USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 290 THR OG1 : rot 180:sc= -2.44! USER MOD Set 1.2: A 291 HIS :FLIP no HE2:sc= -0.788 F(o=-4.1,f=-3.2) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.5!) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN :FLIP amide:sc= -5.09! C(o=-7!,f=-5.1!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 9:sc= 1.15 USER MOD Single : A 266 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00816) USER MOD Single : A 268 THR OG1 : rot -28:sc= 0.137 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot -41:sc= -18.2! USER MOD Single : A 281 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.715 K(o=-0.7,f=-2.4!) USER MOD Single : A 297 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.311 -1.900 -8.172 1.00 0.40 N ATOM 263 CA PRO A 238 5.355 -2.268 -7.114 1.00 0.28 C ATOM 264 C PRO A 238 5.288 -3.702 -6.835 1.00 0.28 C ATOM 265 O PRO A 238 5.407 -4.568 -7.695 1.00 0.41 O ATOM 266 CB PRO A 238 4.011 -1.730 -7.614 1.00 0.25 C ATOM 267 CG PRO A 238 4.403 -0.720 -8.618 1.00 0.59 C ATOM 268 CD PRO A 238 5.587 -1.333 -9.309 1.00 0.43 C ATOM 0 HA PRO A 238 5.662 -1.843 -6.158 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.400 -2.519 -8.054 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.428 -1.289 -6.805 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.593 -0.518 -9.319 1.00 0.59 H new ATOM 0 HG3 PRO A 238 4.662 0.229 -8.149 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.294 -2.094 -10.032 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.179 -0.593 -9.847 1.00 0.43 H new ATOM 276 N PHE A 239 5.122 -3.897 -5.574 1.00 0.24 N ATOM 277 CA PHE A 239 5.087 -5.185 -5.007 1.00 0.26 C ATOM 278 C PHE A 239 3.668 -5.441 -4.561 1.00 0.22 C ATOM 279 O PHE A 239 2.895 -4.491 -4.393 1.00 0.26 O ATOM 280 CB PHE A 239 6.077 -5.277 -3.835 1.00 0.38 C ATOM 281 CG PHE A 239 7.537 -5.323 -4.240 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.897 -5.566 -5.557 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.547 -5.163 -3.299 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.220 -5.649 -5.934 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.877 -5.237 -3.673 1.00 0.79 C ATOM 286 CZ PHE A 239 10.213 -5.482 -4.992 1.00 0.78 C ATOM 0 H PHE A 239 5.005 -3.142 -4.898 1.00 0.24 H new ATOM 0 HA PHE A 239 5.387 -5.943 -5.731 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.923 -4.420 -3.179 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.847 -6.169 -3.253 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.125 -5.693 -6.302 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.291 -4.979 -2.266 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.478 -5.844 -6.964 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.653 -5.103 -2.934 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.251 -5.542 -5.284 1.00 0.78 H new ATOM 296 N TYR A 240 3.308 -6.687 -4.370 1.00 0.22 N ATOM 297 CA TYR A 240 1.998 -6.991 -3.917 1.00 0.21 C ATOM 298 C TYR A 240 2.097 -7.014 -2.430 1.00 0.19 C ATOM 299 O TYR A 240 3.190 -7.174 -1.902 1.00 0.23 O ATOM 300 CB TYR A 240 1.533 -8.348 -4.439 1.00 0.24 C ATOM 301 CG TYR A 240 0.846 -8.341 -5.787 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.533 -7.161 -6.451 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.492 -9.541 -6.386 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.112 -7.183 -7.673 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.147 -9.572 -7.606 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.448 -8.394 -8.246 1.00 0.69 C ATOM 307 OH TYR A 240 -1.093 -8.427 -9.460 1.00 0.88 O ATOM 0 H TYR A 240 3.911 -7.495 -4.524 1.00 0.22 H new ATOM 0 HA TYR A 240 1.272 -6.260 -4.273 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.398 -9.008 -4.498 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.851 -8.782 -3.708 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.798 -6.213 -6.006 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.722 -10.470 -5.886 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -0.352 -6.259 -8.177 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.410 -10.517 -8.057 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.254 -9.358 -9.720 1.00 0.88 H new ATOM 317 N ALA A 241 1.026 -6.785 -1.748 1.00 0.14 N ATOM 318 CA ALA A 241 1.044 -6.988 -0.344 1.00 0.15 C ATOM 319 C ALA A 241 -0.302 -7.419 0.167 1.00 0.11 C ATOM 320 O ALA A 241 -1.309 -6.796 -0.105 1.00 0.12 O ATOM 321 CB ALA A 241 1.554 -5.746 0.367 1.00 0.24 C ATOM 0 H ALA A 241 0.140 -6.462 -2.135 1.00 0.14 H new ATOM 0 HA ALA A 241 1.735 -7.802 -0.125 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.561 -5.920 1.443 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.566 -5.523 0.029 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.901 -4.903 0.140 1.00 0.24 H new ATOM 327 N ARG A 242 -0.307 -8.482 0.931 1.00 0.10 N ATOM 328 CA ARG A 242 -1.535 -9.016 1.447 1.00 0.08 C ATOM 329 C ARG A 242 -1.993 -8.162 2.619 1.00 0.08 C ATOM 330 O ARG A 242 -1.446 -8.256 3.711 1.00 0.11 O ATOM 331 CB ARG A 242 -1.321 -10.446 1.923 1.00 0.10 C ATOM 332 CG ARG A 242 -2.534 -11.102 2.569 1.00 0.10 C ATOM 333 CD ARG A 242 -3.579 -11.515 1.548 1.00 0.11 C ATOM 334 NE ARG A 242 -3.018 -12.256 0.416 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.657 -12.421 -0.743 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.891 -11.952 -0.893 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.075 -13.072 -1.744 1.00 0.43 N ATOM 0 H ARG A 242 0.530 -8.994 1.208 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.290 -9.010 0.661 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.010 -11.052 1.072 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.499 -10.455 2.639 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.213 -11.979 3.132 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.981 -10.410 3.283 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.334 -12.130 2.038 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.086 -10.625 1.176 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.090 -12.667 0.519 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.349 -11.466 -0.122 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.380 -12.078 -1.779 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.134 -13.449 -1.629 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.569 -13.195 -2.628 1.00 0.43 H new ATOM 351 N VAL A 243 -2.979 -7.324 2.392 1.00 0.07 N ATOM 352 CA VAL A 243 -3.490 -6.465 3.424 1.00 0.08 C ATOM 353 C VAL A 243 -4.064 -7.299 4.552 1.00 0.11 C ATOM 354 O VAL A 243 -4.680 -8.332 4.315 1.00 0.14 O ATOM 355 CB VAL A 243 -4.573 -5.505 2.877 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.569 -6.232 1.997 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.302 -4.843 4.017 1.00 0.18 C ATOM 0 H VAL A 243 -3.444 -7.222 1.490 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.663 -5.862 3.799 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.069 -4.751 2.273 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.314 -5.526 1.631 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.048 -6.680 1.151 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.062 -7.014 2.575 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.062 -4.169 3.621 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.778 -5.604 4.635 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.594 -4.276 4.621 1.00 0.18 H new ATOM 367 N ILE A 244 -3.850 -6.864 5.774 1.00 0.12 N ATOM 368 CA ILE A 244 -4.382 -7.599 6.909 1.00 0.16 C ATOM 369 C ILE A 244 -5.222 -6.721 7.782 1.00 0.13 C ATOM 370 O ILE A 244 -5.682 -7.158 8.830 1.00 0.17 O ATOM 371 CB ILE A 244 -3.320 -8.208 7.814 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.272 -7.155 8.156 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.738 -9.426 7.165 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.617 -7.346 9.504 1.00 0.61 C ATOM 0 H ILE A 244 -3.323 -6.023 6.009 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.962 -8.399 6.450 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.763 -8.533 8.755 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.501 -7.163 7.386 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.740 -6.171 8.128 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.979 -9.858 7.817 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.527 -10.158 6.992 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.285 -9.150 6.213 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.885 -6.555 9.668 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.375 -7.307 10.286 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.117 -8.314 9.532 1.00 0.61 H new ATOM 386 N GLN A 245 -5.366 -5.481 7.366 1.00 0.11 N ATOM 387 CA GLN A 245 -6.216 -4.521 8.045 1.00 0.12 C ATOM 388 C GLN A 245 -6.347 -3.288 7.197 1.00 0.11 C ATOM 389 O GLN A 245 -5.460 -2.444 7.132 1.00 0.12 O ATOM 390 CB GLN A 245 -5.694 -4.157 9.436 1.00 0.15 C ATOM 391 CG GLN A 245 -6.264 -5.026 10.537 1.00 0.21 C ATOM 392 CD GLN A 245 -6.123 -4.403 11.911 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.133 -3.178 12.054 1.00 1.05 O ATOM 394 NE2 GLN A 245 -5.989 -5.236 12.928 1.00 1.20 N ATOM 0 H GLN A 245 -4.895 -5.106 6.543 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.193 -4.983 8.188 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.607 -4.242 9.442 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.934 -3.114 9.645 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.318 -5.214 10.335 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.760 -5.992 10.528 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -5.986 -6.243 12.765 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -5.889 -4.872 13.876 1.00 1.20 H new ATOM 403 N LYS A 246 -7.430 -3.246 6.483 1.00 0.12 N ATOM 404 CA LYS A 246 -7.779 -2.106 5.691 1.00 0.12 C ATOM 405 C LYS A 246 -9.254 -1.869 5.902 1.00 0.15 C ATOM 406 O LYS A 246 -9.969 -2.774 6.337 1.00 0.19 O ATOM 407 CB LYS A 246 -7.431 -2.408 4.244 1.00 0.12 C ATOM 408 CG LYS A 246 -7.062 -1.226 3.341 1.00 0.13 C ATOM 409 CD LYS A 246 -5.672 -1.418 2.765 1.00 0.14 C ATOM 410 CE LYS A 246 -4.621 -0.908 3.693 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.266 -1.040 3.095 1.00 0.21 N ATOM 0 H LYS A 246 -8.104 -4.010 6.433 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.236 -1.203 5.971 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.596 -3.108 4.239 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.281 -2.922 3.794 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.788 -1.136 2.533 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.102 -0.298 3.911 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.502 -2.476 2.567 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.598 -0.899 1.809 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.817 0.138 3.929 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.662 -1.460 4.632 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.555 -0.678 3.762 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.072 -2.041 2.892 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.222 -0.493 2.211 1.00 0.21 H new ATOM 425 N ARG A 247 -9.712 -0.688 5.609 1.00 0.16 N ATOM 426 CA ARG A 247 -11.100 -0.372 5.762 1.00 0.16 C ATOM 427 C ARG A 247 -11.730 -0.591 4.411 1.00 0.14 C ATOM 428 O ARG A 247 -11.004 -0.803 3.441 1.00 0.14 O ATOM 429 CB ARG A 247 -11.264 1.081 6.225 1.00 0.17 C ATOM 430 CG ARG A 247 -10.914 2.112 5.163 1.00 0.18 C ATOM 431 CD ARG A 247 -10.754 3.515 5.733 1.00 0.23 C ATOM 432 NE ARG A 247 -11.905 4.379 5.454 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.897 4.632 6.305 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.969 3.998 7.469 1.00 1.63 N ATOM 435 NH2 ARG A 247 -13.823 5.521 5.976 1.00 0.63 N ATOM 0 H ARG A 247 -9.138 0.079 5.259 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.578 -0.997 6.516 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.295 1.236 6.542 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.634 1.246 7.099 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.988 1.818 4.669 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.693 2.121 4.401 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.608 3.449 6.811 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.855 3.970 5.317 1.00 0.23 H new ATOM 0 HE ARG A 247 -11.949 4.821 4.536 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.260 3.309 7.719 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.734 4.200 8.113 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -13.771 6.003 5.079 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.588 5.723 6.620 1.00 0.63 H new ATOM 449 N VAL A 248 -13.038 -0.624 4.327 1.00 0.15 N ATOM 450 CA VAL A 248 -13.659 -0.508 3.042 1.00 0.15 C ATOM 451 C VAL A 248 -14.070 0.942 2.835 1.00 0.14 C ATOM 452 O VAL A 248 -15.136 1.389 3.265 1.00 0.16 O ATOM 453 CB VAL A 248 -14.838 -1.486 2.855 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.772 -1.008 1.759 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.305 -2.868 2.510 1.00 0.21 C ATOM 0 H VAL A 248 -13.676 -0.728 5.116 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.939 -0.794 2.275 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.400 -1.531 3.788 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.594 -1.715 1.648 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.170 -0.028 2.022 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.224 -0.937 0.819 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.139 -3.557 2.378 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.728 -2.815 1.586 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.665 -3.223 3.318 1.00 0.21 H new ATOM 465 N PRO A 249 -13.158 1.719 2.246 1.00 0.13 N ATOM 466 CA PRO A 249 -13.387 3.067 1.868 1.00 0.15 C ATOM 467 C PRO A 249 -13.778 3.118 0.407 1.00 0.16 C ATOM 468 O PRO A 249 -14.498 2.252 -0.096 1.00 0.17 O ATOM 469 CB PRO A 249 -12.007 3.715 2.090 1.00 0.16 C ATOM 470 CG PRO A 249 -11.014 2.590 2.062 1.00 0.14 C ATOM 471 CD PRO A 249 -11.805 1.342 1.879 1.00 0.13 C ATOM 0 HA PRO A 249 -14.185 3.562 2.422 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.790 4.447 1.312 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.972 4.243 3.043 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.300 2.721 1.249 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.440 2.555 2.988 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.756 0.987 0.850 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.431 0.537 2.512 1.00 0.13 H new ATOM 479 N ASN A 250 -13.302 4.137 -0.252 1.00 0.17 N ATOM 480 CA ASN A 250 -13.362 4.232 -1.690 1.00 0.20 C ATOM 481 C ASN A 250 -12.443 5.342 -2.129 1.00 0.21 C ATOM 482 O ASN A 250 -11.794 5.980 -1.300 1.00 0.19 O ATOM 483 CB ASN A 250 -14.785 4.472 -2.236 1.00 0.24 C ATOM 484 CG ASN A 250 -15.555 5.622 -1.587 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.394 5.828 -0.291 1.00 1.18 O flip ATOM 486 ND2 ASN A 250 -16.328 6.297 -2.251 1.00 1.28 N flip ATOM 0 H ASN A 250 -12.855 4.937 0.197 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.048 3.272 -2.099 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.717 4.663 -3.307 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.362 3.556 -2.111 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.434 6.117 -3.250 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.867 7.040 -1.807 1.00 1.28 H new ATOM 493 N ALA A 251 -12.386 5.578 -3.417 1.00 0.26 N ATOM 494 CA ALA A 251 -11.525 6.610 -3.950 1.00 0.31 C ATOM 495 C ALA A 251 -12.069 7.997 -3.633 1.00 0.37 C ATOM 496 O ALA A 251 -11.380 9.001 -3.793 1.00 0.42 O ATOM 497 CB ALA A 251 -11.361 6.415 -5.446 1.00 0.39 C ATOM 0 H ALA A 251 -12.926 5.070 -4.118 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.547 6.531 -3.476 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.712 7.194 -5.845 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.917 5.438 -5.639 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.336 6.472 -5.929 1.00 0.39 H new ATOM 503 N TYR A 252 -13.308 8.047 -3.185 1.00 0.39 N ATOM 504 CA TYR A 252 -13.906 9.291 -2.738 1.00 0.47 C ATOM 505 C TYR A 252 -13.430 9.610 -1.336 1.00 0.46 C ATOM 506 O TYR A 252 -13.340 10.766 -0.928 1.00 0.56 O ATOM 507 CB TYR A 252 -15.417 9.162 -2.730 1.00 0.57 C ATOM 508 CG TYR A 252 -16.020 8.843 -4.076 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.321 9.045 -5.261 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.304 8.342 -4.153 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.896 8.754 -6.485 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.888 8.046 -5.368 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.181 8.255 -6.531 1.00 1.98 C ATOM 514 OH TYR A 252 -17.760 7.962 -7.743 1.00 2.53 O ATOM 0 H TYR A 252 -13.924 7.236 -3.120 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.611 10.090 -3.418 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.700 8.381 -2.024 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.848 10.094 -2.364 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.314 9.435 -5.225 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.863 8.178 -3.244 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.343 8.916 -7.398 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.893 7.653 -5.406 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.666 7.619 -7.598 1.00 2.53 H new ATOM 524 N ASP A 253 -13.127 8.554 -0.614 1.00 0.40 N ATOM 525 CA ASP A 253 -12.692 8.638 0.750 1.00 0.43 C ATOM 526 C ASP A 253 -11.235 8.931 0.780 1.00 0.38 C ATOM 527 O ASP A 253 -10.437 8.012 0.974 1.00 0.34 O ATOM 528 CB ASP A 253 -12.836 7.285 1.382 1.00 0.44 C ATOM 529 CG ASP A 253 -13.409 7.303 2.786 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.550 7.787 2.961 1.00 0.80 O ATOM 531 OD2 ASP A 253 -12.704 6.880 3.721 1.00 0.88 O ATOM 0 H ASP A 253 -13.179 7.600 -0.970 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.275 9.404 1.261 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.476 6.669 0.750 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.858 6.805 1.409 1.00 0.44 H new ATOM 536 N LYS A 254 -10.871 10.178 0.578 1.00 0.43 N ATOM 537 CA LYS A 254 -9.490 10.579 0.727 1.00 0.41 C ATOM 538 C LYS A 254 -8.599 9.841 -0.266 1.00 0.31 C ATOM 539 O LYS A 254 -7.381 9.956 -0.215 1.00 0.28 O ATOM 540 CB LYS A 254 -9.074 10.235 2.149 1.00 0.45 C ATOM 541 CG LYS A 254 -10.058 10.758 3.169 1.00 0.60 C ATOM 542 CD LYS A 254 -9.774 10.220 4.561 1.00 0.74 C ATOM 543 CE LYS A 254 -10.224 8.771 4.696 1.00 0.79 C ATOM 544 NZ LYS A 254 -9.856 8.200 6.019 1.00 1.32 N ATOM 0 H LYS A 254 -11.508 10.928 0.311 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.385 11.646 0.532 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.988 9.153 2.250 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.088 10.653 2.349 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.018 11.847 3.186 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.070 10.481 2.872 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.707 10.293 4.771 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.287 10.833 5.302 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.304 8.712 4.562 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -9.771 8.174 3.904 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -10.179 7.213 6.073 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -8.823 8.233 6.136 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -10.308 8.754 6.774 1.00 1.32 H new ATOM 558 N THR A 255 -9.252 9.090 -1.150 1.00 0.28 N ATOM 559 CA THR A 255 -8.645 8.068 -1.967 1.00 0.22 C ATOM 560 C THR A 255 -8.040 7.035 -1.051 1.00 0.15 C ATOM 561 O THR A 255 -6.913 7.169 -0.576 1.00 0.14 O ATOM 562 CB THR A 255 -7.630 8.565 -3.043 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.558 9.324 -2.474 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.336 9.403 -4.094 1.00 0.55 C ATOM 0 H THR A 255 -10.254 9.188 -1.315 1.00 0.28 H new ATOM 0 HA THR A 255 -9.439 7.638 -2.577 1.00 0.22 H new ATOM 0 HB THR A 255 -7.202 7.674 -3.503 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.597 9.264 -1.497 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.613 9.741 -4.836 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.104 8.803 -4.583 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.799 10.268 -3.619 1.00 0.55 H new ATOM 572 N ALA A 256 -8.889 6.102 -0.666 1.00 0.13 N ATOM 573 CA ALA A 256 -8.486 4.983 0.147 1.00 0.11 C ATOM 574 C ALA A 256 -8.817 3.641 -0.503 1.00 0.10 C ATOM 575 O ALA A 256 -9.623 3.552 -1.428 1.00 0.12 O ATOM 576 CB ALA A 256 -9.085 5.118 1.529 1.00 0.13 C ATOM 0 H ALA A 256 -9.879 6.103 -0.912 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.400 4.998 0.239 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.779 4.271 2.143 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.736 6.043 1.988 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.172 5.138 1.454 1.00 0.13 H new ATOM 582 N LEU A 257 -8.199 2.604 0.035 1.00 0.10 N ATOM 583 CA LEU A 257 -8.227 1.261 -0.539 1.00 0.09 C ATOM 584 C LEU A 257 -9.362 0.424 -0.010 1.00 0.09 C ATOM 585 O LEU A 257 -9.374 0.085 1.171 1.00 0.11 O ATOM 586 CB LEU A 257 -6.927 0.544 -0.182 1.00 0.11 C ATOM 587 CG LEU A 257 -5.702 0.905 -0.959 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.039 1.228 -2.386 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.974 2.049 -0.303 1.00 0.21 C ATOM 0 H LEU A 257 -7.655 2.667 0.895 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.356 1.378 -1.615 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.722 0.726 0.873 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.092 -0.528 -0.294 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.040 0.039 -0.965 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.128 1.487 -2.925 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.505 0.361 -2.855 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.729 2.071 -2.415 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.086 2.296 -0.884 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.630 2.918 -0.256 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.679 1.762 0.706 1.00 0.21 H new ATOM 601 N ALA A 258 -10.280 0.031 -0.885 1.00 0.10 N ATOM 602 CA ALA A 258 -11.390 -0.788 -0.456 1.00 0.11 C ATOM 603 C ALA A 258 -11.034 -2.235 -0.515 1.00 0.11 C ATOM 604 O ALA A 258 -11.162 -2.903 -1.543 1.00 0.14 O ATOM 605 CB ALA A 258 -12.596 -0.518 -1.298 1.00 0.14 C ATOM 0 H ALA A 258 -10.273 0.265 -1.878 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.621 -0.532 0.578 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.423 -1.144 -0.961 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.875 0.532 -1.208 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.371 -0.745 -2.340 1.00 0.14 H new ATOM 611 N LEU A 259 -10.594 -2.714 0.606 1.00 0.10 N ATOM 612 CA LEU A 259 -10.240 -4.091 0.730 1.00 0.12 C ATOM 613 C LEU A 259 -10.359 -4.541 2.159 1.00 0.12 C ATOM 614 O LEU A 259 -10.501 -3.733 3.078 1.00 0.12 O ATOM 615 CB LEU A 259 -8.820 -4.333 0.236 1.00 0.14 C ATOM 616 CG LEU A 259 -7.991 -3.073 0.045 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.582 -3.296 0.514 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.000 -2.656 -1.404 1.00 0.55 C ATOM 0 H LEU A 259 -10.471 -2.164 1.456 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.930 -4.668 0.115 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.309 -4.984 0.945 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.866 -4.869 -0.712 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.432 -2.274 0.641 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.002 -2.384 0.370 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.588 -3.559 1.572 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.132 -4.107 -0.059 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.403 -1.753 -1.526 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.579 -3.455 -2.015 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.025 -2.459 -1.720 1.00 0.55 H new ATOM 630 N GLU A 260 -10.300 -5.831 2.338 1.00 0.15 N ATOM 631 CA GLU A 260 -10.422 -6.411 3.649 1.00 0.16 C ATOM 632 C GLU A 260 -9.080 -6.866 4.151 1.00 0.15 C ATOM 633 O GLU A 260 -8.086 -6.881 3.433 1.00 0.16 O ATOM 634 CB GLU A 260 -11.347 -7.624 3.616 1.00 0.21 C ATOM 635 CG GLU A 260 -11.602 -8.248 4.978 1.00 0.23 C ATOM 636 CD GLU A 260 -12.745 -7.590 5.723 1.00 0.47 C ATOM 637 OE1 GLU A 260 -12.513 -6.543 6.369 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.879 -8.109 5.669 1.00 0.92 O ATOM 0 H GLU A 260 -10.167 -6.507 1.586 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.831 -5.646 4.309 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.301 -7.328 3.180 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -10.916 -8.378 2.958 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.820 -9.308 4.851 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.695 -8.179 5.579 1.00 0.23 H new ATOM 645 N VAL A 261 -9.067 -7.201 5.398 1.00 0.16 N ATOM 646 CA VAL A 261 -8.088 -8.077 5.930 1.00 0.16 C ATOM 647 C VAL A 261 -8.041 -9.386 5.144 1.00 0.17 C ATOM 648 O VAL A 261 -9.044 -10.087 5.009 1.00 0.21 O ATOM 649 CB VAL A 261 -8.431 -8.396 7.371 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.438 -9.393 7.928 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.500 -7.119 8.172 1.00 0.18 C ATOM 0 H VAL A 261 -9.747 -6.868 6.082 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.118 -7.585 5.863 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.414 -8.863 7.432 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.690 -9.618 8.964 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.473 -10.309 7.339 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.434 -8.971 7.883 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.747 -7.352 9.208 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.535 -6.613 8.134 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.268 -6.468 7.754 1.00 0.18 H new ATOM 661 N GLY A 262 -6.876 -9.694 4.635 1.00 0.17 N ATOM 662 CA GLY A 262 -6.655 -10.929 3.934 1.00 0.18 C ATOM 663 C GLY A 262 -6.750 -10.755 2.451 1.00 0.17 C ATOM 664 O GLY A 262 -6.592 -11.701 1.680 1.00 0.19 O ATOM 0 H GLY A 262 -6.054 -9.094 4.696 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.671 -11.321 4.191 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.387 -11.667 4.260 1.00 0.18 H new ATOM 668 N GLU A 263 -7.014 -9.538 2.054 1.00 0.16 N ATOM 669 CA GLU A 263 -7.022 -9.167 0.665 1.00 0.17 C ATOM 670 C GLU A 263 -5.636 -8.736 0.258 1.00 0.13 C ATOM 671 O GLU A 263 -4.690 -9.008 0.974 1.00 0.11 O ATOM 672 CB GLU A 263 -8.043 -8.071 0.556 1.00 0.18 C ATOM 673 CG GLU A 263 -9.310 -8.522 1.239 1.00 0.21 C ATOM 674 CD GLU A 263 -10.531 -8.354 0.364 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.962 -7.205 0.147 1.00 0.84 O ATOM 676 OE2 GLU A 263 -11.052 -9.374 -0.132 1.00 0.75 O ATOM 0 H GLU A 263 -7.231 -8.771 2.691 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.286 -9.984 -0.007 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.668 -7.158 1.019 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.240 -7.840 -0.491 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.212 -9.570 1.523 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.445 -7.953 2.159 1.00 0.21 H new ATOM 683 N LEU A 264 -5.479 -8.088 -0.866 1.00 0.17 N ATOM 684 CA LEU A 264 -4.154 -7.615 -1.224 1.00 0.18 C ATOM 685 C LEU A 264 -4.194 -6.262 -1.876 1.00 0.17 C ATOM 686 O LEU A 264 -5.156 -5.875 -2.534 1.00 0.31 O ATOM 687 CB LEU A 264 -3.369 -8.679 -2.009 1.00 0.48 C ATOM 688 CG LEU A 264 -2.825 -8.425 -3.439 1.00 0.31 C ATOM 689 CD1 LEU A 264 -1.910 -7.228 -3.566 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.997 -9.609 -3.822 1.00 0.83 C ATOM 0 H LEU A 264 -6.220 -7.877 -1.534 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.589 -7.461 -0.305 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.512 -8.952 -1.393 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.011 -9.558 -2.071 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.698 -8.248 -4.067 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.580 -7.130 -4.600 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.447 -6.327 -3.270 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.043 -7.363 -2.920 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.597 -9.464 -4.826 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.174 -9.721 -3.116 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.615 -10.507 -3.804 1.00 0.83 H new ATOM 702 N VAL A 265 -3.106 -5.576 -1.665 1.00 0.19 N ATOM 703 CA VAL A 265 -2.939 -4.213 -2.024 1.00 0.19 C ATOM 704 C VAL A 265 -1.545 -4.044 -2.660 1.00 0.24 C ATOM 705 O VAL A 265 -0.586 -4.665 -2.224 1.00 0.47 O ATOM 706 CB VAL A 265 -3.085 -3.415 -0.718 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.862 -3.571 0.127 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.333 -1.964 -0.892 1.00 0.27 C ATOM 0 H VAL A 265 -2.281 -5.977 -1.218 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.670 -3.863 -2.753 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.970 -3.837 -0.242 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.981 -3.000 1.048 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.719 -4.624 0.369 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -0.993 -3.203 -0.419 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.421 -1.490 0.086 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.503 -1.516 -1.439 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.257 -1.817 -1.451 1.00 0.27 H new ATOM 718 N LYS A 266 -1.432 -3.245 -3.696 1.00 0.14 N ATOM 719 CA LYS A 266 -0.184 -3.151 -4.455 1.00 0.15 C ATOM 720 C LYS A 266 0.311 -1.736 -4.483 1.00 0.32 C ATOM 721 O LYS A 266 -0.308 -0.875 -5.080 1.00 0.74 O ATOM 722 CB LYS A 266 -0.407 -3.669 -5.875 1.00 0.26 C ATOM 723 CG LYS A 266 0.740 -3.425 -6.852 1.00 0.42 C ATOM 724 CD LYS A 266 0.559 -2.148 -7.679 1.00 0.57 C ATOM 725 CE LYS A 266 -0.795 -2.077 -8.389 1.00 0.96 C ATOM 726 NZ LYS A 266 -1.027 -3.226 -9.304 1.00 1.84 N ATOM 0 H LYS A 266 -2.183 -2.647 -4.041 1.00 0.14 H new ATOM 0 HA LYS A 266 0.574 -3.764 -3.968 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.597 -4.741 -5.826 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.307 -3.203 -6.276 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.676 -3.362 -6.297 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.825 -4.278 -7.525 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.666 -1.282 -7.026 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.355 -2.088 -8.421 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.590 -2.046 -7.644 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.854 -1.149 -8.957 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.935 -3.101 -9.796 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.259 -3.274 -10.003 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -1.050 -4.108 -8.754 1.00 1.84 H new ATOM 740 N VAL A 267 1.442 -1.481 -3.882 1.00 0.14 N ATOM 741 CA VAL A 267 1.847 -0.121 -3.745 1.00 0.16 C ATOM 742 C VAL A 267 2.680 0.304 -4.948 1.00 0.20 C ATOM 743 O VAL A 267 3.790 -0.174 -5.193 1.00 0.23 O ATOM 744 CB VAL A 267 2.533 0.153 -2.400 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.867 -0.550 -2.284 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.644 1.643 -2.190 1.00 0.22 C ATOM 0 H VAL A 267 2.078 -2.177 -3.492 1.00 0.14 H new ATOM 0 HA VAL A 267 0.954 0.504 -3.734 1.00 0.16 H new ATOM 0 HB VAL A 267 1.918 -0.263 -1.602 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.314 -0.326 -1.315 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.720 -1.626 -2.375 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.530 -0.206 -3.078 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.131 1.841 -1.235 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.233 2.081 -2.995 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.648 2.085 -2.188 1.00 0.22 H new ATOM 756 N THR A 268 2.061 1.194 -5.698 1.00 0.21 N ATOM 757 CA THR A 268 2.496 1.631 -6.999 1.00 0.24 C ATOM 758 C THR A 268 2.852 3.122 -6.999 1.00 0.24 C ATOM 759 O THR A 268 3.460 3.626 -7.940 1.00 0.35 O ATOM 760 CB THR A 268 1.330 1.432 -7.988 1.00 0.26 C ATOM 761 OG1 THR A 268 1.693 1.893 -9.295 1.00 0.31 O ATOM 762 CG2 THR A 268 0.084 2.179 -7.491 1.00 0.24 C ATOM 0 H THR A 268 1.200 1.651 -5.397 1.00 0.21 H new ATOM 0 HA THR A 268 3.378 1.055 -7.279 1.00 0.24 H new ATOM 0 HB THR A 268 1.105 0.367 -8.048 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.363 2.604 -9.217 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.734 2.032 -8.196 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.206 1.793 -6.514 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.306 3.243 -7.409 1.00 0.24 H new ATOM 770 N LYS A 269 2.449 3.824 -5.949 1.00 0.20 N ATOM 771 CA LYS A 269 2.473 5.275 -5.944 1.00 0.23 C ATOM 772 C LYS A 269 3.424 5.778 -4.880 1.00 0.28 C ATOM 773 O LYS A 269 3.096 5.795 -3.708 1.00 0.45 O ATOM 774 CB LYS A 269 1.075 5.829 -5.645 1.00 0.25 C ATOM 775 CG LYS A 269 0.938 7.341 -5.809 1.00 0.49 C ATOM 776 CD LYS A 269 1.422 7.825 -7.169 1.00 0.59 C ATOM 777 CE LYS A 269 2.725 8.604 -7.049 1.00 0.49 C ATOM 778 NZ LYS A 269 3.224 9.074 -8.371 1.00 1.40 N ATOM 0 H LYS A 269 2.100 3.407 -5.086 1.00 0.20 H new ATOM 0 HA LYS A 269 2.802 5.611 -6.927 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.357 5.340 -6.303 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.804 5.562 -4.623 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.106 7.625 -5.676 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.507 7.841 -5.025 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.566 6.971 -7.831 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.659 8.456 -7.625 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.574 9.462 -6.394 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.481 7.974 -6.580 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.112 9.599 -8.240 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.394 8.255 -8.989 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.515 9.697 -8.808 1.00 1.40 H new ATOM 792 N ILE A 270 4.594 6.185 -5.280 1.00 0.31 N ATOM 793 CA ILE A 270 5.533 6.747 -4.335 1.00 0.34 C ATOM 794 C ILE A 270 5.359 8.261 -4.247 1.00 0.38 C ATOM 795 O ILE A 270 5.779 9.004 -5.134 1.00 0.42 O ATOM 796 CB ILE A 270 6.993 6.410 -4.696 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.083 5.614 -6.001 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.650 5.626 -3.574 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.746 6.400 -7.249 1.00 1.44 C ATOM 0 H ILE A 270 4.925 6.142 -6.244 1.00 0.31 H new ATOM 0 HA ILE A 270 5.318 6.298 -3.365 1.00 0.34 H new ATOM 0 HB ILE A 270 7.519 7.354 -4.836 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.094 5.219 -6.100 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.411 4.758 -5.935 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.680 5.396 -3.845 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.639 6.220 -2.660 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.103 4.698 -3.410 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.837 5.754 -8.122 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.724 6.773 -7.179 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.433 7.240 -7.346 1.00 1.44 H new ATOM 877 N TRP A 276 2.381 6.083 1.285 1.00 0.41 N ATOM 878 CA TRP A 276 2.186 6.059 -0.146 1.00 0.33 C ATOM 879 C TRP A 276 0.842 5.461 -0.496 1.00 0.23 C ATOM 880 O TRP A 276 0.061 5.092 0.385 1.00 0.22 O ATOM 881 CB TRP A 276 3.308 5.286 -0.846 1.00 0.41 C ATOM 882 CG TRP A 276 4.557 5.180 -0.029 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.792 4.294 0.975 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.734 5.992 -0.123 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.028 4.515 1.515 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.627 5.545 0.858 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.117 7.044 -0.937 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.877 6.120 1.048 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.360 7.620 -0.753 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.227 7.157 0.236 1.00 0.82 C ATOM 0 HA TRP A 276 2.211 7.090 -0.499 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.954 4.284 -1.086 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.542 5.776 -1.791 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.103 3.528 1.298 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.437 3.991 2.288 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.453 7.410 -1.706 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.548 5.758 1.813 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.664 8.441 -1.385 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.191 7.628 0.360 1.00 0.82 H new ATOM 901 N GLU A 277 0.590 5.365 -1.785 1.00 0.19 N ATOM 902 CA GLU A 277 -0.697 4.994 -2.293 1.00 0.16 C ATOM 903 C GLU A 277 -0.650 3.667 -2.965 1.00 0.19 C ATOM 904 O GLU A 277 0.162 3.442 -3.822 1.00 0.48 O ATOM 905 CB GLU A 277 -1.178 6.056 -3.255 1.00 0.15 C ATOM 906 CG GLU A 277 -1.954 7.142 -2.555 1.00 0.23 C ATOM 907 CD GLU A 277 -2.365 8.271 -3.471 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.144 8.154 -4.694 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.887 9.290 -2.978 1.00 0.92 O ATOM 0 H GLU A 277 1.285 5.546 -2.509 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.393 4.914 -1.458 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.322 6.495 -3.768 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.806 5.596 -4.018 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.846 6.708 -2.103 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.349 7.545 -1.743 1.00 0.23 H new ATOM 916 N GLY A 278 -1.527 2.798 -2.557 1.00 0.39 N ATOM 917 CA GLY A 278 -1.633 1.539 -3.182 1.00 0.34 C ATOM 918 C GLY A 278 -2.747 1.529 -4.189 1.00 0.28 C ATOM 919 O GLY A 278 -3.532 2.473 -4.280 1.00 0.32 O ATOM 0 H GLY A 278 -2.178 2.952 -1.787 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.692 1.293 -3.674 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.811 0.770 -2.430 1.00 0.34 H new ATOM 923 N GLU A 279 -2.815 0.461 -4.924 1.00 0.22 N ATOM 924 CA GLU A 279 -3.845 0.232 -5.873 1.00 0.18 C ATOM 925 C GLU A 279 -4.068 -1.245 -5.898 1.00 0.13 C ATOM 926 O GLU A 279 -3.177 -2.029 -6.229 1.00 0.14 O ATOM 927 CB GLU A 279 -3.511 0.733 -7.260 1.00 0.25 C ATOM 928 CG GLU A 279 -4.714 0.612 -8.164 1.00 0.27 C ATOM 929 CD GLU A 279 -4.653 -0.581 -9.092 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.979 -0.484 -10.136 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.269 -1.616 -8.780 1.00 0.99 O ATOM 0 H GLU A 279 -2.131 -0.294 -4.873 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.736 0.786 -5.577 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.188 1.773 -7.211 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.680 0.160 -7.671 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.613 0.541 -7.552 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.805 1.521 -8.759 1.00 0.27 H new ATOM 938 N CYS A 280 -5.221 -1.616 -5.463 1.00 0.10 N ATOM 939 CA CYS A 280 -5.535 -2.990 -5.263 1.00 0.12 C ATOM 940 C CYS A 280 -6.651 -3.420 -6.179 1.00 0.15 C ATOM 941 O CYS A 280 -7.814 -3.265 -5.842 1.00 0.19 O ATOM 942 CB CYS A 280 -5.964 -3.103 -3.842 1.00 0.17 C ATOM 943 SG CYS A 280 -5.451 -1.692 -2.882 1.00 1.52 S ATOM 0 H CYS A 280 -5.978 -0.972 -5.234 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.679 -3.629 -5.481 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.049 -3.199 -3.796 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.545 -4.010 -3.407 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.242 -1.354 -3.220 1.00 1.52 H new ATOM 949 N ASN A 281 -6.291 -3.935 -7.341 1.00 0.18 N ATOM 950 CA ASN A 281 -7.280 -4.403 -8.314 1.00 0.25 C ATOM 951 C ASN A 281 -8.391 -3.365 -8.525 1.00 0.23 C ATOM 952 O ASN A 281 -9.569 -3.705 -8.644 1.00 0.32 O ATOM 953 CB ASN A 281 -7.870 -5.746 -7.869 1.00 0.33 C ATOM 954 CG ASN A 281 -6.951 -6.925 -8.159 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.656 -6.668 -8.300 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -7.407 -8.062 -8.287 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.322 -4.043 -7.640 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.774 -4.543 -9.269 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.078 -5.709 -6.800 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.823 -5.903 -8.374 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -8.407 -8.226 -8.172 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.784 -8.839 -8.508 1.00 0.69 H new ATOM 963 N GLY A 282 -7.997 -2.095 -8.591 1.00 0.17 N ATOM 964 CA GLY A 282 -8.932 -1.041 -8.904 1.00 0.18 C ATOM 965 C GLY A 282 -9.310 -0.167 -7.719 1.00 0.16 C ATOM 966 O GLY A 282 -10.045 0.805 -7.883 1.00 0.28 O ATOM 0 H GLY A 282 -7.040 -1.782 -8.431 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.503 -0.411 -9.683 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.838 -1.486 -9.316 1.00 0.18 H new ATOM 970 N LYS A 283 -8.806 -0.474 -6.530 1.00 0.10 N ATOM 971 CA LYS A 283 -8.922 0.469 -5.430 1.00 0.10 C ATOM 972 C LYS A 283 -7.625 1.190 -5.317 1.00 0.09 C ATOM 973 O LYS A 283 -6.575 0.595 -5.505 1.00 0.12 O ATOM 974 CB LYS A 283 -9.204 -0.133 -4.054 1.00 0.11 C ATOM 975 CG LYS A 283 -10.424 -1.030 -3.972 1.00 0.15 C ATOM 976 CD LYS A 283 -10.179 -2.388 -4.601 1.00 0.14 C ATOM 977 CE LYS A 283 -11.440 -3.209 -4.665 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.340 -4.305 -5.660 1.00 0.38 N ATOM 0 H LYS A 283 -8.325 -1.346 -6.308 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.781 1.094 -5.676 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.331 -0.706 -3.742 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.324 0.680 -3.338 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.707 -1.161 -2.928 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.263 -0.546 -4.472 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.779 -2.256 -5.606 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.424 -2.925 -4.026 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.649 -3.630 -3.682 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.280 -2.563 -4.920 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.229 -4.845 -5.672 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.167 -3.903 -6.603 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.555 -4.936 -5.403 1.00 0.38 H new ATOM 992 N ARG A 284 -7.694 2.449 -5.001 1.00 0.07 N ATOM 993 CA ARG A 284 -6.506 3.249 -4.862 1.00 0.09 C ATOM 994 C ARG A 284 -6.645 4.172 -3.683 1.00 0.11 C ATOM 995 O ARG A 284 -7.748 4.598 -3.342 1.00 0.13 O ATOM 996 CB ARG A 284 -6.234 4.041 -6.113 1.00 0.11 C ATOM 997 CG ARG A 284 -6.448 3.213 -7.345 1.00 0.20 C ATOM 998 CD ARG A 284 -5.750 3.815 -8.529 1.00 0.35 C ATOM 999 NE ARG A 284 -6.316 3.360 -9.797 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.298 4.084 -10.916 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -5.698 5.269 -10.934 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -6.867 3.624 -12.020 1.00 1.46 N ATOM 0 H ARG A 284 -8.566 2.951 -4.833 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.661 2.580 -4.698 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.887 4.913 -6.142 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.209 4.411 -6.095 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.078 2.202 -7.176 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.515 3.131 -7.551 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.816 4.902 -8.473 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.691 3.558 -8.493 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.749 2.437 -9.828 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -5.250 5.627 -10.090 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -5.685 5.821 -11.791 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -7.322 2.711 -12.017 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -6.850 4.183 -12.873 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.532 4.492 -3.082 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.560 5.251 -1.866 1.00 0.14 C ATOM 1018 C GLY A 285 -4.289 5.117 -1.092 1.00 0.15 C ATOM 1019 O GLY A 285 -3.360 4.530 -1.572 1.00 0.24 O ATOM 0 H GLY A 285 -4.601 4.240 -3.413 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.734 6.302 -2.099 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.396 4.919 -1.250 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.246 5.616 0.122 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.021 5.626 0.881 1.00 0.12 C ATOM 1025 C HIS A 286 -3.239 5.070 2.252 1.00 0.12 C ATOM 1026 O HIS A 286 -4.285 5.294 2.857 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.472 7.042 0.974 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.527 8.104 1.078 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.388 8.220 2.151 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.870 9.085 0.214 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.219 9.224 1.937 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.923 9.768 0.770 1.00 0.23 N ATOM 0 H HIS A 286 -5.048 6.021 0.604 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.296 4.996 0.366 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.817 7.110 1.843 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.858 7.240 0.096 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.403 9.293 -0.737 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.006 9.546 2.603 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.400 10.566 0.350 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.222 4.389 2.747 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.356 3.587 3.959 1.00 0.11 C ATOM 1043 C PHE A 287 -0.998 3.074 4.430 1.00 0.15 C ATOM 1044 O PHE A 287 -0.244 2.504 3.642 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.271 2.373 3.719 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.764 2.597 3.867 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.291 3.395 4.874 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.641 2.001 2.977 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.655 3.589 4.983 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.001 2.192 3.081 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.509 2.987 4.083 1.00 0.12 C ATOM 0 H PHE A 287 -1.291 4.372 2.331 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.791 4.234 4.721 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.082 2.000 2.712 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.976 1.584 4.411 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.627 3.870 5.581 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.252 1.375 2.187 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.051 4.211 5.772 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.669 1.718 2.377 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.575 3.139 4.164 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.662 3.295 5.715 1.00 0.17 N ATOM 1062 CA PRO A 288 0.506 2.700 6.362 1.00 0.23 C ATOM 1063 C PRO A 288 0.702 1.212 6.077 1.00 0.18 C ATOM 1064 O PRO A 288 -0.244 0.464 5.799 1.00 0.16 O ATOM 1065 CB PRO A 288 0.216 2.864 7.858 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.981 3.753 7.979 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.299 4.266 6.607 1.00 0.23 C ATOM 0 HA PRO A 288 1.412 3.184 5.997 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.025 1.896 8.322 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.073 3.300 8.371 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.828 3.203 8.389 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.778 4.579 8.660 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.375 4.318 6.439 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.903 5.270 6.454 1.00 0.23 H new ATOM 1075 N PHE A 289 1.956 0.798 6.166 1.00 0.23 N ATOM 1076 CA PHE A 289 2.332 -0.612 6.083 1.00 0.26 C ATOM 1077 C PHE A 289 1.957 -1.341 7.367 1.00 0.23 C ATOM 1078 O PHE A 289 2.042 -2.566 7.444 1.00 0.26 O ATOM 1079 CB PHE A 289 3.838 -0.734 5.806 1.00 0.38 C ATOM 1080 CG PHE A 289 4.453 -2.062 6.166 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.484 -3.090 5.250 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.005 -2.273 7.418 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.054 -4.310 5.569 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.573 -3.489 7.746 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.599 -4.509 6.820 1.00 0.26 C ATOM 0 H PHE A 289 2.747 1.429 6.298 1.00 0.23 H new ATOM 0 HA PHE A 289 1.787 -1.077 5.261 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.012 -0.547 4.746 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.357 0.050 6.358 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.057 -2.942 4.269 1.00 0.26 H new ATOM 0 HD2 PHE A 289 4.991 -1.477 8.148 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.072 -5.106 4.839 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.997 -3.640 8.728 1.00 0.31 H new ATOM 0 HZ PHE A 289 6.044 -5.460 7.073 1.00 0.26 H new ATOM 1095 N THR A 290 1.485 -0.575 8.344 1.00 0.24 N ATOM 1096 CA THR A 290 1.175 -1.067 9.677 1.00 0.27 C ATOM 1097 C THR A 290 0.156 -2.213 9.683 1.00 0.23 C ATOM 1098 O THR A 290 -0.234 -2.698 10.745 1.00 0.28 O ATOM 1099 CB THR A 290 0.634 0.087 10.533 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.483 0.701 9.874 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.713 1.129 10.780 1.00 0.44 C ATOM 0 H THR A 290 1.305 0.422 8.228 1.00 0.24 H new ATOM 0 HA THR A 290 2.104 -1.463 10.087 1.00 0.27 H new ATOM 0 HB THR A 290 0.315 -0.319 11.493 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.825 1.435 10.426 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.306 1.937 11.389 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.551 0.668 11.302 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.056 1.531 9.827 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.276 -2.647 8.504 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.319 -3.641 8.404 1.00 0.16 C ATOM 1111 C HIS A 291 -1.314 -4.279 7.035 1.00 0.14 C ATOM 1112 O HIS A 291 -2.376 -4.563 6.467 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.700 -3.059 8.712 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.941 -1.649 8.252 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.631 -0.639 8.830 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.528 -1.170 7.029 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.638 0.419 7.949 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.961 0.069 6.875 1.00 0.77 N flip ATOM 0 H HIS A 291 0.085 -2.321 7.608 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.110 -4.404 9.154 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.453 -3.702 8.256 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.857 -3.100 9.790 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.067 -0.658 9.752 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.942 -1.721 6.308 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.117 1.373 8.111 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.129 -4.473 6.484 1.00 0.16 N ATOM 1128 CA VAL A 292 0.008 -5.308 5.311 1.00 0.15 C ATOM 1129 C VAL A 292 1.127 -6.305 5.475 1.00 0.19 C ATOM 1130 O VAL A 292 2.177 -6.027 6.058 1.00 0.22 O ATOM 1131 CB VAL A 292 0.259 -4.485 4.035 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.917 -3.603 3.734 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.520 -3.652 4.158 1.00 0.31 C ATOM 0 H VAL A 292 0.742 -4.067 6.827 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.940 -5.835 5.205 1.00 0.15 H new ATOM 0 HB VAL A 292 0.393 -5.185 3.210 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.719 -3.030 2.828 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.805 -4.218 3.588 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.082 -2.920 4.567 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.670 -3.082 3.241 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.422 -2.966 5.000 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.375 -4.308 4.322 1.00 0.31 H new ATOM 1143 N ARG A 293 0.845 -7.477 4.981 1.00 0.22 N ATOM 1144 CA ARG A 293 1.843 -8.468 4.703 1.00 0.21 C ATOM 1145 C ARG A 293 2.250 -8.144 3.306 1.00 0.32 C ATOM 1146 O ARG A 293 1.522 -7.434 2.647 1.00 0.70 O ATOM 1147 CB ARG A 293 1.222 -9.856 4.733 1.00 0.19 C ATOM 1148 CG ARG A 293 0.142 -9.987 5.771 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.809 -11.114 5.450 1.00 0.26 C ATOM 1150 NE ARG A 293 -0.137 -12.412 5.336 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.769 -13.571 5.145 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -2.095 -13.625 5.169 1.00 1.09 N ATOM 1153 NH2 ARG A 293 -0.070 -14.684 4.957 1.00 0.60 N ATOM 0 H ARG A 293 -0.104 -7.775 4.756 1.00 0.22 H new ATOM 0 HA ARG A 293 2.665 -8.464 5.419 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.806 -10.085 3.752 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.000 -10.593 4.929 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.595 -10.160 6.747 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.413 -9.051 5.839 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.571 -11.172 6.227 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.323 -10.893 4.515 1.00 0.26 H new ATOM 0 HE ARG A 293 0.880 -12.430 5.407 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.637 -12.777 5.334 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.572 -14.515 5.022 1.00 1.09 H new ATOM 0 HH21 ARG A 293 0.950 -14.652 4.959 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.553 -15.571 4.811 1.00 0.60 H new ATOM 1167 N LEU A 294 3.386 -8.555 2.855 1.00 0.18 N ATOM 1168 CA LEU A 294 3.678 -8.355 1.455 1.00 0.18 C ATOM 1169 C LEU A 294 3.838 -9.641 0.678 1.00 0.21 C ATOM 1170 O LEU A 294 4.001 -10.730 1.226 1.00 0.30 O ATOM 1171 CB LEU A 294 4.910 -7.502 1.232 1.00 0.22 C ATOM 1172 CG LEU A 294 5.232 -6.468 2.307 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.491 -5.714 1.942 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.081 -5.502 2.495 1.00 0.58 C ATOM 0 H LEU A 294 4.112 -9.017 3.402 1.00 0.18 H new ATOM 0 HA LEU A 294 2.799 -7.832 1.077 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.769 -8.165 1.130 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.795 -6.980 0.282 1.00 0.22 H new ATOM 0 HG LEU A 294 5.391 -6.994 3.249 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.712 -4.979 2.716 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.323 -6.414 1.858 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.347 -5.206 0.989 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.337 -4.776 3.267 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.886 -4.981 1.557 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.190 -6.052 2.796 1.00 0.58 H new ATOM 1186 N LEU A 295 3.759 -9.452 -0.619 1.00 0.20 N ATOM 1187 CA LEU A 295 3.941 -10.446 -1.612 1.00 0.22 C ATOM 1188 C LEU A 295 5.051 -9.980 -2.548 1.00 0.28 C ATOM 1189 O LEU A 295 5.703 -8.971 -2.270 1.00 0.31 O ATOM 1190 CB LEU A 295 2.649 -10.538 -2.378 1.00 0.23 C ATOM 1191 CG LEU A 295 1.772 -11.744 -2.101 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.062 -11.539 -0.783 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.773 -11.943 -3.228 1.00 0.28 C ATOM 0 H LEU A 295 3.552 -8.536 -1.018 1.00 0.20 H new ATOM 0 HA LEU A 295 4.206 -11.412 -1.181 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.067 -9.640 -2.170 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.884 -10.527 -3.442 1.00 0.23 H new ATOM 0 HG LEU A 295 2.388 -12.641 -2.042 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.428 -12.401 -0.573 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.798 -11.428 0.013 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.447 -10.641 -0.837 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.151 -12.812 -3.014 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.142 -11.058 -3.315 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.308 -12.101 -4.165 1.00 0.28 H new ATOM 1205 N ASP A 296 5.241 -10.658 -3.668 1.00 0.39 N ATOM 1206 CA ASP A 296 6.310 -10.279 -4.585 1.00 0.50 C ATOM 1207 C ASP A 296 5.969 -9.004 -5.373 1.00 0.73 C ATOM 1208 O ASP A 296 6.480 -7.955 -5.041 1.00 1.81 O ATOM 1209 CB ASP A 296 6.716 -11.444 -5.506 1.00 0.84 C ATOM 1210 CG ASP A 296 5.605 -11.954 -6.397 1.00 1.76 C ATOM 1211 OD1 ASP A 296 4.547 -12.360 -5.871 1.00 2.44 O ATOM 1212 OD2 ASP A 296 5.793 -11.974 -7.629 1.00 2.42 O ATOM 0 H ASP A 296 4.682 -11.459 -3.963 1.00 0.39 H new ATOM 0 HA ASP A 296 7.183 -10.043 -3.976 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.549 -11.123 -6.132 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.079 -12.268 -4.891 1.00 0.84 H new ATOM 1217 N GLN A 297 5.110 -9.079 -6.391 1.00 0.53 N ATOM 1218 CA GLN A 297 4.826 -7.940 -7.276 1.00 0.41 C ATOM 1219 C GLN A 297 3.704 -8.303 -8.242 1.00 0.64 C ATOM 1220 O GLN A 297 3.514 -9.512 -8.495 1.00 1.25 O ATOM 1221 CB GLN A 297 6.094 -7.584 -8.039 1.00 0.51 C ATOM 1222 CG GLN A 297 6.852 -8.785 -8.562 1.00 0.88 C ATOM 1223 CD GLN A 297 8.299 -8.462 -8.831 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.682 -8.135 -9.951 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.107 -8.509 -7.786 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.021 -7.385 -8.743 1.00 1.41 O ATOM 0 H GLN A 297 4.592 -9.925 -6.627 1.00 0.53 H new ATOM 0 HA GLN A 297 4.506 -7.080 -6.688 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.833 -6.938 -8.877 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.750 -7.009 -7.386 1.00 0.51 H new ATOM 0 HG2 GLN A 297 6.790 -9.597 -7.838 1.00 0.88 H new ATOM 0 HG3 GLN A 297 6.382 -9.139 -9.480 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.745 -8.786 -6.874 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.092 -8.268 -7.892 1.00 1.02 H new