USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 73 HIS : no HD1:sc= -0.31 K(o=-0.58,f=-2.2) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.266 K(o=-0.58,f=-2.7) USER MOD Set 1.3: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 LYS NZ :NH3+ -147:sc= -0.856 (180deg=-1.19) USER MOD Set 2.2: A 92 TYR OH : rot 160:sc= 1.18 USER MOD Single : A 18 THR OG1 : rot 26:sc= 0.107 USER MOD Single : A 19 TYR OH : rot 62:sc= 0.668 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 103:sc= 0.997 USER MOD Single : A 27 SER OG : rot 13:sc= 0.189 USER MOD Single : A 32 SER OG : rot 38:sc= 0.0262 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0362) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 130:sc= -1.09 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -123:sc= -3.16! (180deg=-8.01!) USER MOD Single : A 97 THR OG1 : rot 36:sc= 0.00396 USER MOD Single : A 98 TYR OH : rot 165:sc= 0.225 USER MOD Single : A 106 SER OG : rot 22:sc= -0.584 USER MOD Single : A 108 TYR OH : rot 180:sc=-0.00248 USER MOD Single : A 113 THR OG1 : rot 51:sc= 0.958 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -3.098 -20.596 -0.871 1.00 0.00 N ATOM 245 CA THR A 18 -1.692 -20.556 -0.492 1.00 0.00 C ATOM 246 C THR A 18 -1.297 -19.172 0.011 1.00 0.00 C ATOM 247 O THR A 18 -0.370 -19.032 0.809 1.00 0.00 O ATOM 248 CB THR A 18 -0.781 -20.939 -1.674 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.164 -22.217 -2.194 1.00 0.00 O ATOM 250 CG2 THR A 18 0.678 -20.978 -1.242 1.00 0.00 C ATOM 0 HA THR A 18 -1.560 -21.282 0.310 1.00 0.00 H new ATOM 0 HB THR A 18 -0.894 -20.183 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.109 -22.381 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.302 -21.251 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.975 -19.996 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.803 -21.716 -0.449 1.00 0.00 H new ATOM 258 N TYR A 19 -2.006 -18.152 -0.459 1.00 0.00 N ATOM 259 CA TYR A 19 -1.728 -16.778 -0.057 1.00 0.00 C ATOM 260 C TYR A 19 -1.895 -16.607 1.449 1.00 0.00 C ATOM 261 O TYR A 19 -2.591 -17.386 2.101 1.00 0.00 O ATOM 262 CB TYR A 19 -2.654 -15.811 -0.798 1.00 0.00 C ATOM 263 CG TYR A 19 -4.001 -15.634 -0.134 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.158 -14.773 0.945 1.00 0.00 C ATOM 265 CD2 TYR A 19 -5.117 -16.329 -0.585 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.387 -14.609 1.555 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.349 -16.169 0.018 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.479 -15.309 1.088 1.00 0.00 C ATOM 269 OH TYR A 19 -7.705 -15.147 1.692 1.00 0.00 O ATOM 0 H TYR A 19 -2.778 -18.250 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.694 -16.552 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.165 -14.840 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.804 -16.173 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.305 -14.222 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.019 -17.006 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.492 -13.936 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.207 -16.715 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.990 -14.213 1.608 1.00 0.00 H new ATOM 279 N ASP A 20 -1.253 -15.581 1.996 1.00 0.00 N ATOM 280 CA ASP A 20 -1.330 -15.304 3.426 1.00 0.00 C ATOM 281 C ASP A 20 -0.976 -13.849 3.717 1.00 0.00 C ATOM 282 O ASP A 20 0.123 -13.393 3.405 1.00 0.00 O ATOM 283 CB ASP A 20 -0.394 -16.235 4.198 1.00 0.00 C ATOM 284 CG ASP A 20 -1.053 -17.553 4.555 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.132 -17.526 5.183 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.489 -18.611 4.206 1.00 0.00 O ATOM 0 H ASP A 20 -0.673 -14.927 1.471 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.355 -15.481 3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.497 -16.428 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.064 -15.738 5.110 1.00 0.00 H new ATOM 291 N ALA A 21 -1.915 -13.126 4.318 1.00 0.00 N ATOM 292 CA ALA A 21 -1.702 -11.723 4.652 1.00 0.00 C ATOM 293 C ALA A 21 -0.666 -11.575 5.762 1.00 0.00 C ATOM 294 O ALA A 21 0.253 -10.763 5.661 1.00 0.00 O ATOM 295 CB ALA A 21 -3.015 -11.073 5.063 1.00 0.00 C ATOM 0 H ALA A 21 -2.831 -13.489 4.584 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.321 -11.217 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.841 -10.026 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.727 -11.139 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.419 -11.589 5.934 1.00 0.00 H new ATOM 301 N SER A 22 -0.822 -12.364 6.820 1.00 0.00 N ATOM 302 CA SER A 22 0.097 -12.317 7.951 1.00 0.00 C ATOM 303 C SER A 22 1.546 -12.389 7.477 1.00 0.00 C ATOM 304 O SER A 22 2.453 -11.879 8.134 1.00 0.00 O ATOM 305 CB SER A 22 -0.192 -13.466 8.919 1.00 0.00 C ATOM 306 OG SER A 22 -0.216 -14.710 8.241 1.00 0.00 O ATOM 0 H SER A 22 -1.576 -13.044 6.918 1.00 0.00 H new ATOM 0 HA SER A 22 -0.052 -11.369 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.569 -13.488 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.150 -13.298 9.412 1.00 0.00 H new ATOM 0 HG SER A 22 -0.401 -15.428 8.882 1.00 0.00 H new ATOM 312 N LYS A 23 1.755 -13.026 6.330 1.00 0.00 N ATOM 313 CA LYS A 23 3.092 -13.165 5.764 1.00 0.00 C ATOM 314 C LYS A 23 3.434 -11.972 4.877 1.00 0.00 C ATOM 315 O LYS A 23 4.192 -12.099 3.915 1.00 0.00 O ATOM 316 CB LYS A 23 3.194 -14.461 4.956 1.00 0.00 C ATOM 317 CG LYS A 23 3.360 -15.702 5.815 1.00 0.00 C ATOM 318 CD LYS A 23 4.746 -15.771 6.434 1.00 0.00 C ATOM 319 CE LYS A 23 4.979 -17.100 7.135 1.00 0.00 C ATOM 320 NZ LYS A 23 4.279 -17.165 8.448 1.00 0.00 N ATOM 0 H LYS A 23 1.015 -13.455 5.774 1.00 0.00 H new ATOM 0 HA LYS A 23 3.806 -13.200 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.298 -14.570 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.039 -14.387 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.608 -15.703 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.187 -16.591 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.499 -15.631 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.868 -14.956 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.631 -17.913 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.048 -17.248 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.463 -18.086 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.629 -16.405 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.256 -17.049 8.302 1.00 0.00 H new ATOM 334 N VAL A 24 2.872 -10.814 5.208 1.00 0.00 N ATOM 335 CA VAL A 24 3.120 -9.598 4.443 1.00 0.00 C ATOM 336 C VAL A 24 3.678 -8.493 5.333 1.00 0.00 C ATOM 337 O VAL A 24 3.023 -8.051 6.278 1.00 0.00 O ATOM 338 CB VAL A 24 1.836 -9.092 3.760 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.105 -7.801 3.004 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.273 -10.157 2.831 1.00 0.00 C ATOM 0 H VAL A 24 2.242 -10.692 6.001 1.00 0.00 H new ATOM 0 HA VAL A 24 3.854 -9.850 3.678 1.00 0.00 H new ATOM 0 HB VAL A 24 1.093 -8.884 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.186 -7.460 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.459 -7.039 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.864 -7.977 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.366 -9.783 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.010 -10.398 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.039 -11.054 3.405 1.00 0.00 H new ATOM 350 N THR A 25 4.893 -8.049 5.025 1.00 0.00 N ATOM 351 CA THR A 25 5.540 -6.996 5.797 1.00 0.00 C ATOM 352 C THR A 25 6.173 -5.954 4.883 1.00 0.00 C ATOM 353 O THR A 25 6.624 -6.272 3.782 1.00 0.00 O ATOM 354 CB THR A 25 6.623 -7.569 6.731 1.00 0.00 C ATOM 355 OG1 THR A 25 7.597 -8.289 5.968 1.00 0.00 O ATOM 356 CG2 THR A 25 6.007 -8.489 7.774 1.00 0.00 C ATOM 0 H THR A 25 5.448 -8.403 4.246 1.00 0.00 H new ATOM 0 HA THR A 25 4.764 -6.523 6.399 1.00 0.00 H new ATOM 0 HB THR A 25 7.106 -6.737 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.402 -7.740 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.791 -8.881 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.288 -7.930 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.500 -9.316 7.276 1.00 0.00 H new ATOM 364 N ALA A 26 6.205 -4.708 5.345 1.00 0.00 N ATOM 365 CA ALA A 26 6.786 -3.620 4.569 1.00 0.00 C ATOM 366 C ALA A 26 7.707 -2.763 5.430 1.00 0.00 C ATOM 367 O ALA A 26 7.497 -2.625 6.635 1.00 0.00 O ATOM 368 CB ALA A 26 5.688 -2.765 3.955 1.00 0.00 C ATOM 0 H ALA A 26 5.835 -4.427 6.253 1.00 0.00 H new ATOM 0 HA ALA A 26 7.383 -4.056 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.136 -1.956 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.072 -3.380 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.068 -2.345 4.747 1.00 0.00 H new ATOM 374 N SER A 27 8.730 -2.188 4.804 1.00 0.00 N ATOM 375 CA SER A 27 9.686 -1.348 5.515 1.00 0.00 C ATOM 376 C SER A 27 10.214 -0.240 4.609 1.00 0.00 C ATOM 377 O SER A 27 10.249 -0.385 3.387 1.00 0.00 O ATOM 378 CB SER A 27 10.850 -2.192 6.037 1.00 0.00 C ATOM 379 OG SER A 27 10.481 -2.900 7.208 1.00 0.00 O ATOM 0 H SER A 27 8.917 -2.289 3.806 1.00 0.00 H new ATOM 0 HA SER A 27 9.171 -0.890 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.167 -2.896 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.703 -1.548 6.251 1.00 0.00 H new ATOM 0 HG SER A 27 9.509 -2.858 7.323 1.00 0.00 H new ATOM 385 N GLY A 28 10.625 0.869 5.217 1.00 0.00 N ATOM 386 CA GLY A 28 11.145 1.986 4.451 1.00 0.00 C ATOM 387 C GLY A 28 10.694 3.325 5.000 1.00 0.00 C ATOM 388 O GLY A 28 10.078 3.410 6.062 1.00 0.00 O ATOM 0 H GLY A 28 10.607 1.013 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.234 1.946 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.821 1.894 3.414 1.00 0.00 H new ATOM 392 N PRO A 29 11.003 4.405 4.266 1.00 0.00 N ATOM 393 CA PRO A 29 10.636 5.766 4.666 1.00 0.00 C ATOM 394 C PRO A 29 9.134 6.012 4.572 1.00 0.00 C ATOM 395 O PRO A 29 8.564 6.745 5.379 1.00 0.00 O ATOM 396 CB PRO A 29 11.385 6.645 3.662 1.00 0.00 C ATOM 397 CG PRO A 29 11.572 5.779 2.465 1.00 0.00 C ATOM 398 CD PRO A 29 11.736 4.379 2.988 1.00 0.00 C ATOM 0 HA PRO A 29 10.893 5.969 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.814 7.541 3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.342 6.977 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.714 5.848 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.448 6.087 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.320 3.642 2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.786 4.124 3.132 1.00 0.00 H new ATOM 406 N GLY A 30 8.498 5.394 3.582 1.00 0.00 N ATOM 407 CA GLY A 30 7.067 5.559 3.401 1.00 0.00 C ATOM 408 C GLY A 30 6.283 5.221 4.653 1.00 0.00 C ATOM 409 O GLY A 30 5.201 5.764 4.883 1.00 0.00 O ATOM 0 H GLY A 30 8.948 4.782 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.857 6.588 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.731 4.922 2.583 1.00 0.00 H new ATOM 413 N LEU A 31 6.826 4.321 5.465 1.00 0.00 N ATOM 414 CA LEU A 31 6.169 3.909 6.701 1.00 0.00 C ATOM 415 C LEU A 31 6.996 4.311 7.918 1.00 0.00 C ATOM 416 O LEU A 31 6.904 3.689 8.976 1.00 0.00 O ATOM 417 CB LEU A 31 5.942 2.396 6.701 1.00 0.00 C ATOM 418 CG LEU A 31 5.290 1.815 5.446 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.659 0.348 5.283 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.779 1.984 5.502 1.00 0.00 C ATOM 0 H LEU A 31 7.720 3.862 5.290 1.00 0.00 H new ATOM 0 HA LEU A 31 5.205 4.415 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.904 1.905 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.321 2.142 7.560 1.00 0.00 H new ATOM 0 HG LEU A 31 5.664 2.361 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.186 -0.049 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.741 0.253 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.314 -0.213 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.332 1.565 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.387 1.465 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.534 3.044 5.569 1.00 0.00 H new ATOM 432 N SER A 32 7.802 5.356 7.760 1.00 0.00 N ATOM 433 CA SER A 32 8.647 5.840 8.845 1.00 0.00 C ATOM 434 C SER A 32 7.802 6.444 9.963 1.00 0.00 C ATOM 435 O SER A 32 7.168 7.483 9.784 1.00 0.00 O ATOM 436 CB SER A 32 9.640 6.880 8.322 1.00 0.00 C ATOM 437 OG SER A 32 10.366 7.472 9.385 1.00 0.00 O ATOM 0 H SER A 32 7.888 5.884 6.891 1.00 0.00 H new ATOM 0 HA SER A 32 9.200 4.992 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.331 6.408 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.105 7.652 7.769 1.00 0.00 H new ATOM 0 HG SER A 32 10.572 6.791 10.059 1.00 0.00 H new ATOM 443 N SER A 33 7.799 5.784 11.117 1.00 0.00 N ATOM 444 CA SER A 33 7.030 6.252 12.264 1.00 0.00 C ATOM 445 C SER A 33 7.480 7.647 12.686 1.00 0.00 C ATOM 446 O SER A 33 6.679 8.452 13.164 1.00 0.00 O ATOM 447 CB SER A 33 7.178 5.279 13.435 1.00 0.00 C ATOM 448 OG SER A 33 8.540 5.107 13.786 1.00 0.00 O ATOM 0 H SER A 33 8.321 4.923 11.282 1.00 0.00 H new ATOM 0 HA SER A 33 5.981 6.301 11.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.622 5.653 14.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.743 4.316 13.169 1.00 0.00 H new ATOM 0 HG SER A 33 8.608 4.482 14.538 1.00 0.00 H new ATOM 454 N TYR A 34 8.766 7.927 12.507 1.00 0.00 N ATOM 455 CA TYR A 34 9.324 9.224 12.871 1.00 0.00 C ATOM 456 C TYR A 34 8.683 10.342 12.055 1.00 0.00 C ATOM 457 O TYR A 34 8.597 11.483 12.505 1.00 0.00 O ATOM 458 CB TYR A 34 10.839 9.227 12.660 1.00 0.00 C ATOM 459 CG TYR A 34 11.517 7.953 13.111 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.537 7.591 14.452 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.137 7.111 12.195 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.156 6.427 14.868 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.756 5.945 12.602 1.00 0.00 C ATOM 464 CZ TYR A 34 12.763 5.608 13.940 1.00 0.00 C ATOM 465 OH TYR A 34 13.380 4.448 14.350 1.00 0.00 O ATOM 0 H TYR A 34 9.442 7.273 12.112 1.00 0.00 H new ATOM 0 HA TYR A 34 9.110 9.401 13.925 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.050 9.386 11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.271 10.069 13.201 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.061 8.229 15.182 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.135 7.373 11.147 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.164 6.161 15.915 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.232 5.301 11.877 1.00 0.00 H new ATOM 0 HH TYR A 34 13.757 3.986 13.573 1.00 0.00 H new ATOM 475 N GLY A 35 8.234 10.003 10.850 1.00 0.00 N ATOM 476 CA GLY A 35 7.606 10.988 9.989 1.00 0.00 C ATOM 477 C GLY A 35 8.145 10.948 8.573 1.00 0.00 C ATOM 478 O GLY A 35 9.240 10.441 8.332 1.00 0.00 O ATOM 0 H GLY A 35 8.294 9.064 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.530 10.816 9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.762 11.983 10.406 1.00 0.00 H new ATOM 482 N VAL A 36 7.373 11.483 7.632 1.00 0.00 N ATOM 483 CA VAL A 36 7.779 11.506 6.232 1.00 0.00 C ATOM 484 C VAL A 36 7.868 12.936 5.709 1.00 0.00 C ATOM 485 O VAL A 36 7.177 13.839 6.179 1.00 0.00 O ATOM 486 CB VAL A 36 6.799 10.710 5.350 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.787 9.243 5.755 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.402 11.306 5.435 1.00 0.00 C ATOM 0 H VAL A 36 6.463 11.906 7.814 1.00 0.00 H new ATOM 0 HA VAL A 36 8.763 11.041 6.181 1.00 0.00 H new ATOM 0 HB VAL A 36 7.134 10.774 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.089 8.696 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.787 8.825 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.476 9.156 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.722 10.731 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.055 11.274 6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.426 12.340 5.092 1.00 0.00 H new ATOM 498 N PRO A 37 8.741 13.148 4.713 1.00 0.00 N ATOM 499 CA PRO A 37 8.941 14.466 4.103 1.00 0.00 C ATOM 500 C PRO A 37 7.739 14.911 3.277 1.00 0.00 C ATOM 501 O PRO A 37 7.382 14.271 2.289 1.00 0.00 O ATOM 502 CB PRO A 37 10.161 14.258 3.203 1.00 0.00 C ATOM 503 CG PRO A 37 10.156 12.802 2.887 1.00 0.00 C ATOM 504 CD PRO A 37 9.598 12.117 4.104 1.00 0.00 C ATOM 0 HA PRO A 37 9.075 15.246 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.091 14.860 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.081 14.550 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.545 12.595 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.163 12.447 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.028 11.227 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.388 11.799 4.784 1.00 0.00 H new ATOM 512 N ALA A 38 7.119 16.012 3.689 1.00 0.00 N ATOM 513 CA ALA A 38 5.959 16.545 2.986 1.00 0.00 C ATOM 514 C ALA A 38 6.288 16.836 1.526 1.00 0.00 C ATOM 515 O ALA A 38 7.457 16.918 1.147 1.00 0.00 O ATOM 516 CB ALA A 38 5.455 17.803 3.676 1.00 0.00 C ATOM 0 H ALA A 38 7.401 16.552 4.507 1.00 0.00 H new ATOM 0 HA ALA A 38 5.172 15.791 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.588 18.190 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.171 17.567 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.244 18.556 3.682 1.00 0.00 H new ATOM 522 N SER A 39 5.251 16.989 0.709 1.00 0.00 N ATOM 523 CA SER A 39 5.431 17.266 -0.711 1.00 0.00 C ATOM 524 C SER A 39 6.653 16.535 -1.257 1.00 0.00 C ATOM 525 O SER A 39 7.439 17.099 -2.020 1.00 0.00 O ATOM 526 CB SER A 39 5.576 18.771 -0.944 1.00 0.00 C ATOM 527 OG SER A 39 4.315 19.418 -0.904 1.00 0.00 O ATOM 0 H SER A 39 4.277 16.926 1.006 1.00 0.00 H new ATOM 0 HA SER A 39 4.549 16.907 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.231 19.198 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.049 18.949 -1.910 1.00 0.00 H new ATOM 0 HG SER A 39 4.435 20.379 -1.054 1.00 0.00 H new ATOM 533 N LEU A 40 6.808 15.277 -0.860 1.00 0.00 N ATOM 534 CA LEU A 40 7.935 14.466 -1.309 1.00 0.00 C ATOM 535 C LEU A 40 7.482 13.055 -1.669 1.00 0.00 C ATOM 536 O LEU A 40 6.860 12.354 -0.870 1.00 0.00 O ATOM 537 CB LEU A 40 9.011 14.408 -0.223 1.00 0.00 C ATOM 538 CG LEU A 40 10.433 14.113 -0.702 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.521 12.709 -1.279 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.873 15.143 -1.732 1.00 0.00 C ATOM 0 H LEU A 40 6.168 14.796 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 40 8.353 14.931 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.017 15.361 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.727 13.644 0.501 1.00 0.00 H new ATOM 0 HG LEU A 40 11.105 14.175 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.540 12.517 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.248 11.983 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.838 12.619 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.887 14.918 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.198 15.113 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.849 16.137 -1.286 1.00 0.00 H new ATOM 552 N PRO A 41 7.802 12.626 -2.898 1.00 0.00 N ATOM 553 CA PRO A 41 7.440 11.293 -3.391 1.00 0.00 C ATOM 554 C PRO A 41 8.222 10.185 -2.694 1.00 0.00 C ATOM 555 O PRO A 41 9.372 9.912 -3.039 1.00 0.00 O ATOM 556 CB PRO A 41 7.805 11.353 -4.876 1.00 0.00 C ATOM 557 CG PRO A 41 8.867 12.393 -4.964 1.00 0.00 C ATOM 558 CD PRO A 41 8.542 13.408 -3.903 1.00 0.00 C ATOM 0 HA PRO A 41 6.391 11.060 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.165 10.389 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.941 11.617 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.853 11.959 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.882 12.853 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.444 13.852 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.940 14.225 -4.300 1.00 0.00 H new ATOM 566 N VAL A 42 7.592 9.550 -1.711 1.00 0.00 N ATOM 567 CA VAL A 42 8.229 8.470 -0.967 1.00 0.00 C ATOM 568 C VAL A 42 7.553 7.133 -1.251 1.00 0.00 C ATOM 569 O VAL A 42 6.339 7.069 -1.449 1.00 0.00 O ATOM 570 CB VAL A 42 8.195 8.738 0.549 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.759 8.813 1.047 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.971 7.664 1.297 1.00 0.00 C ATOM 0 H VAL A 42 6.641 9.765 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 42 9.267 8.426 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 42 8.671 9.699 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.756 9.003 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.238 9.621 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.254 7.869 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.937 7.869 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.525 6.689 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.008 7.664 0.961 1.00 0.00 H new ATOM 582 N ASP A 43 8.346 6.068 -1.269 1.00 0.00 N ATOM 583 CA ASP A 43 7.824 4.731 -1.528 1.00 0.00 C ATOM 584 C ASP A 43 8.491 3.702 -0.620 1.00 0.00 C ATOM 585 O ASP A 43 9.683 3.800 -0.324 1.00 0.00 O ATOM 586 CB ASP A 43 8.039 4.351 -2.994 1.00 0.00 C ATOM 587 CG ASP A 43 9.487 4.022 -3.300 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.377 4.544 -2.595 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.731 3.241 -4.244 1.00 0.00 O ATOM 0 H ASP A 43 9.352 6.104 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 43 6.755 4.738 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.415 3.492 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.714 5.173 -3.631 1.00 0.00 H new ATOM 594 N PHE A 44 7.715 2.718 -0.179 1.00 0.00 N ATOM 595 CA PHE A 44 8.230 1.672 0.697 1.00 0.00 C ATOM 596 C PHE A 44 8.392 0.358 -0.061 1.00 0.00 C ATOM 597 O PHE A 44 8.101 0.277 -1.254 1.00 0.00 O ATOM 598 CB PHE A 44 7.295 1.473 1.892 1.00 0.00 C ATOM 599 CG PHE A 44 5.844 1.399 1.512 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.270 0.191 1.149 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.054 2.537 1.518 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.935 0.121 0.798 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.718 2.473 1.168 1.00 0.00 C ATOM 604 CZ PHE A 44 3.158 1.263 0.809 1.00 0.00 C ATOM 0 H PHE A 44 6.727 2.623 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 44 9.210 1.985 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.573 0.556 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.437 2.294 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.872 -0.705 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.487 3.486 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.500 -0.826 0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.113 3.368 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.114 1.210 0.537 1.00 0.00 H new ATOM 614 N ALA A 45 8.861 -0.669 0.641 1.00 0.00 N ATOM 615 CA ALA A 45 9.061 -1.980 0.035 1.00 0.00 C ATOM 616 C ALA A 45 8.352 -3.068 0.834 1.00 0.00 C ATOM 617 O ALA A 45 8.463 -3.124 2.059 1.00 0.00 O ATOM 618 CB ALA A 45 10.547 -2.288 -0.077 1.00 0.00 C ATOM 0 H ALA A 45 9.109 -0.618 1.629 1.00 0.00 H new ATOM 0 HA ALA A 45 8.629 -1.961 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.682 -3.270 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.030 -1.532 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.995 -2.283 0.916 1.00 0.00 H new ATOM 624 N ILE A 46 7.622 -3.929 0.134 1.00 0.00 N ATOM 625 CA ILE A 46 6.895 -5.015 0.779 1.00 0.00 C ATOM 626 C ILE A 46 7.644 -6.337 0.641 1.00 0.00 C ATOM 627 O ILE A 46 7.752 -6.889 -0.455 1.00 0.00 O ATOM 628 CB ILE A 46 5.481 -5.175 0.189 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.709 -3.858 0.295 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.733 -6.292 0.901 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.447 -3.830 -0.539 1.00 0.00 C ATOM 0 H ILE A 46 7.518 -3.896 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 46 6.812 -4.756 1.834 1.00 0.00 H new ATOM 0 HB ILE A 46 5.571 -5.439 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.449 -3.681 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.358 -3.039 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.736 -6.393 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.276 -7.229 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.650 -6.056 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.951 -2.867 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.701 -3.975 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.778 -4.627 -0.214 1.00 0.00 H new ATOM 643 N ASP A 47 8.157 -6.839 1.758 1.00 0.00 N ATOM 644 CA ASP A 47 8.894 -8.098 1.762 1.00 0.00 C ATOM 645 C ASP A 47 8.000 -9.249 2.212 1.00 0.00 C ATOM 646 O ASP A 47 7.597 -9.318 3.373 1.00 0.00 O ATOM 647 CB ASP A 47 10.114 -7.996 2.678 1.00 0.00 C ATOM 648 CG ASP A 47 9.838 -7.175 3.923 1.00 0.00 C ATOM 649 OD1 ASP A 47 9.659 -5.946 3.796 1.00 0.00 O ATOM 650 OD2 ASP A 47 9.799 -7.763 5.024 1.00 0.00 O ATOM 0 H ASP A 47 8.077 -6.394 2.672 1.00 0.00 H new ATOM 0 HA ASP A 47 9.229 -8.298 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.430 -8.998 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.941 -7.548 2.127 1.00 0.00 H new ATOM 655 N ALA A 48 7.693 -10.150 1.285 1.00 0.00 N ATOM 656 CA ALA A 48 6.847 -11.299 1.587 1.00 0.00 C ATOM 657 C ALA A 48 7.622 -12.604 1.443 1.00 0.00 C ATOM 658 O ALA A 48 8.209 -12.876 0.395 1.00 0.00 O ATOM 659 CB ALA A 48 5.624 -11.306 0.681 1.00 0.00 C ATOM 0 H ALA A 48 8.017 -10.107 0.319 1.00 0.00 H new ATOM 0 HA ALA A 48 6.518 -11.215 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.001 -12.169 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.051 -10.392 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.943 -11.362 -0.360 1.00 0.00 H new ATOM 665 N ARG A 49 7.622 -13.407 2.502 1.00 0.00 N ATOM 666 CA ARG A 49 8.327 -14.683 2.493 1.00 0.00 C ATOM 667 C ARG A 49 7.384 -15.823 2.121 1.00 0.00 C ATOM 668 O ARG A 49 7.640 -16.570 1.176 1.00 0.00 O ATOM 669 CB ARG A 49 8.954 -14.953 3.863 1.00 0.00 C ATOM 670 CG ARG A 49 10.147 -14.063 4.172 1.00 0.00 C ATOM 671 CD ARG A 49 11.448 -14.693 3.701 1.00 0.00 C ATOM 672 NE ARG A 49 11.705 -14.427 2.289 1.00 0.00 N ATOM 673 CZ ARG A 49 12.781 -14.862 1.643 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.695 -15.582 2.280 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.945 -14.579 0.357 1.00 0.00 N ATOM 0 H ARG A 49 7.142 -13.197 3.377 1.00 0.00 H new ATOM 0 HA ARG A 49 9.116 -14.628 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.197 -14.812 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.267 -15.996 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.015 -13.095 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.198 -13.880 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.274 -14.308 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.410 -15.770 3.866 1.00 0.00 H new ATOM 0 HE ARG A 49 11.021 -13.877 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.572 -15.803 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.520 -15.915 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.244 -14.027 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.772 -14.914 -0.137 1.00 0.00 H new ATOM 689 N ASP A 50 6.293 -15.950 2.869 1.00 0.00 N ATOM 690 CA ASP A 50 5.311 -16.999 2.617 1.00 0.00 C ATOM 691 C ASP A 50 3.931 -16.400 2.361 1.00 0.00 C ATOM 692 O ASP A 50 2.912 -16.991 2.717 1.00 0.00 O ATOM 693 CB ASP A 50 5.250 -17.965 3.801 1.00 0.00 C ATOM 694 CG ASP A 50 6.222 -19.119 3.657 1.00 0.00 C ATOM 695 OD1 ASP A 50 5.891 -20.088 2.942 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.314 -19.053 4.259 1.00 0.00 O ATOM 0 H ASP A 50 6.066 -15.340 3.654 1.00 0.00 H new ATOM 0 HA ASP A 50 5.621 -17.547 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.469 -17.422 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.237 -18.356 3.895 1.00 0.00 H new ATOM 701 N ALA A 51 3.907 -15.225 1.741 1.00 0.00 N ATOM 702 CA ALA A 51 2.653 -14.547 1.436 1.00 0.00 C ATOM 703 C ALA A 51 1.978 -15.165 0.216 1.00 0.00 C ATOM 704 O ALA A 51 1.018 -14.613 -0.320 1.00 0.00 O ATOM 705 CB ALA A 51 2.897 -13.062 1.213 1.00 0.00 C ATOM 0 H ALA A 51 4.742 -14.723 1.440 1.00 0.00 H new ATOM 0 HA ALA A 51 1.985 -14.669 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.952 -12.568 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.328 -12.625 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.586 -12.928 0.379 1.00 0.00 H new ATOM 711 N GLY A 52 2.488 -16.313 -0.219 1.00 0.00 N ATOM 712 CA GLY A 52 1.922 -16.986 -1.374 1.00 0.00 C ATOM 713 C GLY A 52 1.641 -16.033 -2.519 1.00 0.00 C ATOM 714 O GLY A 52 2.401 -15.094 -2.753 1.00 0.00 O ATOM 0 H GLY A 52 3.283 -16.789 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.609 -17.762 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.997 -17.483 -1.084 1.00 0.00 H new ATOM 718 N GLU A 53 0.548 -16.278 -3.236 1.00 0.00 N ATOM 719 CA GLU A 53 0.172 -15.435 -4.365 1.00 0.00 C ATOM 720 C GLU A 53 -1.268 -14.950 -4.225 1.00 0.00 C ATOM 721 O GLU A 53 -2.213 -15.717 -4.402 1.00 0.00 O ATOM 722 CB GLU A 53 0.339 -16.201 -5.679 1.00 0.00 C ATOM 723 CG GLU A 53 1.741 -16.120 -6.257 1.00 0.00 C ATOM 724 CD GLU A 53 2.041 -17.250 -7.223 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.113 -18.413 -6.772 1.00 0.00 O ATOM 726 OE2 GLU A 53 2.203 -16.972 -8.429 1.00 0.00 O ATOM 0 H GLU A 53 -0.091 -17.052 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 53 0.830 -14.566 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.083 -17.248 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.369 -15.811 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.864 -15.166 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.467 -16.140 -5.444 1.00 0.00 H new ATOM 733 N GLY A 54 -1.426 -13.668 -3.906 1.00 0.00 N ATOM 734 CA GLY A 54 -2.753 -13.102 -3.747 1.00 0.00 C ATOM 735 C GLY A 54 -2.843 -11.682 -4.270 1.00 0.00 C ATOM 736 O GLY A 54 -1.829 -11.073 -4.613 1.00 0.00 O ATOM 0 H GLY A 54 -0.659 -13.012 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.476 -13.726 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.027 -13.116 -2.692 1.00 0.00 H new ATOM 740 N LEU A 55 -4.060 -11.153 -4.334 1.00 0.00 N ATOM 741 CA LEU A 55 -4.280 -9.796 -4.821 1.00 0.00 C ATOM 742 C LEU A 55 -3.853 -8.768 -3.778 1.00 0.00 C ATOM 743 O LEU A 55 -4.415 -8.708 -2.684 1.00 0.00 O ATOM 744 CB LEU A 55 -5.754 -9.594 -5.179 1.00 0.00 C ATOM 745 CG LEU A 55 -6.153 -8.182 -5.608 1.00 0.00 C ATOM 746 CD1 LEU A 55 -7.315 -8.230 -6.588 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.511 -7.337 -4.394 1.00 0.00 C ATOM 0 H LEU A 55 -4.910 -11.643 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.673 -9.654 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.009 -10.283 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.358 -9.874 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.302 -7.721 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.585 -7.216 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.023 -8.798 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.171 -8.710 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.792 -6.335 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.347 -7.795 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.651 -7.274 -3.728 1.00 0.00 H new ATOM 759 N LEU A 56 -2.858 -7.959 -4.126 1.00 0.00 N ATOM 760 CA LEU A 56 -2.357 -6.930 -3.221 1.00 0.00 C ATOM 761 C LEU A 56 -2.970 -5.572 -3.547 1.00 0.00 C ATOM 762 O LEU A 56 -3.172 -5.235 -4.713 1.00 0.00 O ATOM 763 CB LEU A 56 -0.832 -6.848 -3.306 1.00 0.00 C ATOM 764 CG LEU A 56 -0.184 -5.657 -2.598 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.395 -5.751 -1.095 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.301 -5.586 -2.927 1.00 0.00 C ATOM 0 H LEU A 56 -2.383 -7.996 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.644 -7.203 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.415 -7.764 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.548 -6.819 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.659 -4.743 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.073 -4.895 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.463 -5.754 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.054 -6.671 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.747 -4.733 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.791 -6.503 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.430 -5.471 -4.003 1.00 0.00 H new ATOM 778 N ALA A 57 -3.263 -4.796 -2.508 1.00 0.00 N ATOM 779 CA ALA A 57 -3.849 -3.473 -2.684 1.00 0.00 C ATOM 780 C ALA A 57 -3.607 -2.598 -1.459 1.00 0.00 C ATOM 781 O ALA A 57 -3.640 -3.077 -0.326 1.00 0.00 O ATOM 782 CB ALA A 57 -5.339 -3.590 -2.966 1.00 0.00 C ATOM 0 H ALA A 57 -3.104 -5.061 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.365 -2.998 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.764 -2.595 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.493 -4.171 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.830 -4.088 -2.130 1.00 0.00 H new ATOM 788 N VAL A 58 -3.363 -1.313 -1.694 1.00 0.00 N ATOM 789 CA VAL A 58 -3.115 -0.371 -0.610 1.00 0.00 C ATOM 790 C VAL A 58 -4.260 0.627 -0.477 1.00 0.00 C ATOM 791 O VAL A 58 -4.822 1.077 -1.475 1.00 0.00 O ATOM 792 CB VAL A 58 -1.799 0.400 -0.825 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.887 1.269 -2.071 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.469 1.241 0.399 1.00 0.00 C ATOM 0 H VAL A 58 -3.332 -0.900 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.038 -0.956 0.306 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.995 -0.321 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.948 1.806 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.074 0.640 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.702 1.985 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.536 1.779 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.273 1.955 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.361 0.592 1.268 1.00 0.00 H new ATOM 804 N GLN A 59 -4.600 0.968 0.762 1.00 0.00 N ATOM 805 CA GLN A 59 -5.678 1.913 1.025 1.00 0.00 C ATOM 806 C GLN A 59 -5.179 3.092 1.854 1.00 0.00 C ATOM 807 O GLN A 59 -5.001 2.979 3.067 1.00 0.00 O ATOM 808 CB GLN A 59 -6.830 1.216 1.751 1.00 0.00 C ATOM 809 CG GLN A 59 -8.019 2.125 2.021 1.00 0.00 C ATOM 810 CD GLN A 59 -9.103 1.442 2.831 1.00 0.00 C ATOM 811 OE1 GLN A 59 -10.099 0.969 2.283 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.915 1.388 4.145 1.00 0.00 N ATOM 0 H GLN A 59 -4.144 0.604 1.599 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.037 2.291 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.162 0.365 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.464 0.819 2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.679 3.014 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.437 2.462 1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.074 1.793 4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.611 0.941 4.742 1.00 0.00 H new ATOM 821 N ILE A 60 -4.955 4.222 1.192 1.00 0.00 N ATOM 822 CA ILE A 60 -4.477 5.422 1.868 1.00 0.00 C ATOM 823 C ILE A 60 -5.603 6.433 2.054 1.00 0.00 C ATOM 824 O ILE A 60 -6.389 6.680 1.139 1.00 0.00 O ATOM 825 CB ILE A 60 -3.327 6.087 1.089 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.193 5.087 0.858 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.819 7.310 1.837 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.145 5.576 -0.117 1.00 0.00 C ATOM 0 H ILE A 60 -5.097 4.332 0.188 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.109 5.109 2.845 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.704 6.410 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.715 4.866 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.614 4.152 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.006 7.769 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.631 8.028 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.455 7.010 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.372 4.816 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.610 5.770 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.697 6.495 0.261 1.00 0.00 H new ATOM 840 N THR A 61 -5.674 7.020 3.245 1.00 0.00 N ATOM 841 CA THR A 61 -6.702 8.006 3.551 1.00 0.00 C ATOM 842 C THR A 61 -6.146 9.129 4.419 1.00 0.00 C ATOM 843 O THR A 61 -5.058 9.010 4.983 1.00 0.00 O ATOM 844 CB THR A 61 -7.901 7.361 4.273 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.443 6.347 5.174 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.873 6.755 3.272 1.00 0.00 C ATOM 0 H THR A 61 -5.031 6.829 4.013 1.00 0.00 H new ATOM 0 HA THR A 61 -7.038 8.418 2.599 1.00 0.00 H new ATOM 0 HB THR A 61 -8.419 8.138 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.211 5.943 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.711 6.306 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.243 7.535 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.363 5.990 2.687 1.00 0.00 H new ATOM 854 N ASP A 62 -6.898 10.219 4.521 1.00 0.00 N ATOM 855 CA ASP A 62 -6.480 11.364 5.321 1.00 0.00 C ATOM 856 C ASP A 62 -7.099 11.308 6.714 1.00 0.00 C ATOM 857 O ASP A 62 -7.917 10.436 7.005 1.00 0.00 O ATOM 858 CB ASP A 62 -6.873 12.669 4.627 1.00 0.00 C ATOM 859 CG ASP A 62 -6.210 13.880 5.253 1.00 0.00 C ATOM 860 OD1 ASP A 62 -5.005 13.798 5.569 1.00 0.00 O ATOM 861 OD2 ASP A 62 -6.895 14.910 5.427 1.00 0.00 O ATOM 0 H ASP A 62 -7.800 10.334 4.060 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.395 11.328 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.600 12.613 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.956 12.788 4.670 1.00 0.00 H new ATOM 866 N GLN A 63 -6.702 12.243 7.571 1.00 0.00 N ATOM 867 CA GLN A 63 -7.216 12.298 8.934 1.00 0.00 C ATOM 868 C GLN A 63 -8.736 12.174 8.948 1.00 0.00 C ATOM 869 O GLN A 63 -9.304 11.490 9.799 1.00 0.00 O ATOM 870 CB GLN A 63 -6.793 13.604 9.609 1.00 0.00 C ATOM 871 CG GLN A 63 -7.424 14.841 8.991 1.00 0.00 C ATOM 872 CD GLN A 63 -6.770 16.126 9.458 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.846 16.483 10.634 1.00 0.00 O ATOM 874 NE2 GLN A 63 -6.121 16.828 8.537 1.00 0.00 N ATOM 0 H GLN A 63 -6.026 12.973 7.345 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.796 11.458 9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.059 13.560 10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.708 13.695 9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.354 14.776 7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.485 14.866 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.084 16.494 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.660 17.701 8.792 1.00 0.00 H new ATOM 883 N GLU A 64 -9.388 12.839 7.999 1.00 0.00 N ATOM 884 CA GLU A 64 -10.843 12.803 7.904 1.00 0.00 C ATOM 885 C GLU A 64 -11.308 11.556 7.159 1.00 0.00 C ATOM 886 O GLU A 64 -12.426 11.082 7.358 1.00 0.00 O ATOM 887 CB GLU A 64 -11.360 14.057 7.196 1.00 0.00 C ATOM 888 CG GLU A 64 -12.860 14.043 6.953 1.00 0.00 C ATOM 889 CD GLU A 64 -13.653 14.470 8.173 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.178 15.363 8.905 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.747 13.911 8.395 1.00 0.00 O ATOM 0 H GLU A 64 -8.932 13.408 7.286 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.248 12.773 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.105 14.933 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.846 14.163 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.096 14.706 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.167 13.040 6.658 1.00 0.00 H new ATOM 898 N GLY A 65 -10.442 11.029 6.299 1.00 0.00 N ATOM 899 CA GLY A 65 -10.782 9.842 5.536 1.00 0.00 C ATOM 900 C GLY A 65 -10.996 10.140 4.065 1.00 0.00 C ATOM 901 O GLY A 65 -11.896 9.584 3.436 1.00 0.00 O ATOM 0 H GLY A 65 -9.511 11.403 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.986 9.105 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.687 9.395 5.948 1.00 0.00 H new ATOM 905 N LYS A 66 -10.167 11.020 3.515 1.00 0.00 N ATOM 906 CA LYS A 66 -10.268 11.392 2.109 1.00 0.00 C ATOM 907 C LYS A 66 -9.474 10.429 1.233 1.00 0.00 C ATOM 908 O LYS A 66 -8.488 9.830 1.663 1.00 0.00 O ATOM 909 CB LYS A 66 -9.764 12.822 1.901 1.00 0.00 C ATOM 910 CG LYS A 66 -10.597 13.871 2.616 1.00 0.00 C ATOM 911 CD LYS A 66 -10.531 15.214 1.907 1.00 0.00 C ATOM 912 CE LYS A 66 -10.853 16.360 2.853 1.00 0.00 C ATOM 913 NZ LYS A 66 -9.716 16.660 3.767 1.00 0.00 N ATOM 0 H LYS A 66 -9.417 11.489 4.022 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.317 11.338 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.733 12.889 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.755 13.043 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.633 13.538 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.243 13.982 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.535 15.356 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.233 15.221 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.099 17.251 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.735 16.108 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.905 17.547 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.607 15.884 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.842 16.759 3.213 1.00 0.00 H new ATOM 927 N PRO A 67 -9.910 10.276 -0.026 1.00 0.00 N ATOM 928 CA PRO A 67 -9.252 9.388 -0.990 1.00 0.00 C ATOM 929 C PRO A 67 -7.887 9.912 -1.422 1.00 0.00 C ATOM 930 O PRO A 67 -7.751 11.069 -1.821 1.00 0.00 O ATOM 931 CB PRO A 67 -10.219 9.374 -2.176 1.00 0.00 C ATOM 932 CG PRO A 67 -10.961 10.662 -2.076 1.00 0.00 C ATOM 933 CD PRO A 67 -11.078 10.959 -0.607 1.00 0.00 C ATOM 0 HA PRO A 67 -9.058 8.401 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.683 9.298 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.897 8.522 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.429 11.460 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.945 10.582 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.055 12.031 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.012 10.579 -0.194 1.00 0.00 H new ATOM 941 N LYS A 68 -6.876 9.053 -1.340 1.00 0.00 N ATOM 942 CA LYS A 68 -5.520 9.427 -1.725 1.00 0.00 C ATOM 943 C LYS A 68 -5.058 8.626 -2.938 1.00 0.00 C ATOM 944 O LYS A 68 -5.448 7.472 -3.117 1.00 0.00 O ATOM 945 CB LYS A 68 -4.557 9.205 -0.556 1.00 0.00 C ATOM 946 CG LYS A 68 -4.427 10.408 0.362 1.00 0.00 C ATOM 947 CD LYS A 68 -3.526 11.473 -0.239 1.00 0.00 C ATOM 948 CE LYS A 68 -3.851 12.854 0.310 1.00 0.00 C ATOM 949 NZ LYS A 68 -2.809 13.854 -0.051 1.00 0.00 N ATOM 0 H LYS A 68 -6.970 8.092 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.523 10.484 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.897 8.349 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.573 8.951 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.414 10.830 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.025 10.091 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.484 11.232 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.638 11.476 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.817 13.180 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.943 12.801 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.720 14.554 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.897 13.372 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.080 14.335 -0.932 1.00 0.00 H new ATOM 963 N ARG A 69 -4.224 9.245 -3.767 1.00 0.00 N ATOM 964 CA ARG A 69 -3.708 8.589 -4.963 1.00 0.00 C ATOM 965 C ARG A 69 -2.492 7.729 -4.630 1.00 0.00 C ATOM 966 O ARG A 69 -1.426 8.247 -4.299 1.00 0.00 O ATOM 967 CB ARG A 69 -3.337 9.629 -6.021 1.00 0.00 C ATOM 968 CG ARG A 69 -3.333 9.081 -7.439 1.00 0.00 C ATOM 969 CD ARG A 69 -3.380 10.200 -8.468 1.00 0.00 C ATOM 970 NE ARG A 69 -4.653 10.914 -8.443 1.00 0.00 N ATOM 971 CZ ARG A 69 -5.140 11.585 -9.481 1.00 0.00 C ATOM 972 NH1 ARG A 69 -4.463 11.634 -10.620 1.00 0.00 N ATOM 973 NH2 ARG A 69 -6.306 12.210 -9.381 1.00 0.00 N ATOM 0 H ARG A 69 -3.891 10.200 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.491 7.942 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.040 10.460 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.350 10.031 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.438 8.479 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.189 8.421 -7.578 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.567 10.901 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.217 9.785 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.198 10.897 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.566 11.156 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.839 12.150 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.830 12.176 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.679 12.725 -10.179 1.00 0.00 H new ATOM 987 N ALA A 70 -2.662 6.414 -4.719 1.00 0.00 N ATOM 988 CA ALA A 70 -1.578 5.483 -4.429 1.00 0.00 C ATOM 989 C ALA A 70 -1.116 4.767 -5.694 1.00 0.00 C ATOM 990 O ALA A 70 -1.922 4.177 -6.413 1.00 0.00 O ATOM 991 CB ALA A 70 -2.017 4.473 -3.379 1.00 0.00 C ATOM 0 H ALA A 70 -3.539 5.969 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.736 6.054 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.198 3.784 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.291 4.996 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.877 3.914 -3.749 1.00 0.00 H new ATOM 997 N ILE A 71 0.185 4.825 -5.958 1.00 0.00 N ATOM 998 CA ILE A 71 0.753 4.182 -7.136 1.00 0.00 C ATOM 999 C ILE A 71 1.172 2.748 -6.831 1.00 0.00 C ATOM 1000 O ILE A 71 1.624 2.443 -5.727 1.00 0.00 O ATOM 1001 CB ILE A 71 1.971 4.958 -7.670 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.563 6.378 -8.070 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.591 4.226 -8.850 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.700 7.374 -8.007 1.00 0.00 C ATOM 0 H ILE A 71 0.865 5.310 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.026 4.177 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 71 2.717 5.024 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.162 6.360 -9.083 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.759 6.714 -7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.451 4.788 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.913 3.234 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.854 4.131 -9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.338 8.359 -8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.087 7.421 -6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.496 7.061 -8.683 1.00 0.00 H new ATOM 1016 N VAL A 72 1.022 1.870 -7.818 1.00 0.00 N ATOM 1017 CA VAL A 72 1.387 0.468 -7.657 1.00 0.00 C ATOM 1018 C VAL A 72 2.561 0.099 -8.557 1.00 0.00 C ATOM 1019 O VAL A 72 2.517 0.309 -9.770 1.00 0.00 O ATOM 1020 CB VAL A 72 0.200 -0.462 -7.972 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.246 -0.288 -9.415 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.569 -1.910 -7.689 1.00 0.00 C ATOM 0 H VAL A 72 0.650 2.106 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 72 1.676 0.334 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.634 -0.191 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.085 -0.953 -9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.553 0.745 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.580 -0.531 -10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.281 -2.553 -7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.418 -2.197 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.835 -2.019 -6.638 1.00 0.00 H new ATOM 1032 N HIS A 73 3.610 -0.454 -7.957 1.00 0.00 N ATOM 1033 CA HIS A 73 4.796 -0.854 -8.705 1.00 0.00 C ATOM 1034 C HIS A 73 4.926 -2.373 -8.745 1.00 0.00 C ATOM 1035 O HIS A 73 4.697 -3.053 -7.745 1.00 0.00 O ATOM 1036 CB HIS A 73 6.050 -0.239 -8.081 1.00 0.00 C ATOM 1037 CG HIS A 73 7.237 -0.243 -8.995 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.911 -1.393 -9.348 1.00 0.00 N ATOM 1039 CD2 HIS A 73 7.867 0.772 -9.631 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.907 -1.084 -10.159 1.00 0.00 C ATOM 1041 NE2 HIS A 73 8.902 0.223 -10.348 1.00 0.00 N ATOM 0 H HIS A 73 3.663 -0.635 -6.955 1.00 0.00 H new ATOM 0 HA HIS A 73 4.691 -0.489 -9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.833 0.787 -7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.300 -0.787 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.605 1.819 -9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.607 -1.782 -10.594 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.560 0.740 -10.931 1.00 0.00 H new ATOM 1049 N ASP A 74 5.295 -2.900 -9.908 1.00 0.00 N ATOM 1050 CA ASP A 74 5.456 -4.339 -10.079 1.00 0.00 C ATOM 1051 C ASP A 74 6.909 -4.692 -10.377 1.00 0.00 C ATOM 1052 O ASP A 74 7.460 -4.285 -11.399 1.00 0.00 O ATOM 1053 CB ASP A 74 4.554 -4.845 -11.206 1.00 0.00 C ATOM 1054 CG ASP A 74 3.081 -4.693 -10.881 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.718 -4.826 -9.693 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.291 -4.440 -11.814 1.00 0.00 O ATOM 0 H ASP A 74 5.488 -2.352 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 74 5.167 -4.825 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.779 -4.298 -12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.774 -5.895 -11.400 1.00 0.00 H new ATOM 1061 N ASN A 75 7.525 -5.452 -9.477 1.00 0.00 N ATOM 1062 CA ASN A 75 8.916 -5.858 -9.643 1.00 0.00 C ATOM 1063 C ASN A 75 9.007 -7.306 -10.115 1.00 0.00 C ATOM 1064 O ASN A 75 9.949 -7.686 -10.810 1.00 0.00 O ATOM 1065 CB ASN A 75 9.679 -5.690 -8.327 1.00 0.00 C ATOM 1066 CG ASN A 75 9.486 -4.314 -7.718 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.771 -3.298 -8.352 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.999 -4.277 -6.483 1.00 0.00 N ATOM 0 H ASN A 75 7.083 -5.799 -8.626 1.00 0.00 H new ATOM 0 HA ASN A 75 9.367 -5.218 -10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.346 -6.448 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.741 -5.861 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.847 -3.380 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.777 -5.145 -5.996 1.00 0.00 H new ATOM 1075 N LYS A 76 8.021 -8.110 -9.733 1.00 0.00 N ATOM 1076 CA LYS A 76 7.987 -9.516 -10.118 1.00 0.00 C ATOM 1077 C LYS A 76 9.222 -10.250 -9.607 1.00 0.00 C ATOM 1078 O LYS A 76 9.681 -11.214 -10.220 1.00 0.00 O ATOM 1079 CB LYS A 76 7.895 -9.647 -11.640 1.00 0.00 C ATOM 1080 CG LYS A 76 6.533 -9.279 -12.201 1.00 0.00 C ATOM 1081 CD LYS A 76 6.450 -7.800 -12.538 1.00 0.00 C ATOM 1082 CE LYS A 76 7.077 -7.500 -13.891 1.00 0.00 C ATOM 1083 NZ LYS A 76 6.740 -6.130 -14.367 1.00 0.00 N ATOM 0 H LYS A 76 7.234 -7.812 -9.157 1.00 0.00 H new ATOM 0 HA LYS A 76 7.105 -9.969 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.651 -9.009 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.130 -10.673 -11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.336 -9.869 -13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.759 -9.532 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.407 -7.485 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.955 -7.221 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.160 -7.604 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.733 -8.233 -14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.186 -5.964 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.708 -6.038 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.090 -5.429 -13.683 1.00 0.00 H new ATOM 1097 N ASP A 77 9.756 -9.789 -8.481 1.00 0.00 N ATOM 1098 CA ASP A 77 10.937 -10.403 -7.887 1.00 0.00 C ATOM 1099 C ASP A 77 10.677 -10.785 -6.433 1.00 0.00 C ATOM 1100 O ASP A 77 11.589 -10.778 -5.606 1.00 0.00 O ATOM 1101 CB ASP A 77 12.131 -9.451 -7.972 1.00 0.00 C ATOM 1102 CG ASP A 77 12.753 -9.425 -9.354 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.846 -10.499 -9.984 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.147 -8.329 -9.806 1.00 0.00 O ATOM 0 H ASP A 77 9.389 -8.992 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 77 11.166 -11.310 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.810 -8.445 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.884 -9.751 -7.243 1.00 0.00 H new ATOM 1109 N GLY A 78 9.426 -11.117 -6.127 1.00 0.00 N ATOM 1110 CA GLY A 78 9.069 -11.495 -4.773 1.00 0.00 C ATOM 1111 C GLY A 78 8.934 -10.298 -3.852 1.00 0.00 C ATOM 1112 O GLY A 78 9.128 -10.411 -2.642 1.00 0.00 O ATOM 0 H GLY A 78 8.654 -11.131 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.128 -12.045 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.827 -12.171 -4.376 1.00 0.00 H new ATOM 1116 N THR A 79 8.603 -9.146 -4.427 1.00 0.00 N ATOM 1117 CA THR A 79 8.445 -7.922 -3.651 1.00 0.00 C ATOM 1118 C THR A 79 7.468 -6.966 -4.325 1.00 0.00 C ATOM 1119 O THR A 79 7.016 -7.211 -5.444 1.00 0.00 O ATOM 1120 CB THR A 79 9.794 -7.205 -3.454 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.466 -7.071 -4.711 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.677 -7.970 -2.480 1.00 0.00 C ATOM 0 H THR A 79 8.439 -9.035 -5.428 1.00 0.00 H new ATOM 0 HA THR A 79 8.050 -8.213 -2.677 1.00 0.00 H new ATOM 0 HB THR A 79 9.597 -6.216 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.322 -6.613 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.624 -7.444 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.175 -8.044 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.866 -8.971 -2.869 1.00 0.00 H new ATOM 1130 N TYR A 80 7.145 -5.876 -3.638 1.00 0.00 N ATOM 1131 CA TYR A 80 6.219 -4.883 -4.170 1.00 0.00 C ATOM 1132 C TYR A 80 6.541 -3.494 -3.629 1.00 0.00 C ATOM 1133 O TYR A 80 6.865 -3.332 -2.453 1.00 0.00 O ATOM 1134 CB TYR A 80 4.779 -5.259 -3.817 1.00 0.00 C ATOM 1135 CG TYR A 80 4.352 -6.602 -4.365 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.922 -6.733 -5.680 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.377 -7.739 -3.567 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.530 -7.958 -6.184 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.989 -8.968 -4.064 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.566 -9.073 -5.373 1.00 0.00 C ATOM 1141 OH TYR A 80 3.177 -10.295 -5.871 1.00 0.00 O ATOM 0 H TYR A 80 7.511 -5.658 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 80 6.328 -4.865 -5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.670 -5.267 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.108 -4.490 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.894 -5.862 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.705 -7.661 -2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.197 -8.042 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.017 -9.843 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 80 3.263 -10.976 -5.171 1.00 0.00 H new ATOM 1151 N ALA A 81 6.449 -2.492 -4.498 1.00 0.00 N ATOM 1152 CA ALA A 81 6.728 -1.115 -4.109 1.00 0.00 C ATOM 1153 C ALA A 81 5.504 -0.229 -4.315 1.00 0.00 C ATOM 1154 O ALA A 81 4.724 -0.435 -5.244 1.00 0.00 O ATOM 1155 CB ALA A 81 7.912 -0.574 -4.896 1.00 0.00 C ATOM 0 H ALA A 81 6.183 -2.608 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 81 6.977 -1.106 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.109 0.455 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.792 -1.185 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.685 -0.603 -5.962 1.00 0.00 H new ATOM 1161 N VAL A 82 5.341 0.759 -3.440 1.00 0.00 N ATOM 1162 CA VAL A 82 4.212 1.678 -3.526 1.00 0.00 C ATOM 1163 C VAL A 82 4.662 3.121 -3.328 1.00 0.00 C ATOM 1164 O VAL A 82 5.276 3.459 -2.315 1.00 0.00 O ATOM 1165 CB VAL A 82 3.133 1.340 -2.481 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.998 2.351 -2.539 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.610 -0.073 -2.694 1.00 0.00 C ATOM 0 H VAL A 82 5.977 0.943 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 82 3.788 1.567 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 82 3.583 1.391 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.245 2.096 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.388 3.348 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.547 2.335 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.848 -0.295 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.176 -0.154 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.431 -0.783 -2.598 1.00 0.00 H new ATOM 1177 N THR A 83 4.352 3.971 -4.302 1.00 0.00 N ATOM 1178 CA THR A 83 4.724 5.379 -4.235 1.00 0.00 C ATOM 1179 C THR A 83 3.522 6.250 -3.889 1.00 0.00 C ATOM 1180 O THR A 83 2.421 6.037 -4.399 1.00 0.00 O ATOM 1181 CB THR A 83 5.328 5.864 -5.567 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.463 5.061 -5.911 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.744 7.324 -5.472 1.00 0.00 C ATOM 0 H THR A 83 3.844 3.709 -5.147 1.00 0.00 H new ATOM 0 HA THR A 83 5.474 5.471 -3.449 1.00 0.00 H new ATOM 0 HB THR A 83 4.567 5.769 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.840 5.374 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.168 7.644 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.873 7.936 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.490 7.439 -4.686 1.00 0.00 H new ATOM 1191 N TYR A 84 3.739 7.231 -3.020 1.00 0.00 N ATOM 1192 CA TYR A 84 2.672 8.133 -2.604 1.00 0.00 C ATOM 1193 C TYR A 84 3.231 9.503 -2.233 1.00 0.00 C ATOM 1194 O TYR A 84 4.290 9.607 -1.613 1.00 0.00 O ATOM 1195 CB TYR A 84 1.909 7.542 -1.417 1.00 0.00 C ATOM 1196 CG TYR A 84 2.492 7.921 -0.074 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.141 9.114 0.546 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.394 7.087 0.574 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.671 9.464 1.773 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.929 7.429 1.801 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.564 8.618 2.396 1.00 0.00 C ATOM 1202 OH TYR A 84 4.095 8.963 3.618 1.00 0.00 O ATOM 0 H TYR A 84 4.644 7.422 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 84 1.987 8.255 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.872 7.874 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.900 6.456 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.442 9.779 0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.682 6.155 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.387 10.395 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.629 6.769 2.291 1.00 0.00 H new ATOM 0 HH TYR A 84 3.996 8.213 4.241 1.00 0.00 H new ATOM 1212 N ILE A 85 2.511 10.552 -2.616 1.00 0.00 N ATOM 1213 CA ILE A 85 2.933 11.916 -2.323 1.00 0.00 C ATOM 1214 C ILE A 85 1.955 12.602 -1.375 1.00 0.00 C ATOM 1215 O ILE A 85 0.843 12.973 -1.752 1.00 0.00 O ATOM 1216 CB ILE A 85 3.059 12.755 -3.608 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.122 12.156 -4.532 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.398 14.198 -3.267 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.993 12.604 -5.971 1.00 0.00 C ATOM 0 H ILE A 85 1.633 10.483 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 85 3.911 11.848 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 85 2.102 12.741 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.110 12.430 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.057 11.069 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.484 14.778 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.609 14.619 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.344 14.232 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.778 12.141 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.019 12.306 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.089 13.688 -6.024 1.00 0.00 H new ATOM 1231 N PRO A 86 2.378 12.778 -0.114 1.00 0.00 N ATOM 1232 CA PRO A 86 1.556 13.423 0.914 1.00 0.00 C ATOM 1233 C PRO A 86 1.378 14.916 0.661 1.00 0.00 C ATOM 1234 O PRO A 86 2.311 15.700 0.839 1.00 0.00 O ATOM 1235 CB PRO A 86 2.349 13.189 2.201 1.00 0.00 C ATOM 1236 CG PRO A 86 3.760 13.024 1.752 1.00 0.00 C ATOM 1237 CD PRO A 86 3.691 12.360 0.405 1.00 0.00 C ATOM 0 HA PRO A 86 0.545 13.017 0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.248 14.030 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.995 12.303 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.264 13.988 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.326 12.416 2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.503 12.686 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.764 11.276 0.487 1.00 0.00 H new ATOM 1245 N ASP A 87 0.177 15.303 0.247 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.123 16.703 -0.028 1.00 0.00 C ATOM 1247 C ASP A 87 -0.480 17.445 1.257 1.00 0.00 C ATOM 1248 O ASP A 87 0.185 18.411 1.634 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.272 16.814 -1.031 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.804 18.228 -1.149 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.986 19.172 -1.138 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -3.038 18.392 -1.252 1.00 0.00 O ATOM 0 H ASP A 87 -0.605 14.666 0.094 1.00 0.00 H new ATOM 0 HA ASP A 87 0.768 17.162 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.930 16.475 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.081 16.149 -0.728 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.534 16.989 1.924 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.980 17.608 3.167 1.00 0.00 C ATOM 1259 C LYS A 88 -1.125 17.146 4.342 1.00 0.00 C ATOM 1260 O LYS A 88 -0.550 16.057 4.316 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.450 17.273 3.428 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.386 17.739 2.327 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.751 19.205 2.489 1.00 0.00 C ATOM 1264 CE LYS A 88 -3.771 20.109 1.758 1.00 0.00 C ATOM 1265 NZ LYS A 88 -4.397 21.399 1.358 1.00 0.00 N ATOM 0 H LYS A 88 -2.096 16.192 1.625 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.873 18.688 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.552 16.194 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.756 17.728 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.913 17.586 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.293 17.134 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.758 19.374 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.764 19.463 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.912 20.306 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.397 19.597 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.696 21.986 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.202 21.213 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.731 21.900 2.206 1.00 0.00 H new ATOM 1279 N THR A 89 -1.047 17.980 5.375 1.00 0.00 N ATOM 1280 CA THR A 89 -0.263 17.657 6.560 1.00 0.00 C ATOM 1281 C THR A 89 -1.162 17.225 7.713 1.00 0.00 C ATOM 1282 O THR A 89 -2.259 17.751 7.888 1.00 0.00 O ATOM 1283 CB THR A 89 0.592 18.856 7.012 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.254 19.959 7.357 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.559 19.276 5.916 1.00 0.00 C ATOM 0 H THR A 89 -1.518 18.884 5.414 1.00 0.00 H new ATOM 0 HA THR A 89 0.396 16.832 6.288 1.00 0.00 H new ATOM 0 HB THR A 89 1.168 18.553 7.886 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.297 20.716 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.151 20.124 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.221 18.444 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.998 19.561 5.026 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.688 16.262 8.498 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.462 15.776 9.625 1.00 0.00 C ATOM 1295 C GLY A 90 -1.235 14.301 9.891 1.00 0.00 C ATOM 1296 O GLY A 90 -0.094 13.852 10.008 1.00 0.00 O ATOM 0 H GLY A 90 0.218 15.810 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.200 16.347 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.521 15.949 9.436 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.323 13.544 9.990 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.238 12.112 10.247 1.00 0.00 C ATOM 1302 C ARG A 91 -2.748 11.313 9.051 1.00 0.00 C ATOM 1303 O ARG A 91 -3.813 11.604 8.507 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.041 11.748 11.497 1.00 0.00 C ATOM 1305 CG ARG A 91 -2.602 12.500 12.743 1.00 0.00 C ATOM 1306 CD ARG A 91 -3.323 13.833 12.871 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.733 13.662 13.210 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.177 13.508 14.453 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -4.325 13.504 15.469 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -6.476 13.359 14.681 1.00 0.00 N ATOM 0 H ARG A 91 -3.274 13.899 9.896 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.190 11.860 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.096 11.951 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.950 10.677 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.800 11.892 13.625 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.526 12.669 12.707 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.836 14.436 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.240 14.382 11.933 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.414 13.661 12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.326 13.619 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.668 13.386 16.422 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.134 13.363 13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.816 13.241 15.635 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.981 10.307 8.648 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.353 9.468 7.515 1.00 0.00 C ATOM 1326 C TYR A 92 -2.568 8.023 7.954 1.00 0.00 C ATOM 1327 O TYR A 92 -1.736 7.444 8.651 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.274 9.529 6.432 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.363 10.758 5.557 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.554 11.104 4.929 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.256 11.574 5.356 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.639 12.226 4.128 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.333 12.699 4.558 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.526 13.021 3.946 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.606 14.139 3.149 1.00 0.00 O ATOM 0 H TYR A 92 -1.097 10.052 9.089 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.290 9.848 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.293 9.501 6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.350 8.641 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.428 10.485 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.681 11.324 5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.572 12.480 3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.537 13.323 4.414 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.871 14.749 3.367 1.00 0.00 H new ATOM 1345 N MET A 93 -3.692 7.447 7.540 1.00 0.00 N ATOM 1346 CA MET A 93 -4.018 6.069 7.889 1.00 0.00 C ATOM 1347 C MET A 93 -3.993 5.175 6.653 1.00 0.00 C ATOM 1348 O MET A 93 -4.752 5.389 5.707 1.00 0.00 O ATOM 1349 CB MET A 93 -5.393 6.000 8.556 1.00 0.00 C ATOM 1350 CG MET A 93 -5.600 4.748 9.393 1.00 0.00 C ATOM 1351 SD MET A 93 -5.091 4.968 11.109 1.00 0.00 S ATOM 1352 CE MET A 93 -3.395 4.398 11.036 1.00 0.00 C ATOM 0 H MET A 93 -4.392 7.913 6.963 1.00 0.00 H new ATOM 0 HA MET A 93 -3.265 5.710 8.590 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.525 6.877 9.190 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.164 6.044 7.787 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.652 4.466 9.364 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.037 3.925 8.954 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.253 3.585 11.748 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.174 4.042 10.030 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.724 5.220 11.286 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.119 4.175 6.668 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.998 3.250 5.549 1.00 0.00 C ATOM 1364 C ILE A 94 -3.328 1.824 5.976 1.00 0.00 C ATOM 1365 O ILE A 94 -3.068 1.429 7.112 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.581 3.278 4.946 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -1.158 4.718 4.649 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.526 2.432 3.683 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.317 4.864 4.347 1.00 0.00 C ATOM 0 H ILE A 94 -2.484 3.985 7.443 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.713 3.575 4.793 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.885 2.857 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.733 5.089 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.410 5.346 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.518 2.462 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.789 1.402 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.231 2.825 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.545 5.911 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.899 4.523 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.571 4.263 3.474 1.00 0.00 H new ATOM 1381 N GLY A 95 -3.903 1.054 5.057 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.258 -0.321 5.357 1.00 0.00 C ATOM 1383 C GLY A 95 -3.895 -1.272 4.234 1.00 0.00 C ATOM 1384 O GLY A 95 -4.589 -1.339 3.219 1.00 0.00 O ATOM 0 H GLY A 95 -4.129 1.358 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.752 -0.633 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.329 -0.383 5.549 1.00 0.00 H new ATOM 1388 N VAL A 96 -2.804 -2.008 4.413 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.349 -2.960 3.406 1.00 0.00 C ATOM 1390 C VAL A 96 -3.096 -4.284 3.525 1.00 0.00 C ATOM 1391 O VAL A 96 -2.933 -5.016 4.501 1.00 0.00 O ATOM 1392 CB VAL A 96 -0.837 -3.223 3.525 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.393 -4.261 2.505 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.056 -1.929 3.354 1.00 0.00 C ATOM 0 H VAL A 96 -2.218 -1.964 5.246 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.557 -2.515 2.433 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.632 -3.616 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.679 -4.434 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.929 -5.194 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.611 -3.900 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.011 -2.134 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.265 -1.505 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.354 -1.220 4.126 1.00 0.00 H new ATOM 1404 N THR A 97 -3.916 -4.587 2.523 1.00 0.00 N ATOM 1405 CA THR A 97 -4.688 -5.823 2.515 1.00 0.00 C ATOM 1406 C THR A 97 -4.152 -6.800 1.475 1.00 0.00 C ATOM 1407 O THR A 97 -3.860 -6.417 0.341 1.00 0.00 O ATOM 1408 CB THR A 97 -6.177 -5.552 2.228 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.312 -4.759 1.044 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.833 -4.838 3.401 1.00 0.00 C ATOM 0 H THR A 97 -4.062 -3.993 1.707 1.00 0.00 H new ATOM 0 HA THR A 97 -4.590 -6.263 3.507 1.00 0.00 H new ATOM 0 HB THR A 97 -6.676 -6.510 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.620 -5.014 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.884 -4.657 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.755 -5.458 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.330 -3.887 3.575 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.024 -8.062 1.867 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.520 -9.094 0.968 1.00 0.00 C ATOM 1420 C TYR A 98 -4.503 -10.257 0.869 1.00 0.00 C ATOM 1421 O TYR A 98 -4.826 -10.898 1.869 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.160 -9.601 1.450 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.344 -10.270 0.367 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.496 -9.531 -0.448 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.421 -11.642 0.160 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.251 -10.138 -1.439 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.677 -12.257 -0.828 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.157 -11.501 -1.625 1.00 0.00 C ATOM 1429 OH TYR A 98 0.900 -12.110 -2.610 1.00 0.00 O ATOM 0 H TYR A 98 -4.262 -8.396 2.801 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.405 -8.653 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.592 -8.763 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.313 -10.307 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.419 -8.463 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.073 -12.237 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.905 -9.548 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.748 -13.324 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 98 0.910 -13.079 -2.461 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.973 -10.525 -0.345 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.914 -11.610 -0.554 1.00 0.00 C ATOM 1441 C GLY A 99 -7.161 -11.468 0.296 1.00 0.00 C ATOM 1442 O GLY A 99 -7.591 -12.422 0.944 1.00 0.00 O ATOM 0 H GLY A 99 -4.719 -10.010 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.197 -11.644 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.428 -12.558 -0.324 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.744 -10.273 0.294 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.943 -10.031 1.075 1.00 0.00 C ATOM 1448 C GLY A 100 -8.722 -10.251 2.559 1.00 0.00 C ATOM 1449 O GLY A 100 -9.606 -10.746 3.258 1.00 0.00 O ATOM 0 H GLY A 100 -7.407 -9.468 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.281 -9.008 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.739 -10.690 0.728 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.539 -9.886 3.040 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.204 -10.046 4.450 1.00 0.00 C ATOM 1455 C ASP A 101 -6.158 -9.022 4.880 1.00 0.00 C ATOM 1456 O ASP A 101 -5.035 -9.017 4.376 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.689 -11.462 4.716 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.810 -12.444 4.989 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.673 -12.138 5.839 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.825 -13.519 4.353 1.00 0.00 O ATOM 0 H ASP A 101 -6.796 -9.477 2.474 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.109 -9.881 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.112 -11.803 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.010 -11.444 5.568 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.536 -8.156 5.814 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.631 -7.126 6.312 1.00 0.00 C ATOM 1467 C ASP A 102 -4.593 -7.725 7.256 1.00 0.00 C ATOM 1468 O ASP A 102 -4.878 -8.675 7.986 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.419 -6.030 7.031 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.673 -6.560 7.699 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.686 -6.749 6.994 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -7.640 -6.788 8.926 1.00 0.00 O ATOM 0 H ASP A 102 -7.462 -8.147 6.241 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.111 -6.690 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.782 -5.561 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.692 -5.254 6.315 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.388 -7.165 7.234 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.308 -7.644 8.087 1.00 0.00 C ATOM 1479 C ILE A 103 -2.512 -7.203 9.533 1.00 0.00 C ATOM 1480 O ILE A 103 -3.205 -6.226 9.818 1.00 0.00 O ATOM 1481 CB ILE A 103 -0.938 -7.140 7.597 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.052 -5.702 7.088 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.397 -8.053 6.507 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.284 -5.007 6.937 1.00 0.00 C ATOM 0 H ILE A 103 -3.135 -6.379 6.635 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.325 -8.733 8.036 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.241 -7.154 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.562 -5.705 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.675 -5.130 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.572 -7.684 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.284 -9.063 6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.091 -8.068 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.127 -3.992 6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.787 -4.972 7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.902 -5.556 6.226 1.00 0.00 H new ATOM 1496 N PRO A 104 -1.894 -7.939 10.469 1.00 0.00 N ATOM 1497 CA PRO A 104 -1.991 -7.641 11.901 1.00 0.00 C ATOM 1498 C PRO A 104 -1.252 -6.362 12.278 1.00 0.00 C ATOM 1499 O PRO A 104 -1.268 -5.942 13.436 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.330 -8.854 12.560 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.398 -9.386 11.528 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.052 -9.117 10.201 1.00 0.00 C ATOM 0 HA PRO A 104 -3.022 -7.476 12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.796 -8.570 13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.070 -9.601 12.847 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.574 -8.896 11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.227 -10.453 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.315 -8.916 9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.646 -9.967 9.866 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.605 -5.746 11.295 1.00 0.00 N ATOM 1511 CA LEU A 105 0.140 -4.513 11.524 1.00 0.00 C ATOM 1512 C LEU A 105 -0.710 -3.292 11.185 1.00 0.00 C ATOM 1513 O LEU A 105 -0.661 -2.277 11.880 1.00 0.00 O ATOM 1514 CB LEU A 105 1.421 -4.504 10.688 1.00 0.00 C ATOM 1515 CG LEU A 105 2.374 -5.680 10.908 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.333 -5.816 9.736 1.00 0.00 C ATOM 1517 CD2 LEU A 105 3.141 -5.507 12.211 1.00 0.00 C ATOM 0 H LEU A 105 -0.581 -6.080 10.332 1.00 0.00 H new ATOM 0 HA LEU A 105 0.403 -4.468 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.143 -4.479 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.961 -3.581 10.897 1.00 0.00 H new ATOM 0 HG LEU A 105 1.784 -6.594 10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.003 -6.658 9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.767 -5.986 8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.917 -4.901 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.814 -6.352 12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.720 -4.584 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.439 -5.460 13.043 1.00 0.00 H new ATOM 1529 N SER A 106 -1.490 -3.400 10.114 1.00 0.00 N ATOM 1530 CA SER A 106 -2.350 -2.304 9.682 1.00 0.00 C ATOM 1531 C SER A 106 -3.440 -2.030 10.713 1.00 0.00 C ATOM 1532 O SER A 106 -3.826 -2.901 11.493 1.00 0.00 O ATOM 1533 CB SER A 106 -2.983 -2.629 8.328 1.00 0.00 C ATOM 1534 OG SER A 106 -3.524 -3.938 8.318 1.00 0.00 O ATOM 0 H SER A 106 -1.544 -4.234 9.530 1.00 0.00 H new ATOM 0 HA SER A 106 -1.735 -1.409 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.768 -1.906 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.234 -2.536 7.541 1.00 0.00 H new ATOM 0 HG SER A 106 -3.695 -4.228 9.238 1.00 0.00 H new ATOM 1540 N PRO A 107 -3.951 -0.790 10.718 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.500 0.255 9.795 1.00 0.00 C ATOM 1542 C PRO A 107 -2.084 0.731 10.104 1.00 0.00 C ATOM 1543 O PRO A 107 -1.429 0.213 11.008 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.506 1.387 10.021 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.008 1.176 11.407 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.007 -0.312 11.626 1.00 0.00 C ATOM 0 HA PRO A 107 -3.462 -0.100 8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.033 2.364 9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.318 1.346 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.369 1.678 12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.010 1.587 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.790 -0.565 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.974 -0.754 11.386 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.619 1.719 9.348 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.280 2.263 9.541 1.00 0.00 C ATOM 1556 C TYR A 108 -0.341 3.740 9.919 1.00 0.00 C ATOM 1557 O TYR A 108 -0.935 4.551 9.207 1.00 0.00 O ATOM 1558 CB TYR A 108 0.553 2.085 8.271 1.00 0.00 C ATOM 1559 CG TYR A 108 1.110 0.689 8.103 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.377 -0.301 7.461 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.371 0.361 8.586 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.882 -1.577 7.307 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.885 -0.913 8.435 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.136 -1.878 7.795 1.00 0.00 C ATOM 1565 OH TYR A 108 2.643 -3.148 7.642 1.00 0.00 O ATOM 0 H TYR A 108 -2.149 2.159 8.596 1.00 0.00 H new ATOM 0 HA TYR A 108 0.192 1.717 10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.063 2.328 7.405 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.378 2.797 8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.605 -0.069 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.960 1.115 9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.298 -2.335 6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.867 -1.151 8.816 1.00 0.00 H new ATOM 0 HH TYR A 108 3.537 -3.193 8.040 1.00 0.00 H new ATOM 1575 N ARG A 109 0.278 4.082 11.044 1.00 0.00 N ATOM 1576 CA ARG A 109 0.294 5.461 11.519 1.00 0.00 C ATOM 1577 C ARG A 109 1.466 6.229 10.915 1.00 0.00 C ATOM 1578 O ARG A 109 2.623 5.835 11.065 1.00 0.00 O ATOM 1579 CB ARG A 109 0.379 5.496 13.046 1.00 0.00 C ATOM 1580 CG ARG A 109 1.624 4.823 13.602 1.00 0.00 C ATOM 1581 CD ARG A 109 1.413 4.359 15.035 1.00 0.00 C ATOM 1582 NE ARG A 109 2.403 3.365 15.439 1.00 0.00 N ATOM 1583 CZ ARG A 109 3.606 3.675 15.911 1.00 0.00 C ATOM 1584 NH1 ARG A 109 3.964 4.945 16.037 1.00 0.00 N ATOM 1585 NH2 ARG A 109 4.452 2.713 16.258 1.00 0.00 N ATOM 0 H ARG A 109 0.775 3.424 11.644 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.633 5.939 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.358 6.534 13.379 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.503 5.010 13.462 1.00 0.00 H new ATOM 0 HG2 ARG A 109 1.888 3.970 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 109 2.463 5.518 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.466 5.217 15.705 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.413 3.937 15.136 1.00 0.00 H new ATOM 0 HE ARG A 109 2.158 2.379 15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 109 3.316 5.686 15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.888 5.181 16.399 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.179 1.735 16.162 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.375 2.952 16.620 1.00 0.00 H new ATOM 1599 N ILE A 110 1.158 7.327 10.233 1.00 0.00 N ATOM 1600 CA ILE A 110 2.185 8.151 9.607 1.00 0.00 C ATOM 1601 C ILE A 110 1.817 9.629 9.669 1.00 0.00 C ATOM 1602 O ILE A 110 0.642 9.990 9.603 1.00 0.00 O ATOM 1603 CB ILE A 110 2.410 7.750 8.137 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.477 6.228 8.005 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.682 8.390 7.603 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.763 5.755 6.597 1.00 0.00 C ATOM 0 H ILE A 110 0.205 7.667 10.100 1.00 0.00 H new ATOM 0 HA ILE A 110 3.106 7.985 10.165 1.00 0.00 H new ATOM 0 HB ILE A 110 1.569 8.110 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.251 5.847 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.531 5.801 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.828 8.097 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.598 9.475 7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.534 8.057 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.796 4.666 6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.976 6.105 5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.723 6.153 6.267 1.00 0.00 H new ATOM 1618 N ARG A 111 2.830 10.480 9.795 1.00 0.00 N ATOM 1619 CA ARG A 111 2.613 11.921 9.865 1.00 0.00 C ATOM 1620 C ARG A 111 3.705 12.672 9.108 1.00 0.00 C ATOM 1621 O ARG A 111 4.894 12.482 9.363 1.00 0.00 O ATOM 1622 CB ARG A 111 2.579 12.382 11.323 1.00 0.00 C ATOM 1623 CG ARG A 111 3.674 11.771 12.182 1.00 0.00 C ATOM 1624 CD ARG A 111 3.824 12.510 13.502 1.00 0.00 C ATOM 1625 NE ARG A 111 4.390 13.844 13.322 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.205 14.843 14.178 1.00 0.00 C ATOM 1627 NH1 ARG A 111 3.474 14.659 15.268 1.00 0.00 N ATOM 1628 NH2 ARG A 111 4.754 16.028 13.945 1.00 0.00 N ATOM 0 H ARG A 111 3.808 10.197 9.851 1.00 0.00 H new ATOM 0 HA ARG A 111 1.653 12.142 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.669 13.468 11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.609 12.130 11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.445 10.723 12.375 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.620 11.796 11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.850 12.592 13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.463 11.932 14.170 1.00 0.00 H new ATOM 0 HE ARG A 111 4.959 14.018 12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.052 13.749 15.451 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.334 15.428 15.924 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.319 16.173 13.108 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.611 16.794 14.603 1.00 0.00 H new ATOM 1642 N ALA A 112 3.291 13.525 8.177 1.00 0.00 N ATOM 1643 CA ALA A 112 4.233 14.306 7.384 1.00 0.00 C ATOM 1644 C ALA A 112 4.720 15.527 8.157 1.00 0.00 C ATOM 1645 O ALA A 112 3.922 16.350 8.606 1.00 0.00 O ATOM 1646 CB ALA A 112 3.593 14.731 6.071 1.00 0.00 C ATOM 0 H ALA A 112 2.310 13.693 7.953 1.00 0.00 H new ATOM 0 HA ALA A 112 5.096 13.677 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.308 15.313 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.300 13.846 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.712 15.339 6.276 1.00 0.00 H new ATOM 1652 N THR A 113 6.036 15.639 8.309 1.00 0.00 N ATOM 1653 CA THR A 113 6.630 16.759 9.029 1.00 0.00 C ATOM 1654 C THR A 113 6.979 17.900 8.080 1.00 0.00 C ATOM 1655 O THR A 113 8.108 17.997 7.601 1.00 0.00 O ATOM 1656 CB THR A 113 7.901 16.330 9.786 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.874 15.826 8.864 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.578 15.265 10.824 1.00 0.00 C ATOM 0 H THR A 113 6.711 14.968 7.943 1.00 0.00 H new ATOM 0 HA THR A 113 5.886 17.102 9.748 1.00 0.00 H new ATOM 0 HB THR A 113 8.305 17.203 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.994 16.467 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.490 14.977 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 113 6.859 15.662 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.152 14.392 10.329 1.00 0.00 H new