USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 157 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 1.2: A 222 SER OG : rot 115:sc= 0.00561 USER MOD Set 2.1: A 162 GLN : amide:sc= -0.536 K(o=-0.59,f=-1.3) USER MOD Set 2.2: A 215 GLN : amide:sc= 0 K(o=-0.59,f=-1.2) USER MOD Set 2.3: A 217 MET CE :methyl -156:sc= -0.0527 (180deg=-0.115) USER MOD Single : A 152 LYS NZ :NH3+ -134:sc= -1.94 (180deg=-5.12!) USER MOD Single : A 159 ASN : amide:sc= -4.03! C(o=-4!,f=-6.4!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.664 K(o=-0.66,f=-4.5!) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 7:sc= 0.526 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 LYS NZ :NH3+ -167:sc=-0.00589 (180deg=-0.157) USER MOD Single : A 193 CYS SG : rot -6:sc= -1 USER MOD Single : A 197 LYS NZ :NH3+ 179:sc= -0.0811 (180deg=-0.0821) USER MOD Single : A 198 TYR OH : rot 7:sc= -0.261 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot -93:sc= 1.24 USER MOD Single : A 201 HIS :FLIP no HD1:sc= -0.547 F(o=-1.5!,f=-0.55) USER MOD Single : A 205 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 HIS : no HE2:sc= -2.85! C(o=-2.8!,f=-13!) USER MOD Single : A 214 SER OG : rot -139:sc= 0.0192 USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.199 2.475 2.799 1.00 0.00 N ATOM 218 CA LYS A 152 4.785 2.805 2.661 1.00 0.00 C ATOM 219 C LYS A 152 4.161 2.046 1.494 1.00 0.00 C ATOM 220 O LYS A 152 4.857 1.630 0.567 1.00 0.00 O ATOM 221 CB LYS A 152 4.609 4.311 2.455 1.00 0.00 C ATOM 222 CG LYS A 152 3.261 4.835 2.921 1.00 0.00 C ATOM 223 CD LYS A 152 3.309 5.287 4.371 1.00 0.00 C ATOM 224 CE LYS A 152 1.963 5.107 5.056 1.00 0.00 C ATOM 225 NZ LYS A 152 2.108 4.944 6.529 1.00 0.00 N ATOM 0 HA LYS A 152 4.277 2.508 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.399 4.837 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.733 4.542 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.956 5.669 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.507 4.056 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.069 4.718 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.604 6.335 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 152 1.331 5.970 4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.459 4.234 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 1.517 4.151 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 3.103 4.751 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 1.805 5.817 7.006 1.00 0.00 H new ATOM 239 N LEU A 153 2.845 1.869 1.545 1.00 0.00 N ATOM 240 CA LEU A 153 2.127 1.161 0.492 1.00 0.00 C ATOM 241 C LEU A 153 1.006 2.024 -0.078 1.00 0.00 C ATOM 242 O LEU A 153 0.077 2.405 0.636 1.00 0.00 O ATOM 243 CB LEU A 153 1.553 -0.151 1.031 1.00 0.00 C ATOM 244 CG LEU A 153 2.546 -1.302 1.193 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.925 -2.434 1.996 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.009 -1.802 -0.167 1.00 0.00 C ATOM 0 H LEU A 153 2.254 2.206 2.305 1.00 0.00 H new ATOM 0 HA LEU A 153 2.833 0.939 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 153 1.096 0.047 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.756 -0.477 0.363 1.00 0.00 H new ATOM 0 HG LEU A 153 3.415 -0.933 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.647 -3.244 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.644 -2.068 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.038 -2.802 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.715 -2.621 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.149 -2.154 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.495 -0.989 -0.707 1.00 0.00 H new ATOM 258 N PHE A 154 1.097 2.328 -1.368 1.00 0.00 N ATOM 259 CA PHE A 154 0.089 3.145 -2.034 1.00 0.00 C ATOM 260 C PHE A 154 -1.025 2.275 -2.607 1.00 0.00 C ATOM 261 O PHE A 154 -0.781 1.400 -3.438 1.00 0.00 O ATOM 262 CB PHE A 154 0.730 3.973 -3.150 1.00 0.00 C ATOM 263 CG PHE A 154 -0.264 4.743 -3.972 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.810 5.923 -3.495 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.652 4.286 -5.221 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.726 6.633 -4.249 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.567 4.991 -5.980 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.104 6.167 -5.493 1.00 0.00 C ATOM 0 H PHE A 154 1.858 2.021 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.344 3.818 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.443 4.670 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.295 3.310 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.517 6.293 -2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -0.234 3.368 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.146 7.551 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.862 4.623 -6.952 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.818 6.721 -6.084 1.00 0.00 H new ATOM 278 N VAL A 155 -2.251 2.521 -2.155 1.00 0.00 N ATOM 279 CA VAL A 155 -3.405 1.761 -2.622 1.00 0.00 C ATOM 280 C VAL A 155 -4.392 2.658 -3.360 1.00 0.00 C ATOM 281 O VAL A 155 -4.944 3.596 -2.785 1.00 0.00 O ATOM 282 CB VAL A 155 -4.131 1.069 -1.454 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.196 0.116 -1.976 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.136 0.335 -0.568 1.00 0.00 C ATOM 0 H VAL A 155 -2.471 3.240 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.028 1.001 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.624 1.833 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.698 -0.364 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -5.925 0.672 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -4.729 -0.644 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.667 -0.148 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.613 -0.419 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.415 1.046 -0.165 1.00 0.00 H new ATOM 294 N GLY A 156 -4.611 2.364 -4.638 1.00 0.00 N ATOM 295 CA GLY A 156 -5.532 3.153 -5.434 1.00 0.00 C ATOM 296 C GLY A 156 -6.702 2.337 -5.946 1.00 0.00 C ATOM 297 O GLY A 156 -7.057 1.314 -5.361 1.00 0.00 O ATOM 0 H GLY A 156 -4.167 1.593 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.906 3.983 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.998 3.586 -6.279 1.00 0.00 H new ATOM 301 N MET A 157 -7.304 2.790 -7.041 1.00 0.00 N ATOM 302 CA MET A 157 -8.442 2.094 -7.631 1.00 0.00 C ATOM 303 C MET A 157 -9.470 1.732 -6.564 1.00 0.00 C ATOM 304 O MET A 157 -10.123 0.690 -6.645 1.00 0.00 O ATOM 305 CB MET A 157 -7.974 0.830 -8.355 1.00 0.00 C ATOM 306 CG MET A 157 -7.404 1.098 -9.738 1.00 0.00 C ATOM 307 SD MET A 157 -8.608 1.845 -10.853 1.00 0.00 S ATOM 308 CE MET A 157 -7.623 2.036 -12.337 1.00 0.00 C ATOM 0 H MET A 157 -7.023 3.636 -7.538 1.00 0.00 H new ATOM 0 HA MET A 157 -8.912 2.763 -8.351 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.216 0.333 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.813 0.140 -8.444 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.540 1.756 -9.649 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.049 0.162 -10.168 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.275 2.266 -13.179 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.909 2.848 -12.198 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.084 1.110 -12.538 1.00 0.00 H new ATOM 318 N LEU A 158 -9.610 2.597 -5.566 1.00 0.00 N ATOM 319 CA LEU A 158 -10.560 2.368 -4.483 1.00 0.00 C ATOM 320 C LEU A 158 -11.879 3.085 -4.754 1.00 0.00 C ATOM 321 O LEU A 158 -11.960 3.947 -5.628 1.00 0.00 O ATOM 322 CB LEU A 158 -9.972 2.845 -3.153 1.00 0.00 C ATOM 323 CG LEU A 158 -8.790 2.038 -2.615 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.320 2.604 -1.284 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.167 0.571 -2.470 1.00 0.00 C ATOM 0 H LEU A 158 -9.078 3.463 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.755 1.297 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.656 3.882 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.764 2.835 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 158 -7.969 2.112 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.478 2.017 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -8.009 3.640 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -9.135 2.561 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.314 0.012 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.004 0.477 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.454 0.171 -3.443 1.00 0.00 H new ATOM 337 N ASN A 159 -12.910 2.722 -3.998 1.00 0.00 N ATOM 338 CA ASN A 159 -14.225 3.332 -4.156 1.00 0.00 C ATOM 339 C ASN A 159 -14.483 4.361 -3.059 1.00 0.00 C ATOM 340 O ASN A 159 -13.814 4.365 -2.026 1.00 0.00 O ATOM 341 CB ASN A 159 -15.315 2.258 -4.129 1.00 0.00 C ATOM 342 CG ASN A 159 -15.085 1.228 -3.040 1.00 0.00 C ATOM 343 OD1 ASN A 159 -15.768 1.229 -2.016 1.00 0.00 O ATOM 344 ND2 ASN A 159 -14.119 0.343 -3.257 1.00 0.00 N ATOM 0 H ASN A 159 -12.860 2.009 -3.270 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.248 3.841 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -16.285 2.732 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.352 1.758 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -13.918 -0.374 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -13.578 0.380 -4.121 1.00 0.00 H new ATOM 351 N LYS A 160 -15.459 5.232 -3.291 1.00 0.00 N ATOM 352 CA LYS A 160 -15.809 6.266 -2.324 1.00 0.00 C ATOM 353 C LYS A 160 -16.792 5.731 -1.287 1.00 0.00 C ATOM 354 O LYS A 160 -17.646 6.466 -0.793 1.00 0.00 O ATOM 355 CB LYS A 160 -16.412 7.478 -3.037 1.00 0.00 C ATOM 356 CG LYS A 160 -15.499 8.080 -4.090 1.00 0.00 C ATOM 357 CD LYS A 160 -16.078 9.363 -4.663 1.00 0.00 C ATOM 358 CE LYS A 160 -15.054 10.111 -5.503 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.088 9.682 -6.929 1.00 0.00 N ATOM 0 H LYS A 160 -16.022 5.243 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.897 6.572 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.350 7.183 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.653 8.242 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.522 8.285 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.344 7.359 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -16.950 9.129 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.421 10.003 -3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -15.246 11.182 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -14.057 9.942 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.376 10.214 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -14.880 8.665 -6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -16.032 9.867 -7.325 1.00 0.00 H new ATOM 373 N GLN A 161 -16.664 4.448 -0.964 1.00 0.00 N ATOM 374 CA GLN A 161 -17.542 3.816 0.015 1.00 0.00 C ATOM 375 C GLN A 161 -16.739 3.249 1.180 1.00 0.00 C ATOM 376 O GLN A 161 -17.047 3.509 2.343 1.00 0.00 O ATOM 377 CB GLN A 161 -18.360 2.705 -0.645 1.00 0.00 C ATOM 378 CG GLN A 161 -19.675 2.417 0.060 1.00 0.00 C ATOM 379 CD GLN A 161 -20.726 3.476 -0.207 1.00 0.00 C ATOM 380 OE1 GLN A 161 -20.429 4.671 -0.223 1.00 0.00 O ATOM 381 NE2 GLN A 161 -21.963 3.043 -0.420 1.00 0.00 N ATOM 0 H GLN A 161 -15.962 3.826 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.221 4.576 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.565 2.982 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.764 1.793 -0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -20.052 1.447 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -19.499 2.348 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -22.164 2.043 -0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -22.712 3.710 -0.606 1.00 0.00 H new ATOM 390 N GLN A 162 -15.708 2.473 0.860 1.00 0.00 N ATOM 391 CA GLN A 162 -14.861 1.868 1.882 1.00 0.00 C ATOM 392 C GLN A 162 -14.515 2.879 2.970 1.00 0.00 C ATOM 393 O GLN A 162 -14.606 4.088 2.760 1.00 0.00 O ATOM 394 CB GLN A 162 -13.580 1.319 1.252 1.00 0.00 C ATOM 395 CG GLN A 162 -13.830 0.296 0.157 1.00 0.00 C ATOM 396 CD GLN A 162 -12.681 -0.681 -0.003 1.00 0.00 C ATOM 397 OE1 GLN A 162 -11.523 -0.280 -0.123 1.00 0.00 O ATOM 398 NE2 GLN A 162 -12.996 -1.971 -0.005 1.00 0.00 N ATOM 0 H GLN A 162 -15.439 2.249 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.414 1.047 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.004 2.147 0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.969 0.863 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.742 -0.256 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -13.996 0.814 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -13.969 -2.258 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -12.265 -2.674 -0.109 1.00 0.00 H new ATOM 407 N SER A 163 -14.118 2.375 4.134 1.00 0.00 N ATOM 408 CA SER A 163 -13.762 3.234 5.257 1.00 0.00 C ATOM 409 C SER A 163 -12.527 2.702 5.978 1.00 0.00 C ATOM 410 O SER A 163 -12.091 1.577 5.735 1.00 0.00 O ATOM 411 CB SER A 163 -14.932 3.339 6.237 1.00 0.00 C ATOM 412 OG SER A 163 -15.889 4.283 5.790 1.00 0.00 O ATOM 0 H SER A 163 -14.035 1.376 4.324 1.00 0.00 H new ATOM 0 HA SER A 163 -13.534 4.226 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 163 -15.404 2.363 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.562 3.630 7.220 1.00 0.00 H new ATOM 0 HG SER A 163 -16.627 4.330 6.433 1.00 0.00 H new ATOM 418 N GLU A 164 -11.969 3.520 6.865 1.00 0.00 N ATOM 419 CA GLU A 164 -10.783 3.132 7.620 1.00 0.00 C ATOM 420 C GLU A 164 -10.970 1.759 8.259 1.00 0.00 C ATOM 421 O GLU A 164 -10.106 0.889 8.150 1.00 0.00 O ATOM 422 CB GLU A 164 -10.476 4.172 8.700 1.00 0.00 C ATOM 423 CG GLU A 164 -9.552 5.283 8.230 1.00 0.00 C ATOM 424 CD GLU A 164 -9.481 6.437 9.211 1.00 0.00 C ATOM 425 OE1 GLU A 164 -8.812 6.287 10.255 1.00 0.00 O ATOM 426 OE2 GLU A 164 -10.093 7.489 8.936 1.00 0.00 O ATOM 0 H GLU A 164 -12.319 4.454 7.078 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.943 3.080 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.412 4.611 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -10.023 3.672 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.551 4.878 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.896 5.653 7.264 1.00 0.00 H new ATOM 433 N ASP A 165 -12.103 1.574 8.927 1.00 0.00 N ATOM 434 CA ASP A 165 -12.405 0.307 9.584 1.00 0.00 C ATOM 435 C ASP A 165 -12.275 -0.857 8.606 1.00 0.00 C ATOM 436 O ASP A 165 -11.523 -1.801 8.848 1.00 0.00 O ATOM 437 CB ASP A 165 -13.816 0.338 10.174 1.00 0.00 C ATOM 438 CG ASP A 165 -13.968 -0.596 11.359 1.00 0.00 C ATOM 439 OD1 ASP A 165 -12.979 -0.781 12.098 1.00 0.00 O ATOM 440 OD2 ASP A 165 -15.076 -1.142 11.546 1.00 0.00 O ATOM 0 H ASP A 165 -12.828 2.285 9.028 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.685 0.163 10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -14.055 1.355 10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -14.535 0.062 9.403 1.00 0.00 H new ATOM 445 N ASP A 166 -13.012 -0.782 7.504 1.00 0.00 N ATOM 446 CA ASP A 166 -12.979 -1.829 6.490 1.00 0.00 C ATOM 447 C ASP A 166 -11.541 -2.195 6.133 1.00 0.00 C ATOM 448 O ASP A 166 -11.081 -3.300 6.424 1.00 0.00 O ATOM 449 CB ASP A 166 -13.729 -1.378 5.235 1.00 0.00 C ATOM 450 CG ASP A 166 -15.149 -0.939 5.536 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.985 -1.812 5.850 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.424 0.276 5.457 1.00 0.00 O ATOM 0 H ASP A 166 -13.640 -0.007 7.290 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.469 -2.712 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.188 -0.555 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.749 -2.195 4.514 1.00 0.00 H new ATOM 457 N VAL A 167 -10.837 -1.262 5.502 1.00 0.00 N ATOM 458 CA VAL A 167 -9.452 -1.486 5.105 1.00 0.00 C ATOM 459 C VAL A 167 -8.626 -2.019 6.271 1.00 0.00 C ATOM 460 O VAL A 167 -7.965 -3.051 6.156 1.00 0.00 O ATOM 461 CB VAL A 167 -8.802 -0.192 4.580 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.357 -0.445 4.177 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.600 0.367 3.411 1.00 0.00 C ATOM 0 H VAL A 167 -11.203 -0.343 5.254 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.468 -2.226 4.305 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.806 0.547 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.915 0.481 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.794 -0.797 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.325 -1.200 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.127 1.281 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.629 -0.367 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.616 0.588 3.737 1.00 0.00 H new ATOM 473 N ARG A 168 -8.670 -1.308 7.393 1.00 0.00 N ATOM 474 CA ARG A 168 -7.925 -1.709 8.581 1.00 0.00 C ATOM 475 C ARG A 168 -7.903 -3.229 8.721 1.00 0.00 C ATOM 476 O ARG A 168 -6.843 -3.852 8.662 1.00 0.00 O ATOM 477 CB ARG A 168 -8.541 -1.080 9.832 1.00 0.00 C ATOM 478 CG ARG A 168 -7.633 -1.132 11.050 1.00 0.00 C ATOM 479 CD ARG A 168 -7.822 -2.424 11.830 1.00 0.00 C ATOM 480 NE ARG A 168 -8.891 -2.315 12.819 1.00 0.00 N ATOM 481 CZ ARG A 168 -8.984 -3.096 13.890 1.00 0.00 C ATOM 482 NH1 ARG A 168 -8.076 -4.037 14.108 1.00 0.00 N ATOM 483 NH2 ARG A 168 -9.986 -2.936 14.744 1.00 0.00 N ATOM 0 H ARG A 168 -9.213 -0.452 7.505 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.899 -1.356 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.791 -0.041 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.475 -1.592 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -6.593 -1.045 10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -7.842 -0.281 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -8.050 -3.235 11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -6.890 -2.685 12.331 1.00 0.00 H new ATOM 0 HE ARG A 168 -9.605 -1.600 12.680 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -7.304 -4.162 13.453 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -8.149 -4.635 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -10.686 -2.213 14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -10.056 -3.536 15.566 1.00 0.00 H new ATOM 497 N ARG A 169 -9.080 -3.818 8.909 1.00 0.00 N ATOM 498 CA ARG A 169 -9.195 -5.263 9.059 1.00 0.00 C ATOM 499 C ARG A 169 -8.759 -5.979 7.785 1.00 0.00 C ATOM 500 O ARG A 169 -7.924 -6.884 7.823 1.00 0.00 O ATOM 501 CB ARG A 169 -10.635 -5.648 9.406 1.00 0.00 C ATOM 502 CG ARG A 169 -11.026 -5.317 10.837 1.00 0.00 C ATOM 503 CD ARG A 169 -12.234 -6.125 11.285 1.00 0.00 C ATOM 504 NE ARG A 169 -11.852 -7.430 11.817 1.00 0.00 N ATOM 505 CZ ARG A 169 -12.635 -8.163 12.601 1.00 0.00 C ATOM 506 NH1 ARG A 169 -13.837 -7.720 12.942 1.00 0.00 N ATOM 507 NH2 ARG A 169 -12.216 -9.341 13.045 1.00 0.00 N ATOM 0 H ARG A 169 -9.967 -3.316 8.961 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.537 -5.572 9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.314 -5.134 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.766 -6.717 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.185 -5.519 11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.248 -4.253 10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.780 -5.569 12.047 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.912 -6.261 10.442 1.00 0.00 H new ATOM 0 HE ARG A 169 -10.933 -7.799 11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -14.162 -6.815 12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -14.437 -8.284 13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.292 -9.685 12.784 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -12.818 -9.903 13.647 1.00 0.00 H new ATOM 521 N LEU A 170 -9.329 -5.569 6.657 1.00 0.00 N ATOM 522 CA LEU A 170 -8.999 -6.171 5.370 1.00 0.00 C ATOM 523 C LEU A 170 -7.495 -6.381 5.236 1.00 0.00 C ATOM 524 O LEU A 170 -7.018 -7.514 5.175 1.00 0.00 O ATOM 525 CB LEU A 170 -9.507 -5.290 4.227 1.00 0.00 C ATOM 526 CG LEU A 170 -9.541 -5.939 2.843 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.657 -6.969 2.764 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.711 -4.881 1.762 1.00 0.00 C ATOM 0 H LEU A 170 -10.022 -4.822 6.608 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.488 -7.143 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.514 -4.955 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.879 -4.401 4.174 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.592 -6.449 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.666 -7.420 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.491 -7.743 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.615 -6.483 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.733 -5.361 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.645 -4.343 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.877 -4.181 1.804 1.00 0.00 H new ATOM 540 N PHE A 171 -6.751 -5.280 5.192 1.00 0.00 N ATOM 541 CA PHE A 171 -5.299 -5.343 5.067 1.00 0.00 C ATOM 542 C PHE A 171 -4.693 -6.190 6.183 1.00 0.00 C ATOM 543 O PHE A 171 -4.169 -7.275 5.936 1.00 0.00 O ATOM 544 CB PHE A 171 -4.702 -3.935 5.099 1.00 0.00 C ATOM 545 CG PHE A 171 -4.798 -3.214 3.785 1.00 0.00 C ATOM 546 CD1 PHE A 171 -6.031 -2.969 3.202 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.655 -2.780 3.132 1.00 0.00 C ATOM 548 CE1 PHE A 171 -6.121 -2.306 1.993 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.739 -2.117 1.923 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.974 -1.878 1.353 1.00 0.00 C ATOM 0 H PHE A 171 -7.129 -4.334 5.241 1.00 0.00 H new ATOM 0 HA PHE A 171 -5.061 -5.810 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.213 -3.350 5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.654 -4.000 5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.932 -3.300 3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.687 -2.962 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -7.088 -2.122 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.840 -1.786 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 171 -5.043 -1.358 0.409 1.00 0.00 H new ATOM 560 N GLU A 172 -4.769 -5.684 7.410 1.00 0.00 N ATOM 561 CA GLU A 172 -4.227 -6.393 8.563 1.00 0.00 C ATOM 562 C GLU A 172 -4.610 -7.869 8.523 1.00 0.00 C ATOM 563 O GLU A 172 -3.957 -8.708 9.143 1.00 0.00 O ATOM 564 CB GLU A 172 -4.729 -5.759 9.862 1.00 0.00 C ATOM 565 CG GLU A 172 -6.021 -6.370 10.377 1.00 0.00 C ATOM 566 CD GLU A 172 -5.780 -7.526 11.330 1.00 0.00 C ATOM 567 OE1 GLU A 172 -4.928 -7.384 12.232 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.444 -8.572 11.172 1.00 0.00 O ATOM 0 H GLU A 172 -5.200 -4.786 7.631 1.00 0.00 H new ATOM 0 HA GLU A 172 -3.140 -6.316 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.959 -5.860 10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.881 -4.692 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.605 -5.602 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -6.616 -6.718 9.533 1.00 0.00 H new ATOM 575 N ALA A 173 -5.675 -8.179 7.790 1.00 0.00 N ATOM 576 CA ALA A 173 -6.145 -9.553 7.668 1.00 0.00 C ATOM 577 C ALA A 173 -5.004 -10.493 7.294 1.00 0.00 C ATOM 578 O ALA A 173 -5.109 -11.709 7.457 1.00 0.00 O ATOM 579 CB ALA A 173 -7.261 -9.639 6.637 1.00 0.00 C ATOM 0 H ALA A 173 -6.228 -7.497 7.272 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.535 -9.865 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.603 -10.671 6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -8.092 -9.005 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.889 -9.303 5.669 1.00 0.00 H new ATOM 585 N PHE A 174 -3.914 -9.922 6.792 1.00 0.00 N ATOM 586 CA PHE A 174 -2.753 -10.709 6.394 1.00 0.00 C ATOM 587 C PHE A 174 -1.526 -10.324 7.216 1.00 0.00 C ATOM 588 O PHE A 174 -1.076 -11.083 8.073 1.00 0.00 O ATOM 589 CB PHE A 174 -2.464 -10.513 4.904 1.00 0.00 C ATOM 590 CG PHE A 174 -3.603 -10.920 4.014 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.638 -10.040 3.745 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.640 -12.184 3.447 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.688 -10.411 2.926 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.686 -12.561 2.627 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.713 -11.674 2.367 1.00 0.00 C ATOM 0 H PHE A 174 -3.811 -8.917 6.651 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.977 -11.760 6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.228 -9.464 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.579 -11.090 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.625 -9.052 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.842 -12.883 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.488 -9.714 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.701 -13.548 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.533 -11.967 1.728 1.00 0.00 H new ATOM 605 N GLY A 175 -0.990 -9.137 6.947 1.00 0.00 N ATOM 606 CA GLY A 175 0.180 -8.672 7.669 1.00 0.00 C ATOM 607 C GLY A 175 -0.139 -7.531 8.616 1.00 0.00 C ATOM 608 O GLY A 175 -1.000 -6.701 8.329 1.00 0.00 O ATOM 0 H GLY A 175 -1.345 -8.490 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.608 -9.500 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 175 0.938 -8.347 6.956 1.00 0.00 H new ATOM 612 N ASN A 176 0.556 -7.492 9.748 1.00 0.00 N ATOM 613 CA ASN A 176 0.340 -6.447 10.741 1.00 0.00 C ATOM 614 C ASN A 176 0.513 -5.064 10.121 1.00 0.00 C ATOM 615 O ASN A 176 1.343 -4.870 9.233 1.00 0.00 O ATOM 616 CB ASN A 176 1.311 -6.618 11.912 1.00 0.00 C ATOM 617 CG ASN A 176 0.927 -5.771 13.110 1.00 0.00 C ATOM 618 OD1 ASN A 176 1.177 -4.566 13.137 1.00 0.00 O ATOM 619 ND2 ASN A 176 0.317 -6.400 14.108 1.00 0.00 N ATOM 0 H ASN A 176 1.273 -8.172 10.000 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.682 -6.536 11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 176 1.340 -7.667 12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 176 2.317 -6.350 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 176 0.035 -5.883 14.941 1.00 0.00 H new ATOM 0 HD22 ASN A 176 0.130 -7.401 14.042 1.00 0.00 H new ATOM 626 N ILE A 177 -0.275 -4.105 10.597 1.00 0.00 N ATOM 627 CA ILE A 177 -0.208 -2.740 10.091 1.00 0.00 C ATOM 628 C ILE A 177 0.401 -1.800 11.125 1.00 0.00 C ATOM 629 O ILE A 177 0.050 -1.847 12.304 1.00 0.00 O ATOM 630 CB ILE A 177 -1.602 -2.217 9.696 1.00 0.00 C ATOM 631 CG1 ILE A 177 -2.076 -2.890 8.406 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.573 -0.705 9.531 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.462 -2.463 7.976 1.00 0.00 C ATOM 0 H ILE A 177 -0.967 -4.249 11.332 1.00 0.00 H new ATOM 0 HA ILE A 177 0.427 -2.762 9.205 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.305 -2.463 10.492 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.370 -2.663 7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.064 -3.971 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.565 -0.350 9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -1.273 -0.242 10.471 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.860 -0.438 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.732 -2.979 7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.179 -2.715 8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.475 -1.387 7.805 1.00 0.00 H new ATOM 645 N GLU A 178 1.314 -0.945 10.675 1.00 0.00 N ATOM 646 CA GLU A 178 1.971 0.008 11.562 1.00 0.00 C ATOM 647 C GLU A 178 1.304 1.378 11.479 1.00 0.00 C ATOM 648 O GLU A 178 1.147 2.065 12.487 1.00 0.00 O ATOM 649 CB GLU A 178 3.454 0.128 11.209 1.00 0.00 C ATOM 650 CG GLU A 178 4.300 -1.019 11.734 1.00 0.00 C ATOM 651 CD GLU A 178 5.745 -0.621 11.966 1.00 0.00 C ATOM 652 OE1 GLU A 178 5.979 0.500 12.463 1.00 0.00 O ATOM 653 OE2 GLU A 178 6.641 -1.431 11.650 1.00 0.00 O ATOM 0 H GLU A 178 1.615 -0.893 9.702 1.00 0.00 H new ATOM 0 HA GLU A 178 1.877 -0.361 12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.558 0.178 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.839 1.066 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 178 3.873 -1.382 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 178 4.264 -1.846 11.025 1.00 0.00 H new ATOM 660 N GLU A 179 0.915 1.768 10.269 1.00 0.00 N ATOM 661 CA GLU A 179 0.267 3.056 10.054 1.00 0.00 C ATOM 662 C GLU A 179 -0.732 2.977 8.902 1.00 0.00 C ATOM 663 O GLU A 179 -0.507 2.271 7.919 1.00 0.00 O ATOM 664 CB GLU A 179 1.312 4.136 9.764 1.00 0.00 C ATOM 665 CG GLU A 179 0.728 5.534 9.654 1.00 0.00 C ATOM 666 CD GLU A 179 0.420 6.146 11.007 1.00 0.00 C ATOM 667 OE1 GLU A 179 1.215 5.937 11.947 1.00 0.00 O ATOM 668 OE2 GLU A 179 -0.615 6.835 11.124 1.00 0.00 O ATOM 0 H GLU A 179 1.037 1.211 9.424 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.273 3.318 10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 179 2.062 4.126 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.826 3.892 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.429 6.176 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.185 5.496 9.060 1.00 0.00 H new ATOM 675 N CYS A 180 -1.835 3.706 9.033 1.00 0.00 N ATOM 676 CA CYS A 180 -2.869 3.718 8.005 1.00 0.00 C ATOM 677 C CYS A 180 -3.491 5.105 7.875 1.00 0.00 C ATOM 678 O CYS A 180 -3.758 5.774 8.875 1.00 0.00 O ATOM 679 CB CYS A 180 -3.953 2.689 8.330 1.00 0.00 C ATOM 680 SG CYS A 180 -5.310 2.643 7.136 1.00 0.00 S ATOM 0 H CYS A 180 -2.036 4.296 9.840 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.404 3.457 7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.496 1.701 8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.360 2.905 9.318 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.174 1.741 7.496 1.00 0.00 H new ATOM 686 N THR A 181 -3.718 5.533 6.637 1.00 0.00 N ATOM 687 CA THR A 181 -4.306 6.841 6.377 1.00 0.00 C ATOM 688 C THR A 181 -5.025 6.862 5.033 1.00 0.00 C ATOM 689 O THR A 181 -4.521 6.337 4.040 1.00 0.00 O ATOM 690 CB THR A 181 -3.237 7.950 6.391 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.746 8.139 7.723 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.807 9.258 5.865 1.00 0.00 C ATOM 0 H THR A 181 -3.504 4.993 5.799 1.00 0.00 H new ATOM 0 HA THR A 181 -5.025 7.029 7.174 1.00 0.00 H new ATOM 0 HB THR A 181 -2.417 7.643 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 181 -3.122 7.451 8.311 1.00 0.00 H new ATOM 0 HG21 THR A 181 -3.034 10.026 5.885 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.154 9.118 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.643 9.569 6.492 1.00 0.00 H new ATOM 700 N ILE A 182 -6.205 7.473 5.009 1.00 0.00 N ATOM 701 CA ILE A 182 -6.993 7.564 3.785 1.00 0.00 C ATOM 702 C ILE A 182 -6.772 8.902 3.088 1.00 0.00 C ATOM 703 O ILE A 182 -6.930 9.963 3.693 1.00 0.00 O ATOM 704 CB ILE A 182 -8.496 7.387 4.069 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.787 5.955 4.521 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.313 7.735 2.834 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.591 4.925 3.431 1.00 0.00 C ATOM 0 H ILE A 182 -6.636 7.912 5.822 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.658 6.758 3.133 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.781 8.066 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.139 5.710 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.814 5.898 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.373 7.605 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.124 8.771 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -9.027 7.079 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.815 3.933 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -9.259 5.145 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.558 4.953 3.085 1.00 0.00 H new ATOM 719 N LEU A 183 -6.409 8.845 1.812 1.00 0.00 N ATOM 720 CA LEU A 183 -6.169 10.053 1.030 1.00 0.00 C ATOM 721 C LEU A 183 -7.480 10.638 0.515 1.00 0.00 C ATOM 722 O LEU A 183 -8.114 10.075 -0.377 1.00 0.00 O ATOM 723 CB LEU A 183 -5.237 9.747 -0.145 1.00 0.00 C ATOM 724 CG LEU A 183 -3.753 9.607 0.195 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.018 8.873 -0.916 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.130 10.974 0.436 1.00 0.00 C ATOM 0 H LEU A 183 -6.274 7.975 1.296 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.695 10.789 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.570 8.822 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.346 10.539 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.663 9.022 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -1.963 8.783 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.447 7.879 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.116 9.431 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.074 10.855 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.231 11.583 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.638 11.464 1.266 1.00 0.00 H new ATOM 816 N SER A 190 -13.711 10.895 -0.468 1.00 0.00 N ATOM 817 CA SER A 190 -12.656 9.909 -0.668 1.00 0.00 C ATOM 818 C SER A 190 -12.100 9.987 -2.086 1.00 0.00 C ATOM 819 O SER A 190 -12.852 10.063 -3.058 1.00 0.00 O ATOM 820 CB SER A 190 -13.188 8.500 -0.393 1.00 0.00 C ATOM 821 OG SER A 190 -12.178 7.526 -0.594 1.00 0.00 O ATOM 0 HA SER A 190 -11.850 10.129 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 190 -13.557 8.440 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 190 -14.034 8.293 -1.049 1.00 0.00 H new ATOM 0 HG SER A 190 -12.542 6.635 -0.410 1.00 0.00 H new ATOM 827 N LYS A 191 -10.776 9.968 -2.197 1.00 0.00 N ATOM 828 CA LYS A 191 -10.116 10.036 -3.496 1.00 0.00 C ATOM 829 C LYS A 191 -9.662 8.652 -3.948 1.00 0.00 C ATOM 830 O LYS A 191 -8.625 8.508 -4.594 1.00 0.00 O ATOM 831 CB LYS A 191 -8.915 10.983 -3.432 1.00 0.00 C ATOM 832 CG LYS A 191 -9.301 12.451 -3.380 1.00 0.00 C ATOM 833 CD LYS A 191 -8.109 13.329 -3.039 1.00 0.00 C ATOM 834 CE LYS A 191 -8.421 14.802 -3.255 1.00 0.00 C ATOM 835 NZ LYS A 191 -8.531 15.139 -4.701 1.00 0.00 N ATOM 0 H LYS A 191 -10.139 9.906 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.834 10.419 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.319 10.741 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.282 10.813 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.714 12.754 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -10.085 12.596 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.821 13.166 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.257 13.042 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -9.355 15.053 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -7.639 15.410 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -8.524 16.172 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -7.727 14.726 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -9.419 14.754 -5.081 1.00 0.00 H new ATOM 849 N GLY A 192 -10.446 7.634 -3.604 1.00 0.00 N ATOM 850 CA GLY A 192 -10.108 6.275 -3.984 1.00 0.00 C ATOM 851 C GLY A 192 -8.628 5.983 -3.835 1.00 0.00 C ATOM 852 O GLY A 192 -8.035 5.303 -4.673 1.00 0.00 O ATOM 0 H GLY A 192 -11.309 7.727 -3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.677 5.577 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.406 6.105 -5.019 1.00 0.00 H new ATOM 856 N CYS A 193 -8.030 6.498 -2.767 1.00 0.00 N ATOM 857 CA CYS A 193 -6.608 6.290 -2.511 1.00 0.00 C ATOM 858 C CYS A 193 -6.301 6.406 -1.022 1.00 0.00 C ATOM 859 O CYS A 193 -6.961 7.151 -0.298 1.00 0.00 O ATOM 860 CB CYS A 193 -5.775 7.304 -3.297 1.00 0.00 C ATOM 861 SG CYS A 193 -6.050 7.259 -5.084 1.00 0.00 S ATOM 0 H CYS A 193 -8.507 7.063 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.347 5.284 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -6.001 8.305 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.719 7.122 -3.098 1.00 0.00 H new ATOM 0 HG CYS A 193 -6.839 6.268 -5.377 1.00 0.00 H new ATOM 867 N ALA A 194 -5.295 5.663 -0.571 1.00 0.00 N ATOM 868 CA ALA A 194 -4.900 5.683 0.831 1.00 0.00 C ATOM 869 C ALA A 194 -3.506 5.094 1.017 1.00 0.00 C ATOM 870 O ALA A 194 -3.051 4.282 0.210 1.00 0.00 O ATOM 871 CB ALA A 194 -5.913 4.923 1.676 1.00 0.00 C ATOM 0 H ALA A 194 -4.739 5.040 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.874 6.722 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.605 4.946 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.893 5.389 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.967 3.889 1.336 1.00 0.00 H new ATOM 877 N PHE A 195 -2.831 5.507 2.085 1.00 0.00 N ATOM 878 CA PHE A 195 -1.487 5.021 2.375 1.00 0.00 C ATOM 879 C PHE A 195 -1.507 4.023 3.529 1.00 0.00 C ATOM 880 O PHE A 195 -2.184 4.234 4.536 1.00 0.00 O ATOM 881 CB PHE A 195 -0.561 6.191 2.714 1.00 0.00 C ATOM 882 CG PHE A 195 -0.199 7.033 1.524 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.764 6.606 0.625 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.822 8.251 1.305 1.00 0.00 C ATOM 885 CE1 PHE A 195 1.100 7.380 -0.471 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.491 9.029 0.211 1.00 0.00 C ATOM 887 CZ PHE A 195 0.471 8.592 -0.678 1.00 0.00 C ATOM 0 H PHE A 195 -3.193 6.177 2.764 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.111 4.515 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.043 6.821 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.352 5.803 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 195 1.258 5.658 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.575 8.597 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.854 7.037 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.984 9.977 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.731 9.197 -1.534 1.00 0.00 H new ATOM 897 N VAL A 196 -0.761 2.934 3.375 1.00 0.00 N ATOM 898 CA VAL A 196 -0.692 1.903 4.403 1.00 0.00 C ATOM 899 C VAL A 196 0.750 1.480 4.662 1.00 0.00 C ATOM 900 O VAL A 196 1.549 1.359 3.733 1.00 0.00 O ATOM 901 CB VAL A 196 -1.517 0.663 4.011 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.487 -0.373 5.125 1.00 0.00 C ATOM 903 CG2 VAL A 196 -2.947 1.058 3.677 1.00 0.00 C ATOM 0 H VAL A 196 -0.196 2.743 2.548 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.109 2.335 5.313 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.071 0.218 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.075 -1.242 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.457 -0.678 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -1.907 0.058 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.515 0.169 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.407 1.529 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -2.945 1.760 2.843 1.00 0.00 H new ATOM 913 N LYS A 197 1.077 1.255 5.930 1.00 0.00 N ATOM 914 CA LYS A 197 2.422 0.844 6.312 1.00 0.00 C ATOM 915 C LYS A 197 2.407 -0.545 6.942 1.00 0.00 C ATOM 916 O LYS A 197 1.484 -0.894 7.678 1.00 0.00 O ATOM 917 CB LYS A 197 3.028 1.853 7.291 1.00 0.00 C ATOM 918 CG LYS A 197 4.436 1.499 7.735 1.00 0.00 C ATOM 919 CD LYS A 197 5.077 2.635 8.514 1.00 0.00 C ATOM 920 CE LYS A 197 4.607 2.655 9.960 1.00 0.00 C ATOM 921 NZ LYS A 197 4.686 4.020 10.551 1.00 0.00 N ATOM 0 H LYS A 197 0.428 1.351 6.711 1.00 0.00 H new ATOM 0 HA LYS A 197 3.034 0.809 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 197 3.040 2.838 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.386 1.925 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.409 0.602 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 197 5.046 1.266 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 197 6.162 2.531 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 197 4.835 3.585 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 197 3.579 2.296 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 197 5.215 1.969 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 4.341 3.994 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 5.673 4.347 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 4.099 4.674 9.995 1.00 0.00 H new ATOM 935 N TYR A 198 3.437 -1.333 6.651 1.00 0.00 N ATOM 936 CA TYR A 198 3.541 -2.684 7.189 1.00 0.00 C ATOM 937 C TYR A 198 4.806 -2.840 8.027 1.00 0.00 C ATOM 938 O TYR A 198 5.672 -1.965 8.035 1.00 0.00 O ATOM 939 CB TYR A 198 3.539 -3.709 6.053 1.00 0.00 C ATOM 940 CG TYR A 198 2.155 -4.171 5.658 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.265 -3.309 5.029 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.737 -5.472 5.913 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.000 -3.727 4.668 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.473 -5.899 5.553 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.392 -5.023 4.931 1.00 0.00 C ATOM 946 OH TYR A 198 -1.651 -5.444 4.571 1.00 0.00 O ATOM 0 H TYR A 198 4.211 -1.059 6.046 1.00 0.00 H new ATOM 0 HA TYR A 198 2.678 -2.860 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.030 -3.275 5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.130 -4.574 6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.568 -2.294 4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.411 -6.160 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.680 -3.043 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.164 -6.913 5.758 1.00 0.00 H new ATOM 0 HH TYR A 198 -2.093 -4.744 4.047 1.00 0.00 H new ATOM 956 N SER A 199 4.906 -3.963 8.732 1.00 0.00 N ATOM 957 CA SER A 199 6.064 -4.234 9.577 1.00 0.00 C ATOM 958 C SER A 199 7.309 -4.481 8.730 1.00 0.00 C ATOM 959 O SER A 199 8.369 -3.910 8.984 1.00 0.00 O ATOM 960 CB SER A 199 5.794 -5.445 10.473 1.00 0.00 C ATOM 961 OG SER A 199 6.851 -5.640 11.397 1.00 0.00 O ATOM 0 H SER A 199 4.200 -4.699 8.735 1.00 0.00 H new ATOM 0 HA SER A 199 6.240 -3.359 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.857 -5.301 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.675 -6.337 9.858 1.00 0.00 H new ATOM 0 HG SER A 199 6.655 -6.418 11.959 1.00 0.00 H new ATOM 967 N SER A 200 7.171 -5.337 7.722 1.00 0.00 N ATOM 968 CA SER A 200 8.284 -5.664 6.839 1.00 0.00 C ATOM 969 C SER A 200 7.795 -5.911 5.416 1.00 0.00 C ATOM 970 O SER A 200 6.591 -5.950 5.159 1.00 0.00 O ATOM 971 CB SER A 200 9.028 -6.897 7.356 1.00 0.00 C ATOM 972 OG SER A 200 8.256 -8.071 7.174 1.00 0.00 O ATOM 0 H SER A 200 6.299 -5.816 7.497 1.00 0.00 H new ATOM 0 HA SER A 200 8.967 -4.815 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 200 9.979 -6.998 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 200 9.259 -6.770 8.414 1.00 0.00 H new ATOM 0 HG SER A 200 7.733 -8.247 7.984 1.00 0.00 H new ATOM 978 N HIS A 201 8.737 -6.077 4.493 1.00 0.00 N ATOM 979 CA HIS A 201 8.403 -6.321 3.094 1.00 0.00 C ATOM 980 C HIS A 201 7.568 -7.590 2.949 1.00 0.00 C ATOM 981 O HIS A 201 6.466 -7.561 2.403 1.00 0.00 O ATOM 982 CB HIS A 201 9.676 -6.435 2.256 1.00 0.00 C ATOM 983 CG HIS A 201 9.419 -6.771 0.819 1.00 0.00 C ATOM 984 ND1 HIS A 201 8.837 -7.855 0.254 1.00 0.00 N flip ATOM 985 CD2 HIS A 201 9.777 -5.943 -0.223 1.00 0.00 C flip ATOM 986 CE1 HIS A 201 8.853 -7.663 -1.106 1.00 0.00 C flip ATOM 987 NE2 HIS A 201 9.425 -6.501 -1.368 1.00 0.00 N flip ATOM 0 H HIS A 201 9.738 -6.047 4.688 1.00 0.00 H new ATOM 0 HA HIS A 201 7.815 -5.477 2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.221 -5.493 2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.320 -7.200 2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 201 10.269 -4.987 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 201 8.462 -8.350 -1.842 1.00 0.00 H new ATOM 0 HE2 HIS A 201 9.570 -6.103 -2.296 1.00 0.00 H new ATOM 995 N ALA A 202 8.103 -8.703 3.440 1.00 0.00 N ATOM 996 CA ALA A 202 7.407 -9.982 3.366 1.00 0.00 C ATOM 997 C ALA A 202 5.901 -9.797 3.511 1.00 0.00 C ATOM 998 O ALA A 202 5.149 -9.980 2.555 1.00 0.00 O ATOM 999 CB ALA A 202 7.930 -10.930 4.434 1.00 0.00 C ATOM 0 H ALA A 202 9.016 -8.745 3.893 1.00 0.00 H new ATOM 0 HA ALA A 202 7.600 -10.416 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.401 -11.881 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 202 8.997 -11.096 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.767 -10.493 5.419 1.00 0.00 H new ATOM 1005 N GLU A 203 5.467 -9.434 4.714 1.00 0.00 N ATOM 1006 CA GLU A 203 4.049 -9.226 4.984 1.00 0.00 C ATOM 1007 C GLU A 203 3.408 -8.370 3.896 1.00 0.00 C ATOM 1008 O GLU A 203 2.342 -8.701 3.379 1.00 0.00 O ATOM 1009 CB GLU A 203 3.859 -8.561 6.349 1.00 0.00 C ATOM 1010 CG GLU A 203 4.127 -9.490 7.521 1.00 0.00 C ATOM 1011 CD GLU A 203 5.601 -9.593 7.860 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.138 -8.644 8.469 1.00 0.00 O ATOM 1013 OE2 GLU A 203 6.218 -10.623 7.515 1.00 0.00 O ATOM 0 H GLU A 203 6.077 -9.278 5.517 1.00 0.00 H new ATOM 0 HA GLU A 203 3.560 -10.200 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.523 -7.700 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 203 2.839 -8.184 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.581 -9.133 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.742 -10.483 7.288 1.00 0.00 H new ATOM 1020 N ALA A 204 4.067 -7.267 3.553 1.00 0.00 N ATOM 1021 CA ALA A 204 3.563 -6.364 2.526 1.00 0.00 C ATOM 1022 C ALA A 204 3.267 -7.116 1.232 1.00 0.00 C ATOM 1023 O ALA A 204 2.140 -7.097 0.738 1.00 0.00 O ATOM 1024 CB ALA A 204 4.561 -5.245 2.271 1.00 0.00 C ATOM 0 H ALA A 204 4.951 -6.978 3.972 1.00 0.00 H new ATOM 0 HA ALA A 204 2.630 -5.929 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.171 -4.578 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.721 -4.683 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.507 -5.671 1.937 1.00 0.00 H new ATOM 1030 N GLN A 205 4.285 -7.774 0.689 1.00 0.00 N ATOM 1031 CA GLN A 205 4.133 -8.530 -0.548 1.00 0.00 C ATOM 1032 C GLN A 205 2.897 -9.422 -0.493 1.00 0.00 C ATOM 1033 O GLN A 205 2.171 -9.556 -1.478 1.00 0.00 O ATOM 1034 CB GLN A 205 5.378 -9.380 -0.809 1.00 0.00 C ATOM 1035 CG GLN A 205 5.307 -10.185 -2.096 1.00 0.00 C ATOM 1036 CD GLN A 205 5.778 -9.399 -3.303 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.884 -9.609 -3.802 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.938 -8.488 -3.781 1.00 0.00 N ATOM 0 H GLN A 205 5.224 -7.799 1.086 1.00 0.00 H new ATOM 0 HA GLN A 205 4.010 -7.819 -1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.251 -8.729 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.524 -10.062 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 205 5.916 -11.083 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.280 -10.513 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.031 -8.347 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.200 -7.929 -4.593 1.00 0.00 H new ATOM 1047 N ALA A 206 2.664 -10.030 0.666 1.00 0.00 N ATOM 1048 CA ALA A 206 1.515 -10.908 0.851 1.00 0.00 C ATOM 1049 C ALA A 206 0.208 -10.159 0.612 1.00 0.00 C ATOM 1050 O ALA A 206 -0.625 -10.584 -0.188 1.00 0.00 O ATOM 1051 CB ALA A 206 1.532 -11.513 2.247 1.00 0.00 C ATOM 0 H ALA A 206 3.256 -9.930 1.491 1.00 0.00 H new ATOM 0 HA ALA A 206 1.582 -11.712 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.668 -12.166 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.446 -12.091 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.494 -10.716 2.989 1.00 0.00 H new ATOM 1057 N ALA A 207 0.035 -9.042 1.312 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.170 -8.234 1.174 1.00 0.00 C ATOM 1059 C ALA A 207 -1.315 -7.702 -0.247 1.00 0.00 C ATOM 1060 O ALA A 207 -2.423 -7.418 -0.703 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.151 -7.084 2.171 1.00 0.00 C ATOM 0 H ALA A 207 0.714 -8.677 1.980 1.00 0.00 H new ATOM 0 HA ALA A 207 -2.030 -8.870 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.057 -6.489 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -1.104 -7.482 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.279 -6.457 1.986 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.191 -7.569 -0.942 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.194 -7.071 -2.312 1.00 0.00 C ATOM 1069 C ILE A 208 -0.786 -8.099 -3.269 1.00 0.00 C ATOM 1070 O ILE A 208 -1.862 -7.893 -3.829 1.00 0.00 O ATOM 1071 CB ILE A 208 1.227 -6.707 -2.782 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.735 -5.473 -2.033 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.242 -6.465 -4.284 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.178 -5.134 -2.336 1.00 0.00 C ATOM 0 H ILE A 208 0.734 -7.799 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.812 -6.173 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 208 1.892 -7.542 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.108 -4.619 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.626 -5.638 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.253 -6.209 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.917 -7.368 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.567 -5.645 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.470 -4.249 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.816 -5.972 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.289 -4.937 -3.402 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.076 -9.208 -3.451 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.532 -10.270 -4.340 1.00 0.00 C ATOM 1088 C ASN A 209 -1.909 -10.776 -3.921 1.00 0.00 C ATOM 1089 O ASN A 209 -2.756 -11.071 -4.764 1.00 0.00 O ATOM 1090 CB ASN A 209 0.469 -11.427 -4.343 1.00 0.00 C ATOM 1091 CG ASN A 209 -0.032 -12.625 -5.126 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.146 -13.727 -4.590 1.00 0.00 O ATOM 1093 ND2 ASN A 209 -0.335 -12.413 -6.401 1.00 0.00 N ATOM 0 H ASN A 209 0.817 -9.394 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.606 -9.860 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.412 -11.086 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.675 -11.728 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.678 -13.181 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 209 -0.225 -11.482 -6.803 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.125 -10.874 -2.613 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.399 -11.341 -2.082 1.00 0.00 C ATOM 1102 C ALA A 210 -4.532 -10.390 -2.454 1.00 0.00 C ATOM 1103 O ALA A 210 -5.627 -10.823 -2.816 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.315 -11.500 -0.571 1.00 0.00 C ATOM 0 H ALA A 210 -1.434 -10.636 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.615 -12.312 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.274 -11.849 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.540 -12.225 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.071 -10.539 -0.117 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.262 -9.093 -2.362 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.259 -8.079 -2.689 1.00 0.00 C ATOM 1112 C LEU A 211 -5.017 -7.507 -4.082 1.00 0.00 C ATOM 1113 O LEU A 211 -5.767 -7.786 -5.018 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.230 -6.955 -1.652 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.433 -7.379 -0.197 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.200 -6.203 0.739 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.829 -7.953 0.002 1.00 0.00 C ATOM 0 H LEU A 211 -3.361 -8.718 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.241 -8.552 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.272 -6.441 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.002 -6.230 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.706 -8.155 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.349 -6.524 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.181 -5.837 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -5.903 -5.405 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -6.956 -8.249 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.573 -7.198 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.960 -8.823 -0.641 1.00 0.00 H new ATOM 1129 N HIS A 212 -3.965 -6.706 -4.214 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.622 -6.097 -5.494 1.00 0.00 C ATOM 1131 C HIS A 212 -3.536 -7.152 -6.592 1.00 0.00 C ATOM 1132 O HIS A 212 -2.878 -8.179 -6.430 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.295 -5.346 -5.387 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.669 -5.044 -6.713 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.402 -4.716 -7.834 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.370 -5.020 -7.094 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.581 -4.505 -8.848 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.342 -4.683 -8.425 1.00 0.00 N ATOM 0 H HIS A 212 -3.335 -6.463 -3.450 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.410 -5.390 -5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.458 -4.411 -4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.599 -5.938 -4.792 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.419 -4.647 -7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.485 -5.227 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.873 -4.233 -9.852 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.206 -6.892 -7.711 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.193 -7.830 -8.818 1.00 0.00 C ATOM 1148 C GLY A 213 -5.016 -9.071 -8.537 1.00 0.00 C ATOM 1149 O GLY A 213 -5.121 -9.959 -9.384 1.00 0.00 O ATOM 0 H GLY A 213 -4.757 -6.049 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.577 -7.338 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.164 -8.121 -9.032 1.00 0.00 H new ATOM 1153 N SER A 214 -5.600 -9.135 -7.345 1.00 0.00 N ATOM 1154 CA SER A 214 -6.414 -10.280 -6.953 1.00 0.00 C ATOM 1155 C SER A 214 -7.895 -9.998 -7.184 1.00 0.00 C ATOM 1156 O SER A 214 -8.507 -10.553 -8.096 1.00 0.00 O ATOM 1157 CB SER A 214 -6.172 -10.624 -5.482 1.00 0.00 C ATOM 1158 OG SER A 214 -6.814 -11.837 -5.129 1.00 0.00 O ATOM 0 H SER A 214 -5.525 -8.408 -6.634 1.00 0.00 H new ATOM 0 HA SER A 214 -6.123 -11.130 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.101 -10.708 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.542 -9.816 -4.851 1.00 0.00 H new ATOM 0 HG SER A 214 -7.219 -11.746 -4.241 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.464 -9.133 -6.351 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.874 -8.778 -6.463 1.00 0.00 C ATOM 1166 C GLN A 215 -10.043 -7.447 -7.187 1.00 0.00 C ATOM 1167 O GLN A 215 -9.067 -6.751 -7.468 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.515 -8.704 -5.077 1.00 0.00 C ATOM 1169 CG GLN A 215 -9.822 -7.731 -4.137 1.00 0.00 C ATOM 1170 CD GLN A 215 -10.584 -7.525 -2.843 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -11.455 -8.321 -2.489 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -10.261 -6.454 -2.129 1.00 0.00 N ATOM 0 H GLN A 215 -7.970 -8.665 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.373 -9.553 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -11.559 -8.411 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -10.507 -9.697 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -8.822 -8.101 -3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -9.700 -6.771 -4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -9.533 -5.821 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -10.741 -6.264 -1.249 1.00 0.00 H new ATOM 1181 N THR A 216 -11.290 -7.097 -7.487 1.00 0.00 N ATOM 1182 CA THR A 216 -11.589 -5.850 -8.180 1.00 0.00 C ATOM 1183 C THR A 216 -12.563 -4.995 -7.377 1.00 0.00 C ATOM 1184 O THR A 216 -13.757 -5.287 -7.319 1.00 0.00 O ATOM 1185 CB THR A 216 -12.183 -6.111 -9.577 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.320 -6.978 -10.321 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.376 -4.806 -10.335 1.00 0.00 C ATOM 0 H THR A 216 -12.110 -7.660 -7.261 1.00 0.00 H new ATOM 0 HA THR A 216 -10.645 -5.315 -8.290 1.00 0.00 H new ATOM 0 HB THR A 216 -13.156 -6.587 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.705 -7.141 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.796 -5.015 -11.319 1.00 0.00 H new ATOM 0 HG22 THR A 216 -13.056 -4.160 -9.780 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.414 -4.307 -10.450 1.00 0.00 H new ATOM 1195 N MET A 217 -12.045 -3.937 -6.761 1.00 0.00 N ATOM 1196 CA MET A 217 -12.871 -3.038 -5.964 1.00 0.00 C ATOM 1197 C MET A 217 -14.187 -2.735 -6.673 1.00 0.00 C ATOM 1198 O MET A 217 -14.232 -2.529 -7.887 1.00 0.00 O ATOM 1199 CB MET A 217 -12.119 -1.736 -5.681 1.00 0.00 C ATOM 1200 CG MET A 217 -11.062 -1.868 -4.597 1.00 0.00 C ATOM 1201 SD MET A 217 -11.768 -2.235 -2.979 1.00 0.00 S ATOM 1202 CE MET A 217 -10.340 -2.903 -2.129 1.00 0.00 C ATOM 0 H MET A 217 -11.058 -3.682 -6.799 1.00 0.00 H new ATOM 0 HA MET A 217 -13.094 -3.533 -5.019 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.644 -1.393 -6.600 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.835 -0.969 -5.387 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.363 -2.658 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.490 -0.942 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 217 -10.670 -3.549 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 217 -9.737 -3.480 -2.830 1.00 0.00 H new ATOM 0 HE3 MET A 217 -9.743 -2.086 -1.724 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.284 -2.707 -5.902 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.621 -2.430 -6.437 1.00 0.00 C ATOM 1214 C PRO A 218 -16.641 -1.201 -7.339 1.00 0.00 C ATOM 1215 O PRO A 218 -16.300 -0.099 -6.911 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.461 -2.186 -5.181 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.777 -2.963 -4.110 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.304 -2.943 -4.449 1.00 0.00 C ATOM 0 HA PRO A 218 -16.988 -3.245 -7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.505 -1.125 -4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.488 -2.523 -5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -16.957 -2.518 -3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.153 -3.985 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -14.779 -2.156 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -14.820 -3.885 -4.189 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.044 -1.397 -8.590 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.102 -0.295 -9.533 1.00 0.00 C ATOM 1228 C GLY A 219 -15.980 -0.344 -10.552 1.00 0.00 C ATOM 1229 O GLY A 219 -16.226 -0.314 -11.757 1.00 0.00 O ATOM 0 H GLY A 219 -17.332 -2.300 -8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.061 -0.315 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.053 0.648 -8.989 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.745 -0.419 -10.067 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.582 -0.473 -10.944 1.00 0.00 C ATOM 1235 C ALA A 220 -13.555 -1.773 -11.740 1.00 0.00 C ATOM 1236 O ALA A 220 -13.991 -2.818 -11.257 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.303 -0.321 -10.134 1.00 0.00 C ATOM 0 H ALA A 220 -14.524 -0.444 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.652 0.354 -11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.442 -0.363 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.313 0.637 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.236 -1.128 -9.405 1.00 0.00 H new ATOM 1243 N SER A 221 -13.041 -1.701 -12.964 1.00 0.00 N ATOM 1244 CA SER A 221 -12.962 -2.872 -13.830 1.00 0.00 C ATOM 1245 C SER A 221 -11.609 -3.564 -13.685 1.00 0.00 C ATOM 1246 O SER A 221 -11.447 -4.721 -14.072 1.00 0.00 O ATOM 1247 CB SER A 221 -13.189 -2.471 -15.288 1.00 0.00 C ATOM 1248 OG SER A 221 -14.553 -2.171 -15.529 1.00 0.00 O ATOM 0 H SER A 221 -12.673 -0.844 -13.378 1.00 0.00 H new ATOM 0 HA SER A 221 -13.742 -3.570 -13.528 1.00 0.00 H new ATOM 0 HB2 SER A 221 -12.575 -1.604 -15.530 1.00 0.00 H new ATOM 0 HB3 SER A 221 -12.870 -3.280 -15.945 1.00 0.00 H new ATOM 0 HG SER A 221 -14.671 -1.916 -16.468 1.00 0.00 H new ATOM 1254 N SER A 222 -10.641 -2.845 -13.125 1.00 0.00 N ATOM 1255 CA SER A 222 -9.301 -3.387 -12.932 1.00 0.00 C ATOM 1256 C SER A 222 -9.106 -3.854 -11.493 1.00 0.00 C ATOM 1257 O SER A 222 -9.723 -3.326 -10.568 1.00 0.00 O ATOM 1258 CB SER A 222 -8.248 -2.336 -13.287 1.00 0.00 C ATOM 1259 OG SER A 222 -8.567 -1.080 -12.713 1.00 0.00 O ATOM 0 H SER A 222 -10.760 -1.886 -12.797 1.00 0.00 H new ATOM 0 HA SER A 222 -9.184 -4.246 -13.593 1.00 0.00 H new ATOM 0 HB2 SER A 222 -7.270 -2.663 -12.934 1.00 0.00 H new ATOM 0 HB3 SER A 222 -8.179 -2.237 -14.370 1.00 0.00 H new ATOM 0 HG SER A 222 -7.887 -0.841 -12.049 1.00 0.00 H new ATOM 1265 N SER A 223 -8.243 -4.849 -11.312 1.00 0.00 N ATOM 1266 CA SER A 223 -7.968 -5.391 -9.987 1.00 0.00 C ATOM 1267 C SER A 223 -7.286 -4.350 -9.105 1.00 0.00 C ATOM 1268 O SER A 223 -6.532 -3.505 -9.590 1.00 0.00 O ATOM 1269 CB SER A 223 -7.090 -6.639 -10.095 1.00 0.00 C ATOM 1270 OG SER A 223 -7.701 -7.624 -10.910 1.00 0.00 O ATOM 0 H SER A 223 -7.722 -5.296 -12.067 1.00 0.00 H new ATOM 0 HA SER A 223 -8.919 -5.663 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.119 -6.369 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.909 -7.047 -9.101 1.00 0.00 H new ATOM 0 HG SER A 223 -7.119 -8.411 -10.964 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.556 -4.416 -7.806 1.00 0.00 N ATOM 1277 CA LEU A 224 -6.969 -3.480 -6.853 1.00 0.00 C ATOM 1278 C LEU A 224 -5.512 -3.193 -7.199 1.00 0.00 C ATOM 1279 O LEU A 224 -4.815 -4.044 -7.754 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.068 -4.038 -5.433 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.473 -3.166 -4.326 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.226 -1.849 -4.222 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.497 -3.903 -2.995 1.00 0.00 C ATOM 0 H LEU A 224 -8.178 -5.108 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.527 -2.545 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.120 -4.212 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.572 -5.008 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.435 -2.949 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.789 -1.242 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.156 -1.314 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.273 -2.046 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -6.070 -3.267 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.526 -4.151 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.912 -4.819 -3.076 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.055 -1.990 -6.867 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.679 -1.592 -7.139 1.00 0.00 C ATOM 1297 C VAL A 225 -2.958 -1.195 -5.856 1.00 0.00 C ATOM 1298 O VAL A 225 -3.210 -0.130 -5.293 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.622 -0.416 -8.132 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.178 -0.039 -8.430 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.366 -0.763 -9.413 1.00 0.00 C ATOM 0 H VAL A 225 -5.618 -1.273 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.180 -2.455 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.111 0.445 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.157 0.794 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.680 0.254 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.661 -0.894 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.315 0.079 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -3.908 -1.638 -9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.409 -0.980 -9.181 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.058 -2.060 -5.398 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.298 -1.799 -4.182 1.00 0.00 C ATOM 1313 C VAL A 226 0.201 -1.915 -4.435 1.00 0.00 C ATOM 1314 O VAL A 226 0.738 -3.015 -4.566 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.693 -2.771 -3.054 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.006 -2.387 -1.752 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.204 -2.800 -2.881 1.00 0.00 C ATOM 0 H VAL A 226 -1.838 -2.947 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.534 -0.780 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.362 -3.773 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.297 -3.085 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 226 0.075 -2.423 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.303 -1.377 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.465 -3.492 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.561 -1.801 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.670 -3.128 -3.810 1.00 0.00 H new ATOM 1327 N LYS A 227 0.874 -0.771 -4.503 1.00 0.00 N ATOM 1328 CA LYS A 227 2.312 -0.741 -4.739 1.00 0.00 C ATOM 1329 C LYS A 227 3.039 -0.057 -3.586 1.00 0.00 C ATOM 1330 O LYS A 227 2.411 0.442 -2.652 1.00 0.00 O ATOM 1331 CB LYS A 227 2.620 -0.016 -6.051 1.00 0.00 C ATOM 1332 CG LYS A 227 2.254 1.458 -6.032 1.00 0.00 C ATOM 1333 CD LYS A 227 2.260 2.053 -7.430 1.00 0.00 C ATOM 1334 CE LYS A 227 2.165 3.570 -7.391 1.00 0.00 C ATOM 1335 NZ LYS A 227 1.908 4.145 -8.740 1.00 0.00 N ATOM 0 H LYS A 227 0.445 0.149 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 227 2.664 -1.770 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.683 -0.115 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.081 -0.505 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.267 1.583 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 227 2.959 2.001 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.172 1.758 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.424 1.650 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.366 3.866 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 227 3.092 3.982 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 1.850 5.181 -8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 2.683 3.884 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 1.011 3.772 -9.111 1.00 0.00 H new ATOM 1349 N PHE A 228 4.366 -0.038 -3.657 1.00 0.00 N ATOM 1350 CA PHE A 228 5.178 0.586 -2.619 1.00 0.00 C ATOM 1351 C PHE A 228 5.295 2.090 -2.849 1.00 0.00 C ATOM 1352 O PHE A 228 5.881 2.533 -3.836 1.00 0.00 O ATOM 1353 CB PHE A 228 6.571 -0.046 -2.583 1.00 0.00 C ATOM 1354 CG PHE A 228 6.559 -1.506 -2.231 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.402 -1.914 -0.916 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.704 -2.471 -3.215 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.390 -3.257 -0.589 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.692 -3.815 -2.894 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.536 -4.208 -1.579 1.00 0.00 C ATOM 0 H PHE A 228 4.902 -0.447 -4.422 1.00 0.00 H new ATOM 0 HA PHE A 228 4.686 0.421 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 228 7.044 0.081 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.185 0.489 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.288 -1.174 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.828 -2.169 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.267 -3.562 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 228 6.804 -4.557 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.528 -5.258 -1.326 1.00 0.00 H new