USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 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 10 THR OG1 : rot 24:sc= 0.194 USER MOD Single : A 13 SER OG : rot 34:sc= 0.13 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.58) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.65) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 48:sc= 0.29 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -31:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 24:sc= 0.0762 USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 41:sc= 0.168 USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : B 217 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.23) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -175:sc= 1.04 (180deg=1.03) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 50:sc= 0.0483 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -54:sc= 1.86 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.095 -10.582 -5.147 1.00 74.00 N ATOM 138 CA THR A 10 -7.766 -11.064 -5.009 1.00 21.43 C ATOM 139 C THR A 10 -6.868 -10.150 -5.831 1.00 33.43 C ATOM 140 O THR A 10 -6.932 -10.139 -7.069 1.00 4.30 O ATOM 141 CB THR A 10 -7.674 -12.509 -5.523 1.00 25.21 C ATOM 142 OG1 THR A 10 -8.680 -13.298 -4.862 1.00 3.43 O ATOM 143 CG2 THR A 10 -6.299 -13.104 -5.232 1.00 64.51 C ATOM 0 HA THR A 10 -7.458 -11.063 -3.963 1.00 21.43 H new ATOM 0 HB THR A 10 -7.830 -12.512 -6.602 1.00 25.21 H new ATOM 0 HG1 THR A 10 -9.406 -12.714 -4.558 1.00 3.43 H new ATOM 0 HG21 THR A 10 -6.259 -14.127 -5.605 1.00 64.51 H new ATOM 0 HG22 THR A 10 -5.532 -12.507 -5.726 1.00 64.51 H new ATOM 0 HG23 THR A 10 -6.122 -13.103 -4.156 1.00 64.51 H new ATOM 151 N CYS A 11 -6.076 -9.372 -5.161 1.00 15.11 N ATOM 152 CA CYS A 11 -5.267 -8.396 -5.812 1.00 54.55 C ATOM 153 C CYS A 11 -3.816 -8.659 -5.494 1.00 4.11 C ATOM 154 O CYS A 11 -3.497 -9.229 -4.447 1.00 70.40 O ATOM 155 CB CYS A 11 -5.632 -6.996 -5.290 1.00 14.34 C ATOM 156 SG CYS A 11 -7.431 -6.597 -5.268 1.00 13.23 S ATOM 0 H CYS A 11 -5.974 -9.398 -4.146 1.00 15.11 H new ATOM 0 HA CYS A 11 -5.435 -8.450 -6.888 1.00 54.55 H new ATOM 0 HB2 CYS A 11 -5.243 -6.893 -4.277 1.00 14.34 H new ATOM 0 HB3 CYS A 11 -5.121 -6.254 -5.904 1.00 14.34 H new ATOM 161 N VAL A 12 -2.949 -8.248 -6.372 1.00 72.02 N ATOM 162 CA VAL A 12 -1.540 -8.347 -6.145 1.00 34.54 C ATOM 163 C VAL A 12 -1.052 -7.024 -5.628 1.00 33.24 C ATOM 164 O VAL A 12 -1.358 -5.970 -6.185 1.00 3.44 O ATOM 165 CB VAL A 12 -0.779 -8.745 -7.454 1.00 64.21 C ATOM 166 CG1 VAL A 12 0.713 -8.444 -7.395 1.00 43.51 C ATOM 167 CG2 VAL A 12 -1.036 -10.209 -7.799 1.00 14.54 C ATOM 0 H VAL A 12 -3.202 -7.833 -7.269 1.00 72.02 H new ATOM 0 HA VAL A 12 -1.344 -9.130 -5.413 1.00 34.54 H new ATOM 0 HB VAL A 12 -1.179 -8.120 -8.253 1.00 64.21 H new ATOM 0 HG11 VAL A 12 1.182 -8.743 -8.332 1.00 43.51 H new ATOM 0 HG12 VAL A 12 0.863 -7.376 -7.239 1.00 43.51 H new ATOM 0 HG13 VAL A 12 1.164 -8.998 -6.571 1.00 43.51 H new ATOM 0 HG21 VAL A 12 -0.499 -10.467 -8.712 1.00 14.54 H new ATOM 0 HG22 VAL A 12 -0.689 -10.842 -6.982 1.00 14.54 H new ATOM 0 HG23 VAL A 12 -2.104 -10.365 -7.950 1.00 14.54 H new ATOM 177 N SER A 13 -0.321 -7.074 -4.569 1.00 10.15 N ATOM 178 CA SER A 13 0.212 -5.908 -3.974 1.00 72.33 C ATOM 179 C SER A 13 1.687 -6.096 -3.744 1.00 2.33 C ATOM 180 O SER A 13 2.109 -6.926 -2.932 1.00 61.44 O ATOM 181 CB SER A 13 -0.553 -5.572 -2.685 1.00 0.02 C ATOM 182 OG SER A 13 -0.629 -6.700 -1.812 1.00 45.52 O ATOM 0 H SER A 13 -0.076 -7.940 -4.089 1.00 10.15 H new ATOM 0 HA SER A 13 0.089 -5.054 -4.641 1.00 72.33 H new ATOM 0 HB2 SER A 13 -0.059 -4.747 -2.172 1.00 0.02 H new ATOM 0 HB3 SER A 13 -1.559 -5.236 -2.935 1.00 0.02 H new ATOM 0 HG SER A 13 0.191 -7.231 -1.892 1.00 45.52 H new ATOM 188 N LEU A 14 2.464 -5.382 -4.495 1.00 64.23 N ATOM 189 CA LEU A 14 3.867 -5.476 -4.406 1.00 4.22 C ATOM 190 C LEU A 14 4.414 -4.180 -3.915 1.00 31.21 C ATOM 191 O LEU A 14 4.249 -3.124 -4.542 1.00 13.43 O ATOM 192 CB LEU A 14 4.418 -5.872 -5.752 1.00 11.22 C ATOM 193 CG LEU A 14 4.061 -7.297 -6.181 1.00 40.45 C ATOM 194 CD1 LEU A 14 4.372 -7.520 -7.639 1.00 53.20 C ATOM 195 CD2 LEU A 14 4.835 -8.288 -5.322 1.00 23.11 C ATOM 0 H LEU A 14 2.129 -4.715 -5.190 1.00 64.23 H new ATOM 0 HA LEU A 14 4.167 -6.243 -3.692 1.00 4.22 H new ATOM 0 HB2 LEU A 14 4.047 -5.175 -6.503 1.00 11.22 H new ATOM 0 HB3 LEU A 14 5.503 -5.772 -5.732 1.00 11.22 H new ATOM 0 HG LEU A 14 2.990 -7.447 -6.042 1.00 40.45 H new ATOM 0 HD11 LEU A 14 4.108 -8.541 -7.915 1.00 53.20 H new ATOM 0 HD12 LEU A 14 3.797 -6.820 -8.245 1.00 53.20 H new ATOM 0 HD13 LEU A 14 5.436 -7.361 -7.813 1.00 53.20 H new ATOM 0 HD21 LEU A 14 4.584 -9.305 -5.624 1.00 23.11 H new ATOM 0 HD22 LEU A 14 5.905 -8.124 -5.452 1.00 23.11 H new ATOM 0 HD23 LEU A 14 4.571 -8.145 -4.274 1.00 23.11 H new ATOM 207 N THR A 15 5.050 -4.252 -2.800 1.00 12.43 N ATOM 208 CA THR A 15 5.506 -3.097 -2.136 1.00 52.40 C ATOM 209 C THR A 15 7.010 -2.902 -2.353 1.00 25.24 C ATOM 210 O THR A 15 7.779 -3.872 -2.419 1.00 3.10 O ATOM 211 CB THR A 15 5.181 -3.201 -0.639 1.00 43.12 C ATOM 212 OG1 THR A 15 3.844 -3.741 -0.502 1.00 63.04 O ATOM 213 CG2 THR A 15 5.182 -1.821 -0.030 1.00 62.15 C ATOM 0 H THR A 15 5.268 -5.127 -2.323 1.00 12.43 H new ATOM 0 HA THR A 15 4.996 -2.227 -2.550 1.00 52.40 H new ATOM 0 HB THR A 15 5.918 -3.834 -0.145 1.00 43.12 H new ATOM 0 HG1 THR A 15 3.618 -3.817 0.448 1.00 63.04 H new ATOM 0 HG21 THR A 15 4.951 -1.892 1.033 1.00 62.15 H new ATOM 0 HG22 THR A 15 6.165 -1.367 -0.159 1.00 62.15 H new ATOM 0 HG23 THR A 15 4.431 -1.205 -0.524 1.00 62.15 H new ATOM 221 N THR A 16 7.394 -1.677 -2.504 1.00 70.30 N ATOM 222 CA THR A 16 8.751 -1.284 -2.702 1.00 71.34 C ATOM 223 C THR A 16 9.058 -0.185 -1.671 1.00 43.34 C ATOM 224 O THR A 16 8.132 0.314 -1.035 1.00 53.53 O ATOM 225 CB THR A 16 8.996 -0.840 -4.186 1.00 60.25 C ATOM 226 OG1 THR A 16 10.351 -0.420 -4.405 1.00 75.00 O ATOM 227 CG2 THR A 16 8.032 0.250 -4.617 1.00 71.10 C ATOM 0 H THR A 16 6.745 -0.891 -2.492 1.00 70.30 H new ATOM 0 HA THR A 16 9.437 -2.116 -2.544 1.00 71.34 H new ATOM 0 HB THR A 16 8.812 -1.720 -4.802 1.00 60.25 H new ATOM 0 HG1 THR A 16 10.463 -0.153 -5.341 1.00 75.00 H new ATOM 0 HG21 THR A 16 8.236 0.528 -5.651 1.00 71.10 H new ATOM 0 HG22 THR A 16 7.009 -0.116 -4.535 1.00 71.10 H new ATOM 0 HG23 THR A 16 8.158 1.122 -3.975 1.00 71.10 H new ATOM 235 N GLN A 17 10.315 0.132 -1.449 1.00 41.52 N ATOM 236 CA GLN A 17 10.679 1.086 -0.405 1.00 65.31 C ATOM 237 C GLN A 17 10.076 2.475 -0.588 1.00 0.34 C ATOM 238 O GLN A 17 9.105 2.821 0.095 1.00 24.03 O ATOM 239 CB GLN A 17 12.181 1.147 -0.171 1.00 61.42 C ATOM 240 CG GLN A 17 12.767 -0.169 0.293 1.00 51.32 C ATOM 241 CD GLN A 17 12.038 -0.718 1.502 1.00 33.13 C ATOM 242 OE1 GLN A 17 11.087 -1.478 1.371 1.00 13.23 O ATOM 243 NE2 GLN A 17 12.453 -0.323 2.667 1.00 5.33 N ATOM 0 H GLN A 17 11.104 -0.250 -1.970 1.00 41.52 H new ATOM 0 HA GLN A 17 10.223 0.690 0.502 1.00 65.31 H new ATOM 0 HB2 GLN A 17 12.674 1.451 -1.094 1.00 61.42 H new ATOM 0 HB3 GLN A 17 12.395 1.915 0.572 1.00 61.42 H new ATOM 0 HG2 GLN A 17 12.719 -0.894 -0.520 1.00 51.32 H new ATOM 0 HG3 GLN A 17 13.821 -0.031 0.536 1.00 51.32 H new ATOM 0 HE21 GLN A 17 13.249 0.311 2.737 1.00 5.33 H new ATOM 0 HE22 GLN A 17 11.983 -0.647 3.512 1.00 5.33 H new ATOM 252 N ARG A 18 10.619 3.269 -1.477 1.00 50.04 N ATOM 253 CA ARG A 18 10.083 4.591 -1.674 1.00 14.14 C ATOM 254 C ARG A 18 10.333 5.087 -3.078 1.00 34.01 C ATOM 255 O ARG A 18 11.467 5.402 -3.451 1.00 22.42 O ATOM 256 CB ARG A 18 10.655 5.572 -0.638 1.00 34.13 C ATOM 257 CG ARG A 18 10.099 6.984 -0.747 1.00 55.43 C ATOM 258 CD ARG A 18 10.653 7.883 0.343 1.00 30.00 C ATOM 259 NE ARG A 18 12.114 8.016 0.279 1.00 21.12 N ATOM 260 CZ ARG A 18 12.869 8.604 1.217 1.00 23.21 C ATOM 261 NH1 ARG A 18 12.308 9.081 2.326 1.00 60.40 N ATOM 262 NH2 ARG A 18 14.182 8.698 1.049 1.00 74.14 N ATOM 0 H ARG A 18 11.417 3.029 -2.065 1.00 50.04 H new ATOM 0 HA ARG A 18 9.004 4.533 -1.533 1.00 14.14 H new ATOM 0 HB2 ARG A 18 10.450 5.188 0.362 1.00 34.13 H new ATOM 0 HB3 ARG A 18 11.739 5.610 -0.749 1.00 34.13 H new ATOM 0 HG2 ARG A 18 10.346 7.400 -1.724 1.00 55.43 H new ATOM 0 HG3 ARG A 18 9.012 6.955 -0.679 1.00 55.43 H new ATOM 0 HD2 ARG A 18 10.198 8.870 0.260 1.00 30.00 H new ATOM 0 HD3 ARG A 18 10.371 7.483 1.317 1.00 30.00 H new ATOM 0 HE ARG A 18 12.589 7.633 -0.539 1.00 21.12 H new ATOM 0 HH11 ARG A 18 11.301 8.999 2.464 1.00 60.40 H new ATOM 0 HH12 ARG A 18 12.886 9.528 3.038 1.00 60.40 H new ATOM 0 HH21 ARG A 18 14.616 8.323 0.206 1.00 74.14 H new ATOM 0 HH22 ARG A 18 14.757 9.146 1.763 1.00 74.14 H new ATOM 276 N LEU A 19 9.292 5.115 -3.857 1.00 14.42 N ATOM 277 CA LEU A 19 9.316 5.654 -5.200 1.00 3.11 C ATOM 278 C LEU A 19 8.254 6.719 -5.278 1.00 34.03 C ATOM 279 O LEU A 19 7.080 6.409 -5.435 1.00 53.24 O ATOM 280 CB LEU A 19 9.086 4.575 -6.300 1.00 14.34 C ATOM 281 CG LEU A 19 10.236 3.574 -6.598 1.00 70.23 C ATOM 282 CD1 LEU A 19 10.585 2.704 -5.407 1.00 25.02 C ATOM 283 CD2 LEU A 19 9.883 2.712 -7.795 1.00 20.30 C ATOM 0 H LEU A 19 8.379 4.758 -3.577 1.00 14.42 H new ATOM 0 HA LEU A 19 10.308 6.062 -5.394 1.00 3.11 H new ATOM 0 HB2 LEU A 19 8.205 3.997 -6.020 1.00 14.34 H new ATOM 0 HB3 LEU A 19 8.846 5.092 -7.229 1.00 14.34 H new ATOM 0 HG LEU A 19 11.122 4.168 -6.823 1.00 70.23 H new ATOM 0 HD11 LEU A 19 11.395 2.026 -5.677 1.00 25.02 H new ATOM 0 HD12 LEU A 19 10.901 3.335 -4.576 1.00 25.02 H new ATOM 0 HD13 LEU A 19 9.710 2.125 -5.111 1.00 25.02 H new ATOM 0 HD21 LEU A 19 10.697 2.015 -7.994 1.00 20.30 H new ATOM 0 HD22 LEU A 19 8.970 2.154 -7.585 1.00 20.30 H new ATOM 0 HD23 LEU A 19 9.728 3.347 -8.667 1.00 20.30 H new ATOM 295 N PRO A 20 8.638 7.989 -5.104 1.00 61.32 N ATOM 296 CA PRO A 20 7.681 9.086 -5.052 1.00 41.15 C ATOM 297 C PRO A 20 6.887 9.253 -6.343 1.00 55.43 C ATOM 298 O PRO A 20 7.431 9.163 -7.462 1.00 61.31 O ATOM 299 CB PRO A 20 8.556 10.324 -4.806 1.00 53.54 C ATOM 300 CG PRO A 20 9.844 9.784 -4.290 1.00 11.31 C ATOM 301 CD PRO A 20 10.021 8.457 -4.945 1.00 70.44 C ATOM 0 HA PRO A 20 6.929 8.913 -4.282 1.00 41.15 H new ATOM 0 HB2 PRO A 20 8.705 10.892 -5.724 1.00 53.54 H new ATOM 0 HB3 PRO A 20 8.093 10.999 -4.086 1.00 53.54 H new ATOM 0 HG2 PRO A 20 10.672 10.452 -4.530 1.00 11.31 H new ATOM 0 HG3 PRO A 20 9.819 9.684 -3.205 1.00 11.31 H new ATOM 0 HD2 PRO A 20 10.532 8.544 -5.904 1.00 70.44 H new ATOM 0 HD3 PRO A 20 10.610 7.777 -4.330 1.00 70.44 H new ATOM 309 N VAL A 21 5.622 9.538 -6.175 1.00 41.04 N ATOM 310 CA VAL A 21 4.706 9.757 -7.262 1.00 73.41 C ATOM 311 C VAL A 21 3.937 11.025 -6.977 1.00 15.15 C ATOM 312 O VAL A 21 3.685 11.355 -5.806 1.00 62.41 O ATOM 313 CB VAL A 21 3.712 8.566 -7.472 1.00 31.41 C ATOM 314 CG1 VAL A 21 4.459 7.289 -7.817 1.00 55.01 C ATOM 315 CG2 VAL A 21 2.827 8.346 -6.247 1.00 70.40 C ATOM 0 H VAL A 21 5.190 9.626 -5.255 1.00 41.04 H new ATOM 0 HA VAL A 21 5.283 9.840 -8.183 1.00 73.41 H new ATOM 0 HB VAL A 21 3.066 8.830 -8.309 1.00 31.41 H new ATOM 0 HG11 VAL A 21 3.746 6.477 -7.958 1.00 55.01 H new ATOM 0 HG12 VAL A 21 5.027 7.437 -8.736 1.00 55.01 H new ATOM 0 HG13 VAL A 21 5.141 7.036 -7.005 1.00 55.01 H new ATOM 0 HG21 VAL A 21 2.151 7.511 -6.432 1.00 70.40 H new ATOM 0 HG22 VAL A 21 3.452 8.123 -5.382 1.00 70.40 H new ATOM 0 HG23 VAL A 21 2.246 9.247 -6.052 1.00 70.40 H new ATOM 325 N SER A 22 3.573 11.734 -8.003 1.00 53.04 N ATOM 326 CA SER A 22 2.911 12.989 -7.825 1.00 44.14 C ATOM 327 C SER A 22 1.403 12.775 -7.583 1.00 41.14 C ATOM 328 O SER A 22 0.733 13.625 -6.979 1.00 51.13 O ATOM 329 CB SER A 22 3.172 13.890 -9.050 1.00 53.34 C ATOM 330 OG SER A 22 2.748 15.229 -8.830 1.00 64.51 O ATOM 0 H SER A 22 3.724 11.463 -8.975 1.00 53.04 H new ATOM 0 HA SER A 22 3.311 13.490 -6.943 1.00 44.14 H new ATOM 0 HB2 SER A 22 4.236 13.881 -9.285 1.00 53.34 H new ATOM 0 HB3 SER A 22 2.651 13.483 -9.916 1.00 53.34 H new ATOM 0 HG SER A 22 2.933 15.766 -9.629 1.00 64.51 H new ATOM 336 N ARG A 23 0.880 11.633 -8.023 1.00 61.15 N ATOM 337 CA ARG A 23 -0.538 11.343 -7.879 1.00 31.14 C ATOM 338 C ARG A 23 -0.748 9.834 -7.762 1.00 33.05 C ATOM 339 O ARG A 23 -0.140 9.068 -8.517 1.00 75.21 O ATOM 340 CB ARG A 23 -1.296 11.870 -9.121 1.00 32.23 C ATOM 341 CG ARG A 23 -2.815 11.744 -9.060 1.00 33.24 C ATOM 342 CD ARG A 23 -3.384 12.605 -7.954 1.00 1.03 C ATOM 343 NE ARG A 23 -4.840 12.500 -7.843 1.00 73.12 N ATOM 344 CZ ARG A 23 -5.560 13.121 -6.899 1.00 24.34 C ATOM 345 NH1 ARG A 23 -4.948 13.910 -6.011 1.00 2.24 N ATOM 346 NH2 ARG A 23 -6.883 12.945 -6.835 1.00 41.32 N ATOM 0 H ARG A 23 1.418 10.897 -8.481 1.00 61.15 H new ATOM 0 HA ARG A 23 -0.917 11.830 -6.981 1.00 31.14 H new ATOM 0 HB2 ARG A 23 -1.041 12.920 -9.264 1.00 32.23 H new ATOM 0 HB3 ARG A 23 -0.938 11.333 -9.999 1.00 32.23 H new ATOM 0 HG2 ARG A 23 -3.247 12.040 -10.016 1.00 33.24 H new ATOM 0 HG3 ARG A 23 -3.091 10.703 -8.894 1.00 33.24 H new ATOM 0 HD2 ARG A 23 -2.931 12.316 -7.006 1.00 1.03 H new ATOM 0 HD3 ARG A 23 -3.112 13.645 -8.134 1.00 1.03 H new ATOM 0 HE ARG A 23 -5.334 11.922 -8.523 1.00 73.12 H new ATOM 0 HH11 ARG A 23 -3.937 14.037 -6.054 1.00 2.24 H new ATOM 0 HH12 ARG A 23 -5.492 14.385 -5.291 1.00 2.24 H new ATOM 0 HH21 ARG A 23 -7.349 12.335 -7.507 1.00 41.32 H new ATOM 0 HH22 ARG A 23 -7.426 13.420 -6.114 1.00 41.32 H new ATOM 360 N ILE A 24 -1.587 9.411 -6.819 1.00 41.04 N ATOM 361 CA ILE A 24 -1.940 8.003 -6.683 1.00 73.25 C ATOM 362 C ILE A 24 -3.018 7.748 -7.705 1.00 21.22 C ATOM 363 O ILE A 24 -4.160 8.215 -7.570 1.00 52.11 O ATOM 364 CB ILE A 24 -2.491 7.653 -5.258 1.00 44.21 C ATOM 365 CG1 ILE A 24 -1.516 8.093 -4.136 1.00 43.33 C ATOM 366 CG2 ILE A 24 -2.781 6.156 -5.150 1.00 53.02 C ATOM 367 CD1 ILE A 24 -0.164 7.441 -4.175 1.00 53.54 C ATOM 0 H ILE A 24 -2.034 10.025 -6.138 1.00 41.04 H new ATOM 0 HA ILE A 24 -1.053 7.387 -6.831 1.00 73.25 H new ATOM 0 HB ILE A 24 -3.420 8.208 -5.123 1.00 44.21 H new ATOM 0 HG12 ILE A 24 -1.383 9.173 -4.195 1.00 43.33 H new ATOM 0 HG13 ILE A 24 -1.977 7.880 -3.171 1.00 43.33 H new ATOM 0 HG21 ILE A 24 -3.163 5.930 -4.154 1.00 53.02 H new ATOM 0 HG22 ILE A 24 -3.524 5.875 -5.896 1.00 53.02 H new ATOM 0 HG23 ILE A 24 -1.863 5.594 -5.323 1.00 53.02 H new ATOM 0 HD11 ILE A 24 0.444 7.814 -3.351 1.00 53.54 H new ATOM 0 HD12 ILE A 24 -0.278 6.361 -4.082 1.00 53.54 H new ATOM 0 HD13 ILE A 24 0.325 7.674 -5.121 1.00 53.54 H new ATOM 379 N LYS A 25 -2.673 7.058 -8.727 1.00 23.43 N ATOM 380 CA LYS A 25 -3.568 6.893 -9.821 1.00 32.22 C ATOM 381 C LYS A 25 -3.882 5.454 -10.061 1.00 74.31 C ATOM 382 O LYS A 25 -3.103 4.568 -9.687 1.00 11.12 O ATOM 383 CB LYS A 25 -2.963 7.533 -11.051 1.00 33.11 C ATOM 384 CG LYS A 25 -1.653 6.929 -11.486 1.00 12.34 C ATOM 385 CD LYS A 25 -1.046 7.763 -12.568 1.00 24.45 C ATOM 386 CE LYS A 25 -0.582 9.097 -12.007 1.00 52.12 C ATOM 387 NZ LYS A 25 -0.383 10.118 -13.041 1.00 73.30 N ATOM 0 H LYS A 25 -1.771 6.593 -8.834 1.00 23.43 H new ATOM 0 HA LYS A 25 -4.512 7.384 -9.584 1.00 32.22 H new ATOM 0 HB2 LYS A 25 -3.675 7.457 -11.873 1.00 33.11 H new ATOM 0 HB3 LYS A 25 -2.813 8.595 -10.857 1.00 33.11 H new ATOM 0 HG2 LYS A 25 -0.972 6.865 -10.638 1.00 12.34 H new ATOM 0 HG3 LYS A 25 -1.812 5.912 -11.844 1.00 12.34 H new ATOM 0 HD2 LYS A 25 -0.203 7.235 -13.014 1.00 24.45 H new ATOM 0 HD3 LYS A 25 -1.775 7.928 -13.362 1.00 24.45 H new ATOM 0 HE2 LYS A 25 -1.317 9.457 -11.286 1.00 52.12 H new ATOM 0 HE3 LYS A 25 0.352 8.951 -11.464 1.00 52.12 H new ATOM 0 HZ1 LYS A 25 -0.453 11.063 -12.613 1.00 73.30 H new ATOM 0 HZ2 LYS A 25 0.558 10.000 -13.468 1.00 73.30 H new ATOM 0 HZ3 LYS A 25 -1.112 10.015 -13.775 1.00 73.30 H new ATOM 401 N THR A 26 -5.016 5.223 -10.669 1.00 33.20 N ATOM 402 CA THR A 26 -5.449 3.915 -10.983 1.00 24.53 C ATOM 403 C THR A 26 -5.751 3.751 -12.466 1.00 62.50 C ATOM 404 O THR A 26 -6.469 4.558 -13.075 1.00 51.45 O ATOM 405 CB THR A 26 -6.652 3.463 -10.111 1.00 2.54 C ATOM 406 OG1 THR A 26 -7.654 4.492 -10.051 1.00 1.03 O ATOM 407 CG2 THR A 26 -6.215 3.084 -8.708 1.00 61.41 C ATOM 0 H THR A 26 -5.663 5.957 -10.958 1.00 33.20 H new ATOM 0 HA THR A 26 -4.615 3.256 -10.745 1.00 24.53 H new ATOM 0 HB THR A 26 -7.079 2.579 -10.584 1.00 2.54 H new ATOM 0 HG1 THR A 26 -8.404 4.187 -9.499 1.00 1.03 H new ATOM 0 HG21 THR A 26 -7.084 2.773 -8.128 1.00 61.41 H new ATOM 0 HG22 THR A 26 -5.500 2.263 -8.759 1.00 61.41 H new ATOM 0 HG23 THR A 26 -5.747 3.943 -8.228 1.00 61.41 H new ATOM 415 N TYR A 27 -5.188 2.723 -13.032 1.00 35.41 N ATOM 416 CA TYR A 27 -5.412 2.368 -14.414 1.00 13.01 C ATOM 417 C TYR A 27 -6.253 1.127 -14.452 1.00 13.52 C ATOM 418 O TYR A 27 -6.100 0.254 -13.597 1.00 32.12 O ATOM 419 CB TYR A 27 -4.070 2.131 -15.148 1.00 14.44 C ATOM 420 CG TYR A 27 -3.257 3.390 -15.400 1.00 74.33 C ATOM 421 CD1 TYR A 27 -2.393 3.906 -14.439 1.00 24.34 C ATOM 422 CD2 TYR A 27 -3.367 4.068 -16.606 1.00 30.43 C ATOM 423 CE1 TYR A 27 -1.664 5.060 -14.684 1.00 11.15 C ATOM 424 CE2 TYR A 27 -2.650 5.214 -16.857 1.00 2.33 C ATOM 425 CZ TYR A 27 -1.802 5.712 -15.898 1.00 71.02 C ATOM 426 OH TYR A 27 -1.087 6.879 -16.154 1.00 2.20 O ATOM 0 H TYR A 27 -4.550 2.095 -12.544 1.00 35.41 H new ATOM 0 HA TYR A 27 -5.925 3.185 -14.922 1.00 13.01 H new ATOM 0 HB2 TYR A 27 -3.468 1.437 -14.562 1.00 14.44 H new ATOM 0 HB3 TYR A 27 -4.274 1.648 -16.104 1.00 14.44 H new ATOM 0 HD1 TYR A 27 -2.289 3.401 -13.490 1.00 24.34 H new ATOM 0 HD2 TYR A 27 -4.032 3.686 -17.366 1.00 30.43 H new ATOM 0 HE1 TYR A 27 -0.993 5.448 -13.932 1.00 11.15 H new ATOM 0 HE2 TYR A 27 -2.753 5.721 -17.805 1.00 2.33 H new ATOM 0 HH TYR A 27 -0.147 6.746 -15.912 1.00 2.20 H new ATOM 436 N THR A 28 -7.155 1.052 -15.394 1.00 40.52 N ATOM 437 CA THR A 28 -8.007 -0.088 -15.508 1.00 2.43 C ATOM 438 C THR A 28 -7.790 -0.849 -16.798 1.00 44.42 C ATOM 439 O THR A 28 -7.883 -0.300 -17.897 1.00 31.54 O ATOM 440 CB THR A 28 -9.501 0.237 -15.305 1.00 74.45 C ATOM 441 OG1 THR A 28 -9.888 1.373 -16.094 1.00 23.23 O ATOM 442 CG2 THR A 28 -9.836 0.466 -13.841 1.00 24.31 C ATOM 0 H THR A 28 -7.315 1.775 -16.095 1.00 40.52 H new ATOM 0 HA THR A 28 -7.713 -0.739 -14.684 1.00 2.43 H new ATOM 0 HB THR A 28 -10.069 -0.631 -15.641 1.00 74.45 H new ATOM 0 HG1 THR A 28 -10.839 1.561 -15.952 1.00 23.23 H new ATOM 0 HG21 THR A 28 -10.898 0.692 -13.742 1.00 24.31 H new ATOM 0 HG22 THR A 28 -9.601 -0.432 -13.269 1.00 24.31 H new ATOM 0 HG23 THR A 28 -9.250 1.302 -13.460 1.00 24.31 H new ATOM 450 N ILE A 29 -7.490 -2.103 -16.646 1.00 51.13 N ATOM 451 CA ILE A 29 -7.257 -3.009 -17.745 1.00 1.12 C ATOM 452 C ILE A 29 -8.498 -3.882 -17.922 1.00 62.22 C ATOM 453 O ILE A 29 -9.039 -4.366 -16.948 1.00 51.03 O ATOM 454 CB ILE A 29 -6.043 -3.897 -17.419 1.00 11.43 C ATOM 455 CG1 ILE A 29 -4.794 -3.046 -17.238 1.00 22.41 C ATOM 456 CG2 ILE A 29 -5.822 -4.921 -18.488 1.00 64.11 C ATOM 457 CD1 ILE A 29 -3.580 -3.803 -16.791 1.00 53.44 C ATOM 0 H ILE A 29 -7.396 -2.543 -15.731 1.00 51.13 H new ATOM 0 HA ILE A 29 -7.059 -2.453 -18.661 1.00 1.12 H new ATOM 0 HB ILE A 29 -6.251 -4.420 -16.485 1.00 11.43 H new ATOM 0 HG12 ILE A 29 -4.569 -2.550 -18.182 1.00 22.41 H new ATOM 0 HG13 ILE A 29 -5.006 -2.264 -16.509 1.00 22.41 H new ATOM 0 HG21 ILE A 29 -4.958 -5.534 -18.231 1.00 64.11 H new ATOM 0 HG22 ILE A 29 -6.705 -5.555 -18.573 1.00 64.11 H new ATOM 0 HG23 ILE A 29 -5.642 -4.421 -19.440 1.00 64.11 H new ATOM 0 HD11 ILE A 29 -2.740 -3.116 -16.689 1.00 53.44 H new ATOM 0 HD12 ILE A 29 -3.780 -4.277 -15.830 1.00 53.44 H new ATOM 0 HD13 ILE A 29 -3.336 -4.567 -17.529 1.00 53.44 H new ATOM 469 N THR A 30 -8.939 -4.070 -19.138 1.00 10.20 N ATOM 470 CA THR A 30 -10.172 -4.817 -19.400 1.00 73.45 C ATOM 471 C THR A 30 -10.001 -5.832 -20.526 1.00 73.24 C ATOM 472 O THR A 30 -10.961 -6.197 -21.202 1.00 60.43 O ATOM 473 CB THR A 30 -11.327 -3.860 -19.756 1.00 25.23 C ATOM 474 OG1 THR A 30 -10.929 -2.961 -20.816 1.00 35.20 O ATOM 475 CG2 THR A 30 -11.797 -3.061 -18.545 1.00 30.10 C ATOM 0 H THR A 30 -8.471 -3.721 -19.974 1.00 10.20 H new ATOM 0 HA THR A 30 -10.409 -5.357 -18.483 1.00 73.45 H new ATOM 0 HB THR A 30 -12.162 -4.472 -20.096 1.00 25.23 H new ATOM 0 HG1 THR A 30 -11.673 -2.361 -21.032 1.00 35.20 H new ATOM 0 HG21 THR A 30 -12.611 -2.399 -18.840 1.00 30.10 H new ATOM 0 HG22 THR A 30 -12.147 -3.745 -17.771 1.00 30.10 H new ATOM 0 HG23 THR A 30 -10.969 -2.467 -18.157 1.00 30.10 H new ATOM 483 N GLU A 31 -8.812 -6.337 -20.653 1.00 55.45 N ATOM 484 CA GLU A 31 -8.424 -7.164 -21.793 1.00 65.23 C ATOM 485 C GLU A 31 -9.078 -8.552 -21.794 1.00 11.24 C ATOM 486 O GLU A 31 -8.618 -9.465 -21.097 1.00 75.13 O ATOM 487 CB GLU A 31 -6.906 -7.321 -21.830 1.00 5.32 C ATOM 488 CG GLU A 31 -6.164 -6.025 -21.582 1.00 53.24 C ATOM 489 CD GLU A 31 -6.602 -4.907 -22.489 1.00 72.20 C ATOM 490 OE1 GLU A 31 -6.148 -4.858 -23.632 1.00 74.21 O ATOM 491 OE2 GLU A 31 -7.411 -4.059 -22.063 1.00 54.34 O ATOM 0 H GLU A 31 -8.066 -6.195 -19.972 1.00 55.45 H new ATOM 0 HA GLU A 31 -8.780 -6.644 -22.682 1.00 65.23 H new ATOM 0 HB2 GLU A 31 -6.605 -8.053 -21.081 1.00 5.32 H new ATOM 0 HB3 GLU A 31 -6.612 -7.720 -22.801 1.00 5.32 H new ATOM 0 HG2 GLU A 31 -6.312 -5.722 -20.545 1.00 53.24 H new ATOM 0 HG3 GLU A 31 -5.096 -6.195 -21.715 1.00 53.24 H new ATOM 498 N GLY A 32 -10.135 -8.700 -22.583 1.00 13.02 N ATOM 499 CA GLY A 32 -10.798 -9.985 -22.732 1.00 32.22 C ATOM 500 C GLY A 32 -11.662 -10.324 -21.550 1.00 3.21 C ATOM 501 O GLY A 32 -11.496 -11.391 -20.947 1.00 73.43 O ATOM 0 H GLY A 32 -10.550 -7.945 -23.129 1.00 13.02 H new ATOM 0 HA2 GLY A 32 -11.410 -9.973 -23.634 1.00 32.22 H new ATOM 0 HA3 GLY A 32 -10.048 -10.764 -22.866 1.00 32.22 H new ATOM 505 N SER A 33 -12.585 -9.412 -21.224 1.00 12.03 N ATOM 506 CA SER A 33 -13.488 -9.549 -20.081 1.00 4.25 C ATOM 507 C SER A 33 -12.668 -9.657 -18.792 1.00 54.14 C ATOM 508 O SER A 33 -12.407 -10.748 -18.271 1.00 31.33 O ATOM 509 CB SER A 33 -14.456 -10.736 -20.265 1.00 60.04 C ATOM 510 OG SER A 33 -15.182 -10.605 -21.502 1.00 64.00 O ATOM 0 H SER A 33 -12.726 -8.551 -21.753 1.00 12.03 H new ATOM 0 HA SER A 33 -14.114 -8.659 -20.011 1.00 4.25 H new ATOM 0 HB2 SER A 33 -13.898 -11.672 -20.261 1.00 60.04 H new ATOM 0 HB3 SER A 33 -15.154 -10.777 -19.429 1.00 60.04 H new ATOM 0 HG SER A 33 -15.791 -11.366 -21.606 1.00 64.00 H new ATOM 516 N LEU A 34 -12.213 -8.522 -18.342 1.00 20.44 N ATOM 517 CA LEU A 34 -11.295 -8.435 -17.254 1.00 62.32 C ATOM 518 C LEU A 34 -11.387 -7.040 -16.690 1.00 13.22 C ATOM 519 O LEU A 34 -11.705 -6.125 -17.415 1.00 54.43 O ATOM 520 CB LEU A 34 -9.876 -8.671 -17.842 1.00 12.25 C ATOM 521 CG LEU A 34 -8.665 -8.603 -16.906 1.00 73.45 C ATOM 522 CD1 LEU A 34 -8.741 -9.676 -15.843 1.00 72.41 C ATOM 523 CD2 LEU A 34 -7.379 -8.745 -17.707 1.00 42.51 C ATOM 0 H LEU A 34 -12.478 -7.617 -18.732 1.00 20.44 H new ATOM 0 HA LEU A 34 -11.508 -9.163 -16.471 1.00 62.32 H new ATOM 0 HB2 LEU A 34 -9.874 -9.654 -18.312 1.00 12.25 H new ATOM 0 HB3 LEU A 34 -9.722 -7.938 -18.634 1.00 12.25 H new ATOM 0 HG LEU A 34 -8.670 -7.633 -16.409 1.00 73.45 H new ATOM 0 HD11 LEU A 34 -7.870 -9.606 -15.192 1.00 72.41 H new ATOM 0 HD12 LEU A 34 -9.647 -9.540 -15.253 1.00 72.41 H new ATOM 0 HD13 LEU A 34 -8.761 -10.657 -16.317 1.00 72.41 H new ATOM 0 HD21 LEU A 34 -6.523 -8.695 -17.033 1.00 42.51 H new ATOM 0 HD22 LEU A 34 -7.377 -9.704 -18.226 1.00 42.51 H new ATOM 0 HD23 LEU A 34 -7.314 -7.938 -18.436 1.00 42.51 H new ATOM 535 N ARG A 35 -11.197 -6.880 -15.415 1.00 11.23 N ATOM 536 CA ARG A 35 -11.055 -5.547 -14.856 1.00 20.14 C ATOM 537 C ARG A 35 -9.880 -5.519 -13.952 1.00 35.10 C ATOM 538 O ARG A 35 -9.893 -6.127 -12.907 1.00 51.13 O ATOM 539 CB ARG A 35 -12.292 -5.070 -14.091 1.00 52.20 C ATOM 540 CG ARG A 35 -13.516 -4.800 -14.934 1.00 62.23 C ATOM 541 CD ARG A 35 -14.620 -4.242 -14.066 1.00 23.20 C ATOM 542 NE ARG A 35 -15.860 -4.005 -14.819 1.00 72.33 N ATOM 543 CZ ARG A 35 -17.020 -3.588 -14.289 1.00 23.15 C ATOM 544 NH1 ARG A 35 -17.123 -3.343 -12.977 1.00 50.21 N ATOM 545 NH2 ARG A 35 -18.068 -3.410 -15.080 1.00 31.12 N ATOM 0 H ARG A 35 -11.135 -7.641 -14.738 1.00 11.23 H new ATOM 0 HA ARG A 35 -10.923 -4.866 -15.697 1.00 20.14 H new ATOM 0 HB2 ARG A 35 -12.546 -5.821 -13.343 1.00 52.20 H new ATOM 0 HB3 ARG A 35 -12.035 -4.158 -13.553 1.00 52.20 H new ATOM 0 HG2 ARG A 35 -13.274 -4.095 -15.729 1.00 62.23 H new ATOM 0 HG3 ARG A 35 -13.848 -5.720 -15.415 1.00 62.23 H new ATOM 0 HD2 ARG A 35 -14.821 -4.935 -13.249 1.00 23.20 H new ATOM 0 HD3 ARG A 35 -14.287 -3.307 -13.616 1.00 23.20 H new ATOM 0 HE ARG A 35 -15.837 -4.171 -15.825 1.00 72.33 H new ATOM 0 HH11 ARG A 35 -16.314 -3.473 -12.369 1.00 50.21 H new ATOM 0 HH12 ARG A 35 -18.010 -3.026 -12.585 1.00 50.21 H new ATOM 0 HH21 ARG A 35 -17.988 -3.590 -16.081 1.00 31.12 H new ATOM 0 HH22 ARG A 35 -18.955 -3.093 -14.688 1.00 31.12 H new ATOM 559 N CYS A 36 -8.875 -4.830 -14.333 1.00 23.01 N ATOM 560 CA CYS A 36 -7.704 -4.759 -13.530 1.00 21.10 C ATOM 561 C CYS A 36 -7.516 -3.353 -13.110 1.00 62.21 C ATOM 562 O CYS A 36 -7.657 -2.458 -13.914 1.00 51.12 O ATOM 563 CB CYS A 36 -6.483 -5.221 -14.290 1.00 2.24 C ATOM 564 SG CYS A 36 -5.139 -5.823 -13.210 1.00 61.40 S ATOM 0 H CYS A 36 -8.833 -4.300 -15.203 1.00 23.01 H new ATOM 0 HA CYS A 36 -7.827 -5.413 -12.667 1.00 21.10 H new ATOM 0 HB2 CYS A 36 -6.771 -6.017 -14.976 1.00 2.24 H new ATOM 0 HB3 CYS A 36 -6.109 -4.397 -14.897 1.00 2.24 H new ATOM 569 N VAL A 37 -7.233 -3.160 -11.873 1.00 43.11 N ATOM 570 CA VAL A 37 -7.035 -1.852 -11.342 1.00 23.24 C ATOM 571 C VAL A 37 -5.615 -1.761 -10.849 1.00 1.21 C ATOM 572 O VAL A 37 -5.161 -2.627 -10.098 1.00 12.43 O ATOM 573 CB VAL A 37 -8.014 -1.569 -10.187 1.00 35.52 C ATOM 574 CG1 VAL A 37 -7.905 -0.130 -9.724 1.00 43.03 C ATOM 575 CG2 VAL A 37 -9.438 -1.910 -10.594 1.00 53.11 C ATOM 0 H VAL A 37 -7.130 -3.911 -11.190 1.00 43.11 H new ATOM 0 HA VAL A 37 -7.221 -1.110 -12.119 1.00 23.24 H new ATOM 0 HB VAL A 37 -7.743 -2.208 -9.346 1.00 35.52 H new ATOM 0 HG11 VAL A 37 -8.607 0.044 -8.908 1.00 43.03 H new ATOM 0 HG12 VAL A 37 -6.890 0.065 -9.378 1.00 43.03 H new ATOM 0 HG13 VAL A 37 -8.140 0.538 -10.553 1.00 43.03 H new ATOM 0 HG21 VAL A 37 -10.113 -1.703 -9.764 1.00 53.11 H new ATOM 0 HG22 VAL A 37 -9.725 -1.306 -11.455 1.00 53.11 H new ATOM 0 HG23 VAL A 37 -9.499 -2.966 -10.856 1.00 53.11 H new ATOM 585 N ILE A 38 -4.926 -0.749 -11.277 1.00 53.12 N ATOM 586 CA ILE A 38 -3.535 -0.571 -10.951 1.00 41.22 C ATOM 587 C ILE A 38 -3.375 0.686 -10.132 1.00 74.24 C ATOM 588 O ILE A 38 -3.676 1.756 -10.604 1.00 44.04 O ATOM 589 CB ILE A 38 -2.729 -0.377 -12.253 1.00 40.31 C ATOM 590 CG1 ILE A 38 -2.966 -1.548 -13.209 1.00 13.51 C ATOM 591 CG2 ILE A 38 -1.235 -0.212 -11.950 1.00 4.21 C ATOM 592 CD1 ILE A 38 -2.374 -1.338 -14.573 1.00 11.45 C ATOM 0 H ILE A 38 -5.312 -0.013 -11.869 1.00 53.12 H new ATOM 0 HA ILE A 38 -3.182 -1.443 -10.401 1.00 41.22 H new ATOM 0 HB ILE A 38 -3.075 0.536 -12.738 1.00 40.31 H new ATOM 0 HG12 ILE A 38 -2.543 -2.453 -12.774 1.00 13.51 H new ATOM 0 HG13 ILE A 38 -4.039 -1.714 -13.309 1.00 13.51 H new ATOM 0 HG21 ILE A 38 -0.687 -0.077 -12.883 1.00 4.21 H new ATOM 0 HG22 ILE A 38 -1.087 0.660 -11.313 1.00 4.21 H new ATOM 0 HG23 ILE A 38 -0.867 -1.102 -11.439 1.00 4.21 H new ATOM 0 HD11 ILE A 38 -2.581 -2.207 -15.197 1.00 11.45 H new ATOM 0 HD12 ILE A 38 -2.815 -0.451 -15.028 1.00 11.45 H new ATOM 0 HD13 ILE A 38 -1.296 -1.203 -14.485 1.00 11.45 H new ATOM 604 N PHE A 39 -2.906 0.539 -8.933 1.00 64.30 N ATOM 605 CA PHE A 39 -2.655 1.654 -8.042 1.00 2.44 C ATOM 606 C PHE A 39 -1.197 1.983 -8.059 1.00 64.53 C ATOM 607 O PHE A 39 -0.375 1.157 -7.646 1.00 3.10 O ATOM 608 CB PHE A 39 -3.027 1.307 -6.592 1.00 75.43 C ATOM 609 CG PHE A 39 -4.488 1.153 -6.299 1.00 53.11 C ATOM 610 CD1 PHE A 39 -5.192 0.020 -6.683 1.00 54.42 C ATOM 611 CD2 PHE A 39 -5.156 2.155 -5.624 1.00 24.21 C ATOM 612 CE1 PHE A 39 -6.539 -0.100 -6.395 1.00 2.13 C ATOM 613 CE2 PHE A 39 -6.491 2.046 -5.334 1.00 70.01 C ATOM 614 CZ PHE A 39 -7.193 0.916 -5.719 1.00 12.20 C ATOM 0 H PHE A 39 -2.679 -0.370 -8.529 1.00 64.30 H new ATOM 0 HA PHE A 39 -3.261 2.492 -8.385 1.00 2.44 H new ATOM 0 HB2 PHE A 39 -2.525 0.378 -6.323 1.00 75.43 H new ATOM 0 HB3 PHE A 39 -2.628 2.085 -5.941 1.00 75.43 H new ATOM 0 HD1 PHE A 39 -4.684 -0.774 -7.211 1.00 54.42 H new ATOM 0 HD2 PHE A 39 -4.617 3.040 -5.319 1.00 24.21 H new ATOM 0 HE1 PHE A 39 -7.080 -0.985 -6.697 1.00 2.13 H new ATOM 0 HE2 PHE A 39 -6.996 2.841 -4.805 1.00 70.01 H new ATOM 0 HZ PHE A 39 -8.245 0.828 -5.493 1.00 12.20 H new ATOM 624 N ILE A 40 -0.852 3.147 -8.534 1.00 41.00 N ATOM 625 CA ILE A 40 0.520 3.555 -8.456 1.00 62.23 C ATOM 626 C ILE A 40 0.635 4.368 -7.199 1.00 60.52 C ATOM 627 O ILE A 40 -0.023 5.405 -7.077 1.00 71.24 O ATOM 628 CB ILE A 40 0.955 4.464 -9.637 1.00 15.34 C ATOM 629 CG1 ILE A 40 0.383 3.955 -10.956 1.00 63.51 C ATOM 630 CG2 ILE A 40 2.477 4.524 -9.704 1.00 1.05 C ATOM 631 CD1 ILE A 40 0.942 4.646 -12.175 1.00 14.01 C ATOM 0 H ILE A 40 -1.487 3.816 -8.970 1.00 41.00 H new ATOM 0 HA ILE A 40 1.152 2.668 -8.479 1.00 62.23 H new ATOM 0 HB ILE A 40 0.564 5.467 -9.468 1.00 15.34 H new ATOM 0 HG12 ILE A 40 0.578 2.886 -11.036 1.00 63.51 H new ATOM 0 HG13 ILE A 40 -0.700 4.082 -10.944 1.00 63.51 H new ATOM 0 HG21 ILE A 40 2.780 5.163 -10.534 1.00 1.05 H new ATOM 0 HG22 ILE A 40 2.866 4.932 -8.771 1.00 1.05 H new ATOM 0 HG23 ILE A 40 2.874 3.520 -9.855 1.00 1.05 H new ATOM 0 HD11 ILE A 40 0.485 4.228 -13.072 1.00 14.01 H new ATOM 0 HD12 ILE A 40 0.724 5.713 -12.121 1.00 14.01 H new ATOM 0 HD13 ILE A 40 2.021 4.498 -12.214 1.00 14.01 H new ATOM 643 N THR A 41 1.421 3.919 -6.256 1.00 1.22 N ATOM 644 CA THR A 41 1.557 4.649 -5.051 1.00 2.52 C ATOM 645 C THR A 41 3.022 4.899 -4.787 1.00 63.50 C ATOM 646 O THR A 41 3.884 4.279 -5.410 1.00 10.13 O ATOM 647 CB THR A 41 0.928 3.930 -3.823 1.00 23.23 C ATOM 648 OG1 THR A 41 1.692 2.777 -3.455 1.00 44.23 O ATOM 649 CG2 THR A 41 -0.503 3.489 -4.084 1.00 65.23 C ATOM 0 H THR A 41 1.966 3.059 -6.310 1.00 1.22 H new ATOM 0 HA THR A 41 1.015 5.586 -5.181 1.00 2.52 H new ATOM 0 HB THR A 41 0.932 4.659 -3.013 1.00 23.23 H new ATOM 0 HG1 THR A 41 2.109 2.392 -4.254 1.00 44.23 H new ATOM 0 HG21 THR A 41 -0.898 2.992 -3.198 1.00 65.23 H new ATOM 0 HG22 THR A 41 -1.116 4.360 -4.315 1.00 65.23 H new ATOM 0 HG23 THR A 41 -0.523 2.798 -4.926 1.00 65.23 H new ATOM 657 N LYS A 42 3.304 5.771 -3.854 1.00 11.34 N ATOM 658 CA LYS A 42 4.686 6.121 -3.537 1.00 61.24 C ATOM 659 C LYS A 42 5.485 5.016 -2.796 1.00 42.21 C ATOM 660 O LYS A 42 6.695 5.139 -2.598 1.00 44.31 O ATOM 661 CB LYS A 42 4.804 7.534 -2.900 1.00 70.24 C ATOM 662 CG LYS A 42 3.880 7.826 -1.711 1.00 10.14 C ATOM 663 CD LYS A 42 4.206 6.997 -0.492 1.00 24.33 C ATOM 664 CE LYS A 42 3.284 7.341 0.662 1.00 54.55 C ATOM 665 NZ LYS A 42 3.651 6.627 1.898 1.00 62.14 N ATOM 0 H LYS A 42 2.604 6.258 -3.294 1.00 11.34 H new ATOM 0 HA LYS A 42 5.196 6.182 -4.498 1.00 61.24 H new ATOM 0 HB2 LYS A 42 5.835 7.677 -2.575 1.00 70.24 H new ATOM 0 HB3 LYS A 42 4.608 8.275 -3.675 1.00 70.24 H new ATOM 0 HG2 LYS A 42 3.951 8.883 -1.454 1.00 10.14 H new ATOM 0 HG3 LYS A 42 2.848 7.638 -2.006 1.00 10.14 H new ATOM 0 HD2 LYS A 42 4.113 5.938 -0.733 1.00 24.33 H new ATOM 0 HD3 LYS A 42 5.242 7.168 -0.198 1.00 24.33 H new ATOM 0 HE2 LYS A 42 3.315 8.416 0.842 1.00 54.55 H new ATOM 0 HE3 LYS A 42 2.258 7.093 0.392 1.00 54.55 H new ATOM 0 HZ1 LYS A 42 2.995 6.892 2.660 1.00 62.14 H new ATOM 0 HZ2 LYS A 42 3.597 5.601 1.736 1.00 62.14 H new ATOM 0 HZ3 LYS A 42 4.621 6.883 2.172 1.00 62.14 H new ATOM 679 N ARG A 43 4.812 3.948 -2.390 1.00 21.42 N ATOM 680 CA ARG A 43 5.503 2.809 -1.783 1.00 42.30 C ATOM 681 C ARG A 43 5.267 1.537 -2.563 1.00 30.23 C ATOM 682 O ARG A 43 5.614 0.458 -2.115 1.00 12.30 O ATOM 683 CB ARG A 43 5.126 2.586 -0.319 1.00 50.44 C ATOM 684 CG ARG A 43 5.588 3.661 0.633 1.00 64.12 C ATOM 685 CD ARG A 43 5.202 3.310 2.054 1.00 50.40 C ATOM 686 NE ARG A 43 5.639 4.322 3.014 1.00 30.23 N ATOM 687 CZ ARG A 43 5.169 4.457 4.258 1.00 1.44 C ATOM 688 NH1 ARG A 43 4.250 3.612 4.728 1.00 54.45 N ATOM 689 NH2 ARG A 43 5.634 5.429 5.033 1.00 14.24 N ATOM 0 H ARG A 43 3.800 3.842 -2.467 1.00 21.42 H new ATOM 0 HA ARG A 43 6.562 3.063 -1.816 1.00 42.30 H new ATOM 0 HB2 ARG A 43 4.042 2.502 -0.248 1.00 50.44 H new ATOM 0 HB3 ARG A 43 5.542 1.632 0.006 1.00 50.44 H new ATOM 0 HG2 ARG A 43 6.669 3.778 0.562 1.00 64.12 H new ATOM 0 HG3 ARG A 43 5.145 4.617 0.355 1.00 64.12 H new ATOM 0 HD2 ARG A 43 4.120 3.196 2.117 1.00 50.40 H new ATOM 0 HD3 ARG A 43 5.639 2.348 2.320 1.00 50.40 H new ATOM 0 HE ARG A 43 6.360 4.977 2.711 1.00 30.23 H new ATOM 0 HH11 ARG A 43 3.902 2.857 4.137 1.00 54.45 H new ATOM 0 HH12 ARG A 43 3.896 3.721 5.678 1.00 54.45 H new ATOM 0 HH21 ARG A 43 6.346 6.068 4.678 1.00 14.24 H new ATOM 0 HH22 ARG A 43 5.279 5.537 5.983 1.00 14.24 H new ATOM 703 N GLY A 44 4.696 1.633 -3.724 1.00 65.30 N ATOM 704 CA GLY A 44 4.505 0.433 -4.473 1.00 13.11 C ATOM 705 C GLY A 44 3.337 0.451 -5.361 1.00 23.03 C ATOM 706 O GLY A 44 2.680 1.478 -5.540 1.00 14.43 O ATOM 0 H GLY A 44 4.366 2.494 -4.160 1.00 65.30 H new ATOM 0 HA2 GLY A 44 5.397 0.246 -5.071 1.00 13.11 H new ATOM 0 HA3 GLY A 44 4.406 -0.402 -3.779 1.00 13.11 H new ATOM 710 N LEU A 45 3.061 -0.684 -5.912 1.00 13.33 N ATOM 711 CA LEU A 45 2.011 -0.816 -6.885 1.00 62.54 C ATOM 712 C LEU A 45 1.059 -1.929 -6.530 1.00 73.42 C ATOM 713 O LEU A 45 1.474 -3.008 -6.075 1.00 13.02 O ATOM 714 CB LEU A 45 2.564 -1.024 -8.322 1.00 10.11 C ATOM 715 CG LEU A 45 3.208 0.186 -9.052 1.00 4.45 C ATOM 716 CD1 LEU A 45 4.535 0.610 -8.440 1.00 12.44 C ATOM 717 CD2 LEU A 45 3.364 -0.109 -10.536 1.00 35.13 C ATOM 0 H LEU A 45 3.554 -1.552 -5.704 1.00 13.33 H new ATOM 0 HA LEU A 45 1.463 0.126 -6.870 1.00 62.54 H new ATOM 0 HB2 LEU A 45 3.308 -1.819 -8.279 1.00 10.11 H new ATOM 0 HB3 LEU A 45 1.745 -1.388 -8.943 1.00 10.11 H new ATOM 0 HG LEU A 45 2.528 1.029 -8.927 1.00 4.45 H new ATOM 0 HD11 LEU A 45 4.936 1.460 -8.993 1.00 12.44 H new ATOM 0 HD12 LEU A 45 4.381 0.895 -7.399 1.00 12.44 H new ATOM 0 HD13 LEU A 45 5.240 -0.220 -8.489 1.00 12.44 H new ATOM 0 HD21 LEU A 45 3.817 0.750 -11.032 1.00 35.13 H new ATOM 0 HD22 LEU A 45 4.002 -0.983 -10.668 1.00 35.13 H new ATOM 0 HD23 LEU A 45 2.385 -0.306 -10.973 1.00 35.13 H new ATOM 729 N LYS A 46 -0.208 -1.667 -6.714 1.00 14.21 N ATOM 730 CA LYS A 46 -1.228 -2.654 -6.481 1.00 34.24 C ATOM 731 C LYS A 46 -1.884 -2.954 -7.805 1.00 35.44 C ATOM 732 O LYS A 46 -2.405 -2.054 -8.444 1.00 53.42 O ATOM 733 CB LYS A 46 -2.322 -2.133 -5.544 1.00 62.21 C ATOM 734 CG LYS A 46 -3.291 -3.221 -5.106 1.00 45.53 C ATOM 735 CD LYS A 46 -4.602 -2.677 -4.536 1.00 42.52 C ATOM 736 CE LYS A 46 -4.411 -1.662 -3.426 1.00 14.14 C ATOM 737 NZ LYS A 46 -5.709 -1.303 -2.805 1.00 23.41 N ATOM 0 H LYS A 46 -0.562 -0.764 -7.029 1.00 14.21 H new ATOM 0 HA LYS A 46 -0.762 -3.529 -6.028 1.00 34.24 H new ATOM 0 HB2 LYS A 46 -1.858 -1.690 -4.663 1.00 62.21 H new ATOM 0 HB3 LYS A 46 -2.876 -1.340 -6.046 1.00 62.21 H new ATOM 0 HG2 LYS A 46 -3.513 -3.863 -5.958 1.00 45.53 H new ATOM 0 HG3 LYS A 46 -2.808 -3.845 -4.354 1.00 45.53 H new ATOM 0 HD2 LYS A 46 -5.175 -2.217 -5.341 1.00 42.52 H new ATOM 0 HD3 LYS A 46 -5.196 -3.509 -4.157 1.00 42.52 H new ATOM 0 HE2 LYS A 46 -3.741 -2.068 -2.668 1.00 14.14 H new ATOM 0 HE3 LYS A 46 -3.935 -0.767 -3.825 1.00 14.14 H new ATOM 0 HZ1 LYS A 46 -5.551 -0.607 -2.048 1.00 23.41 H new ATOM 0 HZ2 LYS A 46 -6.337 -0.894 -3.526 1.00 23.41 H new ATOM 0 HZ3 LYS A 46 -6.150 -2.156 -2.405 1.00 23.41 H new ATOM 751 N VAL A 47 -1.861 -4.170 -8.213 1.00 5.13 N ATOM 752 CA VAL A 47 -2.513 -4.564 -9.432 1.00 30.34 C ATOM 753 C VAL A 47 -3.580 -5.592 -9.113 1.00 32.13 C ATOM 754 O VAL A 47 -3.302 -6.686 -8.613 1.00 22.44 O ATOM 755 CB VAL A 47 -1.520 -5.067 -10.534 1.00 1.45 C ATOM 756 CG1 VAL A 47 -0.582 -3.951 -10.958 1.00 13.53 C ATOM 757 CG2 VAL A 47 -0.715 -6.266 -10.064 1.00 41.05 C ATOM 0 H VAL A 47 -1.392 -4.930 -7.719 1.00 5.13 H new ATOM 0 HA VAL A 47 -2.981 -3.680 -9.865 1.00 30.34 H new ATOM 0 HB VAL A 47 -2.119 -5.378 -11.390 1.00 1.45 H new ATOM 0 HG11 VAL A 47 0.100 -4.320 -11.724 1.00 13.53 H new ATOM 0 HG12 VAL A 47 -1.163 -3.120 -11.359 1.00 13.53 H new ATOM 0 HG13 VAL A 47 -0.009 -3.610 -10.096 1.00 13.53 H new ATOM 0 HG21 VAL A 47 -0.039 -6.584 -10.857 1.00 41.05 H new ATOM 0 HG22 VAL A 47 -0.136 -5.992 -9.182 1.00 41.05 H new ATOM 0 HG23 VAL A 47 -1.392 -7.084 -9.815 1.00 41.05 H new ATOM 767 N CYS A 48 -4.785 -5.237 -9.344 1.00 12.44 N ATOM 768 CA CYS A 48 -5.863 -6.096 -8.996 1.00 75.12 C ATOM 769 C CYS A 48 -6.663 -6.441 -10.214 1.00 42.21 C ATOM 770 O CYS A 48 -7.490 -5.652 -10.658 1.00 63.32 O ATOM 771 CB CYS A 48 -6.755 -5.425 -7.958 1.00 71.41 C ATOM 772 SG CYS A 48 -7.988 -6.531 -7.217 1.00 64.52 S ATOM 0 H CYS A 48 -5.058 -4.354 -9.775 1.00 12.44 H new ATOM 0 HA CYS A 48 -5.456 -7.013 -8.571 1.00 75.12 H new ATOM 0 HB2 CYS A 48 -6.128 -5.015 -7.166 1.00 71.41 H new ATOM 0 HB3 CYS A 48 -7.270 -4.585 -8.425 1.00 71.41 H new ATOM 777 N CYS A 49 -6.385 -7.578 -10.794 1.00 14.33 N ATOM 778 CA CYS A 49 -7.121 -7.998 -11.949 1.00 20.33 C ATOM 779 C CYS A 49 -8.285 -8.875 -11.544 1.00 14.42 C ATOM 780 O CYS A 49 -8.133 -9.796 -10.749 1.00 64.32 O ATOM 781 CB CYS A 49 -6.220 -8.743 -12.947 1.00 15.41 C ATOM 782 SG CYS A 49 -4.875 -7.767 -13.749 1.00 12.52 S ATOM 0 H CYS A 49 -5.658 -8.224 -10.486 1.00 14.33 H new ATOM 0 HA CYS A 49 -7.504 -7.104 -12.441 1.00 20.33 H new ATOM 0 HB2 CYS A 49 -5.764 -9.586 -12.428 1.00 15.41 H new ATOM 0 HB3 CYS A 49 -6.853 -9.157 -13.732 1.00 15.41 H new ATOM 787 N ASP A 50 -9.427 -8.582 -12.094 1.00 2.12 N ATOM 788 CA ASP A 50 -10.630 -9.337 -11.866 1.00 33.22 C ATOM 789 C ASP A 50 -11.132 -9.842 -13.200 1.00 11.43 C ATOM 790 O ASP A 50 -11.659 -9.080 -13.991 1.00 42.31 O ATOM 791 CB ASP A 50 -11.708 -8.465 -11.207 1.00 12.33 C ATOM 792 CG ASP A 50 -12.954 -9.247 -10.880 1.00 35.35 C ATOM 793 OD1 ASP A 50 -12.939 -10.000 -9.911 1.00 22.04 O ATOM 794 OD2 ASP A 50 -13.958 -9.127 -11.597 1.00 42.30 O ATOM 0 H ASP A 50 -9.553 -7.794 -12.729 1.00 2.12 H new ATOM 0 HA ASP A 50 -10.413 -10.169 -11.196 1.00 33.22 H new ATOM 0 HB2 ASP A 50 -11.308 -8.025 -10.294 1.00 12.33 H new ATOM 0 HB3 ASP A 50 -11.963 -7.641 -11.873 1.00 12.33 H new ATOM 799 N PRO A 51 -10.915 -11.113 -13.495 1.00 51.34 N ATOM 800 CA PRO A 51 -11.330 -11.721 -14.766 1.00 13.32 C ATOM 801 C PRO A 51 -12.819 -12.047 -14.795 1.00 20.52 C ATOM 802 O PRO A 51 -13.332 -12.538 -15.804 1.00 40.42 O ATOM 803 CB PRO A 51 -10.506 -13.009 -14.805 1.00 34.43 C ATOM 804 CG PRO A 51 -10.331 -13.369 -13.373 1.00 34.03 C ATOM 805 CD PRO A 51 -10.242 -12.067 -12.622 1.00 11.12 C ATOM 0 HA PRO A 51 -11.169 -11.057 -15.615 1.00 13.32 H new ATOM 0 HB2 PRO A 51 -11.022 -13.796 -15.354 1.00 34.43 H new ATOM 0 HB3 PRO A 51 -9.546 -12.854 -15.298 1.00 34.43 H new ATOM 0 HG2 PRO A 51 -11.169 -13.968 -13.017 1.00 34.03 H new ATOM 0 HG3 PRO A 51 -9.430 -13.965 -13.228 1.00 34.03 H new ATOM 0 HD2 PRO A 51 -10.730 -12.132 -11.650 1.00 11.12 H new ATOM 0 HD3 PRO A 51 -9.206 -11.781 -12.440 1.00 11.12 H new ATOM 1207 N THR B 210 15.267 -3.625 -9.890 1.00 14.53 N ATOM 1208 CA THR B 210 14.565 -4.658 -9.218 1.00 1.20 C ATOM 1209 C THR B 210 13.114 -4.649 -9.689 1.00 63.44 C ATOM 1210 O THR B 210 12.473 -3.591 -9.750 1.00 0.04 O ATOM 1211 CB THR B 210 14.617 -4.449 -7.684 1.00 25.22 C ATOM 1212 OG1 THR B 210 15.991 -4.412 -7.253 1.00 10.41 O ATOM 1213 CG2 THR B 210 13.896 -5.580 -6.953 1.00 25.41 C ATOM 0 HA THR B 210 15.031 -5.616 -9.447 1.00 1.20 H new ATOM 0 HB THR B 210 14.120 -3.508 -7.449 1.00 25.22 H new ATOM 0 HG1 THR B 210 16.561 -4.139 -8.002 1.00 10.41 H new ATOM 0 HG21 THR B 210 13.947 -5.409 -5.878 1.00 25.41 H new ATOM 0 HG22 THR B 210 12.852 -5.609 -7.267 1.00 25.41 H new ATOM 0 HG23 THR B 210 14.373 -6.530 -7.192 1.00 25.41 H new ATOM 1221 N CYS B 211 12.606 -5.791 -10.031 1.00 14.14 N ATOM 1222 CA CYS B 211 11.249 -5.885 -10.456 1.00 73.31 C ATOM 1223 C CYS B 211 10.547 -6.818 -9.500 1.00 34.13 C ATOM 1224 O CYS B 211 11.151 -7.776 -9.003 1.00 74.14 O ATOM 1225 CB CYS B 211 11.163 -6.471 -11.872 1.00 41.41 C ATOM 1226 SG CYS B 211 12.279 -5.710 -13.138 1.00 65.41 S ATOM 0 H CYS B 211 13.115 -6.675 -10.023 1.00 14.14 H new ATOM 0 HA CYS B 211 10.792 -4.895 -10.466 1.00 73.31 H new ATOM 0 HB2 CYS B 211 11.384 -7.537 -11.816 1.00 41.41 H new ATOM 0 HB3 CYS B 211 10.134 -6.377 -12.220 1.00 41.41 H new ATOM 1231 N VAL B 212 9.310 -6.550 -9.223 1.00 52.12 N ATOM 1232 CA VAL B 212 8.547 -7.371 -8.324 1.00 45.10 C ATOM 1233 C VAL B 212 7.439 -8.083 -9.086 1.00 32.34 C ATOM 1234 O VAL B 212 6.852 -7.527 -10.014 1.00 32.30 O ATOM 1235 CB VAL B 212 8.016 -6.574 -7.082 1.00 55.51 C ATOM 1236 CG1 VAL B 212 9.172 -6.192 -6.166 1.00 23.12 C ATOM 1237 CG2 VAL B 212 7.279 -5.306 -7.508 1.00 5.54 C ATOM 0 H VAL B 212 8.797 -5.758 -9.611 1.00 52.12 H new ATOM 0 HA VAL B 212 9.211 -8.129 -7.909 1.00 45.10 H new ATOM 0 HB VAL B 212 7.320 -7.223 -6.550 1.00 55.51 H new ATOM 0 HG11 VAL B 212 8.789 -5.639 -5.308 1.00 23.12 H new ATOM 0 HG12 VAL B 212 9.676 -7.095 -5.821 1.00 23.12 H new ATOM 0 HG13 VAL B 212 9.879 -5.568 -6.713 1.00 23.12 H new ATOM 0 HG21 VAL B 212 6.924 -4.777 -6.624 1.00 5.54 H new ATOM 0 HG22 VAL B 212 7.957 -4.662 -8.068 1.00 5.54 H new ATOM 0 HG23 VAL B 212 6.429 -5.573 -8.137 1.00 5.54 H new ATOM 1247 N SER B 213 7.168 -9.306 -8.731 1.00 1.01 N ATOM 1248 CA SER B 213 6.221 -10.092 -9.476 1.00 65.24 C ATOM 1249 C SER B 213 5.395 -11.012 -8.597 1.00 34.15 C ATOM 1250 O SER B 213 5.931 -11.658 -7.693 1.00 75.51 O ATOM 1251 CB SER B 213 6.986 -10.920 -10.512 1.00 43.21 C ATOM 1252 OG SER B 213 8.048 -11.665 -9.902 1.00 63.54 O ATOM 0 H SER B 213 7.587 -9.782 -7.932 1.00 1.01 H new ATOM 0 HA SER B 213 5.522 -9.407 -9.955 1.00 65.24 H new ATOM 0 HB2 SER B 213 6.300 -11.604 -11.013 1.00 43.21 H new ATOM 0 HB3 SER B 213 7.395 -10.261 -11.278 1.00 43.21 H new ATOM 0 HG SER B 213 8.518 -12.185 -10.587 1.00 63.54 H new ATOM 1258 N LEU B 214 4.101 -11.056 -8.841 1.00 70.42 N ATOM 1259 CA LEU B 214 3.267 -12.068 -8.211 1.00 62.13 C ATOM 1260 C LEU B 214 2.628 -12.925 -9.249 1.00 41.44 C ATOM 1261 O LEU B 214 1.845 -12.447 -10.085 1.00 5.11 O ATOM 1262 CB LEU B 214 2.173 -11.537 -7.250 1.00 50.22 C ATOM 1263 CG LEU B 214 2.600 -10.948 -5.900 1.00 74.43 C ATOM 1264 CD1 LEU B 214 1.393 -10.804 -4.969 1.00 70.30 C ATOM 1265 CD2 LEU B 214 3.696 -11.777 -5.238 1.00 2.22 C ATOM 0 H LEU B 214 3.606 -10.415 -9.461 1.00 70.42 H new ATOM 0 HA LEU B 214 3.956 -12.636 -7.586 1.00 62.13 H new ATOM 0 HB2 LEU B 214 1.610 -10.770 -7.782 1.00 50.22 H new ATOM 0 HB3 LEU B 214 1.483 -12.357 -7.049 1.00 50.22 H new ATOM 0 HG LEU B 214 3.014 -9.958 -6.092 1.00 74.43 H new ATOM 0 HD11 LEU B 214 1.716 -10.385 -4.016 1.00 70.30 H new ATOM 0 HD12 LEU B 214 0.658 -10.142 -5.426 1.00 70.30 H new ATOM 0 HD13 LEU B 214 0.944 -11.783 -4.801 1.00 70.30 H new ATOM 0 HD21 LEU B 214 3.969 -11.325 -4.285 1.00 2.22 H new ATOM 0 HD22 LEU B 214 3.333 -12.791 -5.068 1.00 2.22 H new ATOM 0 HD23 LEU B 214 4.571 -11.809 -5.888 1.00 2.22 H new ATOM 1277 N THR B 215 2.936 -14.168 -9.205 1.00 71.41 N ATOM 1278 CA THR B 215 2.336 -15.107 -10.065 1.00 12.24 C ATOM 1279 C THR B 215 1.242 -15.813 -9.304 1.00 72.13 C ATOM 1280 O THR B 215 1.494 -16.559 -8.356 1.00 70.15 O ATOM 1281 CB THR B 215 3.372 -16.089 -10.660 1.00 60.21 C ATOM 1282 OG1 THR B 215 4.149 -16.695 -9.618 1.00 42.54 O ATOM 1283 CG2 THR B 215 4.301 -15.365 -11.623 1.00 34.03 C ATOM 0 H THR B 215 3.621 -14.563 -8.561 1.00 71.41 H new ATOM 0 HA THR B 215 1.901 -14.595 -10.923 1.00 12.24 H new ATOM 0 HB THR B 215 2.828 -16.865 -11.199 1.00 60.21 H new ATOM 0 HG1 THR B 215 3.565 -16.925 -8.866 1.00 42.54 H new ATOM 0 HG21 THR B 215 5.023 -16.071 -12.032 1.00 34.03 H new ATOM 0 HG22 THR B 215 3.717 -14.932 -12.435 1.00 34.03 H new ATOM 0 HG23 THR B 215 4.829 -14.572 -11.093 1.00 34.03 H new ATOM 1291 N THR B 216 0.048 -15.558 -9.699 1.00 13.43 N ATOM 1292 CA THR B 216 -1.094 -16.044 -9.019 1.00 33.21 C ATOM 1293 C THR B 216 -1.679 -17.268 -9.747 1.00 75.11 C ATOM 1294 O THR B 216 -1.239 -17.579 -10.856 1.00 42.10 O ATOM 1295 CB THR B 216 -2.118 -14.885 -8.712 1.00 61.11 C ATOM 1296 OG1 THR B 216 -3.329 -15.363 -8.114 1.00 44.35 O ATOM 1297 CG2 THR B 216 -2.418 -14.015 -9.925 1.00 41.12 C ATOM 0 H THR B 216 -0.166 -14.994 -10.521 1.00 13.43 H new ATOM 0 HA THR B 216 -0.805 -16.412 -8.034 1.00 33.21 H new ATOM 0 HB THR B 216 -1.617 -14.251 -7.980 1.00 61.11 H new ATOM 0 HG1 THR B 216 -3.929 -14.608 -7.942 1.00 44.35 H new ATOM 0 HG21 THR B 216 -3.129 -13.237 -9.648 1.00 41.12 H new ATOM 0 HG22 THR B 216 -1.496 -13.555 -10.280 1.00 41.12 H new ATOM 0 HG23 THR B 216 -2.844 -14.630 -10.717 1.00 41.12 H new ATOM 1305 N GLN B 217 -2.584 -17.998 -9.064 1.00 53.34 N ATOM 1306 CA GLN B 217 -3.169 -19.279 -9.534 1.00 20.33 C ATOM 1307 C GLN B 217 -3.396 -19.340 -11.045 1.00 42.20 C ATOM 1308 O GLN B 217 -2.611 -19.989 -11.757 1.00 62.23 O ATOM 1309 CB GLN B 217 -4.462 -19.602 -8.775 1.00 22.54 C ATOM 1310 CG GLN B 217 -4.271 -19.766 -7.273 1.00 11.40 C ATOM 1311 CD GLN B 217 -3.294 -20.873 -6.927 1.00 75.11 C ATOM 1312 OE1 GLN B 217 -2.086 -20.640 -6.812 1.00 63.41 O ATOM 1313 NE2 GLN B 217 -3.793 -22.072 -6.764 1.00 74.22 N ATOM 0 H GLN B 217 -2.938 -17.711 -8.152 1.00 53.34 H new ATOM 0 HA GLN B 217 -2.424 -20.043 -9.314 1.00 20.33 H new ATOM 0 HB2 GLN B 217 -5.186 -18.807 -8.955 1.00 22.54 H new ATOM 0 HB3 GLN B 217 -4.890 -20.519 -9.179 1.00 22.54 H new ATOM 0 HG2 GLN B 217 -3.914 -18.826 -6.851 1.00 11.40 H new ATOM 0 HG3 GLN B 217 -5.234 -19.978 -6.809 1.00 11.40 H new ATOM 0 HE21 GLN B 217 -4.796 -22.225 -6.867 1.00 74.22 H new ATOM 0 HE22 GLN B 217 -3.179 -22.853 -6.534 1.00 74.22 H new ATOM 1322 N ARG B 218 -4.433 -18.681 -11.536 1.00 10.54 N ATOM 1323 CA ARG B 218 -4.679 -18.623 -12.974 1.00 15.25 C ATOM 1324 C ARG B 218 -5.796 -17.657 -13.281 1.00 31.42 C ATOM 1325 O ARG B 218 -6.946 -17.854 -12.852 1.00 22.02 O ATOM 1326 CB ARG B 218 -5.033 -19.995 -13.563 1.00 74.43 C ATOM 1327 CG ARG B 218 -5.136 -19.984 -15.080 1.00 62.22 C ATOM 1328 CD ARG B 218 -5.554 -21.329 -15.630 1.00 73.23 C ATOM 1329 NE ARG B 218 -6.901 -21.702 -15.200 1.00 43.41 N ATOM 1330 CZ ARG B 218 -7.693 -22.554 -15.850 1.00 23.15 C ATOM 1331 NH1 ARG B 218 -7.269 -23.160 -16.962 1.00 74.51 N ATOM 1332 NH2 ARG B 218 -8.904 -22.800 -15.389 1.00 22.42 N ATOM 0 H ARG B 218 -5.116 -18.181 -10.967 1.00 10.54 H new ATOM 0 HA ARG B 218 -3.751 -18.284 -13.434 1.00 15.25 H new ATOM 0 HB2 ARG B 218 -4.276 -20.719 -13.261 1.00 74.43 H new ATOM 0 HB3 ARG B 218 -5.981 -20.331 -13.143 1.00 74.43 H new ATOM 0 HG2 ARG B 218 -5.856 -19.226 -15.389 1.00 62.22 H new ATOM 0 HG3 ARG B 218 -4.174 -19.701 -15.507 1.00 62.22 H new ATOM 0 HD2 ARG B 218 -5.515 -21.303 -16.719 1.00 73.23 H new ATOM 0 HD3 ARG B 218 -4.845 -22.090 -15.304 1.00 73.23 H new ATOM 0 HE ARG B 218 -7.259 -21.281 -14.343 1.00 43.41 H new ATOM 0 HH11 ARG B 218 -6.333 -22.972 -17.320 1.00 74.51 H new ATOM 0 HH12 ARG B 218 -7.882 -23.811 -17.453 1.00 74.51 H new ATOM 0 HH21 ARG B 218 -9.230 -22.339 -14.539 1.00 22.42 H new ATOM 0 HH22 ARG B 218 -9.515 -23.451 -15.882 1.00 22.42 H new ATOM 1346 N LEU B 219 -5.464 -16.620 -13.989 1.00 21.34 N ATOM 1347 CA LEU B 219 -6.418 -15.639 -14.444 1.00 42.10 C ATOM 1348 C LEU B 219 -6.269 -15.524 -15.940 1.00 63.12 C ATOM 1349 O LEU B 219 -5.281 -14.975 -16.411 1.00 21.32 O ATOM 1350 CB LEU B 219 -6.209 -14.237 -13.784 1.00 34.40 C ATOM 1351 CG LEU B 219 -6.517 -14.064 -12.267 1.00 12.21 C ATOM 1352 CD1 LEU B 219 -5.608 -14.898 -11.387 1.00 11.24 C ATOM 1353 CD2 LEU B 219 -6.421 -12.598 -11.877 1.00 2.32 C ATOM 0 H LEU B 219 -4.505 -16.423 -14.275 1.00 21.34 H new ATOM 0 HA LEU B 219 -7.418 -15.966 -14.159 1.00 42.10 H new ATOM 0 HB2 LEU B 219 -5.170 -13.950 -13.944 1.00 34.40 H new ATOM 0 HB3 LEU B 219 -6.825 -13.522 -14.329 1.00 34.40 H new ATOM 0 HG LEU B 219 -7.534 -14.422 -12.106 1.00 12.21 H new ATOM 0 HD11 LEU B 219 -5.868 -14.738 -10.341 1.00 11.24 H new ATOM 0 HD12 LEU B 219 -5.730 -15.953 -11.634 1.00 11.24 H new ATOM 0 HD13 LEU B 219 -4.572 -14.604 -11.553 1.00 11.24 H new ATOM 0 HD21 LEU B 219 -6.638 -12.489 -10.814 1.00 2.32 H new ATOM 0 HD22 LEU B 219 -5.415 -12.232 -12.081 1.00 2.32 H new ATOM 0 HD23 LEU B 219 -7.141 -12.020 -12.456 1.00 2.32 H new ATOM 1365 N PRO B 220 -7.211 -16.073 -16.724 1.00 23.45 N ATOM 1366 CA PRO B 220 -7.090 -16.038 -18.171 1.00 42.33 C ATOM 1367 C PRO B 220 -7.129 -14.608 -18.699 1.00 1.34 C ATOM 1368 O PRO B 220 -7.948 -13.780 -18.268 1.00 41.32 O ATOM 1369 CB PRO B 220 -8.310 -16.830 -18.665 1.00 50.43 C ATOM 1370 CG PRO B 220 -9.265 -16.838 -17.516 1.00 15.43 C ATOM 1371 CD PRO B 220 -8.433 -16.750 -16.272 1.00 5.14 C ATOM 0 HA PRO B 220 -6.144 -16.455 -18.515 1.00 42.33 H new ATOM 0 HB2 PRO B 220 -8.754 -16.361 -19.543 1.00 50.43 H new ATOM 0 HB3 PRO B 220 -8.031 -17.844 -18.952 1.00 50.43 H new ATOM 0 HG2 PRO B 220 -9.957 -15.998 -17.580 1.00 15.43 H new ATOM 0 HG3 PRO B 220 -9.866 -17.747 -17.517 1.00 15.43 H new ATOM 0 HD2 PRO B 220 -8.939 -16.184 -15.490 1.00 5.14 H new ATOM 0 HD3 PRO B 220 -8.217 -17.737 -15.863 1.00 5.14 H new ATOM 1379 N VAL B 221 -6.281 -14.333 -19.660 1.00 72.22 N ATOM 1380 CA VAL B 221 -6.170 -13.006 -20.217 1.00 1.10 C ATOM 1381 C VAL B 221 -6.206 -13.060 -21.727 1.00 11.32 C ATOM 1382 O VAL B 221 -6.012 -14.125 -22.323 1.00 1.51 O ATOM 1383 CB VAL B 221 -4.884 -12.261 -19.735 1.00 73.43 C ATOM 1384 CG1 VAL B 221 -4.892 -12.103 -18.220 1.00 31.31 C ATOM 1385 CG2 VAL B 221 -3.614 -12.976 -20.196 1.00 71.30 C ATOM 0 H VAL B 221 -5.651 -15.019 -20.077 1.00 72.22 H new ATOM 0 HA VAL B 221 -7.027 -12.438 -19.855 1.00 1.10 H new ATOM 0 HB VAL B 221 -4.887 -11.270 -20.188 1.00 73.43 H new ATOM 0 HG11 VAL B 221 -3.988 -11.582 -17.904 1.00 31.31 H new ATOM 0 HG12 VAL B 221 -5.767 -11.527 -17.919 1.00 31.31 H new ATOM 0 HG13 VAL B 221 -4.926 -13.087 -17.752 1.00 31.31 H new ATOM 0 HG21 VAL B 221 -2.740 -12.429 -19.842 1.00 71.30 H new ATOM 0 HG22 VAL B 221 -3.598 -13.987 -19.790 1.00 71.30 H new ATOM 0 HG23 VAL B 221 -3.597 -13.022 -21.285 1.00 71.30 H new ATOM 1395 N SER B 222 -6.471 -11.932 -22.337 1.00 53.52 N ATOM 1396 CA SER B 222 -6.571 -11.840 -23.778 1.00 51.23 C ATOM 1397 C SER B 222 -5.195 -11.961 -24.459 1.00 24.32 C ATOM 1398 O SER B 222 -5.093 -12.495 -25.568 1.00 2.21 O ATOM 1399 CB SER B 222 -7.256 -10.518 -24.168 1.00 75.22 C ATOM 1400 OG SER B 222 -7.427 -10.400 -25.568 1.00 32.54 O ATOM 0 H SER B 222 -6.624 -11.049 -21.851 1.00 53.52 H new ATOM 0 HA SER B 222 -7.175 -12.677 -24.128 1.00 51.23 H new ATOM 0 HB2 SER B 222 -8.228 -10.455 -23.678 1.00 75.22 H new ATOM 0 HB3 SER B 222 -6.661 -9.681 -23.804 1.00 75.22 H new ATOM 0 HG SER B 222 -7.866 -9.548 -25.773 1.00 32.54 H new ATOM 1406 N ARG B 223 -4.146 -11.482 -23.793 1.00 2.51 N ATOM 1407 CA ARG B 223 -2.802 -11.482 -24.362 1.00 54.50 C ATOM 1408 C ARG B 223 -1.792 -11.073 -23.304 1.00 30.12 C ATOM 1409 O ARG B 223 -2.094 -10.211 -22.473 1.00 71.22 O ATOM 1410 CB ARG B 223 -2.741 -10.483 -25.548 1.00 51.15 C ATOM 1411 CG ARG B 223 -1.373 -10.323 -26.209 1.00 41.44 C ATOM 1412 CD ARG B 223 -0.872 -11.616 -26.829 1.00 11.13 C ATOM 1413 NE ARG B 223 0.459 -11.442 -27.407 1.00 55.14 N ATOM 1414 CZ ARG B 223 1.140 -12.368 -28.094 1.00 43.30 C ATOM 1415 NH1 ARG B 223 0.593 -13.554 -28.357 1.00 34.31 N ATOM 1416 NH2 ARG B 223 2.361 -12.092 -28.533 1.00 32.22 N ATOM 0 H ARG B 223 -4.203 -11.087 -22.854 1.00 2.51 H new ATOM 0 HA ARG B 223 -2.564 -12.485 -24.716 1.00 54.50 H new ATOM 0 HB2 ARG B 223 -3.455 -10.804 -26.306 1.00 51.15 H new ATOM 0 HB3 ARG B 223 -3.069 -9.506 -25.194 1.00 51.15 H new ATOM 0 HG2 ARG B 223 -1.433 -9.554 -26.979 1.00 41.44 H new ATOM 0 HG3 ARG B 223 -0.653 -9.976 -25.468 1.00 41.44 H new ATOM 0 HD2 ARG B 223 -0.843 -12.399 -26.071 1.00 11.13 H new ATOM 0 HD3 ARG B 223 -1.567 -11.946 -27.601 1.00 11.13 H new ATOM 0 HE ARG B 223 0.909 -10.536 -27.276 1.00 55.14 H new ATOM 0 HH11 ARG B 223 -0.352 -13.763 -28.034 1.00 34.31 H new ATOM 0 HH12 ARG B 223 1.119 -14.253 -28.881 1.00 34.31 H new ATOM 0 HH21 ARG B 223 2.776 -11.179 -28.347 1.00 32.22 H new ATOM 0 HH22 ARG B 223 2.885 -12.793 -29.057 1.00 32.22 H new ATOM 1430 N ILE B 224 -0.623 -11.714 -23.312 1.00 43.41 N ATOM 1431 CA ILE B 224 0.482 -11.313 -22.441 1.00 55.21 C ATOM 1432 C ILE B 224 0.985 -9.992 -22.981 1.00 12.34 C ATOM 1433 O ILE B 224 1.491 -9.935 -24.108 1.00 22.35 O ATOM 1434 CB ILE B 224 1.677 -12.323 -22.485 1.00 61.13 C ATOM 1435 CG1 ILE B 224 1.230 -13.789 -22.239 1.00 51.23 C ATOM 1436 CG2 ILE B 224 2.766 -11.917 -21.485 1.00 74.24 C ATOM 1437 CD1 ILE B 224 0.568 -14.056 -20.928 1.00 72.43 C ATOM 0 H ILE B 224 -0.417 -12.513 -23.912 1.00 43.41 H new ATOM 0 HA ILE B 224 0.125 -11.264 -21.412 1.00 55.21 H new ATOM 0 HB ILE B 224 2.087 -12.282 -23.494 1.00 61.13 H new ATOM 0 HG12 ILE B 224 0.545 -14.078 -23.036 1.00 51.23 H new ATOM 0 HG13 ILE B 224 2.105 -14.434 -22.321 1.00 51.23 H new ATOM 0 HG21 ILE B 224 3.587 -12.632 -21.531 1.00 74.24 H new ATOM 0 HG22 ILE B 224 3.136 -10.922 -21.734 1.00 74.24 H new ATOM 0 HG23 ILE B 224 2.350 -11.908 -20.478 1.00 74.24 H new ATOM 0 HD11 ILE B 224 0.299 -15.110 -20.865 1.00 72.43 H new ATOM 0 HD12 ILE B 224 1.253 -13.807 -20.117 1.00 72.43 H new ATOM 0 HD13 ILE B 224 -0.331 -13.446 -20.844 1.00 72.43 H new ATOM 1449 N LYS B 225 0.830 -8.950 -22.227 1.00 13.24 N ATOM 1450 CA LYS B 225 1.188 -7.647 -22.694 1.00 2.01 C ATOM 1451 C LYS B 225 1.855 -6.866 -21.606 1.00 21.53 C ATOM 1452 O LYS B 225 1.766 -7.232 -20.427 1.00 11.12 O ATOM 1453 CB LYS B 225 -0.051 -6.918 -23.152 1.00 44.14 C ATOM 1454 CG LYS B 225 -1.070 -6.699 -22.055 1.00 44.23 C ATOM 1455 CD LYS B 225 -2.277 -5.990 -22.584 1.00 44.32 C ATOM 1456 CE LYS B 225 -3.019 -6.849 -23.578 1.00 75.11 C ATOM 1457 NZ LYS B 225 -3.979 -6.072 -24.396 1.00 22.31 N ATOM 0 H LYS B 225 0.455 -8.976 -21.279 1.00 13.24 H new ATOM 0 HA LYS B 225 1.883 -7.751 -23.527 1.00 2.01 H new ATOM 0 HB2 LYS B 225 0.239 -5.952 -23.564 1.00 44.14 H new ATOM 0 HB3 LYS B 225 -0.516 -7.483 -23.960 1.00 44.14 H new ATOM 0 HG2 LYS B 225 -1.364 -7.658 -21.629 1.00 44.23 H new ATOM 0 HG3 LYS B 225 -0.624 -6.116 -21.249 1.00 44.23 H new ATOM 0 HD2 LYS B 225 -2.940 -5.728 -21.759 1.00 44.32 H new ATOM 0 HD3 LYS B 225 -1.975 -5.057 -23.059 1.00 44.32 H new ATOM 0 HE2 LYS B 225 -2.302 -7.340 -24.235 1.00 75.11 H new ATOM 0 HE3 LYS B 225 -3.554 -7.635 -23.045 1.00 75.11 H new ATOM 0 HZ1 LYS B 225 -4.522 -6.719 -25.002 1.00 22.31 H new ATOM 0 HZ2 LYS B 225 -4.630 -5.556 -23.770 1.00 22.31 H new ATOM 0 HZ3 LYS B 225 -3.460 -5.395 -24.991 1.00 22.31 H new ATOM 1471 N THR B 226 2.520 -5.814 -21.987 1.00 2.32 N ATOM 1472 CA THR B 226 3.163 -4.960 -21.057 1.00 34.12 C ATOM 1473 C THR B 226 2.674 -3.534 -21.164 1.00 51.31 C ATOM 1474 O THR B 226 2.529 -2.987 -22.261 1.00 32.40 O ATOM 1475 CB THR B 226 4.693 -4.998 -21.201 1.00 61.24 C ATOM 1476 OG1 THR B 226 5.061 -4.911 -22.582 1.00 62.20 O ATOM 1477 CG2 THR B 226 5.282 -6.236 -20.579 1.00 72.53 C ATOM 0 H THR B 226 2.626 -5.531 -22.961 1.00 2.32 H new ATOM 0 HA THR B 226 2.901 -5.340 -20.070 1.00 34.12 H new ATOM 0 HB THR B 226 5.098 -4.138 -20.667 1.00 61.24 H new ATOM 0 HG1 THR B 226 6.037 -4.934 -22.662 1.00 62.20 H new ATOM 0 HG21 THR B 226 6.365 -6.225 -20.702 1.00 72.53 H new ATOM 0 HG22 THR B 226 5.038 -6.261 -19.517 1.00 72.53 H new ATOM 0 HG23 THR B 226 4.870 -7.119 -21.067 1.00 72.53 H new ATOM 1485 N TYR B 227 2.399 -2.949 -20.042 1.00 44.41 N ATOM 1486 CA TYR B 227 2.065 -1.561 -19.981 1.00 43.33 C ATOM 1487 C TYR B 227 3.197 -0.837 -19.373 1.00 34.20 C ATOM 1488 O TYR B 227 3.676 -1.215 -18.312 1.00 0.44 O ATOM 1489 CB TYR B 227 0.798 -1.302 -19.163 1.00 51.04 C ATOM 1490 CG TYR B 227 -0.460 -1.722 -19.847 1.00 41.40 C ATOM 1491 CD1 TYR B 227 -0.889 -3.030 -19.819 1.00 74.45 C ATOM 1492 CD2 TYR B 227 -1.219 -0.796 -20.541 1.00 21.23 C ATOM 1493 CE1 TYR B 227 -2.032 -3.406 -20.458 1.00 0.33 C ATOM 1494 CE2 TYR B 227 -2.370 -1.164 -21.186 1.00 34.14 C ATOM 1495 CZ TYR B 227 -2.776 -2.471 -21.146 1.00 4.53 C ATOM 1496 OH TYR B 227 -3.927 -2.848 -21.800 1.00 4.42 O ATOM 0 H TYR B 227 2.400 -3.422 -19.138 1.00 44.41 H new ATOM 0 HA TYR B 227 1.871 -1.212 -20.995 1.00 43.33 H new ATOM 0 HB2 TYR B 227 0.877 -1.830 -18.213 1.00 51.04 H new ATOM 0 HB3 TYR B 227 0.737 -0.238 -18.933 1.00 51.04 H new ATOM 0 HD1 TYR B 227 -0.311 -3.768 -19.283 1.00 74.45 H new ATOM 0 HD2 TYR B 227 -0.898 0.235 -20.575 1.00 21.23 H new ATOM 0 HE1 TYR B 227 -2.355 -4.436 -20.426 1.00 0.33 H new ATOM 0 HE2 TYR B 227 -2.953 -0.429 -21.722 1.00 34.14 H new ATOM 0 HH TYR B 227 -4.329 -2.066 -22.233 1.00 4.42 H new ATOM 1506 N THR B 228 3.647 0.172 -20.028 1.00 3.41 N ATOM 1507 CA THR B 228 4.710 0.937 -19.504 1.00 35.10 C ATOM 1508 C THR B 228 4.161 2.268 -19.042 1.00 64.24 C ATOM 1509 O THR B 228 3.566 3.024 -19.817 1.00 63.32 O ATOM 1510 CB THR B 228 5.834 1.142 -20.544 1.00 32.23 C ATOM 1511 OG1 THR B 228 6.284 -0.141 -21.021 1.00 53.40 O ATOM 1512 CG2 THR B 228 7.024 1.866 -19.913 1.00 51.32 C ATOM 0 H THR B 228 3.291 0.485 -20.931 1.00 3.41 H new ATOM 0 HA THR B 228 5.152 0.402 -18.664 1.00 35.10 H new ATOM 0 HB THR B 228 5.439 1.740 -21.365 1.00 32.23 H new ATOM 0 HG1 THR B 228 6.996 -0.013 -21.682 1.00 53.40 H new ATOM 0 HG21 THR B 228 7.806 2.001 -20.661 1.00 51.32 H new ATOM 0 HG22 THR B 228 6.703 2.840 -19.543 1.00 51.32 H new ATOM 0 HG23 THR B 228 7.413 1.274 -19.085 1.00 51.32 H new ATOM 1520 N ILE B 229 4.344 2.529 -17.790 1.00 62.13 N ATOM 1521 CA ILE B 229 3.879 3.719 -17.175 1.00 61.21 C ATOM 1522 C ILE B 229 5.045 4.651 -17.034 1.00 11.34 C ATOM 1523 O ILE B 229 6.120 4.257 -16.595 1.00 14.11 O ATOM 1524 CB ILE B 229 3.286 3.455 -15.763 1.00 73.43 C ATOM 1525 CG1 ILE B 229 2.069 2.530 -15.815 1.00 22.12 C ATOM 1526 CG2 ILE B 229 2.921 4.760 -15.097 1.00 73.03 C ATOM 1527 CD1 ILE B 229 1.539 2.158 -14.455 1.00 2.41 C ATOM 0 H ILE B 229 4.835 1.901 -17.153 1.00 62.13 H new ATOM 0 HA ILE B 229 3.089 4.142 -17.796 1.00 61.21 H new ATOM 0 HB ILE B 229 4.054 2.952 -15.176 1.00 73.43 H new ATOM 0 HG12 ILE B 229 1.277 3.016 -16.384 1.00 22.12 H new ATOM 0 HG13 ILE B 229 2.336 1.621 -16.353 1.00 22.12 H new ATOM 0 HG21 ILE B 229 2.507 4.561 -14.109 1.00 73.03 H new ATOM 0 HG22 ILE B 229 3.812 5.380 -14.999 1.00 73.03 H new ATOM 0 HG23 ILE B 229 2.180 5.283 -15.702 1.00 73.03 H new ATOM 0 HD11 ILE B 229 0.677 1.501 -14.568 1.00 2.41 H new ATOM 0 HD12 ILE B 229 2.316 1.643 -13.890 1.00 2.41 H new ATOM 0 HD13 ILE B 229 1.240 3.060 -13.922 1.00 2.41 H new ATOM 1539 N THR B 230 4.832 5.848 -17.398 1.00 73.11 N ATOM 1540 CA THR B 230 5.817 6.857 -17.361 1.00 61.33 C ATOM 1541 C THR B 230 5.255 8.112 -16.749 1.00 53.32 C ATOM 1542 O THR B 230 4.785 9.021 -17.436 1.00 50.40 O ATOM 1543 CB THR B 230 6.485 7.120 -18.739 1.00 63.10 C ATOM 1544 OG1 THR B 230 5.481 7.306 -19.763 1.00 23.10 O ATOM 1545 CG2 THR B 230 7.403 5.969 -19.123 1.00 74.10 C ATOM 0 H THR B 230 3.929 6.171 -17.746 1.00 73.11 H new ATOM 0 HA THR B 230 6.624 6.495 -16.724 1.00 61.33 H new ATOM 0 HB THR B 230 7.079 8.030 -18.655 1.00 63.10 H new ATOM 0 HG1 THR B 230 4.819 7.960 -19.457 1.00 23.10 H new ATOM 0 HG21 THR B 230 7.860 6.175 -20.091 1.00 74.10 H new ATOM 0 HG22 THR B 230 8.183 5.859 -18.370 1.00 74.10 H new ATOM 0 HG23 THR B 230 6.825 5.047 -19.183 1.00 74.10 H new ATOM 1553 N GLU B 231 5.215 8.104 -15.460 1.00 2.02 N ATOM 1554 CA GLU B 231 4.748 9.211 -14.690 1.00 14.12 C ATOM 1555 C GLU B 231 5.943 10.002 -14.280 1.00 21.20 C ATOM 1556 O GLU B 231 7.015 9.438 -14.228 1.00 74.02 O ATOM 1557 CB GLU B 231 3.919 8.764 -13.472 1.00 60.21 C ATOM 1558 CG GLU B 231 2.697 7.922 -13.838 1.00 5.34 C ATOM 1559 CD GLU B 231 1.875 8.555 -14.935 1.00 10.00 C ATOM 1560 OE1 GLU B 231 1.464 9.713 -14.784 1.00 44.32 O ATOM 1561 OE2 GLU B 231 1.615 7.901 -15.949 1.00 74.35 O ATOM 0 H GLU B 231 5.513 7.308 -14.896 1.00 2.02 H new ATOM 0 HA GLU B 231 4.074 9.822 -15.291 1.00 14.12 H new ATOM 0 HB2 GLU B 231 4.557 8.190 -12.800 1.00 60.21 H new ATOM 0 HB3 GLU B 231 3.590 9.647 -12.923 1.00 60.21 H new ATOM 0 HG2 GLU B 231 3.023 6.932 -14.156 1.00 5.34 H new ATOM 0 HG3 GLU B 231 2.075 7.784 -12.954 1.00 5.34 H new ATOM 1568 N GLY B 232 5.784 11.307 -14.113 1.00 41.22 N ATOM 1569 CA GLY B 232 6.889 12.192 -13.722 1.00 45.32 C ATOM 1570 C GLY B 232 7.876 11.558 -12.740 1.00 21.51 C ATOM 1571 O GLY B 232 7.516 11.264 -11.585 1.00 55.02 O ATOM 0 H GLY B 232 4.893 11.787 -14.242 1.00 41.22 H new ATOM 0 HA2 GLY B 232 7.430 12.499 -14.617 1.00 45.32 H new ATOM 0 HA3 GLY B 232 6.476 13.096 -13.274 1.00 45.32 H new ATOM 1575 N SER B 233 9.108 11.317 -13.238 1.00 64.31 N ATOM 1576 CA SER B 233 10.216 10.712 -12.478 1.00 63.11 C ATOM 1577 C SER B 233 9.974 9.211 -12.204 1.00 40.31 C ATOM 1578 O SER B 233 10.389 8.688 -11.165 1.00 54.23 O ATOM 1579 CB SER B 233 10.425 11.472 -11.162 1.00 61.14 C ATOM 1580 OG SER B 233 10.621 12.867 -11.401 1.00 60.11 O ATOM 0 H SER B 233 9.362 11.543 -14.200 1.00 64.31 H new ATOM 0 HA SER B 233 11.118 10.789 -13.085 1.00 63.11 H new ATOM 0 HB2 SER B 233 9.560 11.329 -10.514 1.00 61.14 H new ATOM 0 HB3 SER B 233 11.289 11.065 -10.636 1.00 61.14 H new ATOM 0 HG SER B 233 10.750 13.330 -10.547 1.00 60.11 H new ATOM 1586 N LEU B 234 9.340 8.516 -13.139 1.00 41.01 N ATOM 1587 CA LEU B 234 9.072 7.100 -12.961 1.00 34.03 C ATOM 1588 C LEU B 234 8.845 6.364 -14.285 1.00 22.02 C ATOM 1589 O LEU B 234 8.152 6.860 -15.175 1.00 74.14 O ATOM 1590 CB LEU B 234 7.842 6.910 -12.088 1.00 3.32 C ATOM 1591 CG LEU B 234 7.474 5.473 -11.797 1.00 40.34 C ATOM 1592 CD1 LEU B 234 8.519 4.792 -10.894 1.00 51.22 C ATOM 1593 CD2 LEU B 234 6.067 5.382 -11.237 1.00 21.43 C ATOM 0 H LEU B 234 9.005 8.907 -14.020 1.00 41.01 H new ATOM 0 HA LEU B 234 9.958 6.676 -12.488 1.00 34.03 H new ATOM 0 HB2 LEU B 234 8.005 7.425 -11.141 1.00 3.32 H new ATOM 0 HB3 LEU B 234 6.994 7.394 -12.572 1.00 3.32 H new ATOM 0 HG LEU B 234 7.481 4.921 -12.737 1.00 40.34 H new ATOM 0 HD11 LEU B 234 8.221 3.760 -10.706 1.00 51.22 H new ATOM 0 HD12 LEU B 234 9.490 4.805 -11.388 1.00 51.22 H new ATOM 0 HD13 LEU B 234 8.586 5.328 -9.947 1.00 51.22 H new ATOM 0 HD21 LEU B 234 5.823 4.339 -11.035 1.00 21.43 H new ATOM 0 HD22 LEU B 234 6.006 5.955 -10.312 1.00 21.43 H new ATOM 0 HD23 LEU B 234 5.360 5.786 -11.962 1.00 21.43 H new ATOM 1605 N ARG B 235 9.437 5.193 -14.404 1.00 54.30 N ATOM 1606 CA ARG B 235 9.208 4.300 -15.527 1.00 74.13 C ATOM 1607 C ARG B 235 8.841 2.910 -15.005 1.00 33.13 C ATOM 1608 O ARG B 235 9.646 2.256 -14.391 1.00 55.34 O ATOM 1609 CB ARG B 235 10.446 4.213 -16.430 1.00 32.35 C ATOM 1610 CG ARG B 235 10.809 5.513 -17.125 1.00 3.41 C ATOM 1611 CD ARG B 235 12.032 5.347 -17.996 1.00 20.23 C ATOM 1612 NE ARG B 235 12.317 6.562 -18.784 1.00 4.11 N ATOM 1613 CZ ARG B 235 13.458 6.799 -19.453 1.00 25.35 C ATOM 1614 NH1 ARG B 235 14.504 5.994 -19.304 1.00 5.54 N ATOM 1615 NH2 ARG B 235 13.556 7.870 -20.233 1.00 35.13 N ATOM 0 H ARG B 235 10.098 4.829 -13.718 1.00 54.30 H new ATOM 0 HA ARG B 235 8.387 4.698 -16.123 1.00 74.13 H new ATOM 0 HB2 ARG B 235 11.296 3.886 -15.830 1.00 32.35 H new ATOM 0 HB3 ARG B 235 10.276 3.446 -17.186 1.00 32.35 H new ATOM 0 HG2 ARG B 235 9.969 5.849 -17.734 1.00 3.41 H new ATOM 0 HG3 ARG B 235 10.993 6.287 -16.380 1.00 3.41 H new ATOM 0 HD2 ARG B 235 12.893 5.110 -17.371 1.00 20.23 H new ATOM 0 HD3 ARG B 235 11.885 4.503 -18.670 1.00 20.23 H new ATOM 0 HE ARG B 235 11.591 7.278 -18.824 1.00 4.11 H new ATOM 0 HH11 ARG B 235 14.444 5.190 -18.679 1.00 5.54 H new ATOM 0 HH12 ARG B 235 15.367 6.180 -19.815 1.00 5.54 H new ATOM 0 HH21 ARG B 235 12.766 8.510 -20.323 1.00 35.13 H new ATOM 0 HH22 ARG B 235 14.421 8.053 -20.742 1.00 35.13 H new ATOM 1629 N CYS B 236 7.635 2.490 -15.233 1.00 72.35 N ATOM 1630 CA CYS B 236 7.164 1.191 -14.763 1.00 15.33 C ATOM 1631 C CYS B 236 6.685 0.331 -15.910 1.00 10.43 C ATOM 1632 O CYS B 236 6.148 0.838 -16.866 1.00 43.30 O ATOM 1633 CB CYS B 236 6.040 1.364 -13.739 1.00 13.42 C ATOM 1634 SG CYS B 236 6.548 2.077 -12.149 1.00 73.42 S ATOM 0 H CYS B 236 6.937 3.026 -15.749 1.00 72.35 H new ATOM 0 HA CYS B 236 8.006 0.689 -14.287 1.00 15.33 H new ATOM 0 HB2 CYS B 236 5.268 1.999 -14.174 1.00 13.42 H new ATOM 0 HB3 CYS B 236 5.585 0.391 -13.554 1.00 13.42 H new ATOM 1639 N VAL B 237 6.895 -0.958 -15.810 1.00 54.01 N ATOM 1640 CA VAL B 237 6.458 -1.902 -16.829 1.00 4.02 C ATOM 1641 C VAL B 237 5.640 -2.998 -16.152 1.00 41.34 C ATOM 1642 O VAL B 237 6.085 -3.586 -15.155 1.00 71.51 O ATOM 1643 CB VAL B 237 7.656 -2.549 -17.592 1.00 30.32 C ATOM 1644 CG1 VAL B 237 7.166 -3.427 -18.731 1.00 55.44 C ATOM 1645 CG2 VAL B 237 8.631 -1.493 -18.102 1.00 51.03 C ATOM 0 H VAL B 237 7.374 -1.391 -15.021 1.00 54.01 H new ATOM 0 HA VAL B 237 5.862 -1.359 -17.563 1.00 4.02 H new ATOM 0 HB VAL B 237 8.193 -3.179 -16.883 1.00 30.32 H new ATOM 0 HG11 VAL B 237 8.021 -3.865 -19.246 1.00 55.44 H new ATOM 0 HG12 VAL B 237 6.536 -4.222 -18.332 1.00 55.44 H new ATOM 0 HG13 VAL B 237 6.590 -2.824 -19.433 1.00 55.44 H new ATOM 0 HG21 VAL B 237 9.452 -1.980 -18.628 1.00 51.03 H new ATOM 0 HG22 VAL B 237 8.113 -0.818 -18.783 1.00 51.03 H new ATOM 0 HG23 VAL B 237 9.026 -0.925 -17.260 1.00 51.03 H new ATOM 1655 N ILE B 238 4.460 -3.247 -16.674 1.00 20.21 N ATOM 1656 CA ILE B 238 3.529 -4.208 -16.107 1.00 13.53 C ATOM 1657 C ILE B 238 3.280 -5.337 -17.093 1.00 34.40 C ATOM 1658 O ILE B 238 2.864 -5.089 -18.208 1.00 53.04 O ATOM 1659 CB ILE B 238 2.166 -3.532 -15.847 1.00 61.22 C ATOM 1660 CG1 ILE B 238 2.341 -2.260 -15.021 1.00 72.33 C ATOM 1661 CG2 ILE B 238 1.203 -4.502 -15.150 1.00 73.13 C ATOM 1662 CD1 ILE B 238 1.063 -1.497 -14.840 1.00 33.34 C ATOM 0 H ILE B 238 4.112 -2.785 -17.514 1.00 20.21 H new ATOM 0 HA ILE B 238 3.961 -4.587 -15.181 1.00 13.53 H new ATOM 0 HB ILE B 238 1.735 -3.256 -16.810 1.00 61.22 H new ATOM 0 HG12 ILE B 238 2.743 -2.522 -14.042 1.00 72.33 H new ATOM 0 HG13 ILE B 238 3.076 -1.617 -15.506 1.00 72.33 H new ATOM 0 HG21 ILE B 238 0.249 -4.005 -14.976 1.00 73.13 H new ATOM 0 HG22 ILE B 238 1.047 -5.377 -15.782 1.00 73.13 H new ATOM 0 HG23 ILE B 238 1.628 -4.814 -14.196 1.00 73.13 H new ATOM 0 HD11 ILE B 238 1.254 -0.604 -14.245 1.00 33.34 H new ATOM 0 HD12 ILE B 238 0.671 -1.206 -15.815 1.00 33.34 H new ATOM 0 HD13 ILE B 238 0.334 -2.125 -14.329 1.00 33.34 H new ATOM 1674 N PHE B 239 3.529 -6.546 -16.676 1.00 4.32 N ATOM 1675 CA PHE B 239 3.285 -7.738 -17.486 1.00 35.23 C ATOM 1676 C PHE B 239 1.982 -8.379 -17.111 1.00 65.14 C ATOM 1677 O PHE B 239 1.812 -8.778 -15.961 1.00 35.34 O ATOM 1678 CB PHE B 239 4.382 -8.781 -17.265 1.00 23.54 C ATOM 1679 CG PHE B 239 5.689 -8.476 -17.901 1.00 72.51 C ATOM 1680 CD1 PHE B 239 6.537 -7.495 -17.400 1.00 30.43 C ATOM 1681 CD2 PHE B 239 6.067 -9.179 -19.026 1.00 52.12 C ATOM 1682 CE1 PHE B 239 7.742 -7.230 -18.026 1.00 45.42 C ATOM 1683 CE2 PHE B 239 7.252 -8.927 -19.653 1.00 74.52 C ATOM 1684 CZ PHE B 239 8.101 -7.950 -19.156 1.00 52.04 C ATOM 0 H PHE B 239 3.913 -6.750 -15.753 1.00 4.32 H new ATOM 0 HA PHE B 239 3.268 -7.416 -18.527 1.00 35.23 H new ATOM 0 HB2 PHE B 239 4.538 -8.898 -16.193 1.00 23.54 H new ATOM 0 HB3 PHE B 239 4.029 -9.741 -17.642 1.00 23.54 H new ATOM 0 HD1 PHE B 239 6.254 -6.938 -16.519 1.00 30.43 H new ATOM 0 HD2 PHE B 239 5.412 -9.943 -19.418 1.00 52.12 H new ATOM 0 HE1 PHE B 239 8.400 -6.467 -17.637 1.00 45.42 H new ATOM 0 HE2 PHE B 239 7.528 -9.487 -20.534 1.00 74.52 H new ATOM 0 HZ PHE B 239 9.041 -7.750 -19.648 1.00 52.04 H new ATOM 1694 N ILE B 240 1.067 -8.485 -18.050 1.00 4.24 N ATOM 1695 CA ILE B 240 -0.151 -9.193 -17.777 1.00 15.52 C ATOM 1696 C ILE B 240 0.029 -10.592 -18.287 1.00 21.24 C ATOM 1697 O ILE B 240 0.253 -10.778 -19.480 1.00 65.01 O ATOM 1698 CB ILE B 240 -1.368 -8.595 -18.519 1.00 24.52 C ATOM 1699 CG1 ILE B 240 -1.405 -7.091 -18.365 1.00 72.14 C ATOM 1700 CG2 ILE B 240 -2.655 -9.221 -18.002 1.00 3.51 C ATOM 1701 CD1 ILE B 240 -2.678 -6.461 -18.865 1.00 23.42 C ATOM 0 H ILE B 240 1.145 -8.096 -18.990 1.00 4.24 H new ATOM 0 HA ILE B 240 -0.343 -9.137 -16.706 1.00 15.52 H new ATOM 0 HB ILE B 240 -1.272 -8.821 -19.581 1.00 24.52 H new ATOM 0 HG12 ILE B 240 -1.275 -6.839 -17.312 1.00 72.14 H new ATOM 0 HG13 ILE B 240 -0.561 -6.659 -18.903 1.00 72.14 H new ATOM 0 HG21 ILE B 240 -3.506 -8.793 -18.531 1.00 3.51 H new ATOM 0 HG22 ILE B 240 -2.628 -10.298 -18.169 1.00 3.51 H new ATOM 0 HG23 ILE B 240 -2.754 -9.021 -16.935 1.00 3.51 H new ATOM 0 HD11 ILE B 240 -2.631 -5.382 -18.721 1.00 23.42 H new ATOM 0 HD12 ILE B 240 -2.801 -6.681 -19.926 1.00 23.42 H new ATOM 0 HD13 ILE B 240 -3.526 -6.864 -18.311 1.00 23.42 H new ATOM 1713 N THR B 241 -0.034 -11.568 -17.427 1.00 25.11 N ATOM 1714 CA THR B 241 0.068 -12.903 -17.883 1.00 74.31 C ATOM 1715 C THR B 241 -1.138 -13.673 -17.420 1.00 32.53 C ATOM 1716 O THR B 241 -1.863 -13.209 -16.550 1.00 61.25 O ATOM 1717 CB THR B 241 1.371 -13.624 -17.416 1.00 72.23 C ATOM 1718 OG1 THR B 241 1.379 -13.806 -15.994 1.00 31.43 O ATOM 1719 CG2 THR B 241 2.624 -12.849 -17.810 1.00 42.15 C ATOM 0 H THR B 241 -0.154 -11.456 -16.420 1.00 25.11 H new ATOM 0 HA THR B 241 0.114 -12.868 -18.971 1.00 74.31 H new ATOM 0 HB THR B 241 1.380 -14.593 -17.915 1.00 72.23 H new ATOM 0 HG1 THR B 241 1.226 -12.944 -15.553 1.00 31.43 H new ATOM 0 HG21 THR B 241 3.508 -13.386 -17.465 1.00 42.15 H new ATOM 0 HG22 THR B 241 2.662 -12.746 -18.894 1.00 42.15 H new ATOM 0 HG23 THR B 241 2.599 -11.860 -17.352 1.00 42.15 H new ATOM 1727 N LYS B 242 -1.352 -14.846 -17.981 1.00 23.24 N ATOM 1728 CA LYS B 242 -2.482 -15.672 -17.568 1.00 54.40 C ATOM 1729 C LYS B 242 -2.267 -16.375 -16.216 1.00 54.53 C ATOM 1730 O LYS B 242 -3.135 -17.089 -15.719 1.00 21.00 O ATOM 1731 CB LYS B 242 -3.017 -16.593 -18.698 1.00 25.55 C ATOM 1732 CG LYS B 242 -1.979 -17.390 -19.489 1.00 4.40 C ATOM 1733 CD LYS B 242 -1.209 -18.370 -18.646 1.00 75.41 C ATOM 1734 CE LYS B 242 -0.236 -19.155 -19.511 1.00 22.41 C ATOM 1735 NZ LYS B 242 0.541 -20.122 -18.728 1.00 71.14 N ATOM 0 H LYS B 242 -0.770 -15.250 -18.715 1.00 23.24 H new ATOM 0 HA LYS B 242 -3.300 -14.977 -17.378 1.00 54.40 H new ATOM 0 HB2 LYS B 242 -3.722 -17.298 -18.256 1.00 25.55 H new ATOM 0 HB3 LYS B 242 -3.579 -15.977 -19.400 1.00 25.55 H new ATOM 0 HG2 LYS B 242 -2.481 -17.929 -20.293 1.00 4.40 H new ATOM 0 HG3 LYS B 242 -1.280 -16.697 -19.958 1.00 4.40 H new ATOM 0 HD2 LYS B 242 -0.666 -17.840 -17.864 1.00 75.41 H new ATOM 0 HD3 LYS B 242 -1.898 -19.053 -18.149 1.00 75.41 H new ATOM 0 HE2 LYS B 242 -0.787 -19.680 -20.291 1.00 22.41 H new ATOM 0 HE3 LYS B 242 0.443 -18.464 -20.011 1.00 22.41 H new ATOM 0 HZ1 LYS B 242 1.191 -20.635 -19.357 1.00 71.14 H new ATOM 0 HZ2 LYS B 242 1.088 -19.620 -18.000 1.00 71.14 H new ATOM 0 HZ3 LYS B 242 -0.104 -20.798 -18.272 1.00 71.14 H new ATOM 1749 N ARG B 243 -1.103 -16.171 -15.635 1.00 1.25 N ATOM 1750 CA ARG B 243 -0.865 -16.606 -14.283 1.00 54.02 C ATOM 1751 C ARG B 243 -1.022 -15.429 -13.363 1.00 23.02 C ATOM 1752 O ARG B 243 -1.871 -15.420 -12.504 1.00 63.10 O ATOM 1753 CB ARG B 243 0.519 -17.230 -14.077 1.00 4.34 C ATOM 1754 CG ARG B 243 0.729 -18.575 -14.734 1.00 63.01 C ATOM 1755 CD ARG B 243 2.111 -19.120 -14.395 1.00 12.41 C ATOM 1756 NE ARG B 243 2.329 -20.481 -14.910 1.00 61.31 N ATOM 1757 CZ ARG B 243 3.466 -21.186 -14.755 1.00 41.15 C ATOM 1758 NH1 ARG B 243 4.500 -20.659 -14.121 1.00 14.44 N ATOM 1759 NH2 ARG B 243 3.558 -22.418 -15.234 1.00 73.00 N ATOM 0 H ARG B 243 -0.311 -15.707 -16.080 1.00 1.25 H new ATOM 0 HA ARG B 243 -1.594 -17.386 -14.062 1.00 54.02 H new ATOM 0 HB2 ARG B 243 1.271 -16.538 -14.457 1.00 4.34 H new ATOM 0 HB3 ARG B 243 0.695 -17.336 -13.007 1.00 4.34 H new ATOM 0 HG2 ARG B 243 -0.037 -19.274 -14.399 1.00 63.01 H new ATOM 0 HG3 ARG B 243 0.623 -18.480 -15.815 1.00 63.01 H new ATOM 0 HD2 ARG B 243 2.870 -18.455 -14.807 1.00 12.41 H new ATOM 0 HD3 ARG B 243 2.241 -19.121 -13.313 1.00 12.41 H new ATOM 0 HE ARG B 243 1.564 -20.922 -15.421 1.00 61.31 H new ATOM 0 HH11 ARG B 243 4.440 -19.713 -13.746 1.00 14.44 H new ATOM 0 HH12 ARG B 243 5.358 -21.199 -14.007 1.00 14.44 H new ATOM 0 HH21 ARG B 243 2.766 -22.836 -15.722 1.00 73.00 H new ATOM 0 HH22 ARG B 243 4.421 -22.949 -15.114 1.00 73.00 H new ATOM 1773 N GLY B 244 -0.221 -14.411 -13.585 1.00 32.14 N ATOM 1774 CA GLY B 244 -0.233 -13.263 -12.710 1.00 13.05 C ATOM 1775 C GLY B 244 0.333 -12.036 -13.364 1.00 51.21 C ATOM 1776 O GLY B 244 0.303 -11.909 -14.589 1.00 13.01 O ATOM 0 H GLY B 244 0.442 -14.355 -14.358 1.00 32.14 H new ATOM 0 HA2 GLY B 244 -1.256 -13.063 -12.393 1.00 13.05 H new ATOM 0 HA3 GLY B 244 0.341 -13.489 -11.811 1.00 13.05 H new ATOM 1780 N LEU B 245 0.860 -11.138 -12.571 1.00 50.13 N ATOM 1781 CA LEU B 245 1.386 -9.891 -13.100 1.00 32.41 C ATOM 1782 C LEU B 245 2.770 -9.567 -12.552 1.00 34.54 C ATOM 1783 O LEU B 245 3.086 -9.864 -11.386 1.00 4.22 O ATOM 1784 CB LEU B 245 0.442 -8.688 -12.854 1.00 3.14 C ATOM 1785 CG LEU B 245 -0.909 -8.655 -13.602 1.00 61.32 C ATOM 1786 CD1 LEU B 245 -1.925 -9.632 -13.021 1.00 4.13 C ATOM 1787 CD2 LEU B 245 -1.460 -7.245 -13.643 1.00 5.33 C ATOM 0 H LEU B 245 0.939 -11.240 -11.559 1.00 50.13 H new ATOM 0 HA LEU B 245 1.463 -10.051 -14.175 1.00 32.41 H new ATOM 0 HB2 LEU B 245 0.232 -8.643 -11.785 1.00 3.14 H new ATOM 0 HB3 LEU B 245 0.987 -7.779 -13.111 1.00 3.14 H new ATOM 0 HG LEU B 245 -0.719 -8.983 -14.624 1.00 61.32 H new ATOM 0 HD11 LEU B 245 -2.856 -9.567 -13.585 1.00 4.13 H new ATOM 0 HD12 LEU B 245 -1.532 -10.647 -13.085 1.00 4.13 H new ATOM 0 HD13 LEU B 245 -2.115 -9.382 -11.977 1.00 4.13 H new ATOM 0 HD21 LEU B 245 -2.412 -7.242 -14.174 1.00 5.33 H new ATOM 0 HD22 LEU B 245 -1.610 -6.883 -12.626 1.00 5.33 H new ATOM 0 HD23 LEU B 245 -0.755 -6.594 -14.159 1.00 5.33 H new ATOM 1799 N LYS B 246 3.584 -8.964 -13.393 1.00 32.13 N ATOM 1800 CA LYS B 246 4.909 -8.510 -13.011 1.00 40.44 C ATOM 1801 C LYS B 246 4.932 -7.010 -13.108 1.00 4.02 C ATOM 1802 O LYS B 246 4.506 -6.459 -14.117 1.00 63.32 O ATOM 1803 CB LYS B 246 5.989 -9.018 -13.972 1.00 4.53 C ATOM 1804 CG LYS B 246 7.401 -8.618 -13.544 1.00 40.42 C ATOM 1805 CD LYS B 246 8.441 -8.785 -14.640 1.00 41.31 C ATOM 1806 CE LYS B 246 8.404 -10.150 -15.287 1.00 44.14 C ATOM 1807 NZ LYS B 246 9.526 -10.339 -16.234 1.00 71.45 N ATOM 0 H LYS B 246 3.346 -8.773 -14.366 1.00 32.13 H new ATOM 0 HA LYS B 246 5.112 -8.882 -12.007 1.00 40.44 H new ATOM 0 HB2 LYS B 246 5.928 -10.104 -14.037 1.00 4.53 H new ATOM 0 HB3 LYS B 246 5.793 -8.627 -14.970 1.00 4.53 H new ATOM 0 HG2 LYS B 246 7.392 -7.578 -13.219 1.00 40.42 H new ATOM 0 HG3 LYS B 246 7.694 -9.218 -12.683 1.00 40.42 H new ATOM 0 HD2 LYS B 246 8.282 -8.023 -15.403 1.00 41.31 H new ATOM 0 HD3 LYS B 246 9.433 -8.614 -14.221 1.00 41.31 H new ATOM 0 HE2 LYS B 246 8.446 -10.919 -14.516 1.00 44.14 H new ATOM 0 HE3 LYS B 246 7.458 -10.277 -15.814 1.00 44.14 H new ATOM 0 HZ1 LYS B 246 9.467 -11.287 -16.658 1.00 71.45 H new ATOM 0 HZ2 LYS B 246 9.472 -9.620 -16.984 1.00 71.45 H new ATOM 0 HZ3 LYS B 246 10.429 -10.243 -15.726 1.00 71.45 H new ATOM 1821 N VAL B 247 5.414 -6.358 -12.102 1.00 65.12 N ATOM 1822 CA VAL B 247 5.574 -4.924 -12.165 1.00 31.40 C ATOM 1823 C VAL B 247 7.029 -4.539 -11.893 1.00 54.41 C ATOM 1824 O VAL B 247 7.632 -4.941 -10.891 1.00 2.11 O ATOM 1825 CB VAL B 247 4.597 -4.138 -11.232 1.00 34.00 C ATOM 1826 CG1 VAL B 247 3.151 -4.392 -11.620 1.00 42.15 C ATOM 1827 CG2 VAL B 247 4.819 -4.493 -9.783 1.00 23.43 C ATOM 0 H VAL B 247 5.707 -6.785 -11.223 1.00 65.12 H new ATOM 0 HA VAL B 247 5.307 -4.629 -13.180 1.00 31.40 H new ATOM 0 HB VAL B 247 4.808 -3.076 -11.359 1.00 34.00 H new ATOM 0 HG11 VAL B 247 2.492 -3.833 -10.955 1.00 42.15 H new ATOM 0 HG12 VAL B 247 2.988 -4.069 -12.648 1.00 42.15 H new ATOM 0 HG13 VAL B 247 2.933 -5.457 -11.536 1.00 42.15 H new ATOM 0 HG21 VAL B 247 4.124 -3.930 -9.160 1.00 23.43 H new ATOM 0 HG22 VAL B 247 4.651 -5.560 -9.640 1.00 23.43 H new ATOM 0 HG23 VAL B 247 5.842 -4.246 -9.500 1.00 23.43 H new ATOM 1837 N CYS B 248 7.604 -3.820 -12.786 1.00 42.50 N ATOM 1838 CA CYS B 248 8.961 -3.404 -12.619 1.00 23.00 C ATOM 1839 C CYS B 248 9.000 -1.908 -12.698 1.00 23.25 C ATOM 1840 O CYS B 248 8.342 -1.333 -13.551 1.00 15.14 O ATOM 1841 CB CYS B 248 9.835 -4.012 -13.703 1.00 33.21 C ATOM 1842 SG CYS B 248 11.617 -3.809 -13.407 1.00 13.05 S ATOM 0 H CYS B 248 7.159 -3.502 -13.647 1.00 42.50 H new ATOM 0 HA CYS B 248 9.342 -3.739 -11.654 1.00 23.00 H new ATOM 0 HB2 CYS B 248 9.609 -5.075 -13.786 1.00 33.21 H new ATOM 0 HB3 CYS B 248 9.581 -3.556 -14.660 1.00 33.21 H new ATOM 1847 N CYS B 249 9.745 -1.270 -11.826 1.00 32.50 N ATOM 1848 CA CYS B 249 9.773 0.167 -11.814 1.00 0.43 C ATOM 1849 C CYS B 249 11.157 0.740 -11.690 1.00 2.11 C ATOM 1850 O CYS B 249 11.974 0.294 -10.879 1.00 73.34 O ATOM 1851 CB CYS B 249 8.855 0.740 -10.736 1.00 4.34 C ATOM 1852 SG CYS B 249 7.081 0.465 -11.029 1.00 12.20 S ATOM 0 H CYS B 249 10.333 -1.720 -11.124 1.00 32.50 H new ATOM 0 HA CYS B 249 9.397 0.472 -12.791 1.00 0.43 H new ATOM 0 HB2 CYS B 249 9.124 0.299 -9.776 1.00 4.34 H new ATOM 0 HB3 CYS B 249 9.035 1.812 -10.656 1.00 4.34 H new ATOM 1857 N ASP B 250 11.395 1.717 -12.508 1.00 33.23 N ATOM 1858 CA ASP B 250 12.601 2.485 -12.543 1.00 23.53 C ATOM 1859 C ASP B 250 12.244 3.943 -12.340 1.00 72.34 C ATOM 1860 O ASP B 250 11.747 4.593 -13.237 1.00 53.53 O ATOM 1861 CB ASP B 250 13.318 2.294 -13.879 1.00 54.33 C ATOM 1862 CG ASP B 250 14.508 3.216 -14.055 1.00 10.24 C ATOM 1863 OD1 ASP B 250 15.408 3.207 -13.198 1.00 55.40 O ATOM 1864 OD2 ASP B 250 14.550 3.960 -15.052 1.00 24.52 O ATOM 0 H ASP B 250 10.716 2.017 -13.208 1.00 33.23 H new ATOM 0 HA ASP B 250 13.274 2.153 -11.753 1.00 23.53 H new ATOM 0 HB2 ASP B 250 13.653 1.260 -13.960 1.00 54.33 H new ATOM 0 HB3 ASP B 250 12.611 2.465 -14.691 1.00 54.33 H new ATOM 1869 N PRO B 251 12.437 4.460 -11.137 1.00 70.43 N ATOM 1870 CA PRO B 251 12.128 5.851 -10.806 1.00 34.02 C ATOM 1871 C PRO B 251 13.194 6.838 -11.316 1.00 60.24 C ATOM 1872 O PRO B 251 13.226 7.998 -10.891 1.00 75.55 O ATOM 1873 CB PRO B 251 12.083 5.834 -9.285 1.00 13.32 C ATOM 1874 CG PRO B 251 13.055 4.783 -8.921 1.00 13.32 C ATOM 1875 CD PRO B 251 12.955 3.731 -9.988 1.00 4.42 C ATOM 0 HA PRO B 251 11.204 6.190 -11.273 1.00 34.02 H new ATOM 0 HB2 PRO B 251 12.361 6.800 -8.865 1.00 13.32 H new ATOM 0 HB3 PRO B 251 11.084 5.602 -8.916 1.00 13.32 H new ATOM 0 HG2 PRO B 251 14.065 5.189 -8.868 1.00 13.32 H new ATOM 0 HG3 PRO B 251 12.827 4.365 -7.940 1.00 13.32 H new ATOM 0 HD2 PRO B 251 13.925 3.282 -10.201 1.00 4.42 H new ATOM 0 HD3 PRO B 251 12.288 2.921 -9.692 1.00 4.42 H new