -1.422 2.150 1.900 1.00 52.44 H new ATOM 0 HG12 VAL A 159 -3.162 2.517 1.836 1.00 52.44 H new ATOM 0 HG13 VAL A 159 -2.416 1.516 0.567 1.00 52.44 H new ATOM 0 HG21 VAL A 159 0.149 3.234 0.334 1.00 10.41 H new ATOM 0 HG22 VAL A 159 -0.762 2.662 -1.084 1.00 10.41 H new ATOM 0 HG23 VAL A 159 -0.440 4.399 -0.875 1.00 10.41 H new ATOM 225 N PHE A 160 -5.448 3.395 0.086 1.00 12.35 N ATOM 226 CA PHE A 160 -6.685 3.475 0.875 1.00 1.12 C ATOM 227 C PHE A 160 -6.636 2.525 2.084 1.00 63.21 C ATOM 228 O PHE A 160 -6.558 1.305 1.929 1.00 5.51 O ATOM 229 CB PHE A 160 -7.906 3.143 0.002 1.00 74.52 C ATOM 230 CG PHE A 160 -8.195 4.180 -1.053 1.00 44.13 C ATOM 231 CD1 PHE A 160 -7.608 4.101 -2.306 1.00 32.41 C ATOM 232 CD2 PHE A 160 -9.052 5.237 -0.783 1.00 11.45 C ATOM 233 CE1 PHE A 160 -7.871 5.054 -3.270 1.00 62.44 C ATOM 234 CE2 PHE A 160 -9.316 6.193 -1.745 1.00 2.44 C ATOM 235 CZ PHE A 160 -8.725 6.102 -2.991 1.00 44.21 C ATOM 0 H PHE A 160 -5.460 2.676 -0.637 1.00 12.35 H new ATOM 0 HA PHE A 160 -6.776 4.497 1.242 1.00 1.12 H new ATOM 0 HB2 PHE A 160 -7.745 2.180 -0.482 1.00 74.52 H new ATOM 0 HB3 PHE A 160 -8.781 3.035 0.643 1.00 74.52 H new ATOM 0 HD1 PHE A 160 -6.937 3.285 -2.531 1.00 32.41 H new ATOM 0 HD2 PHE A 160 -9.517 5.313 0.189 1.00 11.45 H new ATOM 0 HE1 PHE A 160 -7.408 4.979 -4.243 1.00 62.44 H new ATOM 0 HE2 PHE A 160 -9.984 7.012 -1.523 1.00 2.44 H new ATOM 0 HZ PHE A 160 -8.931 6.848 -3.744 1.00 44.21 H new ATOM 245 N LEU A 161 -6.698 3.095 3.283 1.00 42.33 N ATOM 246 CA LEU A 161 -6.605 2.323 4.527 1.00 3.33 C ATOM 247 C LEU A 161 -8.001 2.025 5.111 1.00 0.12 C ATOM 248 O LEU A 161 -8.982 2.692 4.772 1.00 1.32 O ATOM 249 CB LEU A 161 -5.764 3.107 5.550 1.00 71.12 C ATOM 250 CG LEU A 161 -4.322 3.424 5.113 1.00 61.32 C ATOM 251 CD1 LEU A 161 -3.620 4.288 6.158 1.00 15.02 C ATOM 252 CD2 LEU A 161 -3.534 2.138 4.860 1.00 72.12 C ATOM 0 H LEU A 161 -6.813 4.099 3.425 1.00 42.33 H new ATOM 0 HA LEU A 161 -6.127 1.369 4.306 1.00 3.33 H new ATOM 0 HB2 LEU A 161 -6.273 4.045 5.771 1.00 71.12 H new ATOM 0 HB3 LEU A 161 -5.728 2.537 6.478 1.00 71.12 H new ATOM 0 HG LEU A 161 -4.367 3.984 4.179 1.00 61.32 H new ATOM 0 HD11 LEU A 161 -2.602 4.501 5.830 1.00 15.02 H new ATOM 0 HD12 LEU A 161 -4.165 5.224 6.282 1.00 15.02 H new ATOM 0 HD13 LEU A 161 -3.591 3.757 7.109 1.00 15.02 H new ATOM 0 HD21 LEU A 161 -2.519 2.388 4.553 1.00 72.12 H new ATOM 0 HD22 LEU A 161 -3.501 1.546 5.774 1.00 72.12 H new ATOM 0 HD23 LEU A 161 -4.020 1.562 4.072 1.00 72.12 H new ATOM 264 N PRO A 162 -8.113 1.010 5.993 1.00 2.11 N ATOM 265 CA PRO A 162 -9.373 0.714 6.702 1.00 42.11 C ATOM 266 C PRO A 162 -9.791 1.853 7.654 1.00 72.12 C ATOM 267 O PRO A 162 -9.045 2.817 7.848 1.00 54.21 O ATOM 268 CB PRO A 162 -9.050 -0.568 7.488 1.00 30.13 C ATOM 269 CG PRO A 162 -7.562 -0.569 7.622 1.00 51.54 C ATOM 270 CD PRO A 162 -7.037 0.070 6.365 1.00 11.43 C ATOM 0 HA PRO A 162 -10.213 0.602 6.016 1.00 42.11 H new ATOM 0 HB2 PRO A 162 -9.535 -0.566 8.464 1.00 30.13 H new ATOM 0 HB3 PRO A 162 -9.400 -1.455 6.960 1.00 30.13 H new ATOM 0 HG2 PRO A 162 -7.248 -0.011 8.505 1.00 51.54 H new ATOM 0 HG3 PRO A 162 -7.180 -1.584 7.734 1.00 51.54 H new ATOM 0 HD2 PRO A 162 -6.093 0.586 6.539 1.00 11.43 H new ATOM 0 HD3 PRO A 162 -6.857 -0.667 5.583 1.00 11.43 H new ATOM 278 N ASN A 163 -10.992 1.739 8.231 1.00 73.24 N ATOM 279 CA ASN A 163 -11.523 2.758 9.153 1.00 55.21 C ATOM 280 C ASN A 163 -11.748 4.106 8.444 1.00 2.44 C ATOM 281 O ASN A 163 -11.706 5.171 9.072 1.00 41.31 O ATOM 282 CB ASN A 163 -10.587 2.927 10.361 1.00 0.44 C ATOM 283 CG ASN A 163 -10.506 1.670 11.209 1.00 50.11 C ATOM 284 OD1 ASN A 163 -11.472 0.921 11.323 1.00 70.14 O ATOM 285 ND2 ASN A 163 -9.357 1.423 11.805 1.00 54.43 N ATOM 0 H ASN A 163 -11.619 0.950 8.077 1.00 73.24 H new ATOM 0 HA ASN A 163 -12.494 2.412 9.508 1.00 55.21 H new ATOM 0 HB2 ASN A 163 -9.589 3.191 10.010 1.00 0.44 H new ATOM 0 HB3 ASN A 163 -10.938 3.755 10.976 1.00 0.44 H new ATOM 0 HD21 ASN A 163 -9.251 0.589 12.382 1.00 54.43 H new ATOM 0 HD22 ASN A 163 -8.574 2.066 11.689 1.00 54.43 H new ATOM 292 N LYS A 164 -12.016 4.040 7.136 1.00 44.54 N ATOM 293 CA LYS A 164 -12.298 5.227 6.311 1.00 12.31 C ATOM 294 C LYS A 164 -11.083 6.172 6.226 1.00 32.44 C ATOM 295 O LYS A 164 -11.234 7.393 6.146 1.00 51.41 O ATOM 296 CB LYS A 164 -13.530 5.979 6.849 1.00 13.31 C ATOM 297 CG LYS A 164 -14.804 5.135 6.900 1.00 52.24 C ATOM 298 CD LYS A 164 -15.219 4.640 5.515 1.00 71.21 C ATOM 299 CE LYS A 164 -16.503 3.818 5.569 1.00 60.45 C ATOM 300 NZ LYS A 164 -16.350 2.589 6.394 1.00 41.22 N ATOM 0 H LYS A 164 -12.044 3.163 6.616 1.00 44.54 H new ATOM 0 HA LYS A 164 -12.511 4.878 5.301 1.00 12.31 H new ATOM 0 HB2 LYS A 164 -13.309 6.345 7.852 1.00 13.31 H new ATOM 0 HB3 LYS A 164 -13.711 6.853 6.223 1.00 13.31 H new ATOM 0 HG2 LYS A 164 -14.647 4.281 7.558 1.00 52.24 H new ATOM 0 HG3 LYS A 164 -15.613 5.725 7.331 1.00 52.24 H new ATOM 0 HD2 LYS A 164 -15.361 5.493 4.852 1.00 71.21 H new ATOM 0 HD3 LYS A 164 -14.418 4.035 5.090 1.00 71.21 H new ATOM 0 HE2 LYS A 164 -17.307 4.430 5.978 1.00 60.45 H new ATOM 0 HE3 LYS A 164 -16.797 3.540 4.557 1.00 60.45 H new ATOM 0 HZ1 LYS A 164 -17.175 1.972 6.254 1.00 41.22 H new ATOM 0 HZ2 LYS A 164 -15.487 2.084 6.108 1.00 41.22 H new ATOM 0 HZ3 LYS A 164 -16.281 2.851 7.398 1.00 41.22 H new ATOM 314 N GLN A 165 -9.880 5.602 6.209 1.00 4.00 N ATOM 315 CA GLN A 165 -8.646 6.396 6.141 1.00 12.31 C ATOM 316 C GLN A 165 -7.946 6.233 4.781 1.00 33.33 C ATOM 317 O GLN A 165 -8.204 5.282 4.046 1.00 62.21 O ATOM 318 CB GLN A 165 -7.702 5.989 7.284 1.00 12.00 C ATOM 319 CG GLN A 165 -8.352 6.071 8.663 1.00 74.33 C ATOM 320 CD GLN A 165 -8.822 7.476 9.018 1.00 72.43 C ATOM 321 OE1 GLN A 165 -8.213 8.471 8.632 1.00 53.43 O ATOM 322 NE2 GLN A 165 -9.926 7.569 9.729 1.00 5.52 N ATOM 0 H GLN A 165 -9.729 4.594 6.241 1.00 4.00 H new ATOM 0 HA GLN A 165 -8.910 7.448 6.250 1.00 12.31 H new ATOM 0 HB2 GLN A 165 -7.355 4.970 7.114 1.00 12.00 H new ATOM 0 HB3 GLN A 165 -6.822 6.632 7.266 1.00 12.00 H new ATOM 0 HG2 GLN A 165 -9.202 5.390 8.699 1.00 74.33 H new ATOM 0 HG3 GLN A 165 -7.640 5.731 9.415 1.00 74.33 H new ATOM 0 HE21 GLN A 165 -10.409 6.724 10.034 1.00 5.52 H new ATOM 0 HE22 GLN A 165 -10.299 8.486 9.974 1.00 5.52 H new ATOM 331 N ARG A 166 -7.067 7.171 4.448 1.00 64.14 N ATOM 332 CA ARG A 166 -6.326 7.124 3.183 1.00 12.04 C ATOM 333 C ARG A 166 -5.022 7.928 3.274 1.00 0.41 C ATOM 334 O ARG A 166 -4.915 8.870 4.060 1.00 41.20 O ATOM 335 CB ARG A 166 -7.195 7.662 2.036 1.00 61.41 C ATOM 336 CG ARG A 166 -7.578 9.132 2.191 1.00 52.30 C ATOM 337 CD ARG A 166 -8.412 9.627 1.015 1.00 74.30 C ATOM 338 NE ARG A 166 -9.697 8.937 0.917 1.00 73.34 N ATOM 339 CZ ARG A 166 -10.504 9.034 -0.107 1.00 74.31 C ATOM 340 NH1 ARG A 166 -10.189 9.760 -1.134 1.00 15.51 N ATOM 341 NH2 ARG A 166 -11.621 8.386 -0.102 1.00 22.33 N ATOM 0 H ARG A 166 -6.846 7.976 5.034 1.00 64.14 H new ATOM 0 HA ARG A 166 -6.072 6.083 2.982 1.00 12.04 H new ATOM 0 HB2 ARG A 166 -6.660 7.533 1.095 1.00 61.41 H new ATOM 0 HB3 ARG A 166 -8.104 7.064 1.970 1.00 61.41 H new ATOM 0 HG2 ARG A 166 -8.139 9.266 3.116 1.00 52.30 H new ATOM 0 HG3 ARG A 166 -6.675 9.736 2.276 1.00 52.30 H new ATOM 0 HD2 ARG A 166 -8.584 10.698 1.120 1.00 74.30 H new ATOM 0 HD3 ARG A 166 -7.853 9.483 0.090 1.00 74.30 H new ATOM 0 HE ARG A 166 -9.982 8.343 1.696 1.00 73.34 H new ATOM 0 HH11 ARG A 166 -9.302 10.264 -1.150 1.00 15.51 H new ATOM 0 HH12 ARG A 166 -10.828 9.827 -1.926 1.00 15.51 H new ATOM 0 HH21 ARG A 166 -11.869 7.803 0.698 1.00 22.33 H new ATOM 0 HH22 ARG A 166 -12.255 8.457 -0.898 1.00 22.33 H new ATOM 355 N THR A 167 -4.037 7.553 2.461 1.00 20.54 N ATOM 356 CA THR A 167 -2.731 8.227 2.460 1.00 72.30 C ATOM 357 C THR A 167 -2.043 8.137 1.091 1.00 54.22 C ATOM 358 O THR A 167 -2.050 7.089 0.444 1.00 11.41 O ATOM 359 CB THR A 167 -1.786 7.634 3.539 1.00 50.32 C ATOM 360 OG1 THR A 167 -0.509 8.294 3.503 1.00 3.35 O ATOM 361 CG2 THR A 167 -1.588 6.133 3.345 1.00 64.44 C ATOM 0 H THR A 167 -4.114 6.786 1.793 1.00 20.54 H new ATOM 0 HA THR A 167 -2.927 9.275 2.688 1.00 72.30 H new ATOM 0 HB THR A 167 -2.254 7.797 4.510 1.00 50.32 H new ATOM 0 HG1 THR A 167 0.076 7.911 4.190 1.00 3.35 H new ATOM 0 HG21 THR A 167 -0.921 5.751 4.118 1.00 64.44 H new ATOM 0 HG22 THR A 167 -2.551 5.627 3.414 1.00 64.44 H new ATOM 0 HG23 THR A 167 -1.151 5.948 2.364 1.00 64.44 H new ATOM 369 N VAL A 168 -1.453 9.245 0.652 1.00 64.20 N ATOM 370 CA VAL A 168 -0.695 9.278 -0.604 1.00 14.52 C ATOM 371 C VAL A 168 0.816 9.302 -0.322 1.00 72.01 C ATOM 372 O VAL A 168 1.318 10.208 0.346 1.00 20.40 O ATOM 373 CB VAL A 168 -1.080 10.504 -1.474 1.00 61.15 C ATOM 374 CG1 VAL A 168 -0.251 10.543 -2.755 1.00 33.44 C ATOM 375 CG2 VAL A 168 -2.575 10.491 -1.796 1.00 42.42 C ATOM 0 H VAL A 168 -1.483 10.137 1.146 1.00 64.20 H new ATOM 0 HA VAL A 168 -0.947 8.373 -1.157 1.00 14.52 H new ATOM 0 HB VAL A 168 -0.862 11.407 -0.903 1.00 61.15 H new ATOM 0 HG11 VAL A 168 -0.539 11.411 -3.348 1.00 33.44 H new ATOM 0 HG12 VAL A 168 0.807 10.611 -2.502 1.00 33.44 H new ATOM 0 HG13 VAL A 168 -0.428 9.635 -3.331 1.00 33.44 H new ATOM 0 HG21 VAL A 168 -2.823 11.359 -2.407 1.00 42.42 H new ATOM 0 HG22 VAL A 168 -2.822 9.581 -2.342 1.00 42.42 H new ATOM 0 HG23 VAL A 168 -3.147 10.524 -0.869 1.00 42.42 H new ATOM 385 N VAL A 169 1.531 8.300 -0.827 1.00 11.13 N ATOM 386 CA VAL A 169 2.976 8.168 -0.576 1.00 2.21 C ATOM 387 C VAL A 169 3.797 8.265 -1.879 1.00 0.25 C ATOM 388 O VAL A 169 3.305 7.930 -2.955 1.00 53.11 O ATOM 389 CB VAL A 169 3.289 6.829 0.141 1.00 24.02 C ATOM 390 CG1 VAL A 169 2.736 6.838 1.566 1.00 43.53 C ATOM 391 CG2 VAL A 169 2.727 5.648 -0.651 1.00 40.33 C ATOM 0 H VAL A 169 1.139 7.564 -1.414 1.00 11.13 H new ATOM 0 HA VAL A 169 3.265 8.998 0.069 1.00 2.21 H new ATOM 0 HB VAL A 169 4.372 6.716 0.197 1.00 24.02 H new ATOM 0 HG11 VAL A 169 2.966 5.890 2.052 1.00 43.53 H new ATOM 0 HG12 VAL A 169 3.192 7.653 2.128 1.00 43.53 H new ATOM 0 HG13 VAL A 169 1.655 6.977 1.536 1.00 43.53 H new ATOM 0 HG21 VAL A 169 2.958 4.718 -0.131 1.00 40.33 H new ATOM 0 HG22 VAL A 169 1.646 5.754 -0.744 1.00 40.33 H new ATOM 0 HG23 VAL A 169 3.176 5.629 -1.644 1.00 40.33 H new ATOM 401 N PRO A 170 5.061 8.736 -1.798 1.00 24.21 N ATOM 402 CA PRO A 170 5.931 8.882 -2.980 1.00 45.34 C ATOM 403 C PRO A 170 6.462 7.538 -3.518 1.00 4.34 C ATOM 404 O PRO A 170 7.014 6.722 -2.772 1.00 52.20 O ATOM 405 CB PRO A 170 7.084 9.748 -2.456 1.00 42.23 C ATOM 406 CG PRO A 170 7.161 9.426 -1.002 1.00 14.42 C ATOM 407 CD PRO A 170 5.739 9.173 -0.559 1.00 53.10 C ATOM 0 HA PRO A 170 5.393 9.314 -3.824 1.00 45.34 H new ATOM 0 HB2 PRO A 170 8.019 9.514 -2.965 1.00 42.23 H new ATOM 0 HB3 PRO A 170 6.890 10.808 -2.618 1.00 42.23 H new ATOM 0 HG2 PRO A 170 7.786 8.550 -0.828 1.00 14.42 H new ATOM 0 HG3 PRO A 170 7.604 10.250 -0.442 1.00 14.42 H new ATOM 0 HD2 PRO A 170 5.691 8.408 0.216 1.00 53.10 H new ATOM 0 HD3 PRO A 170 5.281 10.073 -0.147 1.00 53.10 H new ATOM 415 N ALA A 171 6.298 7.320 -4.821 1.00 24.25 N ATOM 416 CA ALA A 171 6.791 6.102 -5.475 1.00 15.14 C ATOM 417 C ALA A 171 8.305 6.179 -5.743 1.00 13.54 C ATOM 418 O ALA A 171 8.765 6.984 -6.556 1.00 30.41 O ATOM 419 CB ALA A 171 6.032 5.859 -6.777 1.00 41.35 C ATOM 0 H ALA A 171 5.827 7.971 -5.449 1.00 24.25 H new ATOM 0 HA ALA A 171 6.616 5.265 -4.799 1.00 15.14 H new ATOM 0 HB1 ALA A 171 6.407 4.953 -7.253 1.00 41.35 H new ATOM 0 HB2 ALA A 171 4.970 5.744 -6.563 1.00 41.35 H new ATOM 0 HB3 ALA A 171 6.177 6.707 -7.446 1.00 41.35 H new ATOM 425 N ARG A 172 9.076 5.345 -5.044 1.00 33.33 N ATOM 426 CA ARG A 172 10.538 5.296 -5.205 1.00 0.05 C ATOM 427 C ARG A 172 11.024 3.867 -5.495 1.00 21.30 C ATOM 428 O ARG A 172 10.326 2.893 -5.208 1.00 4.42 O ATOM 429 CB ARG A 172 11.223 5.814 -3.932 1.00 74.41 C ATOM 430 CG ARG A 172 10.822 7.233 -3.548 1.00 10.21 C ATOM 431 CD ARG A 172 11.475 7.670 -2.241 1.00 32.31 C ATOM 432 NE ARG A 172 11.045 9.005 -1.833 1.00 60.45 N ATOM 433 CZ ARG A 172 11.395 9.579 -0.714 1.00 25.14 C ATOM 434 NH1 ARG A 172 12.195 8.987 0.115 1.00 24.11 N ATOM 435 NH2 ARG A 172 10.942 10.754 -0.429 1.00 12.04 N ATOM 0 H ARG A 172 8.713 4.687 -4.354 1.00 33.33 H new ATOM 0 HA ARG A 172 10.800 5.929 -6.053 1.00 0.05 H new ATOM 0 HB2 ARG A 172 10.986 5.144 -3.106 1.00 74.41 H new ATOM 0 HB3 ARG A 172 12.303 5.778 -4.072 1.00 74.41 H new ATOM 0 HG2 ARG A 172 11.107 7.920 -4.345 1.00 10.21 H new ATOM 0 HG3 ARG A 172 9.738 7.291 -3.450 1.00 10.21 H new ATOM 0 HD2 ARG A 172 11.229 6.955 -1.456 1.00 32.31 H new ATOM 0 HD3 ARG A 172 12.559 7.658 -2.356 1.00 32.31 H new ATOM 0 HE ARG A 172 10.432 9.522 -2.463 1.00 60.45 H new ATOM 0 HH11 ARG A 172 12.560 8.060 -0.103 1.00 24.11 H new ATOM 0 HH12 ARG A 172 12.460 9.448 0.986 1.00 24.11 H new ATOM 0 HH21 ARG A 172 10.314 11.229 -1.077 1.00 12.04 H new ATOM 0 HH22 ARG A 172 11.212 11.207 0.444 1.00 12.04 H new ATOM 449 N CYS A 173 12.224 3.748 -6.064 1.00 41.02 N ATOM 450 CA CYS A 173 12.843 2.433 -6.306 1.00 10.00 C ATOM 451 C CYS A 173 13.792 2.065 -5.157 1.00 71.21 C ATOM 452 O CYS A 173 14.409 2.939 -4.547 1.00 75.53 O ATOM 453 CB CYS A 173 13.606 2.427 -7.634 1.00 35.41 C ATOM 454 SG CYS A 173 14.355 0.831 -8.038 1.00 32.43 S ATOM 0 H CYS A 173 12.790 4.541 -6.367 1.00 41.02 H new ATOM 0 HA CYS A 173 12.046 1.691 -6.358 1.00 10.00 H new ATOM 0 HB2 CYS A 173 12.924 2.711 -8.435 1.00 35.41 H new ATOM 0 HB3 CYS A 173 14.388 3.186 -7.597 1.00 35.41 H new ATOM 0 HG CYS A 173 14.976 0.919 -9.177 1.00 32.43 H new ATOM 460 N GLY A 174 13.905 0.777 -4.851 1.00 61.54 N ATOM 461 CA GLY A 174 14.693 0.351 -3.697 1.00 23.12 C ATOM 462 C GLY A 174 13.888 0.390 -2.401 1.00 43.13 C ATOM 463 O GLY A 174 14.191 -0.322 -1.438 1.00 63.52 O ATOM 0 H GLY A 174 13.469 0.019 -5.376 1.00 61.54 H new ATOM 0 HA2 GLY A 174 15.060 -0.662 -3.864 1.00 23.12 H new ATOM 0 HA3 GLY A 174 15.567 0.995 -3.599 1.00 23.12 H new ATOM 467 N VAL A 175 12.863 1.243 -2.379 1.00 52.41 N ATOM 468 CA VAL A 175 11.952 1.354 -1.242 1.00 14.41 C ATOM 469 C VAL A 175 10.722 0.455 -1.447 1.00 54.15 C ATOM 470 O VAL A 175 9.897 0.697 -2.333 1.00 65.44 O ATOM 471 CB VAL A 175 11.486 2.819 -1.040 1.00 74.34 C ATOM 472 CG1 VAL A 175 10.612 2.946 0.206 1.00 51.34 C ATOM 473 CG2 VAL A 175 12.686 3.763 -0.963 1.00 11.43 C ATOM 0 H VAL A 175 12.642 1.875 -3.148 1.00 52.41 H new ATOM 0 HA VAL A 175 12.495 1.031 -0.354 1.00 14.41 H new ATOM 0 HB VAL A 175 10.884 3.105 -1.903 1.00 74.34 H new ATOM 0 HG11 VAL A 175 10.298 3.983 0.326 1.00 51.34 H new ATOM 0 HG12 VAL A 175 9.733 2.310 0.100 1.00 51.34 H new ATOM 0 HG13 VAL A 175 11.181 2.636 1.083 1.00 51.34 H new ATOM 0 HG21 VAL A 175 12.336 4.786 -0.821 1.00 11.43 H new ATOM 0 HG22 VAL A 175 13.321 3.477 -0.124 1.00 11.43 H new ATOM 0 HG23 VAL A 175 13.258 3.700 -1.889 1.00 11.43 H new ATOM 483 N THR A 176 10.615 -0.588 -0.634 1.00 53.43 N ATOM 484 CA THR A 176 9.492 -1.529 -0.726 1.00 41.03 C ATOM 485 C THR A 176 8.210 -0.937 -0.131 1.00 1.44 C ATOM 486 O THR A 176 8.260 -0.019 0.690 1.00 11.22 O ATOM 487 CB THR A 176 9.805 -2.859 0.001 1.00 14.34 C ATOM 488 OG1 THR A 176 10.065 -2.612 1.393 1.00 51.13 O ATOM 489 CG2 THR A 176 11.008 -3.557 -0.628 1.00 44.43 C ATOM 0 H THR A 176 11.289 -0.809 0.099 1.00 53.43 H new ATOM 0 HA THR A 176 9.341 -1.723 -1.788 1.00 41.03 H new ATOM 0 HB THR A 176 8.936 -3.510 -0.097 1.00 14.34 H new ATOM 0 HG1 THR A 176 10.260 -3.459 1.845 1.00 51.13 H new ATOM 0 HG21 THR A 176 11.206 -4.489 -0.098 1.00 44.43 H new ATOM 0 HG22 THR A 176 10.797 -3.773 -1.675 1.00 44.43 H new ATOM 0 HG23 THR A 176 11.881 -2.908 -0.560 1.00 44.43 H new ATOM 497 N VAL A 177 7.062 -1.468 -0.550 1.00 33.42 N ATOM 498 CA VAL A 177 5.766 -1.048 0.001 1.00 1.53 C ATOM 499 C VAL A 177 5.762 -1.163 1.535 1.00 14.34 C ATOM 500 O VAL A 177 5.263 -0.286 2.240 1.00 2.04 O ATOM 501 CB VAL A 177 4.607 -1.903 -0.581 1.00 41.34 C ATOM 502 CG1 VAL A 177 3.253 -1.437 -0.045 1.00 30.23 C ATOM 503 CG2 VAL A 177 4.626 -1.869 -2.107 1.00 41.31 C ATOM 0 H VAL A 177 6.999 -2.189 -1.268 1.00 33.42 H new ATOM 0 HA VAL A 177 5.614 -0.006 -0.282 1.00 1.53 H new ATOM 0 HB VAL A 177 4.756 -2.934 -0.259 1.00 41.34 H new ATOM 0 HG11 VAL A 177 2.461 -2.054 -0.470 1.00 30.23 H new ATOM 0 HG12 VAL A 177 3.241 -1.528 1.041 1.00 30.23 H new ATOM 0 HG13 VAL A 177 3.090 -0.396 -0.323 1.00 30.23 H new ATOM 0 HG21 VAL A 177 3.806 -2.474 -2.495 1.00 41.31 H new ATOM 0 HG22 VAL A 177 4.511 -0.841 -2.449 1.00 41.31 H new ATOM 0 HG23 VAL A 177 5.574 -2.268 -2.468 1.00 41.31 H new ATOM 513 N ARG A 178 6.352 -2.247 2.031 1.00 54.13 N ATOM 514 CA ARG A 178 6.473 -2.490 3.472 1.00 53.31 C ATOM 515 C ARG A 178 7.293 -1.388 4.160 1.00 63.11 C ATOM 516 O ARG A 178 6.990 -0.973 5.279 1.00 63.43 O ATOM 517 CB ARG A 178 7.142 -3.851 3.703 1.00 61.21 C ATOM 518 CG ARG A 178 7.026 -4.364 5.133 1.00 72.44 C ATOM 519 CD ARG A 178 7.779 -5.678 5.323 1.00 53.54 C ATOM 520 NE ARG A 178 9.190 -5.571 4.952 1.00 50.44 N ATOM 521 CZ ARG A 178 10.052 -6.550 5.071 1.00 64.31 C ATOM 522 NH1 ARG A 178 9.691 -7.689 5.572 1.00 54.51 N ATOM 523 NH2 ARG A 178 11.278 -6.387 4.689 1.00 25.20 N ATOM 0 H ARG A 178 6.759 -2.981 1.451 1.00 54.13 H new ATOM 0 HA ARG A 178 5.473 -2.485 3.905 1.00 53.31 H new ATOM 0 HB2 ARG A 178 6.697 -4.582 3.028 1.00 61.21 H new ATOM 0 HB3 ARG A 178 8.197 -3.775 3.440 1.00 61.21 H new ATOM 0 HG2 ARG A 178 7.420 -3.616 5.821 1.00 72.44 H new ATOM 0 HG3 ARG A 178 5.975 -4.507 5.384 1.00 72.44 H new ATOM 0 HD2 ARG A 178 7.703 -5.990 6.365 1.00 53.54 H new ATOM 0 HD3 ARG A 178 7.306 -6.455 4.722 1.00 53.54 H new ATOM 0 HE ARG A 178 9.522 -4.682 4.579 1.00 50.44 H new ATOM 0 HH11 ARG A 178 8.728 -7.829 5.878 1.00 54.51 H new ATOM 0 HH12 ARG A 178 10.370 -8.445 5.661 1.00 54.51 H new ATOM 0 HH21 ARG A 178 11.575 -5.495 4.294 1.00 25.20 H new ATOM 0 HH22 ARG A 178 11.947 -7.151 4.783 1.00 25.20 H new ATOM 537 N ASP A 179 8.332 -0.920 3.473 1.00 71.24 N ATOM 538 CA ASP A 179 9.233 0.091 4.019 1.00 22.33 C ATOM 539 C ASP A 179 8.598 1.493 3.981 1.00 11.02 C ATOM 540 O ASP A 179 8.511 2.169 5.007 1.00 0.41 O ATOM 541 CB ASP A 179 10.553 0.076 3.243 1.00 14.32 C ATOM 542 CG ASP A 179 11.598 0.975 3.869 1.00 71.33 C ATOM 543 OD1 ASP A 179 12.077 0.648 4.975 1.00 34.34 O ATOM 544 OD2 ASP A 179 11.932 2.017 3.274 1.00 51.34 O ATOM 0 H ASP A 179 8.572 -1.228 2.530 1.00 71.24 H new ATOM 0 HA ASP A 179 9.426 -0.150 5.064 1.00 22.33 H new ATOM 0 HB2 ASP A 179 10.934 -0.944 3.199 1.00 14.32 H new ATOM 0 HB3 ASP A 179 10.372 0.394 2.216 1.00 14.32 H new ATOM 549 N SER A 180 8.141 1.910 2.801 1.00 2.43 N ATOM 550 CA SER A 180 7.543 3.246 2.616 1.00 3.12 C ATOM 551 C SER A 180 6.332 3.474 3.537 1.00 53.21 C ATOM 552 O SER A 180 6.169 4.552 4.118 1.00 73.24 O ATOM 553 CB SER A 180 7.116 3.444 1.152 1.00 31.53 C ATOM 554 OG SER A 180 6.562 4.736 0.943 1.00 33.02 O ATOM 0 H SER A 180 8.170 1.345 1.952 1.00 2.43 H new ATOM 0 HA SER A 180 8.308 3.976 2.881 1.00 3.12 H new ATOM 0 HB2 SER A 180 7.977 3.306 0.498 1.00 31.53 H new ATOM 0 HB3 SER A 180 6.384 2.684 0.879 1.00 31.53 H new ATOM 0 HG SER A 180 6.302 4.832 0.003 1.00 33.02 H new ATOM 560 N LEU A 181 5.490 2.448 3.683 1.00 62.32 N ATOM 561 CA LEU A 181 4.267 2.560 4.490 1.00 74.42 C ATOM 562 C LEU A 181 4.527 2.402 6.000 1.00 55.52 C ATOM 563 O LEU A 181 3.580 2.375 6.786 1.00 64.11 O ATOM 564 CB LEU A 181 3.223 1.530 4.032 1.00 31.44 C ATOM 565 CG LEU A 181 2.667 1.736 2.615 1.00 4.51 C ATOM 566 CD1 LEU A 181 1.596 0.695 2.303 1.00 73.41 C ATOM 567 CD2 LEU A 181 2.113 3.150 2.447 1.00 61.32 C ATOM 0 H LEU A 181 5.630 1.532 3.256 1.00 62.32 H new ATOM 0 HA LEU A 181 3.885 3.569 4.332 1.00 74.42 H new ATOM 0 HB2 LEU A 181 3.669 0.537 4.087 1.00 31.44 H new ATOM 0 HB3 LEU A 181 2.391 1.545 4.736 1.00 31.44 H new ATOM 0 HG LEU A 181 3.486 1.609 1.907 1.00 4.51 H new ATOM 0 HD11 LEU A 181 1.214 0.857 1.295 1.00 73.41 H new ATOM 0 HD12 LEU A 181 2.028 -0.303 2.371 1.00 73.41 H new ATOM 0 HD13 LEU A 181 0.780 0.787 3.020 1.00 73.41 H new ATOM 0 HD21 LEU A 181 1.725 3.271 1.436 1.00 61.32 H new ATOM 0 HD22 LEU A 181 1.310 3.314 3.166 1.00 61.32 H new ATOM 0 HD23 LEU A 181 2.908 3.875 2.620 1.00 61.32 H new ATOM 579 N LYS A 182 5.797 2.323 6.412 1.00 63.31 N ATOM 580 CA LYS A 182 6.132 2.186 7.841 1.00 50.24 C ATOM 581 C LYS A 182 5.493 3.322 8.667 1.00 10.11 C ATOM 582 O LYS A 182 5.048 3.112 9.798 1.00 71.31 O ATOM 583 CB LYS A 182 7.658 2.168 8.063 1.00 54.32 C ATOM 584 CG LYS A 182 8.349 3.502 7.780 1.00 74.14 C ATOM 585 CD LYS A 182 9.838 3.486 8.144 1.00 34.15 C ATOM 586 CE LYS A 182 10.698 2.757 7.114 1.00 12.11 C ATOM 587 NZ LYS A 182 10.361 1.315 7.001 1.00 72.33 N ATOM 0 H LYS A 182 6.604 2.351 5.788 1.00 63.31 H new ATOM 0 HA LYS A 182 5.726 1.233 8.179 1.00 50.24 H new ATOM 0 HB2 LYS A 182 7.860 1.879 9.094 1.00 54.32 H new ATOM 0 HB3 LYS A 182 8.098 1.402 7.425 1.00 54.32 H new ATOM 0 HG2 LYS A 182 8.240 3.746 6.723 1.00 74.14 H new ATOM 0 HG3 LYS A 182 7.850 4.291 8.342 1.00 74.14 H new ATOM 0 HD2 LYS A 182 10.193 4.512 8.244 1.00 34.15 H new ATOM 0 HD3 LYS A 182 9.963 3.009 9.116 1.00 34.15 H new ATOM 0 HE2 LYS A 182 10.573 3.232 6.141 1.00 12.11 H new ATOM 0 HE3 LYS A 182 11.748 2.860 7.386 1.00 12.11 H new ATOM 0 HZ1 LYS A 182 11.158 0.805 6.568 1.00 72.33 H new ATOM 0 HZ2 LYS A 182 10.175 0.927 7.948 1.00 72.33 H new ATOM 0 HZ3 LYS A 182 9.514 1.202 6.408 1.00 72.33 H new ATOM 601 N LYS A 183 5.447 4.523 8.083 1.00 11.40 N ATOM 602 CA LYS A 183 4.812 5.685 8.723 1.00 20.20 C ATOM 603 C LYS A 183 3.288 5.503 8.842 1.00 61.13 C ATOM 604 O LYS A 183 2.680 5.905 9.838 1.00 44.42 O ATOM 605 CB LYS A 183 5.130 6.968 7.935 1.00 32.22 C ATOM 606 CG LYS A 183 4.788 6.877 6.447 1.00 43.34 C ATOM 607 CD LYS A 183 4.937 8.220 5.731 1.00 34.15 C ATOM 608 CE LYS A 183 6.372 8.742 5.746 1.00 33.42 C ATOM 609 NZ LYS A 183 7.315 7.835 5.036 1.00 25.50 N ATOM 0 H LYS A 183 5.843 4.719 7.164 1.00 11.40 H new ATOM 0 HA LYS A 183 5.219 5.771 9.730 1.00 20.20 H new ATOM 0 HB2 LYS A 183 4.580 7.800 8.375 1.00 32.22 H new ATOM 0 HB3 LYS A 183 6.191 7.196 8.042 1.00 32.22 H new ATOM 0 HG2 LYS A 183 5.437 6.141 5.972 1.00 43.34 H new ATOM 0 HG3 LYS A 183 3.765 6.519 6.333 1.00 43.34 H new ATOM 0 HD2 LYS A 183 4.604 8.115 4.698 1.00 34.15 H new ATOM 0 HD3 LYS A 183 4.283 8.953 6.204 1.00 34.15 H new ATOM 0 HE2 LYS A 183 6.402 9.728 5.282 1.00 33.42 H new ATOM 0 HE3 LYS A 183 6.700 8.866 6.778 1.00 33.42 H new ATOM 0 HZ1 LYS A 183 8.249 8.287 4.971 1.00 25.50 H new ATOM 0 HZ2 LYS A 183 7.399 6.941 5.561 1.00 25.50 H new ATOM 0 HZ3 LYS A 183 6.956 7.642 4.079 1.00 25.50 H new ATOM 623 N ALA A 184 2.675 4.893 7.824 1.00 1.22 N ATOM 624 CA ALA A 184 1.228 4.653 7.819 1.00 10.11 C ATOM 625 C ALA A 184 0.849 3.576 8.841 1.00 14.20 C ATOM 626 O ALA A 184 -0.038 3.775 9.673 1.00 21.31 O ATOM 627 CB ALA A 184 0.762 4.258 6.419 1.00 44.34 C ATOM 0 H ALA A 184 3.158 4.556 6.991 1.00 1.22 H new ATOM 0 HA ALA A 184 0.725 5.577 8.104 1.00 10.11 H new ATOM 0 HB1 ALA A 184 -0.314 4.083 6.430 1.00 44.34 H new ATOM 0 HB2 ALA A 184 0.992 5.061 5.719 1.00 44.34 H new ATOM 0 HB3 ALA A 184 1.275 3.348 6.108 1.00 44.34 H new ATOM 633 N LEU A 185 1.542 2.443 8.774 1.00 55.30 N ATOM 634 CA LEU A 185 1.354 1.346 9.724 1.00 74.41 C ATOM 635 C LEU A 185 1.541 1.826 11.174 1.00 75.03 C ATOM 636 O LEU A 185 0.766 1.475 12.062 1.00 32.13 O ATOM 637 CB LEU A 185 2.347 0.214 9.413 1.00 43.42 C ATOM 638 CG LEU A 185 2.220 -0.416 8.014 1.00 34.24 C ATOM 639 CD1 LEU A 185 3.262 -1.516 7.817 1.00 4.13 C ATOM 640 CD2 LEU A 185 0.810 -0.961 7.796 1.00 42.21 C ATOM 0 H LEU A 185 2.249 2.258 8.062 1.00 55.30 H new ATOM 0 HA LEU A 185 0.334 0.976 9.621 1.00 74.41 H new ATOM 0 HB2 LEU A 185 3.359 0.601 9.527 1.00 43.42 H new ATOM 0 HB3 LEU A 185 2.220 -0.571 10.158 1.00 43.42 H new ATOM 0 HG LEU A 185 2.405 0.361 7.272 1.00 34.24 H new ATOM 0 HD11 LEU A 185 3.153 -1.946 6.822 1.00 4.13 H new ATOM 0 HD12 LEU A 185 4.261 -1.094 7.922 1.00 4.13 H new ATOM 0 HD13 LEU A 185 3.116 -2.294 8.567 1.00 4.13 H new ATOM 0 HD21 LEU A 185 0.740 -1.402 6.802 1.00 42.21 H new ATOM 0 HD22 LEU A 185 0.594 -1.721 8.546 1.00 42.21 H new ATOM 0 HD23 LEU A 185 0.088 -0.149 7.884 1.00 42.21 H new ATOM 652 N MET A 186 2.568 2.645 11.394 1.00 23.42 N ATOM 653 CA MET A 186 2.853 3.198 12.722 1.00 70.34 C ATOM 654 C MET A 186 1.671 4.027 13.262 1.00 42.01 C ATOM 655 O MET A 186 1.136 3.736 14.332 1.00 30.21 O ATOM 656 CB MET A 186 4.120 4.062 12.669 1.00 53.31 C ATOM 657 CG MET A 186 4.512 4.677 14.008 1.00 3.23 C ATOM 658 SD MET A 186 6.004 5.686 13.906 1.00 52.15 S ATOM 659 CE MET A 186 7.216 4.469 13.396 1.00 72.23 C ATOM 0 H MET A 186 3.220 2.943 10.668 1.00 23.42 H new ATOM 0 HA MET A 186 3.010 2.362 13.403 1.00 70.34 H new ATOM 0 HB2 MET A 186 4.947 3.452 12.306 1.00 53.31 H new ATOM 0 HB3 MET A 186 3.971 4.862 11.944 1.00 53.31 H new ATOM 0 HG2 MET A 186 3.689 5.290 14.376 1.00 3.23 H new ATOM 0 HG3 MET A 186 4.667 3.881 14.737 1.00 3.23 H new ATOM 0 HE1 MET A 186 8.153 4.645 13.925 1.00 72.23 H new ATOM 0 HE2 MET A 186 6.849 3.470 13.630 1.00 72.23 H new ATOM 0 HE3 MET A 186 7.385 4.551 12.322 1.00 72.23 H new ATOM 669 N MET A 187 1.258 5.049 12.510 1.00 65.44 N ATOM 670 CA MET A 187 0.189 5.955 12.964 1.00 2.32 C ATOM 671 C MET A 187 -1.188 5.263 13.014 1.00 44.50 C ATOM 672 O MET A 187 -2.082 5.699 13.740 1.00 21.44 O ATOM 673 CB MET A 187 0.127 7.204 12.068 1.00 12.42 C ATOM 674 CG MET A 187 -0.299 6.927 10.634 1.00 22.12 C ATOM 675 SD MET A 187 -0.324 8.418 9.617 1.00 25.41 S ATOM 676 CE MET A 187 -0.940 7.771 8.062 1.00 30.45 C ATOM 0 H MET A 187 1.640 5.273 11.591 1.00 65.44 H new ATOM 0 HA MET A 187 0.435 6.254 13.983 1.00 2.32 H new ATOM 0 HB2 MET A 187 -0.568 7.919 12.509 1.00 12.42 H new ATOM 0 HB3 MET A 187 1.108 7.678 12.058 1.00 12.42 H new ATOM 0 HG2 MET A 187 0.382 6.201 10.191 1.00 22.12 H new ATOM 0 HG3 MET A 187 -1.291 6.475 10.634 1.00 22.12 H new ATOM 0 HE1 MET A 187 -1.641 8.481 7.625 1.00 30.45 H new ATOM 0 HE2 MET A 187 -0.107 7.615 7.377 1.00 30.45 H new ATOM 0 HE3 MET A 187 -1.447 6.822 8.238 1.00 30.45 H new ATOM 686 N ARG A 188 -1.363 4.186 12.244 1.00 61.11 N ATOM 687 CA ARG A 188 -2.646 3.464 12.209 1.00 42.43 C ATOM 688 C ARG A 188 -2.609 2.144 12.999 1.00 73.34 C ATOM 689 O ARG A 188 -3.595 1.402 13.021 1.00 12.33 O ATOM 690 CB ARG A 188 -3.072 3.213 10.754 1.00 53.44 C ATOM 691 CG ARG A 188 -3.430 4.492 9.997 1.00 45.54 C ATOM 692 CD ARG A 188 -4.586 5.233 10.668 1.00 52.21 C ATOM 693 NE ARG A 188 -4.869 6.527 10.043 1.00 50.30 N ATOM 694 CZ ARG A 188 -5.347 7.559 10.688 1.00 21.32 C ATOM 695 NH1 ARG A 188 -5.555 7.496 11.966 1.00 55.32 N ATOM 696 NH2 ARG A 188 -5.594 8.656 10.053 1.00 22.43 N ATOM 0 H ARG A 188 -0.641 3.794 11.639 1.00 61.11 H new ATOM 0 HA ARG A 188 -3.385 4.099 12.699 1.00 42.43 H new ATOM 0 HB2 ARG A 188 -2.264 2.703 10.229 1.00 53.44 H new ATOM 0 HB3 ARG A 188 -3.931 2.542 10.745 1.00 53.44 H new ATOM 0 HG2 ARG A 188 -2.558 5.144 9.948 1.00 45.54 H new ATOM 0 HG3 ARG A 188 -3.701 4.245 8.971 1.00 45.54 H new ATOM 0 HD2 ARG A 188 -5.481 4.612 10.629 1.00 52.21 H new ATOM 0 HD3 ARG A 188 -4.351 5.387 11.721 1.00 52.21 H new ATOM 0 HE ARG A 188 -4.682 6.629 9.045 1.00 50.30 H new ATOM 0 HH11 ARG A 188 -5.346 6.637 12.475 1.00 55.32 H new ATOM 0 HH12 ARG A 188 -5.928 8.305 12.462 1.00 55.32 H new ATOM 0 HH21 ARG A 188 -5.416 8.716 9.050 1.00 22.43 H new ATOM 0 HH22 ARG A 188 -5.967 9.462 10.554 1.00 22.43 H new ATOM 710 N GLY A 189 -1.481 1.860 13.654 1.00 73.31 N ATOM 711 CA GLY A 189 -1.368 0.657 14.482 1.00 4.20 C ATOM 712 C GLY A 189 -1.602 -0.641 13.709 1.00 71.42 C ATOM 713 O GLY A 189 -2.376 -1.499 14.141 1.00 14.21 O ATOM 0 H GLY A 189 -0.642 2.439 13.628 1.00 73.31 H new ATOM 0 HA2 GLY A 189 -0.376 0.628 14.933 1.00 4.20 H new ATOM 0 HA3 GLY A 189 -2.088 0.719 15.298 1.00 4.20 H new ATOM 717 N LEU A 190 -0.941 -0.777 12.562 1.00 52.12 N ATOM 718 CA LEU A 190 -1.091 -1.961 11.703 1.00 11.14 C ATOM 719 C LEU A 190 0.274 -2.584 11.359 1.00 4.44 C ATOM 720 O LEU A 190 1.311 -1.928 11.457 1.00 3.01 O ATOM 721 CB LEU A 190 -1.825 -1.580 10.408 1.00 4.21 C ATOM 722 CG LEU A 190 -3.247 -1.018 10.594 1.00 23.22 C ATOM 723 CD1 LEU A 190 -3.831 -0.559 9.260 1.00 32.10 C ATOM 724 CD2 LEU A 190 -4.159 -2.054 11.255 1.00 4.45 C ATOM 0 H LEU A 190 -0.291 -0.080 12.199 1.00 52.12 H new ATOM 0 HA LEU A 190 -1.674 -2.700 12.253 1.00 11.14 H new ATOM 0 HB2 LEU A 190 -1.227 -0.840 9.876 1.00 4.21 H new ATOM 0 HB3 LEU A 190 -1.882 -2.462 9.770 1.00 4.21 H new ATOM 0 HG LEU A 190 -3.182 -0.151 11.252 1.00 23.22 H new ATOM 0 HD11 LEU A 190 -4.835 -0.166 9.418 1.00 32.10 H new ATOM 0 HD12 LEU A 190 -3.199 0.221 8.835 1.00 32.10 H new ATOM 0 HD13 LEU A 190 -3.876 -1.404 8.573 1.00 32.10 H new ATOM 0 HD21 LEU A 190 -5.158 -1.635 11.376 1.00 4.45 H new ATOM 0 HD22 LEU A 190 -4.213 -2.944 10.628 1.00 4.45 H new ATOM 0 HD23 LEU A 190 -3.757 -2.322 12.232 1.00 4.45 H new ATOM 736 N ILE A 191 0.263 -3.855 10.955 1.00 73.04 N ATOM 737 CA ILE A 191 1.489 -4.562 10.542 1.00 32.54 C ATOM 738 C ILE A 191 1.235 -5.437 9.293 1.00 72.34 C ATOM 739 O ILE A 191 0.102 -5.849 9.039 1.00 71.54 O ATOM 740 CB ILE A 191 2.059 -5.436 11.697 1.00 11.04 C ATOM 741 CG1 ILE A 191 0.969 -6.350 12.277 1.00 73.22 C ATOM 742 CG2 ILE A 191 2.675 -4.561 12.792 1.00 75.01 C ATOM 743 CD1 ILE A 191 1.435 -7.209 13.437 1.00 52.35 C ATOM 0 H ILE A 191 -0.583 -4.423 10.903 1.00 73.04 H new ATOM 0 HA ILE A 191 2.228 -3.801 10.290 1.00 32.54 H new ATOM 0 HB ILE A 191 2.848 -6.066 11.286 1.00 11.04 H new ATOM 0 HG12 ILE A 191 0.132 -5.735 12.607 1.00 73.22 H new ATOM 0 HG13 ILE A 191 0.595 -6.999 11.485 1.00 73.22 H new ATOM 0 HG21 ILE A 191 3.066 -5.195 13.588 1.00 75.01 H new ATOM 0 HG22 ILE A 191 3.486 -3.967 12.370 1.00 75.01 H new ATOM 0 HG23 ILE A 191 1.912 -3.897 13.199 1.00 75.01 H new ATOM 0 HD11 ILE A 191 0.607 -7.825 13.789 1.00 52.35 H new ATOM 0 HD12 ILE A 191 2.252 -7.852 13.109 1.00 52.35 H new ATOM 0 HD13 ILE A 191 1.781 -6.568 14.248 1.00 52.35 H new ATOM 755 N PRO A 192 2.287 -5.725 8.492 1.00 52.13 N ATOM 756 CA PRO A 192 2.160 -6.492 7.231 1.00 30.31 C ATOM 757 C PRO A 192 1.379 -7.818 7.363 1.00 24.43 C ATOM 758 O PRO A 192 0.724 -8.256 6.416 1.00 71.33 O ATOM 759 CB PRO A 192 3.620 -6.769 6.847 1.00 34.54 C ATOM 760 CG PRO A 192 4.385 -5.638 7.445 1.00 30.33 C ATOM 761 CD PRO A 192 3.685 -5.311 8.739 1.00 44.53 C ATOM 0 HA PRO A 192 1.588 -5.931 6.492 1.00 30.31 H new ATOM 0 HB2 PRO A 192 3.958 -7.728 7.239 1.00 34.54 H new ATOM 0 HB3 PRO A 192 3.746 -6.805 5.765 1.00 34.54 H new ATOM 0 HG2 PRO A 192 5.424 -5.918 7.622 1.00 30.33 H new ATOM 0 HG3 PRO A 192 4.396 -4.776 6.777 1.00 30.33 H new ATOM 0 HD2 PRO A 192 4.121 -5.852 9.579 1.00 44.53 H new ATOM 0 HD3 PRO A 192 3.753 -4.249 8.974 1.00 44.53 H new ATOM 769 N GLU A 193 1.463 -8.466 8.521 1.00 2.52 N ATOM 770 CA GLU A 193 0.745 -9.733 8.748 1.00 54.13 C ATOM 771 C GLU A 193 -0.709 -9.503 9.200 1.00 2.12 C ATOM 772 O GLU A 193 -1.533 -10.418 9.164 1.00 20.15 O ATOM 773 CB GLU A 193 1.495 -10.583 9.780 1.00 52.25 C ATOM 774 CG GLU A 193 1.659 -9.901 11.134 1.00 21.02 C ATOM 775 CD GLU A 193 2.620 -10.637 12.052 1.00 72.14 C ATOM 776 OE1 GLU A 193 3.843 -10.564 11.817 1.00 43.13 O ATOM 777 OE2 GLU A 193 2.161 -11.286 13.014 1.00 53.35 O ATOM 0 H GLU A 193 2.015 -8.144 9.316 1.00 2.52 H new ATOM 0 HA GLU A 193 0.707 -10.265 7.797 1.00 54.13 H new ATOM 0 HB2 GLU A 193 0.962 -11.524 9.919 1.00 52.25 H new ATOM 0 HB3 GLU A 193 2.481 -10.831 9.386 1.00 52.25 H new ATOM 0 HG2 GLU A 193 2.017 -8.883 10.982 1.00 21.02 H new ATOM 0 HG3 GLU A 193 0.685 -9.827 11.619 1.00 21.02 H new ATOM 784 N CYS A 194 -1.018 -8.280 9.621 1.00 11.34 N ATOM 785 CA CYS A 194 -2.371 -7.926 10.073 1.00 74.41 C ATOM 786 C CYS A 194 -3.191 -7.254 8.963 1.00 34.52 C ATOM 787 O CYS A 194 -4.393 -7.039 9.113 1.00 65.21 O ATOM 788 CB CYS A 194 -2.294 -6.987 11.284 1.00 23.34 C ATOM 789 SG CYS A 194 -3.896 -6.396 11.877 1.00 74.13 S ATOM 0 H CYS A 194 -0.350 -7.510 9.661 1.00 11.34 H new ATOM 0 HA CYS A 194 -2.872 -8.854 10.350 1.00 74.41 H new ATOM 0 HB2 CYS A 194 -1.788 -7.506 12.098 1.00 23.34 H new ATOM 0 HB3 CYS A 194 -1.678 -6.127 11.022 1.00 23.34 H new ATOM 0 HG CYS A 194 -4.643 -6.075 10.862 1.00 74.13 H new ATOM 795 N CYS A 195 -2.545 -6.924 7.846 1.00 44.34 N ATOM 796 CA CYS A 195 -3.219 -6.226 6.737 1.00 22.11 C ATOM 797 C CYS A 195 -2.729 -6.721 5.367 1.00 70.42 C ATOM 798 O CYS A 195 -1.579 -7.133 5.216 1.00 73.35 O ATOM 799 CB CYS A 195 -2.999 -4.711 6.853 1.00 21.23 C ATOM 800 SG CYS A 195 -3.727 -3.972 8.334 1.00 74.14 S ATOM 0 H CYS A 195 -1.559 -7.125 7.679 1.00 44.34 H new ATOM 0 HA CYS A 195 -4.284 -6.447 6.810 1.00 22.11 H new ATOM 0 HB2 CYS A 195 -1.928 -4.509 6.848 1.00 21.23 H new ATOM 0 HB3 CYS A 195 -3.420 -4.225 5.973 1.00 21.23 H new ATOM 0 HG CYS A 195 -4.322 -4.894 9.031 1.00 74.14 H new ATOM 806 N ALA A 196 -3.615 -6.679 4.373 1.00 53.53 N ATOM 807 CA ALA A 196 -3.276 -7.084 3.002 1.00 24.31 C ATOM 808 C ALA A 196 -3.464 -5.924 2.011 1.00 24.33 C ATOM 809 O ALA A 196 -4.478 -5.223 2.049 1.00 4.41 O ATOM 810 CB ALA A 196 -4.128 -8.279 2.586 1.00 54.32 C ATOM 0 H ALA A 196 -4.579 -6.367 4.489 1.00 53.53 H new ATOM 0 HA ALA A 196 -2.224 -7.369 2.984 1.00 24.31 H new ATOM 0 HB1 ALA A 196 -3.870 -8.573 1.568 1.00 54.32 H new ATOM 0 HB2 ALA A 196 -3.941 -9.113 3.263 1.00 54.32 H new ATOM 0 HB3 ALA A 196 -5.183 -8.007 2.629 1.00 54.32 H new ATOM 816 N VAL A 197 -2.483 -5.730 1.128 1.00 12.21 N ATOM 817 CA VAL A 197 -2.537 -4.677 0.107 1.00 12.12 C ATOM 818 C VAL A 197 -2.755 -5.274 -1.291 1.00 45.31 C ATOM 819 O VAL A 197 -1.994 -6.134 -1.733 1.00 4.53 O ATOM 820 CB VAL A 197 -1.229 -3.844 0.081 1.00 2.03 C ATOM 821 CG1 VAL A 197 -1.354 -2.665 -0.883 1.00 14.32 C ATOM 822 CG2 VAL A 197 -0.854 -3.366 1.482 1.00 53.32 C ATOM 0 H VAL A 197 -1.633 -6.293 1.098 1.00 12.21 H new ATOM 0 HA VAL A 197 -3.375 -4.031 0.370 1.00 12.12 H new ATOM 0 HB VAL A 197 -0.427 -4.490 -0.277 1.00 2.03 H new ATOM 0 HG11 VAL A 197 -0.424 -2.096 -0.884 1.00 14.32 H new ATOM 0 HG12 VAL A 197 -1.553 -3.036 -1.888 1.00 14.32 H new ATOM 0 HG13 VAL A 197 -2.174 -2.021 -0.565 1.00 14.32 H new ATOM 0 HG21 VAL A 197 0.067 -2.785 1.434 1.00 53.32 H new ATOM 0 HG22 VAL A 197 -1.655 -2.744 1.881 1.00 53.32 H new ATOM 0 HG23 VAL A 197 -0.705 -4.228 2.133 1.00 53.32 H new ATOM 832 N TYR A 198 -3.788 -4.818 -1.989 1.00 44.52 N ATOM 833 CA TYR A 198 -4.050 -5.276 -3.360 1.00 73.12 C ATOM 834 C TYR A 198 -4.505 -4.117 -4.259 1.00 71.31 C ATOM 835 O TYR A 198 -5.095 -3.145 -3.787 1.00 21.30 O ATOM 836 CB TYR A 198 -5.104 -6.397 -3.363 1.00 0.31 C ATOM 837 CG TYR A 198 -6.463 -5.977 -2.830 1.00 21.54 C ATOM 838 CD1 TYR A 198 -6.739 -6.010 -1.468 1.00 23.02 C ATOM 839 CD2 TYR A 198 -7.469 -5.547 -3.692 1.00 55.22 C ATOM 840 CE1 TYR A 198 -7.973 -5.630 -0.981 1.00 65.20 C ATOM 841 CE2 TYR A 198 -8.706 -5.164 -3.210 1.00 2.25 C ATOM 842 CZ TYR A 198 -8.954 -5.208 -1.855 1.00 30.33 C ATOM 843 OH TYR A 198 -10.187 -4.827 -1.371 1.00 3.43 O ATOM 0 H TYR A 198 -4.458 -4.135 -1.636 1.00 44.52 H new ATOM 0 HA TYR A 198 -3.116 -5.669 -3.762 1.00 73.12 H new ATOM 0 HB2 TYR A 198 -5.224 -6.765 -4.382 1.00 0.31 H new ATOM 0 HB3 TYR A 198 -4.734 -7.230 -2.765 1.00 0.31 H new ATOM 0 HD1 TYR A 198 -5.975 -6.339 -0.779 1.00 23.02 H new ATOM 0 HD2 TYR A 198 -7.279 -5.512 -4.755 1.00 55.22 H new ATOM 0 HE1 TYR A 198 -8.170 -5.663 0.080 1.00 65.20 H new ATOM 0 HE2 TYR A 198 -9.475 -4.832 -3.892 1.00 2.25 H new ATOM 0 HH TYR A 198 -10.330 -5.228 -0.488 1.00 3.43 H new ATOM 853 N ARG A 199 -4.230 -4.224 -5.556 1.00 71.31 N ATOM 854 CA ARG A 199 -4.644 -3.196 -6.519 1.00 52.42 C ATOM 855 C ARG A 199 -5.512 -3.817 -7.621 1.00 74.50 C ATOM 856 O ARG A 199 -5.414 -5.016 -7.897 1.00 3.44 O ATOM 857 CB ARG A 199 -3.415 -2.490 -7.117 1.00 64.21 C ATOM 858 CG ARG A 199 -2.672 -3.284 -8.193 1.00 50.45 C ATOM 859 CD ARG A 199 -1.314 -2.657 -8.513 1.00 52.23 C ATOM 860 NE ARG A 199 -0.865 -2.944 -9.874 1.00 64.23 N ATOM 861 CZ ARG A 199 0.288 -3.479 -10.178 1.00 33.32 C ATOM 862 NH1 ARG A 199 1.083 -3.911 -9.252 1.00 62.33 N ATOM 863 NH2 ARG A 199 0.640 -3.592 -11.414 1.00 62.25 N ATOM 0 H ARG A 199 -3.724 -5.008 -5.968 1.00 71.31 H new ATOM 0 HA ARG A 199 -5.240 -2.448 -5.997 1.00 52.42 H new ATOM 0 HB2 ARG A 199 -3.733 -1.539 -7.544 1.00 64.21 H new ATOM 0 HB3 ARG A 199 -2.719 -2.260 -6.310 1.00 64.21 H new ATOM 0 HG2 ARG A 199 -2.530 -4.311 -7.856 1.00 50.45 H new ATOM 0 HG3 ARG A 199 -3.277 -3.326 -9.099 1.00 50.45 H new ATOM 0 HD2 ARG A 199 -1.376 -1.577 -8.376 1.00 52.23 H new ATOM 0 HD3 ARG A 199 -0.572 -3.027 -7.805 1.00 52.23 H new ATOM 0 HE ARG A 199 -1.496 -2.710 -10.641 1.00 64.23 H new ATOM 0 HH11 ARG A 199 0.812 -3.836 -8.271 1.00 62.33 H new ATOM 0 HH12 ARG A 199 1.980 -4.326 -9.503 1.00 62.33 H new ATOM 0 HH21 ARG A 199 0.019 -3.264 -12.153 1.00 62.25 H new ATOM 0 HH22 ARG A 199 1.540 -4.009 -11.652 1.00 62.25 H new ATOM 877 N ILE A 200 -6.362 -3.006 -8.246 1.00 74.43 N ATOM 878 CA ILE A 200 -7.322 -3.515 -9.232 1.00 22.23 C ATOM 879 C ILE A 200 -6.978 -3.052 -10.657 1.00 11.21 C ATOM 880 O ILE A 200 -6.730 -1.870 -10.902 1.00 23.13 O ATOM 881 CB ILE A 200 -8.770 -3.084 -8.886 1.00 41.24 C ATOM 882 CG1 ILE A 200 -9.122 -3.503 -7.449 1.00 5.41 C ATOM 883 CG2 ILE A 200 -9.764 -3.688 -9.881 1.00 40.24 C ATOM 884 CD1 ILE A 200 -10.515 -3.098 -7.011 1.00 20.32 C ATOM 0 H ILE A 200 -6.409 -1.999 -8.091 1.00 74.43 H new ATOM 0 HA ILE A 200 -7.256 -4.602 -9.195 1.00 22.23 H new ATOM 0 HB ILE A 200 -8.834 -1.998 -8.956 1.00 41.24 H new ATOM 0 HG12 ILE A 200 -9.026 -4.585 -7.364 1.00 5.41 H new ATOM 0 HG13 ILE A 200 -8.396 -3.064 -6.765 1.00 5.41 H new ATOM 0 HG21 ILE A 200 -10.775 -3.374 -9.621 1.00 40.24 H new ATOM 0 HG22 ILE A 200 -9.525 -3.345 -10.888 1.00 40.24 H new ATOM 0 HG23 ILE A 200 -9.701 -4.776 -9.843 1.00 40.24 H new ATOM 0 HD11 ILE A 200 -10.685 -3.430 -5.987 1.00 20.32 H new ATOM 0 HD12 ILE A 200 -10.611 -2.013 -7.062 1.00 20.32 H new ATOM 0 HD13 ILE A 200 -11.252 -3.559 -7.669 1.00 20.32 H new ATOM 896 N GLN A 201 -6.969 -3.996 -11.592 1.00 52.23 N ATOM 897 CA GLN A 201 -6.661 -3.709 -12.999 1.00 70.44 C ATOM 898 C GLN A 201 -7.618 -4.468 -13.933 1.00 71.50 C ATOM 899 O GLN A 201 -7.680 -5.691 -13.898 1.00 72.52 O ATOM 900 CB GLN A 201 -5.209 -4.104 -13.299 1.00 21.13 C ATOM 901 CG GLN A 201 -4.785 -3.855 -14.740 1.00 32.54 C ATOM 902 CD GLN A 201 -3.378 -4.345 -15.028 1.00 33.04 C ATOM 903 OE1 GLN A 201 -2.405 -3.611 -14.889 1.00 21.22 O ATOM 904 NE2 GLN A 201 -3.258 -5.594 -15.419 1.00 13.31 N ATOM 0 H GLN A 201 -7.173 -4.977 -11.404 1.00 52.23 H new ATOM 0 HA GLN A 201 -6.790 -2.641 -13.174 1.00 70.44 H new ATOM 0 HB2 GLN A 201 -4.547 -3.548 -12.635 1.00 21.13 H new ATOM 0 HB3 GLN A 201 -5.076 -5.161 -13.069 1.00 21.13 H new ATOM 0 HG2 GLN A 201 -5.484 -4.354 -15.412 1.00 32.54 H new ATOM 0 HG3 GLN A 201 -4.845 -2.788 -14.953 1.00 32.54 H new ATOM 0 HE21 GLN A 201 -4.088 -6.177 -15.525 1.00 13.31 H new ATOM 0 HE22 GLN A 201 -2.335 -5.980 -15.617 1.00 13.31 H new ATOM 913 N ASP A 202 -8.382 -3.740 -14.751 1.00 33.35 N ATOM 914 CA ASP A 202 -9.357 -4.364 -15.664 1.00 3.23 C ATOM 915 C ASP A 202 -10.388 -5.235 -14.909 1.00 61.50 C ATOM 916 O ASP A 202 -11.096 -6.044 -15.517 1.00 35.13 O ATOM 917 CB ASP A 202 -8.634 -5.211 -16.722 1.00 70.32 C ATOM 918 CG ASP A 202 -7.835 -4.367 -17.697 1.00 63.03 C ATOM 919 OD1 ASP A 202 -6.722 -3.932 -17.347 1.00 71.42 O ATOM 920 OD2 ASP A 202 -8.321 -4.133 -18.825 1.00 22.14 O ATOM 0 H ASP A 202 -8.349 -2.722 -14.804 1.00 33.35 H new ATOM 0 HA ASP A 202 -9.901 -3.556 -16.153 1.00 3.23 H new ATOM 0 HB2 ASP A 202 -7.967 -5.915 -16.225 1.00 70.32 H new ATOM 0 HB3 ASP A 202 -9.367 -5.801 -17.273 1.00 70.32 H new ATOM 925 N GLY A 203 -10.482 -5.047 -13.591 1.00 43.22 N ATOM 926 CA GLY A 203 -11.415 -5.824 -12.777 1.00 62.04 C ATOM 927 C GLY A 203 -10.744 -6.874 -11.883 1.00 13.10 C ATOM 928 O GLY A 203 -11.404 -7.465 -11.025 1.00 34.24 O ATOM 0 H GLY A 203 -9.927 -4.368 -13.069 1.00 43.22 H new ATOM 0 HA2 GLY A 203 -11.988 -5.141 -12.150 1.00 62.04 H new ATOM 0 HA3 GLY A 203 -12.125 -6.324 -13.436 1.00 62.04 H new ATOM 932 N GLU A 204 -9.446 -7.121 -12.074 1.00 52.04 N ATOM 933 CA GLU A 204 -8.727 -8.126 -11.268 1.00 31.23 C ATOM 934 C GLU A 204 -8.157 -7.523 -9.974 1.00 33.22 C ATOM 935 O GLU A 204 -7.575 -6.440 -9.984 1.00 32.55 O ATOM 936 CB GLU A 204 -7.590 -8.769 -12.085 1.00 52.24 C ATOM 937 CG GLU A 204 -6.413 -7.837 -12.374 1.00 41.35 C ATOM 938 CD GLU A 204 -5.449 -8.394 -13.416 1.00 75.55 C ATOM 939 OE1 GLU A 204 -5.923 -8.902 -14.457 1.00 42.42 O ATOM 940 OE2 GLU A 204 -4.217 -8.324 -13.203 1.00 22.43 O ATOM 0 H GLU A 204 -8.871 -6.647 -12.771 1.00 52.04 H new ATOM 0 HA GLU A 204 -9.452 -8.892 -10.994 1.00 31.23 H new ATOM 0 HB2 GLU A 204 -7.222 -9.643 -11.547 1.00 52.24 H new ATOM 0 HB3 GLU A 204 -7.996 -9.125 -13.032 1.00 52.24 H new ATOM 0 HG2 GLU A 204 -6.795 -6.876 -12.718 1.00 41.35 H new ATOM 0 HG3 GLU A 204 -5.869 -7.651 -11.448 1.00 41.35 H new ATOM 947 N LYS A 205 -8.342 -8.228 -8.859 1.00 72.23 N ATOM 948 CA LYS A 205 -7.732 -7.841 -7.583 1.00 42.15 C ATOM 949 C LYS A 205 -6.446 -8.641 -7.340 1.00 43.43 C ATOM 950 O LYS A 205 -6.495 -9.820 -6.991 1.00 71.25 O ATOM 951 CB LYS A 205 -8.705 -8.078 -6.418 1.00 23.10 C ATOM 952 CG LYS A 205 -9.954 -7.206 -6.452 1.00 72.25 C ATOM 953 CD LYS A 205 -10.859 -7.487 -5.255 1.00 3.51 C ATOM 954 CE LYS A 205 -12.090 -6.588 -5.239 1.00 2.41 C ATOM 955 NZ LYS A 205 -12.967 -6.876 -4.073 1.00 43.34 N ATOM 0 H LYS A 205 -8.911 -9.073 -8.811 1.00 72.23 H new ATOM 0 HA LYS A 205 -7.494 -6.779 -7.636 1.00 42.15 H new ATOM 0 HB2 LYS A 205 -9.008 -9.125 -6.421 1.00 23.10 H new ATOM 0 HB3 LYS A 205 -8.179 -7.901 -5.480 1.00 23.10 H new ATOM 0 HG2 LYS A 205 -9.666 -6.155 -6.454 1.00 72.25 H new ATOM 0 HG3 LYS A 205 -10.502 -7.388 -7.376 1.00 72.25 H new ATOM 0 HD2 LYS A 205 -11.174 -8.530 -5.277 1.00 3.51 H new ATOM 0 HD3 LYS A 205 -10.295 -7.344 -4.334 1.00 3.51 H new ATOM 0 HE2 LYS A 205 -11.778 -5.544 -5.210 1.00 2.41 H new ATOM 0 HE3 LYS A 205 -12.654 -6.727 -6.161 1.00 2.41 H new ATOM 0 HZ1 LYS A 205 -13.794 -6.245 -4.096 1.00 43.34 H new ATOM 0 HZ2 LYS A 205 -13.285 -7.865 -4.114 1.00 43.34 H new ATOM 0 HZ3 LYS A 205 -12.436 -6.719 -3.192 1.00 43.34 H new ATOM 969 N LYS A 206 -5.298 -8.005 -7.537 1.00 43.12 N ATOM 970 CA LYS A 206 -4.006 -8.681 -7.362 1.00 20.32 C ATOM 971 C LYS A 206 -3.359 -8.341 -6.008 1.00 64.22 C ATOM 972 O LYS A 206 -2.986 -7.189 -5.761 1.00 75.54 O ATOM 973 CB LYS A 206 -3.052 -8.319 -8.510 1.00 3.20 C ATOM 974 CG LYS A 206 -3.495 -8.856 -9.870 1.00 43.14 C ATOM 975 CD LYS A 206 -3.639 -10.378 -9.851 1.00 3.45 C ATOM 976 CE LYS A 206 -4.060 -10.930 -11.209 1.00 71.11 C ATOM 977 NZ LYS A 206 -4.295 -12.397 -11.164 1.00 21.53 N ATOM 0 H LYS A 206 -5.228 -7.027 -7.817 1.00 43.12 H new ATOM 0 HA LYS A 206 -4.195 -9.754 -7.378 1.00 20.32 H new ATOM 0 HB2 LYS A 206 -2.964 -7.234 -8.569 1.00 3.20 H new ATOM 0 HB3 LYS A 206 -2.059 -8.707 -8.282 1.00 3.20 H new ATOM 0 HG2 LYS A 206 -4.446 -8.403 -10.149 1.00 43.14 H new ATOM 0 HG3 LYS A 206 -2.769 -8.568 -10.630 1.00 43.14 H new ATOM 0 HD2 LYS A 206 -2.691 -10.828 -9.555 1.00 3.45 H new ATOM 0 HD3 LYS A 206 -4.376 -10.663 -9.100 1.00 3.45 H new ATOM 0 HE2 LYS A 206 -4.969 -10.427 -11.539 1.00 71.11 H new ATOM 0 HE3 LYS A 206 -3.288 -10.709 -11.946 1.00 71.11 H new ATOM 0 HZ1 LYS A 206 -4.579 -12.732 -12.107 1.00 21.53 H new ATOM 0 HZ2 LYS A 206 -3.421 -12.880 -10.874 1.00 21.53 H new ATOM 0 HZ3 LYS A 206 -5.050 -12.607 -10.480 1.00 21.53 H new ATOM 991 N PRO A 207 -3.230 -9.341 -5.105 1.00 32.22 N ATOM 992 CA PRO A 207 -2.554 -9.167 -3.806 1.00 43.44 C ATOM 993 C PRO A 207 -1.062 -8.841 -3.969 1.00 0.30 C ATOM 994 O PRO A 207 -0.280 -9.669 -4.442 1.00 32.30 O ATOM 995 CB PRO A 207 -2.740 -10.531 -3.107 1.00 32.02 C ATOM 996 CG PRO A 207 -3.848 -11.201 -3.853 1.00 3.13 C ATOM 997 CD PRO A 207 -3.738 -10.714 -5.270 1.00 51.11 C ATOM 0 HA PRO A 207 -2.969 -8.332 -3.241 1.00 43.44 H new ATOM 0 HB2 PRO A 207 -1.825 -11.122 -3.145 1.00 32.02 H new ATOM 0 HB3 PRO A 207 -2.993 -10.404 -2.055 1.00 32.02 H new ATOM 0 HG2 PRO A 207 -3.753 -12.286 -3.804 1.00 3.13 H new ATOM 0 HG3 PRO A 207 -4.818 -10.946 -3.426 1.00 3.13 H new ATOM 0 HD2 PRO A 207 -3.057 -11.329 -5.857 1.00 51.11 H new ATOM 0 HD3 PRO A 207 -4.702 -10.730 -5.779 1.00 51.11 H new ATOM 1005 N ILE A 208 -0.680 -7.630 -3.589 1.00 23.21 N ATOM 1006 CA ILE A 208 0.699 -7.163 -3.738 1.00 11.41 C ATOM 1007 C ILE A 208 1.559 -7.560 -2.534 1.00 22.42 C ATOM 1008 O ILE A 208 1.188 -7.316 -1.386 1.00 23.21 O ATOM 1009 CB ILE A 208 0.746 -5.622 -3.892 1.00 44.01 C ATOM 1010 CG1 ILE A 208 -0.196 -5.170 -5.019 1.00 52.01 C ATOM 1011 CG2 ILE A 208 2.176 -5.151 -4.161 1.00 70.33 C ATOM 1012 CD1 ILE A 208 -0.332 -3.669 -5.129 1.00 4.34 C ATOM 0 H ILE A 208 -1.309 -6.945 -3.171 1.00 23.21 H new ATOM 0 HA ILE A 208 1.098 -7.637 -4.635 1.00 11.41 H new ATOM 0 HB ILE A 208 0.410 -5.170 -2.959 1.00 44.01 H new ATOM 0 HG12 ILE A 208 0.170 -5.564 -5.967 1.00 52.01 H new ATOM 0 HG13 ILE A 208 -1.182 -5.604 -4.853 1.00 52.01 H new ATOM 0 HG21 ILE A 208 2.188 -4.066 -4.266 1.00 70.33 H new ATOM 0 HG22 ILE A 208 2.817 -5.442 -3.329 1.00 70.33 H new ATOM 0 HG23 ILE A 208 2.543 -5.609 -5.080 1.00 70.33 H new ATOM 0 HD11 ILE A 208 -1.012 -3.424 -5.945 1.00 4.34 H new ATOM 0 HD12 ILE A 208 -0.728 -3.270 -4.195 1.00 4.34 H new ATOM 0 HD13 ILE A 208 0.645 -3.229 -5.326 1.00 4.34 H new ATOM 1024 N GLY A 209 2.709 -8.168 -2.801 1.00 55.42 N ATOM 1025 CA GLY A 209 3.641 -8.497 -1.732 1.00 62.05 C ATOM 1026 C GLY A 209 4.270 -7.254 -1.111 1.00 60.25 C ATOM 1027 O GLY A 209 4.842 -6.425 -1.821 1.00 5.51 O ATOM 0 H GLY A 209 3.015 -8.440 -3.735 1.00 55.42 H new ATOM 0 HA2 GLY A 209 3.120 -9.063 -0.960 1.00 62.05 H new ATOM 0 HA3 GLY A 209 4.427 -9.142 -2.124 1.00 62.05 H new ATOM 1031 N TRP A 210 4.170 -7.122 0.212 1.00 75.54 N ATOM 1032 CA TRP A 210 4.722 -5.967 0.931 1.00 52.40 C ATOM 1033 C TRP A 210 6.207 -5.727 0.579 1.00 31.45 C ATOM 1034 O TRP A 210 6.689 -4.594 0.604 1.00 13.41 O ATOM 1035 CB TRP A 210 4.573 -6.171 2.447 1.00 74.01 C ATOM 1036 CG TRP A 210 3.156 -6.100 2.949 1.00 20.21 C ATOM 1037 CD1 TRP A 210 2.209 -7.087 2.908 1.00 72.40 C ATOM 1038 CD2 TRP A 210 2.533 -4.977 3.585 1.00 70.43 C ATOM 1039 NE1 TRP A 210 1.040 -6.642 3.478 1.00 54.25 N ATOM 1040 CE2 TRP A 210 1.215 -5.351 3.900 1.00 44.02 C ATOM 1041 CE3 TRP A 210 2.964 -3.690 3.919 1.00 21.30 C ATOM 1042 CZ2 TRP A 210 0.326 -4.487 4.534 1.00 32.14 C ATOM 1043 CZ3 TRP A 210 2.082 -2.832 4.549 1.00 1.23 C ATOM 1044 CH2 TRP A 210 0.776 -3.234 4.851 1.00 14.13 C ATOM 0 H TRP A 210 3.709 -7.805 0.814 1.00 75.54 H new ATOM 0 HA TRP A 210 4.159 -5.086 0.621 1.00 52.40 H new ATOM 0 HB2 TRP A 210 4.991 -7.142 2.713 1.00 74.01 H new ATOM 0 HB3 TRP A 210 5.166 -5.416 2.963 1.00 74.01 H new ATOM 0 HD1 TRP A 210 2.358 -8.071 2.489 1.00 72.40 H new ATOM 0 HE1 TRP A 210 0.182 -7.185 3.571 1.00 54.25 H new ATOM 0 HE3 TRP A 210 3.970 -3.371 3.689 1.00 21.30 H new ATOM 0 HZ2 TRP A 210 -0.683 -4.795 4.767 1.00 32.14 H new ATOM 0 HZ3 TRP A 210 2.406 -1.836 4.812 1.00 1.23 H new ATOM 0 HH2 TRP A 210 0.110 -2.542 5.344 1.00 14.13 H new ATOM 1055 N ASP A 211 6.914 -6.798 0.227 1.00 25.02 N ATOM 1056 CA ASP A 211 8.348 -6.726 -0.090 1.00 2.44 C ATOM 1057 C ASP A 211 8.617 -6.279 -1.546 1.00 50.24 C ATOM 1058 O ASP A 211 9.732 -6.420 -2.051 1.00 0.04 O ATOM 1059 CB ASP A 211 8.986 -8.095 0.166 1.00 41.30 C ATOM 1060 CG ASP A 211 8.828 -8.536 1.608 1.00 14.44 C ATOM 1061 OD1 ASP A 211 7.813 -9.187 1.925 1.00 52.21 O ATOM 1062 OD2 ASP A 211 9.713 -8.224 2.428 1.00 72.10 O ATOM 0 H ASP A 211 6.518 -7.735 0.152 1.00 25.02 H new ATOM 0 HA ASP A 211 8.793 -5.970 0.556 1.00 2.44 H new ATOM 0 HB2 ASP A 211 8.530 -8.836 -0.491 1.00 41.30 H new ATOM 0 HB3 ASP A 211 10.046 -8.054 -0.086 1.00 41.30 H new ATOM 1067 N THR A 212 7.602 -5.733 -2.215 1.00 55.32 N ATOM 1068 CA THR A 212 7.748 -5.254 -3.602 1.00 44.31 C ATOM 1069 C THR A 212 8.100 -3.757 -3.653 1.00 75.13 C ATOM 1070 O THR A 212 7.580 -2.965 -2.867 1.00 70.21 O ATOM 1071 CB THR A 212 6.447 -5.489 -4.415 1.00 41.54 C ATOM 1072 OG1 THR A 212 6.078 -6.877 -4.367 1.00 22.02 O ATOM 1073 CG2 THR A 212 6.611 -5.063 -5.873 1.00 33.42 C ATOM 0 H THR A 212 6.668 -5.608 -1.825 1.00 55.32 H new ATOM 0 HA THR A 212 8.564 -5.826 -4.044 1.00 44.31 H new ATOM 0 HB THR A 212 5.664 -4.880 -3.964 1.00 41.54 H new ATOM 0 HG1 THR A 212 5.594 -7.058 -3.534 1.00 22.02 H new ATOM 0 HG21 THR A 212 5.680 -5.242 -6.411 1.00 33.42 H new ATOM 0 HG22 THR A 212 6.857 -4.002 -5.917 1.00 33.42 H new ATOM 0 HG23 THR A 212 7.413 -5.641 -6.333 1.00 33.42 H new ATOM 1081 N ASP A 213 8.987 -3.374 -4.577 1.00 32.34 N ATOM 1082 CA ASP A 213 9.346 -1.962 -4.770 1.00 31.41 C ATOM 1083 C ASP A 213 8.115 -1.121 -5.144 1.00 34.34 C ATOM 1084 O ASP A 213 7.456 -1.375 -6.155 1.00 40.33 O ATOM 1085 CB ASP A 213 10.416 -1.829 -5.857 1.00 35.31 C ATOM 1086 CG ASP A 213 11.724 -2.484 -5.460 1.00 31.51 C ATOM 1087 OD1 ASP A 213 11.826 -3.724 -5.560 1.00 21.40 O ATOM 1088 OD2 ASP A 213 12.653 -1.764 -5.051 1.00 63.45 O ATOM 0 H ASP A 213 9.470 -4.019 -5.203 1.00 32.34 H new ATOM 0 HA ASP A 213 9.743 -1.587 -3.827 1.00 31.41 H new ATOM 0 HB2 ASP A 213 10.051 -2.281 -6.780 1.00 35.31 H new ATOM 0 HB3 ASP A 213 10.590 -0.773 -6.066 1.00 35.31 H new ATOM 1093 N ILE A 214 7.831 -0.102 -4.339 1.00 22.24 N ATOM 1094 CA ILE A 214 6.619 0.714 -4.501 1.00 31.23 C ATOM 1095 C ILE A 214 6.588 1.470 -5.848 1.00 41.23 C ATOM 1096 O ILE A 214 5.528 1.884 -6.314 1.00 42.33 O ATOM 1097 CB ILE A 214 6.469 1.718 -3.327 1.00 4.12 C ATOM 1098 CG1 ILE A 214 5.112 2.443 -3.389 1.00 34.55 C ATOM 1099 CG2 ILE A 214 7.620 2.723 -3.323 1.00 31.32 C ATOM 1100 CD1 ILE A 214 4.865 3.381 -2.226 1.00 52.31 C ATOM 0 H ILE A 214 8.425 0.185 -3.561 1.00 22.24 H new ATOM 0 HA ILE A 214 5.777 0.022 -4.495 1.00 31.23 H new ATOM 0 HB ILE A 214 6.506 1.153 -2.396 1.00 4.12 H new ATOM 0 HG12 ILE A 214 5.056 3.010 -4.319 1.00 34.55 H new ATOM 0 HG13 ILE A 214 4.315 1.700 -3.420 1.00 34.55 H new ATOM 0 HG21 ILE A 214 7.494 3.417 -2.492 1.00 31.32 H new ATOM 0 HG22 ILE A 214 8.566 2.193 -3.213 1.00 31.32 H new ATOM 0 HG23 ILE A 214 7.622 3.278 -4.261 1.00 31.32 H new ATOM 0 HD11 ILE A 214 3.890 3.854 -2.341 1.00 52.31 H new ATOM 0 HD12 ILE A 214 4.888 2.818 -1.293 1.00 52.31 H new ATOM 0 HD13 ILE A 214 5.640 4.147 -2.206 1.00 52.31 H new ATOM 1112 N SER A 215 7.752 1.630 -6.482 1.00 70.00 N ATOM 1113 CA SER A 215 7.839 2.311 -7.788 1.00 42.05 C ATOM 1114 C SER A 215 7.024 1.584 -8.875 1.00 51.43 C ATOM 1115 O SER A 215 6.685 2.168 -9.906 1.00 62.04 O ATOM 1116 CB SER A 215 9.300 2.425 -8.242 1.00 71.21 C ATOM 1117 OG SER A 215 9.412 3.147 -9.462 1.00 41.33 O ATOM 0 H SER A 215 8.647 1.301 -6.119 1.00 70.00 H new ATOM 0 HA SER A 215 7.417 3.307 -7.653 1.00 42.05 H new ATOM 0 HB2 SER A 215 9.885 2.923 -7.468 1.00 71.21 H new ATOM 0 HB3 SER A 215 9.722 1.428 -8.368 1.00 71.21 H new ATOM 0 HG SER A 215 10.355 3.203 -9.723 1.00 41.33 H new ATOM 1123 N TRP A 216 6.717 0.308 -8.641 1.00 52.11 N ATOM 1124 CA TRP A 216 5.919 -0.494 -9.583 1.00 2.21 C ATOM 1125 C TRP A 216 4.415 -0.176 -9.478 1.00 35.41 C ATOM 1126 O TRP A 216 3.617 -0.638 -10.293 1.00 14.43 O ATOM 1127 CB TRP A 216 6.148 -1.994 -9.326 1.00 40.34 C ATOM 1128 CG TRP A 216 7.532 -2.465 -9.666 1.00 65.32 C ATOM 1129 CD1 TRP A 216 8.710 -2.003 -9.152 1.00 1.00 C ATOM 1130 CD2 TRP A 216 7.880 -3.513 -10.584 1.00 53.42 C ATOM 1131 NE1 TRP A 216 9.765 -2.684 -9.706 1.00 71.43 N ATOM 1132 CE2 TRP A 216 9.282 -3.619 -10.584 1.00 15.34 C ATOM 1133 CE3 TRP A 216 7.139 -4.367 -11.408 1.00 63.34 C ATOM 1134 CZ2 TRP A 216 9.959 -4.544 -11.374 1.00 54.12 C ATOM 1135 CZ3 TRP A 216 7.811 -5.288 -12.189 1.00 1.24 C ATOM 1136 CH2 TRP A 216 9.208 -5.366 -12.170 1.00 32.51 C ATOM 0 H TRP A 216 7.008 -0.199 -7.805 1.00 52.11 H new ATOM 0 HA TRP A 216 6.247 -0.237 -10.590 1.00 2.21 H new ATOM 0 HB2 TRP A 216 5.950 -2.207 -8.275 1.00 40.34 H new ATOM 0 HB3 TRP A 216 5.426 -2.567 -9.909 1.00 40.34 H new ATOM 0 HD1 TRP A 216 8.798 -1.217 -8.417 1.00 1.00 H new ATOM 0 HE1 TRP A 216 10.750 -2.521 -9.498 1.00 71.43 H new ATOM 0 HE3 TRP A 216 6.061 -4.308 -11.433 1.00 63.34 H new ATOM 0 HZ2 TRP A 216 11.037 -4.611 -11.359 1.00 54.12 H new ATOM 0 HZ3 TRP A 216 7.249 -5.958 -12.824 1.00 1.24 H new ATOM 0 HH2 TRP A 216 9.705 -6.091 -12.798 1.00 32.51 H new ATOM 1147 N LEU A 217 4.040 0.619 -8.476 1.00 64.14 N ATOM 1148 CA LEU A 217 2.627 0.937 -8.210 1.00 14.40 C ATOM 1149 C LEU A 217 2.313 2.410 -8.528 1.00 72.25 C ATOM 1150 O LEU A 217 1.304 2.956 -8.083 1.00 21.03 O ATOM 1151 CB LEU A 217 2.317 0.638 -6.737 1.00 31.14 C ATOM 1152 CG LEU A 217 2.759 -0.754 -6.251 1.00 20.14 C ATOM 1153 CD1 LEU A 217 2.441 -0.942 -4.773 1.00 50.20 C ATOM 1154 CD2 LEU A 217 2.110 -1.851 -7.087 1.00 24.44 C ATOM 0 H LEU A 217 4.695 1.059 -7.829 1.00 64.14 H new ATOM 0 HA LEU A 217 2.002 0.321 -8.856 1.00 14.40 H new ATOM 0 HB2 LEU A 217 2.801 1.393 -6.118 1.00 31.14 H new ATOM 0 HB3 LEU A 217 1.243 0.738 -6.579 1.00 31.14 H new ATOM 0 HG LEU A 217 3.840 -0.826 -6.375 1.00 20.14 H new ATOM 0 HD11 LEU A 217 2.763 -1.933 -4.455 1.00 50.20 H new ATOM 0 HD12 LEU A 217 2.965 -0.185 -4.189 1.00 50.20 H new ATOM 0 HD13 LEU A 217 1.367 -0.842 -4.616 1.00 50.20 H new ATOM 0 HD21 LEU A 217 2.437 -2.826 -6.725 1.00 24.44 H new ATOM 0 HD22 LEU A 217 1.026 -1.778 -7.004 1.00 24.44 H new ATOM 0 HD23 LEU A 217 2.403 -1.734 -8.131 1.00 24.44 H new ATOM 1166 N THR A 218 3.174 3.033 -9.322 1.00 25.41 N ATOM 1167 CA THR A 218 3.070 4.468 -9.628 1.00 61.33 C ATOM 1168 C THR A 218 1.759 4.834 -10.348 1.00 53.53 C ATOM 1169 O THR A 218 1.450 4.297 -11.413 1.00 2.31 O ATOM 1170 CB THR A 218 4.255 4.936 -10.507 1.00 1.10 C ATOM 1171 OG1 THR A 218 5.504 4.681 -9.842 1.00 3.50 O ATOM 1172 CG2 THR A 218 4.148 6.424 -10.837 1.00 20.45 C ATOM 0 H THR A 218 3.962 2.568 -9.773 1.00 25.41 H new ATOM 0 HA THR A 218 3.088 4.976 -8.664 1.00 61.33 H new ATOM 0 HB THR A 218 4.217 4.371 -11.438 1.00 1.10 H new ATOM 0 HG1 THR A 218 5.767 3.748 -9.987 1.00 3.50 H new ATOM 0 HG21 THR A 218 4.995 6.721 -11.455 1.00 20.45 H new ATOM 0 HG22 THR A 218 3.220 6.611 -11.378 1.00 20.45 H new ATOM 0 HG23 THR A 218 4.152 7.003 -9.913 1.00 20.45 H new ATOM 1180 N GLY A 219 0.997 5.757 -9.762 1.00 62.23 N ATOM 1181 CA GLY A 219 -0.170 6.317 -10.442 1.00 44.31 C ATOM 1182 C GLY A 219 -1.510 5.721 -10.008 1.00 40.25 C ATOM 1183 O GLY A 219 -2.506 6.444 -9.916 1.00 24.13 O ATOM 0 H GLY A 219 1.164 6.130 -8.827 1.00 62.23 H new ATOM 0 HA2 GLY A 219 -0.193 7.393 -10.268 1.00 44.31 H new ATOM 0 HA3 GLY A 219 -0.053 6.170 -11.516 1.00 44.31 H new ATOM 1187 N GLU A 220 -1.548 4.416 -9.739 1.00 0.12 N ATOM 1188 CA GLU A 220 -2.817 3.733 -9.434 1.00 41.50 C ATOM 1189 C GLU A 220 -3.066 3.590 -7.920 1.00 72.24 C ATOM 1190 O GLU A 220 -2.209 3.910 -7.091 1.00 41.43 O ATOM 1191 CB GLU A 220 -2.874 2.364 -10.137 1.00 5.43 C ATOM 1192 CG GLU A 220 -1.780 1.384 -9.727 1.00 3.01 C ATOM 1193 CD GLU A 220 -1.790 0.119 -10.578 1.00 32.21 C ATOM 1194 OE1 GLU A 220 -2.790 -0.631 -10.534 1.00 52.14 O ATOM 1195 OE2 GLU A 220 -0.804 -0.127 -11.305 1.00 73.42 O ATOM 0 H GLU A 220 -0.727 3.811 -9.725 1.00 0.12 H new ATOM 0 HA GLU A 220 -3.620 4.361 -9.820 1.00 41.50 H new ATOM 0 HB2 GLU A 220 -3.843 1.909 -9.935 1.00 5.43 H new ATOM 0 HB3 GLU A 220 -2.814 2.522 -11.214 1.00 5.43 H new ATOM 0 HG2 GLU A 220 -0.808 1.870 -9.814 1.00 3.01 H new ATOM 0 HG3 GLU A 220 -1.910 1.115 -8.679 1.00 3.01 H new ATOM 1202 N GLU A 221 -4.264 3.120 -7.576 1.00 0.42 N ATOM 1203 CA GLU A 221 -4.724 3.061 -6.181 1.00 74.12 C ATOM 1204 C GLU A 221 -4.443 1.699 -5.523 1.00 43.43 C ATOM 1205 O GLU A 221 -4.618 0.646 -6.136 1.00 63.51 O ATOM 1206 CB GLU A 221 -6.237 3.341 -6.113 1.00 24.33 C ATOM 1207 CG GLU A 221 -6.662 4.732 -6.591 1.00 3.44 C ATOM 1208 CD GLU A 221 -6.419 4.971 -8.075 1.00 14.34 C ATOM 1209 OE1 GLU A 221 -6.854 4.134 -8.898 1.00 41.40 O ATOM 1210 OE2 GLU A 221 -5.812 6.004 -8.424 1.00 35.22 O ATOM 0 H GLU A 221 -4.944 2.769 -8.250 1.00 0.42 H new ATOM 0 HA GLU A 221 -4.166 3.821 -5.634 1.00 74.12 H new ATOM 0 HB2 GLU A 221 -6.756 2.593 -6.712 1.00 24.33 H new ATOM 0 HB3 GLU A 221 -6.569 3.211 -5.083 1.00 24.33 H new ATOM 0 HG2 GLU A 221 -7.722 4.871 -6.379 1.00 3.44 H new ATOM 0 HG3 GLU A 221 -6.121 5.484 -6.018 1.00 3.44 H new ATOM 1217 N LEU A 222 -4.022 1.735 -4.260 1.00 41.43 N ATOM 1218 CA LEU A 222 -3.848 0.523 -3.456 1.00 24.11 C ATOM 1219 C LEU A 222 -5.005 0.366 -2.462 1.00 53.24 C ATOM 1220 O LEU A 222 -5.473 1.341 -1.876 1.00 52.02 O ATOM 1221 CB LEU A 222 -2.520 0.563 -2.688 1.00 53.24 C ATOM 1222 CG LEU A 222 -1.258 0.716 -3.551 1.00 33.41 C ATOM 1223 CD1 LEU A 222 -0.001 0.593 -2.690 1.00 3.25 C ATOM 1224 CD2 LEU A 222 -1.245 -0.310 -4.683 1.00 12.55 C ATOM 0 H LEU A 222 -3.793 2.598 -3.766 1.00 41.43 H new ATOM 0 HA LEU A 222 -3.839 -0.329 -4.136 1.00 24.11 H new ATOM 0 HB2 LEU A 222 -2.556 1.390 -1.979 1.00 53.24 H new ATOM 0 HB3 LEU A 222 -2.431 -0.353 -2.105 1.00 53.24 H new ATOM 0 HG LEU A 222 -1.269 1.710 -3.999 1.00 33.41 H new ATOM 0 HD11 LEU A 222 0.883 0.704 -3.318 1.00 3.25 H new ATOM 0 HD12 LEU A 222 -0.004 1.372 -1.928 1.00 3.25 H new ATOM 0 HD13 LEU A 222 0.016 -0.385 -2.209 1.00 3.25 H new ATOM 0 HD21 LEU A 222 -0.342 -0.182 -5.280 1.00 12.55 H new ATOM 0 HD22 LEU A 222 -1.262 -1.316 -4.263 1.00 12.55 H new ATOM 0 HD23 LEU A 222 -2.121 -0.166 -5.315 1.00 12.55 H new ATOM 1236 N HIS A 223 -5.462 -0.865 -2.275 1.00 50.41 N ATOM 1237 CA HIS A 223 -6.555 -1.154 -1.341 1.00 40.42 C ATOM 1238 C HIS A 223 -6.059 -2.036 -0.187 1.00 4.45 C ATOM 1239 O HIS A 223 -5.615 -3.163 -0.406 1.00 24.41 O ATOM 1240 CB HIS A 223 -7.709 -1.843 -2.080 1.00 2.11 C ATOM 1241 CG HIS A 223 -8.232 -1.054 -3.243 1.00 23.32 C ATOM 1242 ND1 HIS A 223 -9.377 -0.288 -3.182 1.00 23.12 N ATOM 1243 CD2 HIS A 223 -7.755 -0.904 -4.503 1.00 4.11 C ATOM 1244 CE1 HIS A 223 -9.579 0.295 -4.344 1.00 54.21 C ATOM 1245 NE2 HIS A 223 -8.612 -0.062 -5.164 1.00 73.52 N ATOM 0 H HIS A 223 -5.095 -1.686 -2.757 1.00 50.41 H new ATOM 0 HA HIS A 223 -6.915 -0.213 -0.924 1.00 40.42 H new ATOM 0 HB2 HIS A 223 -7.372 -2.817 -2.434 1.00 2.11 H new ATOM 0 HB3 HIS A 223 -8.523 -2.023 -1.378 1.00 2.11 H new ATOM 0 HD2 HIS A 223 -6.866 -1.362 -4.910 1.00 4.11 H new ATOM 0 HE1 HIS A 223 -10.399 0.955 -4.585 1.00 54.21 H new ATOM 0 HE2 HIS A 223 -8.516 0.239 -6.134 1.00 73.52 H new ATOM 1254 N VAL A 224 -6.123 -1.509 1.036 1.00 73.03 N ATOM 1255 CA VAL A 224 -5.648 -2.230 2.224 1.00 14.41 C ATOM 1256 C VAL A 224 -6.809 -2.604 3.159 1.00 70.13 C ATOM 1257 O VAL A 224 -7.628 -1.756 3.517 1.00 10.44 O ATOM 1258 CB VAL A 224 -4.619 -1.379 3.014 1.00 0.13 C ATOM 1259 CG1 VAL A 224 -4.030 -2.172 4.182 1.00 32.03 C ATOM 1260 CG2 VAL A 224 -3.518 -0.868 2.087 1.00 33.33 C ATOM 0 H VAL A 224 -6.500 -0.582 1.233 1.00 73.03 H new ATOM 0 HA VAL A 224 -5.171 -3.144 1.870 1.00 14.41 H new ATOM 0 HB VAL A 224 -5.140 -0.517 3.429 1.00 0.13 H new ATOM 0 HG11 VAL A 224 -3.312 -1.551 4.718 1.00 32.03 H new ATOM 0 HG12 VAL A 224 -4.830 -2.469 4.860 1.00 32.03 H new ATOM 0 HG13 VAL A 224 -3.528 -3.061 3.801 1.00 32.03 H new ATOM 0 HG21 VAL A 224 -2.807 -0.274 2.660 1.00 33.33 H new ATOM 0 HG22 VAL A 224 -3.002 -1.714 1.634 1.00 33.33 H new ATOM 0 HG23 VAL A 224 -3.959 -0.251 1.304 1.00 33.33 H new ATOM 1270 N GLU A 225 -6.873 -3.871 3.553 1.00 25.32 N ATOM 1271 CA GLU A 225 -7.904 -4.344 4.489 1.00 43.44 C ATOM 1272 C GLU A 225 -7.301 -5.252 5.574 1.00 44.32 C ATOM 1273 O GLU A 225 -6.249 -5.870 5.373 1.00 73.23 O ATOM 1274 CB GLU A 225 -9.029 -5.067 3.731 1.00 22.35 C ATOM 1275 CG GLU A 225 -8.546 -6.174 2.801 1.00 51.11 C ATOM 1276 CD GLU A 225 -9.683 -6.816 2.019 1.00 31.41 C ATOM 1277 OE1 GLU A 225 -10.277 -6.136 1.153 1.00 0.10 O ATOM 1278 OE2 GLU A 225 -10.003 -7.995 2.274 1.00 21.11 O ATOM 0 H GLU A 225 -6.225 -4.595 3.242 1.00 25.32 H new ATOM 0 HA GLU A 225 -8.329 -3.474 4.988 1.00 43.44 H new ATOM 0 HB2 GLU A 225 -9.724 -5.493 4.455 1.00 22.35 H new ATOM 0 HB3 GLU A 225 -9.587 -4.335 3.147 1.00 22.35 H new ATOM 0 HG2 GLU A 225 -7.815 -5.765 2.103 1.00 51.11 H new ATOM 0 HG3 GLU A 225 -8.035 -6.938 3.386 1.00 51.11 H new ATOM 1285 N VAL A 226 -7.971 -5.321 6.725 1.00 34.41 N ATOM 1286 CA VAL A 226 -7.452 -6.047 7.893 1.00 33.31 C ATOM 1287 C VAL A 226 -7.656 -7.570 7.781 1.00 15.23 C ATOM 1288 O VAL A 226 -8.751 -8.049 7.472 1.00 63.12 O ATOM 1289 CB VAL A 226 -8.114 -5.541 9.204 1.00 45.41 C ATOM 1290 CG1 VAL A 226 -7.541 -6.268 10.422 1.00 64.32 C ATOM 1291 CG2 VAL A 226 -7.943 -4.028 9.347 1.00 62.32 C ATOM 0 H VAL A 226 -8.879 -4.882 6.877 1.00 34.41 H new ATOM 0 HA VAL A 226 -6.381 -5.849 7.920 1.00 33.31 H new ATOM 0 HB VAL A 226 -9.180 -5.761 9.151 1.00 45.41 H new ATOM 0 HG11 VAL A 226 -8.021 -5.896 11.327 1.00 64.32 H new ATOM 0 HG12 VAL A 226 -7.726 -7.338 10.327 1.00 64.32 H new ATOM 0 HG13 VAL A 226 -6.467 -6.089 10.481 1.00 64.32 H new ATOM 0 HG21 VAL A 226 -8.414 -3.694 10.272 1.00 62.32 H new ATOM 0 HG22 VAL A 226 -6.881 -3.783 9.371 1.00 62.32 H new ATOM 0 HG23 VAL A 226 -8.412 -3.527 8.500 1.00 62.32 H new ATOM 1301 N LEU A 227 -6.584 -8.319 8.032 1.00 3.45 N ATOM 1302 CA LEU A 227 -6.633 -9.784 8.061 1.00 21.05 C ATOM 1303 C LEU A 227 -6.998 -10.288 9.465 1.00 55.15 C ATOM 1304 O LEU A 227 -8.037 -10.917 9.664 1.00 71.44 O ATOM 1305 CB LEU A 227 -5.278 -10.370 7.629 1.00 21.53 C ATOM 1306 CG LEU A 227 -4.810 -9.981 6.217 1.00 40.23 C ATOM 1307 CD1 LEU A 227 -3.432 -10.575 5.924 1.00 70.24 C ATOM 1308 CD2 LEU A 227 -5.832 -10.428 5.170 1.00 24.20 C ATOM 0 H LEU A 227 -5.659 -7.932 8.221 1.00 3.45 H new ATOM 0 HA LEU A 227 -7.403 -10.114 7.363 1.00 21.05 H new ATOM 0 HB2 LEU A 227 -4.520 -10.053 8.345 1.00 21.53 H new ATOM 0 HB3 LEU A 227 -5.336 -11.457 7.687 1.00 21.53 H new ATOM 0 HG LEU A 227 -4.727 -8.895 6.168 1.00 40.23 H new ATOM 0 HD11 LEU A 227 -3.118 -10.289 4.920 1.00 70.24 H new ATOM 0 HD12 LEU A 227 -2.712 -10.199 6.651 1.00 70.24 H new ATOM 0 HD13 LEU A 227 -3.482 -11.662 5.992 1.00 70.24 H new ATOM 0 HD21 LEU A 227 -5.484 -10.144 4.177 1.00 24.20 H new ATOM 0 HD22 LEU A 227 -5.951 -11.510 5.217 1.00 24.20 H new ATOM 0 HD23 LEU A 227 -6.790 -9.948 5.369 1.00 24.20 H new