USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 157 ASN :FLIP amide:sc= -0.455 F(o=-1.7!,f=-0.45) USER MOD Set 1.2: A 158 HIS : no HD1:sc= 0 X(o=-0.45,f=-0.45) USER MOD Set 2.1: A 107 CYS SG : rot 105:sc= 0.361 USER MOD Set 2.2: A 138 SER OG : rot 152:sc= 0.0732 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 101 MET CE :methyl -159:sc= 0 (180deg=-0.799) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 8:sc= 1.24 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD Single : A 134 CYS SG : rot -17:sc= -0.12 USER MOD Single : A 145 SER OG : rot 120:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 149 TYR OH : rot 160:sc= 0.499 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 178:sc= 0.42 USER MOD Single : A 167 LYS NZ :NH3+ -152:sc= 0.563 (180deg=-0.309) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 63.325 9.041 -11.967 1.00 25.00 N ATOM 307 CA HIS A 100 63.431 10.144 -11.037 1.00 25.00 C ATOM 308 C HIS A 100 64.346 9.747 -9.880 1.00 25.00 C ATOM 309 O HIS A 100 64.594 8.566 -9.686 1.00 25.00 O ATOM 310 CB HIS A 100 62.063 10.510 -10.509 1.00 25.00 C ATOM 311 CG HIS A 100 61.158 9.340 -10.342 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.334 8.333 -9.442 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.955 9.063 -10.943 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.318 7.480 -9.532 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.462 7.865 -10.464 1.00 25.00 N ATOM 0 HA HIS A 100 63.851 11.008 -11.551 1.00 25.00 H new ATOM 0 HB2 HIS A 100 62.176 11.012 -9.548 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.599 11.224 -11.189 1.00 25.00 H new ATOM 0 HD2 HIS A 100 59.468 9.687 -11.678 1.00 25.00 H new ATOM 0 HE1 HIS A 100 60.207 6.593 -8.926 1.00 25.00 H new ATOM 0 HE2 HIS A 100 58.617 7.380 -10.765 1.00 25.00 H new ATOM 323 N MET A 101 64.878 10.744 -9.178 1.00 25.00 N ATOM 324 CA MET A 101 65.824 10.525 -8.124 1.00 25.00 C ATOM 325 C MET A 101 65.558 11.526 -7.014 1.00 25.00 C ATOM 326 O MET A 101 64.882 12.550 -7.247 1.00 25.00 O ATOM 327 CB MET A 101 67.219 10.689 -8.699 1.00 25.00 C ATOM 328 CG MET A 101 67.375 11.892 -9.567 1.00 25.00 C ATOM 329 SD MET A 101 68.978 11.961 -10.394 1.00 25.00 S ATOM 330 CE MET A 101 68.772 13.536 -11.283 1.00 25.00 C ATOM 0 H MET A 101 64.654 11.726 -9.337 1.00 25.00 H new ATOM 0 HA MET A 101 65.733 9.522 -7.706 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.935 10.749 -7.879 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.470 9.800 -9.278 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.585 11.897 -10.317 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.245 12.789 -8.962 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.470 13.576 -12.120 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.751 13.611 -11.658 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.972 14.366 -10.605 1.00 25.00 H new ATOM 340 N LEU A 102 65.995 11.176 -5.809 1.00 25.00 N ATOM 341 CA LEU A 102 65.747 12.007 -4.671 1.00 25.00 C ATOM 342 C LEU A 102 67.081 12.594 -4.256 1.00 25.00 C ATOM 343 O LEU A 102 68.068 11.888 -4.071 1.00 25.00 O ATOM 344 CB LEU A 102 65.216 11.150 -3.554 1.00 25.00 C ATOM 345 CG LEU A 102 64.904 11.884 -2.236 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.612 12.789 -2.352 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.676 10.746 -1.160 1.00 25.00 C ATOM 0 H LEU A 102 66.519 10.324 -5.611 1.00 25.00 H new ATOM 0 HA LEU A 102 65.026 12.792 -4.898 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.306 10.659 -3.899 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.943 10.364 -3.347 1.00 25.00 H new ATOM 0 HG LEU A 102 65.720 12.555 -1.968 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.430 13.287 -1.400 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.761 13.537 -3.131 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.754 12.167 -2.606 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.449 11.198 -0.195 1.00 25.00 H new ATOM 0 HD22 LEU A 102 63.844 10.114 -1.470 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.578 10.141 -1.074 1.00 25.00 H new ATOM 359 N LEU A 103 67.123 13.905 -4.161 1.00 25.00 N ATOM 360 CA LEU A 103 68.363 14.648 -3.808 1.00 25.00 C ATOM 361 C LEU A 103 68.101 15.367 -2.500 1.00 25.00 C ATOM 362 O LEU A 103 66.959 15.668 -2.139 1.00 25.00 O ATOM 363 CB LEU A 103 68.692 15.634 -4.924 1.00 25.00 C ATOM 364 CG LEU A 103 68.930 15.124 -6.361 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.156 16.283 -7.321 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.140 14.233 -6.401 1.00 25.00 C ATOM 0 H LEU A 103 66.314 14.505 -4.321 1.00 25.00 H new ATOM 0 HA LEU A 103 69.215 13.978 -3.694 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.878 16.357 -4.968 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.586 16.179 -4.621 1.00 25.00 H new ATOM 0 HG LEU A 103 68.042 14.569 -6.665 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.321 15.896 -8.326 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.280 16.931 -7.321 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.029 16.853 -7.004 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.298 13.879 -7.420 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.015 14.793 -6.072 1.00 25.00 H new ATOM 0 HD23 LEU A 103 69.986 13.380 -5.741 1.00 25.00 H new ATOM 378 N THR A 104 69.178 15.702 -1.812 1.00 25.00 N ATOM 379 CA THR A 104 69.130 16.519 -0.607 1.00 25.00 C ATOM 380 C THR A 104 69.709 17.899 -0.911 1.00 25.00 C ATOM 381 O THR A 104 70.786 18.023 -1.486 1.00 25.00 O ATOM 382 CB THR A 104 69.982 15.847 0.507 1.00 25.00 C ATOM 383 OG1 THR A 104 69.719 14.439 0.504 1.00 25.00 O ATOM 384 CG2 THR A 104 69.635 16.371 1.895 1.00 25.00 C ATOM 0 H THR A 104 70.120 15.413 -2.074 1.00 25.00 H new ATOM 0 HA THR A 104 68.097 16.615 -0.273 1.00 25.00 H new ATOM 0 HB THR A 104 71.028 16.073 0.297 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.253 14.005 1.202 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.256 15.871 2.638 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.815 17.445 1.934 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.585 16.172 2.107 1.00 25.00 H new ATOM 392 N VAL A 105 69.027 18.954 -0.460 1.00 25.00 N ATOM 393 CA VAL A 105 69.536 20.319 -0.600 1.00 25.00 C ATOM 394 C VAL A 105 69.623 20.919 0.744 1.00 25.00 C ATOM 395 O VAL A 105 68.668 20.981 1.481 1.00 25.00 O ATOM 396 CB VAL A 105 68.582 21.222 -1.423 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.155 22.677 -1.530 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.386 20.648 -2.845 1.00 25.00 C ATOM 0 H VAL A 105 68.121 18.889 0.005 1.00 25.00 H new ATOM 0 HA VAL A 105 70.499 20.259 -1.107 1.00 25.00 H new ATOM 0 HB VAL A 105 67.621 21.251 -0.909 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.471 23.296 -2.111 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.266 23.099 -0.531 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.127 22.650 -2.022 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.713 21.294 -3.409 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.349 20.596 -3.352 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.957 19.648 -2.778 1.00 25.00 H new ATOM 408 N TYR A 106 70.824 21.344 1.079 1.00 25.00 N ATOM 409 CA TYR A 106 71.147 21.913 2.369 1.00 25.00 C ATOM 410 C TYR A 106 71.345 23.442 2.179 1.00 25.00 C ATOM 411 O TYR A 106 72.250 23.888 1.474 1.00 25.00 O ATOM 412 CB TYR A 106 72.481 21.281 2.820 1.00 25.00 C ATOM 413 CG TYR A 106 72.752 21.249 4.287 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.638 22.401 5.105 1.00 25.00 C ATOM 415 CD2 TYR A 106 73.170 20.029 4.894 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.943 22.350 6.488 1.00 25.00 C ATOM 417 CE2 TYR A 106 73.485 19.943 6.270 1.00 25.00 C ATOM 418 CZ TYR A 106 73.395 21.116 7.046 1.00 25.00 C ATOM 419 OH TYR A 106 73.739 21.098 8.367 1.00 25.00 O ATOM 0 H TYR A 106 71.622 21.302 0.445 1.00 25.00 H new ATOM 0 HA TYR A 106 70.364 21.728 3.105 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.515 20.258 2.447 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.294 21.823 2.337 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.313 23.333 4.667 1.00 25.00 H new ATOM 0 HD2 TYR A 106 73.249 19.142 4.283 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.836 23.228 7.108 1.00 25.00 H new ATOM 0 HE2 TYR A 106 73.786 19.005 6.713 1.00 25.00 H new ATOM 0 HH TYR A 106 73.494 21.952 8.781 1.00 25.00 H new ATOM 429 N CYS A 107 70.545 24.270 2.834 1.00 25.00 N ATOM 430 CA CYS A 107 70.631 25.711 2.674 1.00 25.00 C ATOM 431 C CYS A 107 71.276 26.258 3.911 1.00 25.00 C ATOM 432 O CYS A 107 70.808 25.990 5.013 1.00 25.00 O ATOM 433 CB CYS A 107 69.265 26.332 2.470 1.00 25.00 C ATOM 434 SG CYS A 107 68.465 25.711 0.977 1.00 25.00 S ATOM 0 H CYS A 107 69.823 23.963 3.486 1.00 25.00 H new ATOM 0 HA CYS A 107 71.218 25.951 1.788 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.636 26.120 3.335 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.364 27.416 2.406 1.00 25.00 H new ATOM 0 HG CYS A 107 67.530 24.869 1.304 1.00 25.00 H new ATOM 440 N VAL A 108 72.330 27.041 3.725 1.00 25.00 N ATOM 441 CA VAL A 108 73.126 27.528 4.875 1.00 25.00 C ATOM 442 C VAL A 108 73.085 29.057 4.997 1.00 25.00 C ATOM 443 O VAL A 108 73.170 29.769 4.009 1.00 25.00 O ATOM 444 CB VAL A 108 74.616 27.000 4.697 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.504 27.541 5.778 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.644 25.486 4.630 1.00 25.00 C ATOM 0 H VAL A 108 72.660 27.355 2.812 1.00 25.00 H new ATOM 0 HA VAL A 108 72.699 27.143 5.801 1.00 25.00 H new ATOM 0 HB VAL A 108 75.008 27.368 3.749 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.518 27.167 5.637 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.509 28.630 5.734 1.00 25.00 H new ATOM 0 HG13 VAL A 108 75.131 27.219 6.750 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.672 25.146 4.508 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.232 25.073 5.551 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.047 25.148 3.783 1.00 25.00 H new ATOM 456 N ARG A 109 72.955 29.547 6.237 1.00 25.00 N ATOM 457 CA ARG A 109 73.070 30.952 6.544 1.00 25.00 C ATOM 458 C ARG A 109 74.181 31.108 7.595 1.00 25.00 C ATOM 459 O ARG A 109 74.415 30.194 8.354 1.00 25.00 O ATOM 460 CB ARG A 109 71.746 31.479 7.101 1.00 25.00 C ATOM 461 CG ARG A 109 70.767 31.847 5.985 1.00 25.00 C ATOM 462 CD ARG A 109 70.032 33.171 6.216 1.00 25.00 C ATOM 463 NE ARG A 109 70.901 34.382 6.092 1.00 25.00 N ATOM 464 CZ ARG A 109 70.466 35.633 6.091 1.00 25.00 C ATOM 465 NH1 ARG A 109 69.196 35.915 6.082 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 71.326 36.619 6.064 1.00 25.00 N ATOM 0 H ARG A 109 72.766 28.963 7.052 1.00 25.00 H new ATOM 0 HA ARG A 109 73.309 31.520 5.645 1.00 25.00 H new ATOM 0 HB2 ARG A 109 71.296 30.723 7.745 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.936 32.355 7.722 1.00 25.00 H new ATOM 0 HG2 ARG A 109 71.311 31.904 5.042 1.00 25.00 H new ATOM 0 HG3 ARG A 109 70.033 31.048 5.881 1.00 25.00 H new ATOM 0 HD2 ARG A 109 69.214 33.249 5.500 1.00 25.00 H new ATOM 0 HD3 ARG A 109 69.586 33.158 7.210 1.00 25.00 H new ATOM 0 HE ARG A 109 71.906 34.233 6.001 1.00 25.00 H new ATOM 0 HH11 ARG A 109 68.507 35.163 6.076 1.00 25.00 H new ATOM 0 HH12 ARG A 109 68.890 36.888 6.081 1.00 25.00 H new ATOM 0 HH21 ARG A 109 72.327 36.423 6.044 1.00 25.00 H new ATOM 0 HH22 ARG A 109 70.996 37.584 6.063 1.00 25.00 H new ATOM 480 N ARG A 110 74.844 32.265 7.623 1.00 25.00 N ATOM 481 CA ARG A 110 75.986 32.473 8.548 1.00 25.00 C ATOM 482 C ARG A 110 75.605 32.368 10.023 1.00 25.00 C ATOM 483 O ARG A 110 76.417 32.003 10.858 1.00 25.00 O ATOM 484 CB ARG A 110 76.609 33.874 8.308 1.00 25.00 C ATOM 485 CG ARG A 110 78.098 33.912 8.585 1.00 25.00 C ATOM 486 CD ARG A 110 78.679 35.169 8.065 1.00 25.00 C ATOM 487 NE ARG A 110 80.156 35.160 8.262 1.00 25.00 N ATOM 488 CZ ARG A 110 81.021 36.094 7.853 1.00 25.00 C ATOM 489 NH1 ARG A 110 80.661 37.167 7.204 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 82.303 35.937 8.131 1.00 25.00 N ATOM 0 H ARG A 110 74.624 33.066 7.032 1.00 25.00 H new ATOM 0 HA ARG A 110 76.696 31.675 8.332 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.429 34.174 7.276 1.00 25.00 H new ATOM 0 HB3 ARG A 110 76.107 34.603 8.944 1.00 25.00 H new ATOM 0 HG2 ARG A 110 78.279 33.835 9.657 1.00 25.00 H new ATOM 0 HG3 ARG A 110 78.585 33.056 8.117 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.445 35.278 7.006 1.00 25.00 H new ATOM 0 HD3 ARG A 110 78.239 36.024 8.579 1.00 25.00 H new ATOM 0 HE ARG A 110 80.547 34.360 8.759 1.00 25.00 H new ATOM 0 HH11 ARG A 110 79.677 37.325 6.985 1.00 25.00 H new ATOM 0 HH12 ARG A 110 81.363 37.848 6.915 1.00 25.00 H new ATOM 0 HH21 ARG A 110 82.616 35.115 8.648 1.00 25.00 H new ATOM 0 HH22 ARG A 110 82.980 36.637 7.828 1.00 25.00 H new ATOM 504 N ASP A 111 74.372 32.744 10.355 1.00 25.00 N ATOM 505 CA ASP A 111 73.866 32.731 11.747 1.00 25.00 C ATOM 506 C ASP A 111 73.274 31.368 12.054 1.00 25.00 C ATOM 507 O ASP A 111 72.374 31.278 12.886 1.00 25.00 O ATOM 508 CB ASP A 111 72.764 33.803 11.885 1.00 25.00 C ATOM 509 CG ASP A 111 72.385 34.052 13.338 1.00 25.00 C ATOM 510 OD1 ASP A 111 73.348 34.227 14.156 1.00 25.00 O ATOM 511 OD2 ASP A 111 71.180 34.263 13.596 1.00 25.00 O1- ATOM 0 H ASP A 111 73.686 33.069 9.674 1.00 25.00 H new ATOM 0 HA ASP A 111 74.681 32.939 12.440 1.00 25.00 H new ATOM 0 HB2 ASP A 111 73.107 34.735 11.436 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.881 33.488 11.329 1.00 25.00 H new ATOM 516 N LEU A 112 73.715 30.329 11.382 1.00 25.00 N ATOM 517 CA LEU A 112 73.230 28.920 11.641 1.00 25.00 C ATOM 518 C LEU A 112 71.699 28.775 11.475 1.00 25.00 C ATOM 519 O LEU A 112 71.091 27.841 11.989 1.00 25.00 O ATOM 520 CB LEU A 112 73.687 28.401 13.051 1.00 25.00 C ATOM 521 CG LEU A 112 75.201 28.559 13.323 1.00 25.00 C ATOM 522 CD1 LEU A 112 75.607 28.076 14.732 1.00 25.00 C ATOM 523 CD2 LEU A 112 76.064 27.864 12.248 1.00 25.00 C ATOM 0 H LEU A 112 74.413 30.396 10.641 1.00 25.00 H new ATOM 0 HA LEU A 112 73.696 28.295 10.879 1.00 25.00 H new ATOM 0 HB2 LEU A 112 73.133 28.938 13.821 1.00 25.00 H new ATOM 0 HB3 LEU A 112 73.421 27.348 13.142 1.00 25.00 H new ATOM 0 HG LEU A 112 75.396 29.630 13.273 1.00 25.00 H new ATOM 0 HD11 LEU A 112 76.680 28.210 14.868 1.00 25.00 H new ATOM 0 HD12 LEU A 112 75.071 28.655 15.484 1.00 25.00 H new ATOM 0 HD13 LEU A 112 75.357 27.021 14.841 1.00 25.00 H new ATOM 0 HD21 LEU A 112 77.119 28.003 12.483 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.834 26.799 12.229 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.849 28.299 11.272 1.00 25.00 H new ATOM 535 N SER A 113 71.101 29.639 10.692 1.00 25.00 N ATOM 536 CA SER A 113 69.658 29.603 10.368 1.00 25.00 C ATOM 537 C SER A 113 69.428 28.549 9.289 1.00 25.00 C ATOM 538 O SER A 113 68.496 28.664 8.500 1.00 25.00 O ATOM 539 CB SER A 113 69.229 30.981 9.827 1.00 25.00 C ATOM 540 OG SER A 113 70.052 31.984 10.383 1.00 25.00 O ATOM 0 H SER A 113 71.595 30.410 10.243 1.00 25.00 H new ATOM 0 HA SER A 113 69.078 29.361 11.259 1.00 25.00 H new ATOM 0 HB2 SER A 113 69.304 30.996 8.740 1.00 25.00 H new ATOM 0 HB3 SER A 113 68.185 31.172 10.077 1.00 25.00 H new ATOM 0 HG SER A 113 69.780 32.860 10.037 1.00 25.00 H new ATOM 546 N GLU A 114 70.333 27.594 9.202 1.00 25.00 N ATOM 547 CA GLU A 114 70.419 26.593 8.162 1.00 25.00 C ATOM 548 C GLU A 114 69.308 25.544 8.251 1.00 25.00 C ATOM 549 O GLU A 114 68.755 25.279 9.308 1.00 25.00 O ATOM 550 CB GLU A 114 71.780 25.894 8.250 1.00 25.00 C ATOM 551 CG GLU A 114 72.001 25.049 9.528 1.00 25.00 C ATOM 552 CD GLU A 114 73.463 24.645 9.657 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.319 25.565 9.749 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.755 23.402 9.518 1.00 25.00 O1- ATOM 0 H GLU A 114 71.071 27.492 9.898 1.00 25.00 H new ATOM 0 HA GLU A 114 70.302 27.107 7.208 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.896 25.247 7.380 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.564 26.649 8.192 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.697 25.620 10.405 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.374 24.158 9.495 1.00 25.00 H new ATOM 561 N VAL A 115 69.009 24.936 7.105 1.00 25.00 N ATOM 562 CA VAL A 115 67.923 23.937 7.011 1.00 25.00 C ATOM 563 C VAL A 115 68.296 23.019 5.865 1.00 25.00 C ATOM 564 O VAL A 115 68.836 23.484 4.846 1.00 25.00 O ATOM 565 CB VAL A 115 66.516 24.657 6.768 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.651 25.848 5.753 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.423 23.666 6.322 1.00 25.00 C ATOM 0 H VAL A 115 69.496 25.110 6.226 1.00 25.00 H new ATOM 0 HA VAL A 115 67.813 23.369 7.935 1.00 25.00 H new ATOM 0 HB VAL A 115 66.202 25.067 7.728 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.677 26.316 5.610 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.353 26.583 6.146 1.00 25.00 H new ATOM 0 HG13 VAL A 115 67.017 25.472 4.798 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.486 24.202 6.170 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.724 23.188 5.390 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.285 22.906 7.091 1.00 25.00 H new ATOM 577 N THR A 116 68.052 21.732 6.017 1.00 25.00 N ATOM 578 CA THR A 116 68.302 20.818 4.876 1.00 25.00 C ATOM 579 C THR A 116 66.987 20.098 4.635 1.00 25.00 C ATOM 580 O THR A 116 66.233 19.894 5.555 1.00 25.00 O ATOM 581 CB THR A 116 69.456 19.801 5.189 1.00 25.00 C ATOM 582 OG1 THR A 116 69.734 18.990 4.037 1.00 25.00 O ATOM 583 CG2 THR A 116 69.111 18.842 6.306 1.00 25.00 C ATOM 0 H THR A 116 67.698 21.294 6.867 1.00 25.00 H new ATOM 0 HA THR A 116 68.628 21.369 3.994 1.00 25.00 H new ATOM 0 HB THR A 116 70.310 20.412 5.481 1.00 25.00 H new ATOM 0 HG1 THR A 116 70.457 18.362 4.246 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.948 18.165 6.475 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.908 19.403 7.218 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.228 18.266 6.031 1.00 25.00 H new ATOM 591 N PHE A 117 66.699 19.753 3.376 1.00 25.00 N ATOM 592 CA PHE A 117 65.460 19.095 3.019 1.00 25.00 C ATOM 593 C PHE A 117 65.707 18.324 1.734 1.00 25.00 C ATOM 594 O PHE A 117 66.770 18.473 1.146 1.00 25.00 O ATOM 595 CB PHE A 117 64.329 20.166 2.785 1.00 25.00 C ATOM 596 CG PHE A 117 64.713 21.272 1.778 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.690 21.066 0.380 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.114 22.560 2.234 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.078 22.109 -0.517 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.464 23.582 1.346 1.00 25.00 C ATOM 601 CZ PHE A 117 65.483 23.341 -0.020 1.00 25.00 C ATOM 0 H PHE A 117 67.322 19.925 2.587 1.00 25.00 H new ATOM 0 HA PHE A 117 65.139 18.426 3.817 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.431 19.660 2.429 1.00 25.00 H new ATOM 0 HB3 PHE A 117 64.077 20.629 3.739 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.376 20.111 -0.015 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.149 22.753 3.296 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.056 21.939 -1.583 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.720 24.561 1.724 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.814 24.113 -0.699 1.00 25.00 H new ATOM 611 N SER A 118 64.738 17.550 1.248 1.00 25.00 N ATOM 612 CA SER A 118 64.939 16.782 0.019 1.00 25.00 C ATOM 613 C SER A 118 63.935 17.108 -1.123 1.00 25.00 C ATOM 614 O SER A 118 62.779 17.460 -0.896 1.00 25.00 O ATOM 615 CB SER A 118 64.845 15.268 0.380 1.00 25.00 C ATOM 616 OG SER A 118 65.749 14.948 1.421 1.00 25.00 O ATOM 0 H SER A 118 63.820 17.438 1.678 1.00 25.00 H new ATOM 0 HA SER A 118 65.918 17.057 -0.373 1.00 25.00 H new ATOM 0 HB2 SER A 118 63.828 15.024 0.686 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.066 14.664 -0.500 1.00 25.00 H new ATOM 0 HG SER A 118 65.676 13.995 1.636 1.00 25.00 H new ATOM 622 N LEU A 119 64.412 17.003 -2.366 1.00 25.00 N ATOM 623 CA LEU A 119 63.583 17.230 -3.544 1.00 25.00 C ATOM 624 C LEU A 119 63.633 16.041 -4.411 1.00 25.00 C ATOM 625 O LEU A 119 64.652 15.397 -4.535 1.00 25.00 O ATOM 626 CB LEU A 119 64.073 18.449 -4.348 1.00 25.00 C ATOM 627 CG LEU A 119 64.056 19.799 -3.641 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.751 20.836 -4.435 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.619 20.263 -3.325 1.00 25.00 C ATOM 0 H LEU A 119 65.379 16.759 -2.580 1.00 25.00 H new ATOM 0 HA LEU A 119 62.564 17.420 -3.208 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.094 18.251 -4.674 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.461 18.530 -5.246 1.00 25.00 H new ATOM 0 HG LEU A 119 64.589 19.662 -2.700 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.719 21.785 -3.901 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.789 20.541 -4.590 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.258 20.947 -5.401 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.651 21.229 -2.821 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.054 20.356 -4.253 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.135 19.532 -2.677 1.00 25.00 H new ATOM 641 N GLN A 120 62.527 15.824 -5.090 1.00 25.00 N ATOM 642 CA GLN A 120 62.429 14.776 -6.122 1.00 25.00 C ATOM 643 C GLN A 120 62.621 15.460 -7.430 1.00 25.00 C ATOM 644 O GLN A 120 61.988 16.427 -7.692 1.00 25.00 O ATOM 645 CB GLN A 120 61.067 14.082 -6.061 1.00 25.00 C ATOM 646 CG GLN A 120 60.730 13.371 -4.711 1.00 25.00 C ATOM 647 CD GLN A 120 59.344 12.794 -4.681 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.375 13.371 -5.134 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.238 11.650 -4.053 1.00 25.00 N ATOM 0 H GLN A 120 61.668 16.357 -4.955 1.00 25.00 H new ATOM 0 HA GLN A 120 63.180 14.001 -5.972 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.293 14.822 -6.264 1.00 25.00 H new ATOM 0 HB3 GLN A 120 61.020 13.344 -6.861 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.453 12.574 -4.536 1.00 25.00 H new ATOM 0 HG3 GLN A 120 60.838 14.085 -3.894 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.071 11.191 -3.685 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.322 11.217 -3.932 1.00 25.00 H new ATOM 658 N VAL A 121 63.486 14.939 -8.272 1.00 25.00 N ATOM 659 CA VAL A 121 63.661 15.476 -9.628 1.00 25.00 C ATOM 660 C VAL A 121 63.774 14.371 -10.684 1.00 25.00 C ATOM 661 O VAL A 121 64.113 13.209 -10.384 1.00 25.00 O ATOM 662 CB VAL A 121 64.941 16.347 -9.719 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.843 17.571 -8.744 1.00 25.00 C ATOM 664 CG2 VAL A 121 66.194 15.521 -9.345 1.00 25.00 C ATOM 0 H VAL A 121 64.085 14.143 -8.053 1.00 25.00 H new ATOM 0 HA VAL A 121 62.772 16.074 -9.828 1.00 25.00 H new ATOM 0 HB VAL A 121 65.028 16.698 -10.747 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.750 18.171 -8.821 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.980 18.181 -9.011 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.731 17.213 -7.721 1.00 25.00 H new ATOM 0 HG21 VAL A 121 67.080 16.152 -9.416 1.00 25.00 H new ATOM 0 HG22 VAL A 121 66.094 15.149 -8.325 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.293 14.679 -10.030 1.00 25.00 H new ATOM 674 N ASP A 122 63.553 14.748 -11.926 1.00 25.00 N ATOM 675 CA ASP A 122 63.670 13.813 -13.056 1.00 25.00 C ATOM 676 C ASP A 122 65.151 13.732 -13.462 1.00 25.00 C ATOM 677 O ASP A 122 65.916 14.625 -13.148 1.00 25.00 O ATOM 678 CB ASP A 122 62.824 14.346 -14.223 1.00 25.00 C ATOM 679 CG ASP A 122 61.368 14.486 -13.849 1.00 25.00 C ATOM 680 OD1 ASP A 122 60.845 13.617 -13.102 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 60.775 15.488 -14.242 1.00 25.00 O1- ATOM 0 H ASP A 122 63.290 15.697 -12.193 1.00 25.00 H new ATOM 0 HA ASP A 122 63.314 12.820 -12.783 1.00 25.00 H new ATOM 0 HB2 ASP A 122 63.212 15.314 -14.539 1.00 25.00 H new ATOM 0 HB3 ASP A 122 62.916 13.672 -15.075 1.00 25.00 H new ATOM 686 N ALA A 123 65.553 12.697 -14.189 1.00 25.00 N ATOM 687 CA ALA A 123 66.920 12.600 -14.664 1.00 25.00 C ATOM 688 C ALA A 123 67.245 13.721 -15.643 1.00 25.00 C ATOM 689 O ALA A 123 68.339 14.210 -15.693 1.00 25.00 O ATOM 690 CB ALA A 123 67.167 11.216 -15.323 1.00 25.00 C ATOM 0 H ALA A 123 64.952 11.918 -14.460 1.00 25.00 H new ATOM 0 HA ALA A 123 67.582 12.703 -13.805 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.197 11.159 -15.674 1.00 25.00 H new ATOM 0 HB2 ALA A 123 66.989 10.428 -14.592 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.489 11.088 -16.166 1.00 25.00 H new ATOM 696 N ASP A 124 66.225 14.138 -16.413 1.00 25.00 N ATOM 697 CA ASP A 124 66.353 15.170 -17.432 1.00 25.00 C ATOM 698 C ASP A 124 66.000 16.583 -16.899 1.00 25.00 C ATOM 699 O ASP A 124 65.746 17.491 -17.674 1.00 25.00 O ATOM 700 CB ASP A 124 65.452 14.827 -18.619 1.00 25.00 C ATOM 701 CG ASP A 124 65.845 13.535 -19.313 1.00 25.00 C ATOM 702 OD1 ASP A 124 66.680 13.615 -20.202 1.00 25.00 O ATOM 703 OD2 ASP A 124 65.343 12.459 -18.915 1.00 25.00 O1- ATOM 0 H ASP A 124 65.282 13.758 -16.337 1.00 25.00 H new ATOM 0 HA ASP A 124 67.398 15.195 -17.741 1.00 25.00 H new ATOM 0 HB2 ASP A 124 64.421 14.748 -18.274 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.485 15.644 -19.340 1.00 25.00 H new ATOM 708 N PHE A 125 65.991 16.757 -15.592 1.00 25.00 N ATOM 709 CA PHE A 125 65.607 18.054 -15.024 1.00 25.00 C ATOM 710 C PHE A 125 66.744 19.064 -15.198 1.00 25.00 C ATOM 711 O PHE A 125 67.909 18.711 -14.942 1.00 25.00 O ATOM 712 CB PHE A 125 65.311 17.872 -13.547 1.00 25.00 C ATOM 713 CG PHE A 125 64.242 18.760 -12.976 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.891 18.510 -13.249 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.569 19.793 -12.071 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.860 19.272 -12.647 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.543 20.609 -11.471 1.00 25.00 C ATOM 718 CZ PHE A 125 62.198 20.315 -11.735 1.00 25.00 C ATOM 0 H PHE A 125 66.237 16.041 -14.909 1.00 25.00 H new ATOM 0 HA PHE A 125 64.723 18.430 -15.540 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.022 16.835 -13.380 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.232 18.040 -12.989 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.629 17.718 -13.935 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.605 19.975 -11.824 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.825 19.065 -12.877 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.807 21.435 -10.827 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.417 20.879 -11.247 1.00 25.00 H new ATOM 728 N GLU A 126 66.413 20.284 -15.639 1.00 25.00 N ATOM 729 CA GLU A 126 67.406 21.326 -15.799 1.00 25.00 C ATOM 730 C GLU A 126 67.817 21.922 -14.460 1.00 25.00 C ATOM 731 O GLU A 126 67.088 21.938 -13.476 1.00 25.00 O ATOM 732 CB GLU A 126 66.871 22.438 -16.691 1.00 25.00 C ATOM 733 CG GLU A 126 66.785 22.029 -18.154 1.00 25.00 C ATOM 734 CD GLU A 126 66.377 23.225 -19.043 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.406 23.916 -18.632 1.00 25.00 O ATOM 736 OE2 GLU A 126 67.053 23.505 -20.046 1.00 25.00 O1- ATOM 0 H GLU A 126 65.464 20.563 -15.888 1.00 25.00 H new ATOM 0 HA GLU A 126 68.281 20.867 -16.260 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.881 22.733 -16.342 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.515 23.313 -16.600 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.748 21.639 -18.483 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.060 21.223 -18.268 1.00 25.00 H new ATOM 743 N LEU A 127 68.998 22.485 -14.448 1.00 25.00 N ATOM 744 CA LEU A 127 69.520 23.153 -13.293 1.00 25.00 C ATOM 745 C LEU A 127 68.685 24.425 -13.075 1.00 25.00 C ATOM 746 O LEU A 127 68.602 24.913 -11.935 1.00 25.00 O ATOM 747 CB LEU A 127 70.962 23.564 -13.513 1.00 25.00 C ATOM 748 CG LEU A 127 72.025 22.886 -12.681 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.291 23.727 -12.959 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.751 22.815 -11.209 1.00 25.00 C ATOM 0 H LEU A 127 69.628 22.490 -15.250 1.00 25.00 H new ATOM 0 HA LEU A 127 69.473 22.483 -12.435 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.201 23.396 -14.563 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.034 24.637 -13.338 1.00 25.00 H new ATOM 0 HG LEU A 127 72.100 21.835 -12.960 1.00 25.00 H new ATOM 0 HD11 LEU A 127 74.131 23.317 -12.398 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.519 23.700 -14.025 1.00 25.00 H new ATOM 0 HD13 LEU A 127 73.118 24.758 -12.651 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.577 22.309 -10.709 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.648 23.824 -10.809 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.829 22.260 -11.037 1.00 25.00 H new ATOM 762 N HIS A 128 68.169 24.944 -14.175 1.00 25.00 N ATOM 763 CA HIS A 128 67.334 26.146 -14.179 1.00 25.00 C ATOM 764 C HIS A 128 66.034 25.925 -13.426 1.00 25.00 C ATOM 765 O HIS A 128 65.609 26.730 -12.582 1.00 25.00 O ATOM 766 CB HIS A 128 66.983 26.555 -15.646 1.00 25.00 C ATOM 767 CG HIS A 128 66.270 27.881 -15.739 1.00 25.00 C ATOM 768 ND1 HIS A 128 66.883 29.083 -15.522 1.00 25.00 N ATOM 769 CD2 HIS A 128 64.969 28.171 -15.964 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.970 30.029 -15.617 1.00 25.00 C ATOM 771 NE2 HIS A 128 64.789 29.542 -15.909 1.00 25.00 N ATOM 0 H HIS A 128 68.315 24.544 -15.102 1.00 25.00 H new ATOM 0 HA HIS A 128 67.904 26.934 -13.687 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.900 26.601 -16.233 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.358 25.782 -16.092 1.00 25.00 H new ATOM 0 HD2 HIS A 128 64.192 27.446 -16.157 1.00 25.00 H new ATOM 0 HE1 HIS A 128 66.171 31.080 -15.472 1.00 25.00 H new ATOM 0 HE2 HIS A 128 63.924 30.061 -16.062 1.00 25.00 H new ATOM 779 N ASN A 129 65.392 24.802 -13.746 1.00 25.00 N ATOM 780 CA ASN A 129 64.159 24.460 -13.086 1.00 25.00 C ATOM 781 C ASN A 129 64.495 24.075 -11.625 1.00 25.00 C ATOM 782 O ASN A 129 63.752 24.388 -10.708 1.00 25.00 O ATOM 783 CB ASN A 129 63.447 23.307 -13.844 1.00 25.00 C ATOM 784 CG ASN A 129 61.971 23.356 -13.703 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.422 24.244 -13.061 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.307 22.429 -14.335 1.00 25.00 N ATOM 0 H ASN A 129 65.708 24.132 -14.447 1.00 25.00 H new ATOM 0 HA ASN A 129 63.470 25.305 -13.083 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.709 23.356 -14.901 1.00 25.00 H new ATOM 0 HB3 ASN A 129 63.812 22.351 -13.469 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.287 22.423 -14.308 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.807 21.709 -14.857 1.00 25.00 H new ATOM 793 N PHE A 130 65.611 23.406 -11.424 1.00 25.00 N ATOM 794 CA PHE A 130 66.030 22.992 -10.079 1.00 25.00 C ATOM 795 C PHE A 130 66.244 24.147 -9.103 1.00 25.00 C ATOM 796 O PHE A 130 65.836 24.069 -7.974 1.00 25.00 O ATOM 797 CB PHE A 130 67.292 22.150 -10.170 1.00 25.00 C ATOM 798 CG PHE A 130 67.756 21.661 -8.862 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.969 20.721 -8.194 1.00 25.00 C ATOM 800 CD2 PHE A 130 68.970 22.092 -8.285 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.400 20.171 -6.972 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.332 21.596 -7.007 1.00 25.00 C ATOM 803 CZ PHE A 130 68.564 20.592 -6.398 1.00 25.00 C ATOM 0 H PHE A 130 66.252 23.132 -12.168 1.00 25.00 H new ATOM 0 HA PHE A 130 65.204 22.408 -9.673 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.107 21.298 -10.825 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.083 22.741 -10.632 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.024 20.414 -8.617 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.611 22.787 -8.807 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.806 19.411 -6.486 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.200 21.992 -6.501 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.896 20.150 -5.470 1.00 25.00 H new ATOM 813 N ARG A 131 67.004 25.178 -9.500 1.00 25.00 N ATOM 814 CA ARG A 131 67.247 26.324 -8.646 1.00 25.00 C ATOM 815 C ARG A 131 65.960 27.073 -8.321 1.00 25.00 C ATOM 816 O ARG A 131 65.872 27.609 -7.210 1.00 25.00 O ATOM 817 CB ARG A 131 68.329 27.263 -9.268 1.00 25.00 C ATOM 818 CG ARG A 131 67.919 27.916 -10.641 1.00 25.00 C ATOM 819 CD ARG A 131 68.987 28.850 -11.087 1.00 25.00 C ATOM 820 NE ARG A 131 70.179 28.134 -11.564 1.00 25.00 N ATOM 821 CZ ARG A 131 71.425 28.362 -11.124 1.00 25.00 C ATOM 822 NH1 ARG A 131 71.734 29.330 -10.218 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 72.427 27.606 -11.537 1.00 25.00 N ATOM 0 H ARG A 131 67.457 25.231 -10.412 1.00 25.00 H new ATOM 0 HA ARG A 131 67.638 25.954 -7.698 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.555 28.057 -8.556 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.247 26.693 -9.411 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.763 27.141 -11.392 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.975 28.451 -10.534 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.603 29.486 -11.884 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.264 29.506 -10.261 1.00 25.00 H new ATOM 0 HE ARG A 131 70.050 27.416 -12.277 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.999 29.927 -9.838 1.00 25.00 H new ATOM 0 HH12 ARG A 131 72.701 29.459 -9.919 1.00 25.00 H new ATOM 0 HH21 ARG A 131 72.255 26.845 -12.194 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.373 27.784 -11.199 1.00 25.00 H new ATOM 837 N ALA A 132 64.984 27.026 -9.214 1.00 25.00 N ATOM 838 CA ALA A 132 63.702 27.616 -8.947 1.00 25.00 C ATOM 839 C ALA A 132 63.024 26.765 -7.866 1.00 25.00 C ATOM 840 O ALA A 132 62.325 27.266 -6.979 1.00 25.00 O ATOM 841 CB ALA A 132 62.852 27.636 -10.237 1.00 25.00 C ATOM 0 H ALA A 132 65.065 26.582 -10.129 1.00 25.00 H new ATOM 0 HA ALA A 132 63.810 28.645 -8.605 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.881 28.085 -10.026 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.364 28.221 -11.001 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.710 26.616 -10.595 1.00 25.00 H new ATOM 847 N LEU A 133 63.156 25.452 -8.022 1.00 25.00 N ATOM 848 CA LEU A 133 62.471 24.553 -7.133 1.00 25.00 C ATOM 849 C LEU A 133 63.000 24.626 -5.679 1.00 25.00 C ATOM 850 O LEU A 133 62.241 24.615 -4.736 1.00 25.00 O ATOM 851 CB LEU A 133 62.529 23.141 -7.658 1.00 25.00 C ATOM 852 CG LEU A 133 61.724 21.978 -7.065 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.248 22.006 -7.447 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.368 20.682 -7.557 1.00 25.00 C ATOM 0 H LEU A 133 63.721 25.004 -8.743 1.00 25.00 H new ATOM 0 HA LEU A 133 61.430 24.874 -7.099 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.256 23.195 -8.712 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.576 22.841 -7.615 1.00 25.00 H new ATOM 0 HG LEU A 133 61.749 22.059 -5.978 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.739 21.155 -6.994 1.00 25.00 H new ATOM 0 HD12 LEU A 133 59.797 22.932 -7.089 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.152 21.951 -8.531 1.00 25.00 H new ATOM 0 HD21 LEU A 133 61.822 19.829 -7.155 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.338 20.652 -8.646 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.404 20.640 -7.221 1.00 25.00 H new ATOM 866 N CYS A 134 64.318 24.737 -5.483 1.00 25.00 N ATOM 867 CA CYS A 134 64.852 24.830 -4.123 1.00 25.00 C ATOM 868 C CYS A 134 64.585 26.238 -3.500 1.00 25.00 C ATOM 869 O CYS A 134 64.465 26.351 -2.256 1.00 25.00 O ATOM 870 CB CYS A 134 66.321 24.474 -4.075 1.00 25.00 C ATOM 871 SG CYS A 134 67.427 25.611 -4.959 1.00 25.00 S ATOM 0 H CYS A 134 65.016 24.764 -6.226 1.00 25.00 H new ATOM 0 HA CYS A 134 64.321 24.097 -3.516 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.633 24.429 -3.031 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.449 23.474 -4.489 1.00 25.00 H new ATOM 0 HG CYS A 134 66.732 26.342 -5.780 1.00 25.00 H new ATOM 877 N GLU A 135 64.473 27.258 -4.342 1.00 25.00 N ATOM 878 CA GLU A 135 64.110 28.573 -3.882 1.00 25.00 C ATOM 879 C GLU A 135 62.648 28.537 -3.355 1.00 25.00 C ATOM 880 O GLU A 135 62.371 29.067 -2.320 1.00 25.00 O ATOM 881 CB GLU A 135 64.228 29.602 -4.989 1.00 25.00 C ATOM 882 CG GLU A 135 63.750 30.995 -4.614 1.00 25.00 C ATOM 883 CD GLU A 135 62.620 31.442 -5.503 1.00 25.00 C ATOM 884 OE1 GLU A 135 62.807 31.396 -6.716 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 61.594 31.929 -4.998 1.00 25.00 O1- ATOM 0 H GLU A 135 64.631 27.189 -5.347 1.00 25.00 H new ATOM 0 HA GLU A 135 64.795 28.862 -3.085 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.271 29.662 -5.301 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.657 29.256 -5.851 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.423 31.002 -3.574 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.578 31.700 -4.692 1.00 25.00 H new ATOM 892 N LEU A 136 61.764 27.881 -4.060 1.00 25.00 N ATOM 893 CA LEU A 136 60.366 27.711 -3.658 1.00 25.00 C ATOM 894 C LEU A 136 60.259 26.959 -2.386 1.00 25.00 C ATOM 895 O LEU A 136 59.574 27.358 -1.475 1.00 25.00 O ATOM 896 CB LEU A 136 59.625 26.930 -4.765 1.00 25.00 C ATOM 897 CG LEU A 136 58.088 26.758 -4.631 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.383 28.131 -4.758 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.592 25.777 -5.713 1.00 25.00 C ATOM 0 H LEU A 136 61.986 27.436 -4.950 1.00 25.00 H new ATOM 0 HA LEU A 136 59.924 28.697 -3.512 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.824 27.427 -5.715 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.068 25.936 -4.826 1.00 25.00 H new ATOM 0 HG LEU A 136 57.847 26.350 -3.649 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.306 27.997 -4.662 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.737 28.796 -3.970 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.609 28.568 -5.731 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.513 25.652 -5.624 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.831 26.173 -6.700 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.081 24.812 -5.581 1.00 25.00 H new ATOM 911 N GLU A 137 60.996 25.861 -2.297 1.00 25.00 N ATOM 912 CA GLU A 137 60.907 24.997 -1.150 1.00 25.00 C ATOM 913 C GLU A 137 61.431 25.658 0.117 1.00 25.00 C ATOM 914 O GLU A 137 60.829 25.568 1.173 1.00 25.00 O ATOM 915 CB GLU A 137 61.661 23.706 -1.434 1.00 25.00 C ATOM 916 CG GLU A 137 61.438 22.605 -0.439 1.00 25.00 C ATOM 917 CD GLU A 137 60.041 22.014 -0.538 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.648 21.599 -1.635 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.390 21.874 0.526 1.00 25.00 O1- ATOM 0 H GLU A 137 61.659 25.556 -3.010 1.00 25.00 H new ATOM 0 HA GLU A 137 59.854 24.779 -0.973 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.373 23.346 -2.422 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.727 23.928 -1.474 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.175 21.818 -0.599 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.597 22.990 0.568 1.00 25.00 H new ATOM 926 N SER A 138 62.518 26.402 -0.012 1.00 25.00 N ATOM 927 CA SER A 138 63.163 27.041 1.144 1.00 25.00 C ATOM 928 C SER A 138 62.576 28.442 1.443 1.00 25.00 C ATOM 929 O SER A 138 62.759 28.952 2.543 1.00 25.00 O ATOM 930 CB SER A 138 64.662 27.124 0.887 1.00 25.00 C ATOM 931 OG SER A 138 65.406 27.281 2.083 1.00 25.00 O ATOM 0 H SER A 138 62.979 26.584 -0.903 1.00 25.00 H new ATOM 0 HA SER A 138 62.970 26.433 2.028 1.00 25.00 H new ATOM 0 HB2 SER A 138 64.991 26.220 0.374 1.00 25.00 H new ATOM 0 HB3 SER A 138 64.868 27.962 0.221 1.00 25.00 H new ATOM 0 HG SER A 138 66.300 26.896 1.965 1.00 25.00 H new ATOM 937 N GLY A 139 61.890 29.059 0.474 1.00 25.00 N ATOM 938 CA GLY A 139 61.296 30.357 0.672 1.00 25.00 C ATOM 939 C GLY A 139 62.247 31.538 0.695 1.00 25.00 C ATOM 940 O GLY A 139 62.054 32.502 1.426 1.00 25.00 O ATOM 0 H GLY A 139 61.740 28.666 -0.455 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.565 30.522 -0.120 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.748 30.342 1.614 1.00 25.00 H new ATOM 944 N ILE A 140 63.312 31.427 -0.070 1.00 25.00 N ATOM 945 CA ILE A 140 64.451 32.389 -0.018 1.00 25.00 C ATOM 946 C ILE A 140 64.554 33.407 -1.176 1.00 25.00 C ATOM 947 O ILE A 140 64.155 33.121 -2.278 1.00 25.00 O ATOM 948 CB ILE A 140 65.788 31.577 0.072 1.00 25.00 C ATOM 949 CG1 ILE A 140 65.872 30.600 -1.141 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.862 30.759 1.458 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.200 29.913 -1.322 1.00 25.00 C ATOM 0 H ILE A 140 63.436 30.678 -0.752 1.00 25.00 H new ATOM 0 HA ILE A 140 64.261 33.001 0.864 1.00 25.00 H new ATOM 0 HB ILE A 140 66.632 32.267 0.044 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.100 29.839 -1.028 1.00 25.00 H new ATOM 0 HG13 ILE A 140 65.641 31.155 -2.050 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.798 30.201 1.502 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.815 31.456 2.295 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.023 30.065 1.516 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.155 29.257 -2.191 1.00 25.00 H new ATOM 0 HD12 ILE A 140 67.979 30.661 -1.472 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.429 29.324 -0.434 1.00 25.00 H new ATOM 963 N PRO A 141 65.189 34.600 -0.936 1.00 25.00 N ATOM 964 CA PRO A 141 65.434 35.451 -2.119 1.00 25.00 C ATOM 965 C PRO A 141 66.455 34.799 -3.026 1.00 25.00 C ATOM 966 O PRO A 141 67.610 34.559 -2.632 1.00 25.00 O ATOM 967 CB PRO A 141 66.013 36.741 -1.533 1.00 25.00 C ATOM 968 CG PRO A 141 65.814 36.668 -0.069 1.00 25.00 C ATOM 969 CD PRO A 141 65.775 35.205 0.268 1.00 25.00 C ATOM 0 HA PRO A 141 64.534 35.617 -2.711 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.071 36.836 -1.776 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.511 37.615 -1.949 1.00 25.00 H new ATOM 0 HG2 PRO A 141 66.624 37.170 0.461 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.887 37.161 0.224 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.771 34.812 0.472 1.00 25.00 H new ATOM 0 HD3 PRO A 141 65.168 35.011 1.152 1.00 25.00 H new ATOM 977 N ALA A 142 66.079 34.562 -4.281 1.00 25.00 N ATOM 978 CA ALA A 142 66.987 33.967 -5.252 1.00 25.00 C ATOM 979 C ALA A 142 68.227 34.857 -5.512 1.00 25.00 C ATOM 980 O ALA A 142 69.298 34.341 -5.882 1.00 25.00 O ATOM 981 CB ALA A 142 66.219 33.681 -6.575 1.00 25.00 C ATOM 0 H ALA A 142 65.151 34.774 -4.647 1.00 25.00 H new ATOM 0 HA ALA A 142 67.358 33.029 -4.840 1.00 25.00 H new ATOM 0 HB1 ALA A 142 66.899 33.236 -7.301 1.00 25.00 H new ATOM 0 HB2 ALA A 142 65.398 32.992 -6.377 1.00 25.00 H new ATOM 0 HB3 ALA A 142 65.822 34.614 -6.974 1.00 25.00 H new ATOM 987 N ALA A 143 68.095 36.155 -5.320 1.00 25.00 N ATOM 988 CA ALA A 143 69.171 37.094 -5.624 1.00 25.00 C ATOM 989 C ALA A 143 70.251 37.140 -4.540 1.00 25.00 C ATOM 990 O ALA A 143 71.349 37.657 -4.777 1.00 25.00 O ATOM 991 CB ALA A 143 68.571 38.492 -5.853 1.00 25.00 C ATOM 0 H ALA A 143 67.249 36.591 -4.953 1.00 25.00 H new ATOM 0 HA ALA A 143 69.668 36.745 -6.529 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.370 39.198 -6.080 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.871 38.455 -6.687 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.047 38.815 -4.953 1.00 25.00 H new ATOM 997 N GLU A 144 69.885 36.652 -3.367 1.00 25.00 N ATOM 998 CA GLU A 144 70.781 36.704 -2.196 1.00 25.00 C ATOM 999 C GLU A 144 71.462 35.343 -1.952 1.00 25.00 C ATOM 1000 O GLU A 144 71.886 35.054 -0.838 1.00 25.00 O ATOM 1001 CB GLU A 144 69.956 37.106 -0.971 1.00 25.00 C ATOM 1002 CG GLU A 144 69.400 38.579 -0.976 1.00 25.00 C ATOM 1003 CD GLU A 144 70.558 39.559 -0.725 1.00 25.00 C ATOM 1004 OE1 GLU A 144 71.218 39.450 0.347 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 70.811 40.428 -1.590 1.00 25.00 O1- ATOM 0 H GLU A 144 68.981 36.215 -3.188 1.00 25.00 H new ATOM 0 HA GLU A 144 71.567 37.436 -2.380 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.114 36.420 -0.882 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.572 36.973 -0.081 1.00 25.00 H new ATOM 0 HG2 GLU A 144 68.924 38.797 -1.932 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.637 38.695 -0.206 1.00 25.00 H new ATOM 1012 N SER A 145 71.496 34.472 -2.921 1.00 25.00 N ATOM 1013 CA SER A 145 72.021 33.114 -2.708 1.00 25.00 C ATOM 1014 C SER A 145 72.900 32.631 -3.856 1.00 25.00 C ATOM 1015 O SER A 145 72.879 33.110 -4.954 1.00 25.00 O ATOM 1016 CB SER A 145 70.903 32.105 -2.519 1.00 25.00 C ATOM 1017 OG SER A 145 70.055 32.457 -1.449 1.00 25.00 O ATOM 0 H SER A 145 71.172 34.658 -3.870 1.00 25.00 H new ATOM 0 HA SER A 145 72.625 33.183 -1.804 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.319 32.033 -3.437 1.00 25.00 H new ATOM 0 HB3 SER A 145 71.330 31.119 -2.335 1.00 25.00 H new ATOM 0 HG SER A 145 69.142 32.580 -1.782 1.00 25.00 H new ATOM 1023 N GLN A 146 73.698 31.632 -3.543 1.00 25.00 N ATOM 1024 CA GLN A 146 74.639 30.931 -4.463 1.00 25.00 C ATOM 1025 C GLN A 146 74.420 29.413 -4.238 1.00 25.00 C ATOM 1026 O GLN A 146 74.026 28.987 -3.170 1.00 25.00 O ATOM 1027 CB GLN A 146 76.086 31.279 -4.152 1.00 25.00 C ATOM 1028 CG GLN A 146 76.445 32.720 -4.542 1.00 25.00 C ATOM 1029 CD GLN A 146 77.947 33.052 -4.475 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.370 33.944 -3.773 1.00 25.00 O ATOM 1031 NE2 GLN A 146 78.769 32.248 -5.095 1.00 25.00 N ATOM 0 H GLN A 146 73.728 31.249 -2.598 1.00 25.00 H new ATOM 0 HA GLN A 146 74.448 31.230 -5.494 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.268 31.139 -3.087 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.743 30.589 -4.681 1.00 25.00 H new ATOM 0 HG2 GLN A 146 76.091 32.906 -5.556 1.00 25.00 H new ATOM 0 HG3 GLN A 146 75.906 33.404 -3.886 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.403 31.500 -5.684 1.00 25.00 H new ATOM 0 HE22 GLN A 146 79.776 32.368 -4.990 1.00 25.00 H new ATOM 1040 N ILE A 147 74.697 28.609 -5.239 1.00 25.00 N ATOM 1041 CA ILE A 147 74.496 27.159 -5.147 1.00 25.00 C ATOM 1042 C ILE A 147 75.753 26.434 -5.570 1.00 25.00 C ATOM 1043 O ILE A 147 76.428 26.858 -6.534 1.00 25.00 O ATOM 1044 CB ILE A 147 73.242 26.749 -5.987 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.932 25.294 -5.738 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.389 27.140 -7.535 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.577 24.799 -6.365 1.00 25.00 C ATOM 0 H ILE A 147 75.065 28.925 -6.136 1.00 25.00 H new ATOM 0 HA ILE A 147 74.300 26.869 -4.115 1.00 25.00 H new ATOM 0 HB ILE A 147 72.378 27.325 -5.656 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.745 24.689 -6.138 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.905 25.120 -4.662 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.492 26.834 -8.074 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.518 28.218 -7.627 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.257 26.634 -7.957 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.435 23.743 -6.137 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.751 25.375 -5.947 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.605 24.936 -7.446 1.00 25.00 H new ATOM 1059 N VAL A 148 76.135 25.447 -4.765 1.00 25.00 N ATOM 1060 CA VAL A 148 77.368 24.685 -4.931 1.00 25.00 C ATOM 1061 C VAL A 148 77.102 23.164 -4.730 1.00 25.00 C ATOM 1062 O VAL A 148 76.401 22.779 -3.803 1.00 25.00 O ATOM 1063 CB VAL A 148 78.392 25.167 -3.851 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.685 24.356 -3.911 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.694 26.677 -4.046 1.00 25.00 C ATOM 0 H VAL A 148 75.583 25.148 -3.961 1.00 25.00 H new ATOM 0 HA VAL A 148 77.757 24.843 -5.937 1.00 25.00 H new ATOM 0 HB VAL A 148 77.948 25.013 -2.868 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.376 24.715 -3.148 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.463 23.304 -3.733 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.140 24.469 -4.895 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.408 27.006 -3.291 1.00 25.00 H new ATOM 0 HG22 VAL A 148 79.115 26.839 -5.038 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.771 27.248 -3.946 1.00 25.00 H new ATOM 1075 N TYR A 149 77.721 22.293 -5.538 1.00 25.00 N ATOM 1076 CA TYR A 149 77.667 20.821 -5.372 1.00 25.00 C ATOM 1077 C TYR A 149 79.067 20.270 -5.608 1.00 25.00 C ATOM 1078 O TYR A 149 79.794 20.794 -6.419 1.00 25.00 O ATOM 1079 CB TYR A 149 76.666 20.255 -6.394 1.00 25.00 C ATOM 1080 CG TYR A 149 77.067 18.909 -6.952 1.00 25.00 C ATOM 1081 CD1 TYR A 149 77.086 17.750 -6.151 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.434 18.784 -8.290 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.465 16.466 -6.684 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.790 17.491 -8.861 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.799 16.364 -8.040 1.00 25.00 C ATOM 1086 OH TYR A 149 78.099 15.144 -8.545 1.00 25.00 O ATOM 0 H TYR A 149 78.282 22.587 -6.337 1.00 25.00 H new ATOM 0 HA TYR A 149 77.339 20.538 -4.372 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.688 20.166 -5.921 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.560 20.963 -7.216 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.809 17.826 -5.110 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.455 19.663 -8.917 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.491 15.595 -6.047 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.044 17.407 -9.907 1.00 25.00 H new ATOM 0 HH TYR A 149 77.995 15.159 -9.519 1.00 25.00 H new ATOM 1096 N ALA A 150 79.460 19.255 -4.829 1.00 25.00 N ATOM 1097 CA ALA A 150 80.810 18.653 -4.888 1.00 25.00 C ATOM 1098 C ALA A 150 81.909 19.742 -4.782 1.00 25.00 C ATOM 1099 O ALA A 150 82.941 19.698 -5.429 1.00 25.00 O ATOM 1100 CB ALA A 150 81.014 17.767 -6.141 1.00 25.00 C ATOM 0 H ALA A 150 78.852 18.821 -4.134 1.00 25.00 H new ATOM 0 HA ALA A 150 80.899 17.993 -4.025 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.022 17.351 -6.133 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.286 16.955 -6.135 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.878 18.370 -7.039 1.00 25.00 H new ATOM 1106 N GLU A 151 81.617 20.742 -3.925 1.00 25.00 N ATOM 1107 CA GLU A 151 82.465 21.928 -3.672 1.00 25.00 C ATOM 1108 C GLU A 151 82.640 22.884 -4.891 1.00 25.00 C ATOM 1109 O GLU A 151 83.384 23.865 -4.824 1.00 25.00 O ATOM 1110 CB GLU A 151 83.847 21.533 -3.100 1.00 25.00 C ATOM 1111 CG GLU A 151 83.776 20.567 -1.924 1.00 25.00 C ATOM 1112 CD GLU A 151 85.172 20.166 -1.390 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.046 19.718 -2.223 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.390 20.321 -0.154 1.00 25.00 O1- ATOM 0 H GLU A 151 80.759 20.748 -3.373 1.00 25.00 H new ATOM 0 HA GLU A 151 81.911 22.496 -2.925 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.442 21.081 -3.894 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.370 22.436 -2.785 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.202 21.025 -1.118 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.238 19.670 -2.229 1.00 25.00 H new ATOM 1121 N ARG A 152 81.946 22.621 -5.999 1.00 25.00 N ATOM 1122 CA ARG A 152 82.054 23.423 -7.211 1.00 25.00 C ATOM 1123 C ARG A 152 80.746 24.159 -7.448 1.00 25.00 C ATOM 1124 O ARG A 152 79.648 23.616 -7.177 1.00 25.00 O ATOM 1125 CB ARG A 152 82.408 22.540 -8.417 1.00 25.00 C ATOM 1126 CG ARG A 152 83.920 22.307 -8.663 1.00 25.00 C ATOM 1127 CD ARG A 152 84.600 21.501 -7.513 1.00 25.00 C ATOM 1128 NE ARG A 152 85.997 21.193 -7.801 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.798 20.466 -7.033 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.362 19.955 -5.913 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 88.011 20.238 -7.412 1.00 25.00 N ATOM 0 H ARG A 152 81.292 21.842 -6.078 1.00 25.00 H new ATOM 0 HA ARG A 152 82.855 24.152 -7.087 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.927 21.571 -8.287 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.979 22.991 -9.312 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.053 21.772 -9.604 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.419 23.270 -8.771 1.00 25.00 H new ATOM 0 HD2 ARG A 152 84.540 22.073 -6.587 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.052 20.573 -7.350 1.00 25.00 H new ATOM 0 HE ARG A 152 86.390 21.568 -8.664 1.00 25.00 H new ATOM 0 HH11 ARG A 152 85.397 20.113 -5.622 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.986 19.397 -5.330 1.00 25.00 H new ATOM 0 HH21 ARG A 152 88.348 20.616 -8.297 1.00 25.00 H new ATOM 0 HH22 ARG A 152 88.632 19.680 -6.826 1.00 25.00 H new ATOM 1145 N PRO A 153 80.788 25.383 -7.929 1.00 25.00 N ATOM 1146 CA PRO A 153 79.548 26.117 -8.203 1.00 25.00 C ATOM 1147 C PRO A 153 78.774 25.538 -9.388 1.00 25.00 C ATOM 1148 O PRO A 153 79.347 25.101 -10.380 1.00 25.00 O ATOM 1149 CB PRO A 153 80.018 27.532 -8.493 1.00 25.00 C ATOM 1150 CG PRO A 153 81.386 27.331 -9.072 1.00 25.00 C ATOM 1151 CD PRO A 153 81.959 26.223 -8.246 1.00 25.00 C ATOM 0 HA PRO A 153 78.851 26.061 -7.366 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.356 28.040 -9.194 1.00 25.00 H new ATOM 0 HB3 PRO A 153 80.050 28.138 -7.588 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.339 27.061 -10.127 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.988 28.237 -9.001 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.716 25.664 -8.796 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.436 26.602 -7.342 1.00 25.00 H new ATOM 1159 N LEU A 154 77.455 25.585 -9.284 1.00 25.00 N ATOM 1160 CA LEU A 154 76.545 25.125 -10.340 1.00 25.00 C ATOM 1161 C LEU A 154 76.072 26.305 -11.199 1.00 0.00 C ATOM 1162 O LEU A 154 75.160 27.008 -10.798 1.00 25.00 O ATOM 1163 CB LEU A 154 75.359 24.414 -9.687 1.00 25.00 C ATOM 1164 CG LEU A 154 75.675 23.020 -9.137 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.490 22.517 -8.297 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.939 22.042 -10.246 1.00 25.00 C ATOM 0 H LEU A 154 76.974 25.946 -8.460 1.00 25.00 H new ATOM 0 HA LEU A 154 77.066 24.431 -10.999 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.983 25.035 -8.873 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.556 24.328 -10.419 1.00 25.00 H new ATOM 0 HG LEU A 154 76.571 23.096 -8.521 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.716 21.525 -7.906 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.315 23.202 -7.468 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.597 22.467 -8.921 1.00 25.00 H new ATOM 0 HD21 LEU A 154 76.160 21.062 -9.822 1.00 25.00 H new ATOM 0 HD22 LEU A 154 75.059 21.971 -10.885 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.790 22.382 -10.836 1.00 25.00 H new ATOM 1178 N THR A 155 76.723 26.576 -12.321 1.00 25.00 N ATOM 1179 CA THR A 155 76.417 27.801 -13.093 1.00 25.00 C ATOM 1180 C THR A 155 75.730 27.611 -14.453 1.00 25.00 C ATOM 1181 O THR A 155 74.964 28.421 -14.892 1.00 25.00 O ATOM 1182 CB THR A 155 77.694 28.589 -13.276 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.679 27.775 -13.945 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.316 29.013 -11.928 1.00 25.00 C ATOM 0 H THR A 155 77.453 25.987 -12.722 1.00 25.00 H new ATOM 0 HA THR A 155 75.674 28.330 -12.496 1.00 25.00 H new ATOM 0 HB THR A 155 77.431 29.474 -13.855 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.504 28.291 -14.063 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.231 29.576 -12.111 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.609 29.637 -11.381 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.548 28.126 -11.339 1.00 25.00 H new ATOM 1192 N ASP A 156 76.007 26.504 -15.109 1.00 25.00 N ATOM 1193 CA ASP A 156 75.453 26.227 -16.442 1.00 25.00 C ATOM 1194 C ASP A 156 74.060 25.731 -16.272 1.00 25.00 C ATOM 1195 O ASP A 156 73.869 24.549 -16.099 1.00 25.00 O ATOM 1196 CB ASP A 156 76.323 25.251 -17.175 1.00 25.00 C ATOM 1197 CG ASP A 156 77.317 25.955 -18.075 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.827 27.051 -17.667 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 77.525 25.463 -19.207 1.00 25.00 O1- ATOM 0 H ASP A 156 76.615 25.769 -14.748 1.00 25.00 H new ATOM 0 HA ASP A 156 75.429 27.133 -17.048 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.858 24.630 -16.457 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.700 24.584 -17.771 1.00 25.00 H new ATOM 1204 N ASN A 157 73.108 26.631 -16.229 1.00 25.00 N ATOM 1205 CA ASN A 157 71.711 26.315 -15.901 1.00 25.00 C ATOM 1206 C ASN A 157 70.952 25.441 -16.927 1.00 25.00 C ATOM 1207 O ASN A 157 69.898 24.912 -16.603 1.00 25.00 O ATOM 1208 CB ASN A 157 70.964 27.615 -15.719 1.00 25.00 C ATOM 1209 CG ASN A 157 70.765 28.354 -17.007 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.623 28.190 -17.627 1.00 25.00 O flip ATOM 1211 ND2 ASN A 157 71.665 29.034 -17.482 1.00 25.00 N flip ATOM 0 H ASN A 157 73.268 27.620 -16.421 1.00 25.00 H new ATOM 0 HA ASN A 157 71.752 25.711 -14.995 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.993 27.411 -15.268 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.512 28.249 -15.022 1.00 25.00 H new ATOM 0 HD21 ASN A 157 72.543 29.143 -16.975 1.00 25.00 H new ATOM 0 HD22 ASN A 157 71.537 29.492 -18.385 1.00 25.00 H new ATOM 1218 N HIS A 158 71.472 25.319 -18.159 1.00 25.00 N ATOM 1219 CA HIS A 158 70.795 24.553 -19.222 1.00 25.00 C ATOM 1220 C HIS A 158 71.046 23.072 -19.192 1.00 25.00 C ATOM 1221 O HIS A 158 70.345 22.263 -19.776 1.00 25.00 O ATOM 1222 CB HIS A 158 71.249 25.167 -20.577 1.00 25.00 C ATOM 1223 CG HIS A 158 70.720 26.547 -20.795 1.00 25.00 C ATOM 1224 ND1 HIS A 158 71.453 27.702 -20.688 1.00 25.00 N ATOM 1225 CD2 HIS A 158 69.449 26.976 -21.075 1.00 25.00 C ATOM 1226 CE1 HIS A 158 70.656 28.757 -20.831 1.00 25.00 C ATOM 1227 NE2 HIS A 158 69.412 28.360 -21.102 1.00 25.00 N ATOM 0 H HIS A 158 72.356 25.739 -18.445 1.00 25.00 H new ATOM 0 HA HIS A 158 69.719 24.637 -19.069 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.338 25.191 -20.613 1.00 25.00 H new ATOM 0 HB3 HIS A 158 70.917 24.523 -21.391 1.00 25.00 H new ATOM 0 HD2 HIS A 158 68.601 26.330 -21.249 1.00 25.00 H new ATOM 0 HE1 HIS A 158 70.971 29.786 -20.741 1.00 25.00 H new ATOM 0 HE2 HIS A 158 68.603 28.952 -21.290 1.00 25.00 H new ATOM 1235 N ARG A 159 72.117 22.717 -18.481 1.00 25.00 N ATOM 1236 CA ARG A 159 72.490 21.314 -18.363 1.00 25.00 C ATOM 1237 C ARG A 159 71.534 20.566 -17.414 1.00 25.00 C ATOM 1238 O ARG A 159 71.029 21.104 -16.419 1.00 25.00 O ATOM 1239 CB ARG A 159 73.938 21.225 -17.869 1.00 25.00 C ATOM 1240 CG ARG A 159 75.028 21.500 -18.955 1.00 25.00 C ATOM 1241 CD ARG A 159 76.438 21.135 -18.464 1.00 25.00 C ATOM 1242 NE ARG A 159 77.350 20.703 -19.531 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.109 21.531 -20.264 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.154 22.833 -20.119 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 78.822 21.017 -21.235 1.00 25.00 N ATOM 0 H ARG A 159 72.728 23.369 -17.989 1.00 25.00 H new ATOM 0 HA ARG A 159 72.412 20.836 -19.339 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.072 21.937 -17.054 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.103 20.231 -17.454 1.00 25.00 H new ATOM 0 HG2 ARG A 159 74.797 20.927 -19.853 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.003 22.553 -19.234 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.870 21.999 -17.959 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.359 20.339 -17.724 1.00 25.00 H new ATOM 0 HE ARG A 159 77.410 19.704 -19.728 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.583 23.287 -19.406 1.00 25.00 H new ATOM 0 HH12 ARG A 159 78.760 23.392 -20.719 1.00 25.00 H new ATOM 0 HH21 ARG A 159 78.790 20.014 -21.415 1.00 25.00 H new ATOM 0 HH22 ARG A 159 79.410 21.620 -21.811 1.00 25.00 H new ATOM 1259 N SER A 160 71.353 19.307 -17.730 1.00 25.00 N ATOM 1260 CA SER A 160 70.539 18.405 -16.896 1.00 25.00 C ATOM 1261 C SER A 160 71.341 17.986 -15.700 1.00 25.00 C ATOM 1262 O SER A 160 72.570 17.938 -15.755 1.00 25.00 O ATOM 1263 CB SER A 160 70.131 17.177 -17.706 1.00 25.00 C ATOM 1264 OG SER A 160 69.374 17.623 -18.834 1.00 25.00 O ATOM 0 H SER A 160 71.753 18.866 -18.558 1.00 25.00 H new ATOM 0 HA SER A 160 69.638 18.923 -16.567 1.00 25.00 H new ATOM 0 HB2 SER A 160 71.013 16.626 -18.033 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.538 16.497 -17.094 1.00 25.00 H new ATOM 0 HG SER A 160 69.102 16.850 -19.371 1.00 25.00 H new ATOM 1270 N LEU A 161 70.647 17.702 -14.603 1.00 25.00 N ATOM 1271 CA LEU A 161 71.312 17.396 -13.355 1.00 25.00 C ATOM 1272 C LEU A 161 72.097 16.093 -13.442 1.00 25.00 C ATOM 1273 O LEU A 161 73.212 15.960 -12.899 1.00 25.00 O ATOM 1274 CB LEU A 161 70.280 17.263 -12.241 1.00 25.00 C ATOM 1275 CG LEU A 161 69.949 18.562 -11.524 1.00 25.00 C ATOM 1276 CD1 LEU A 161 69.131 19.541 -12.259 1.00 25.00 C ATOM 1277 CD2 LEU A 161 69.168 18.139 -10.268 1.00 25.00 C ATOM 0 H LEU A 161 69.628 17.679 -14.559 1.00 25.00 H new ATOM 0 HA LEU A 161 72.005 18.211 -13.144 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.362 16.852 -12.662 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.646 16.543 -11.509 1.00 25.00 H new ATOM 0 HG LEU A 161 70.892 19.080 -11.352 1.00 25.00 H new ATOM 0 HD11 LEU A 161 68.968 20.420 -11.636 1.00 25.00 H new ATOM 0 HD12 LEU A 161 69.648 19.834 -13.173 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.170 19.094 -12.514 1.00 25.00 H new ATOM 0 HD21 LEU A 161 68.892 19.025 -9.695 1.00 25.00 H new ATOM 0 HD22 LEU A 161 68.266 17.603 -10.564 1.00 25.00 H new ATOM 0 HD23 LEU A 161 69.791 17.489 -9.654 1.00 25.00 H new ATOM 1289 N ALA A 162 71.549 15.174 -14.190 1.00 25.00 N ATOM 1290 CA ALA A 162 72.216 13.901 -14.423 1.00 25.00 C ATOM 1291 C ALA A 162 73.592 14.133 -15.080 1.00 25.00 C ATOM 1292 O ALA A 162 74.492 13.345 -14.915 1.00 25.00 O ATOM 1293 CB ALA A 162 71.331 12.985 -15.293 1.00 25.00 C ATOM 0 H ALA A 162 70.645 15.273 -14.652 1.00 25.00 H new ATOM 0 HA ALA A 162 72.377 13.404 -13.466 1.00 25.00 H new ATOM 0 HB1 ALA A 162 71.842 12.037 -15.459 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.385 12.803 -14.784 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.140 13.467 -16.252 1.00 25.00 H new ATOM 1299 N SER A 163 73.757 15.239 -15.821 1.00 25.00 N ATOM 1300 CA SER A 163 75.001 15.556 -16.508 1.00 25.00 C ATOM 1301 C SER A 163 76.085 16.066 -15.519 1.00 25.00 C ATOM 1302 O SER A 163 77.269 16.035 -15.835 1.00 25.00 O ATOM 1303 CB SER A 163 74.766 16.585 -17.629 1.00 25.00 C ATOM 1304 OG SER A 163 75.120 16.015 -18.901 1.00 25.00 O ATOM 0 H SER A 163 73.024 15.936 -15.956 1.00 25.00 H new ATOM 0 HA SER A 163 75.367 14.634 -16.959 1.00 25.00 H new ATOM 0 HB2 SER A 163 73.721 16.894 -17.638 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.361 17.479 -17.444 1.00 25.00 H new ATOM 0 HG SER A 163 74.966 16.675 -19.609 1.00 25.00 H new ATOM 1310 N TYR A 164 75.704 16.455 -14.344 1.00 25.00 N ATOM 1311 CA TYR A 164 76.639 16.774 -13.271 1.00 25.00 C ATOM 1312 C TYR A 164 76.929 15.505 -12.429 1.00 25.00 C ATOM 1313 O TYR A 164 77.689 15.539 -11.472 1.00 25.00 O ATOM 1314 CB TYR A 164 76.046 17.884 -12.374 1.00 25.00 C ATOM 1315 CG TYR A 164 75.943 19.229 -13.067 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.052 20.087 -13.080 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.757 19.643 -13.704 1.00 25.00 C ATOM 1318 CE1 TYR A 164 76.999 21.359 -13.727 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.722 20.869 -14.329 1.00 25.00 C ATOM 1320 CZ TYR A 164 75.880 21.727 -14.327 1.00 25.00 C ATOM 1321 OH TYR A 164 75.892 22.939 -14.976 1.00 25.00 O ATOM 0 H TYR A 164 74.724 16.567 -14.082 1.00 25.00 H new ATOM 0 HA TYR A 164 77.574 17.130 -13.704 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.054 17.579 -12.040 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.665 17.989 -11.483 1.00 25.00 H new ATOM 0 HD1 TYR A 164 77.965 19.780 -12.591 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.885 19.006 -13.702 1.00 25.00 H new ATOM 0 HE1 TYR A 164 77.860 22.011 -13.726 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.818 21.191 -14.825 1.00 25.00 H new ATOM 0 HH TYR A 164 75.025 23.088 -15.407 1.00 25.00 H new ATOM 1331 N GLY A 165 76.276 14.409 -12.784 1.00 25.00 N ATOM 1332 CA GLY A 165 76.402 13.202 -12.001 1.00 25.00 C ATOM 1333 C GLY A 165 75.672 13.364 -10.657 1.00 25.00 C ATOM 1334 O GLY A 165 75.978 12.647 -9.693 1.00 25.00 O ATOM 0 H GLY A 165 75.664 14.335 -13.597 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.985 12.358 -12.550 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.455 12.981 -11.827 1.00 25.00 H new ATOM 1338 N LEU A 166 74.716 14.299 -10.635 1.00 25.00 N ATOM 1339 CA LEU A 166 73.891 14.443 -9.450 1.00 25.00 C ATOM 1340 C LEU A 166 72.958 13.237 -9.363 1.00 25.00 C ATOM 1341 O LEU A 166 71.862 13.295 -9.958 1.00 25.00 O ATOM 1342 CB LEU A 166 73.065 15.728 -9.517 1.00 25.00 C ATOM 1343 CG LEU A 166 73.832 16.978 -9.029 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.160 18.226 -9.452 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.984 16.926 -7.511 1.00 25.00 C ATOM 0 H LEU A 166 74.505 14.942 -11.398 1.00 25.00 H new ATOM 0 HA LEU A 166 74.530 14.496 -8.569 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.740 15.889 -10.545 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.165 15.605 -8.914 1.00 25.00 H new ATOM 0 HG LEU A 166 74.822 16.977 -9.486 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.727 19.085 -9.092 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.105 18.259 -10.540 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.153 18.256 -9.036 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.525 17.808 -7.169 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.998 16.903 -7.047 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.538 16.030 -7.231 1.00 25.00 H new ATOM 1357 N LYS A 167 73.389 12.199 -8.655 1.00 25.00 N ATOM 1358 CA LYS A 167 72.588 10.987 -8.491 1.00 25.00 C ATOM 1359 C LYS A 167 71.866 10.984 -7.159 1.00 25.00 C ATOM 1360 O LYS A 167 72.110 11.809 -6.298 1.00 25.00 O ATOM 1361 CB LYS A 167 73.481 9.732 -8.593 1.00 25.00 C ATOM 1362 CG LYS A 167 74.572 9.701 -7.535 1.00 25.00 C ATOM 1363 CD LYS A 167 75.547 8.552 -7.689 1.00 25.00 C ATOM 1364 CE LYS A 167 76.476 8.595 -6.439 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.145 9.945 -6.279 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.293 12.171 -8.183 1.00 25.00 H new ATOM 0 HA LYS A 167 71.847 10.971 -9.290 1.00 25.00 H new ATOM 0 HB2 LYS A 167 72.861 8.841 -8.496 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.938 9.696 -9.582 1.00 25.00 H new ATOM 0 HG2 LYS A 167 75.124 10.640 -7.570 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.108 9.641 -6.551 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.019 7.600 -7.749 1.00 25.00 H new ATOM 0 HD3 LYS A 167 76.126 8.654 -8.607 1.00 25.00 H new ATOM 0 HE2 LYS A 167 75.893 8.370 -5.546 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.238 7.820 -6.526 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 78.054 9.826 -5.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 77.310 10.364 -7.216 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 76.531 10.573 -5.722 1.00 25.00 H new ATOM 1379 N ASP A 168 70.924 10.036 -7.014 1.00 25.00 N ATOM 1380 CA ASP A 168 70.148 9.871 -5.805 1.00 25.00 C ATOM 1381 C ASP A 168 71.018 9.751 -4.570 1.00 25.00 C ATOM 1382 O ASP A 168 71.831 8.866 -4.479 1.00 25.00 O ATOM 1383 CB ASP A 168 69.116 8.700 -5.923 1.00 25.00 C ATOM 1384 CG ASP A 168 69.726 7.404 -6.491 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.240 7.404 -7.649 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.586 6.365 -5.791 1.00 25.00 O1- ATOM 0 H ASP A 168 70.690 9.366 -7.746 1.00 25.00 H new ATOM 0 HA ASP A 168 69.569 10.786 -5.681 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.696 8.494 -4.938 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.291 9.015 -6.562 1.00 25.00 H new ATOM 1391 N GLY A 169 70.838 10.690 -3.633 1.00 25.00 N ATOM 1392 CA GLY A 169 71.562 10.666 -2.378 1.00 25.00 C ATOM 1393 C GLY A 169 72.648 11.692 -2.291 1.00 25.00 C ATOM 1394 O GLY A 169 73.189 11.901 -1.233 1.00 25.00 O ATOM 0 H GLY A 169 70.193 11.474 -3.731 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.859 10.823 -1.560 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.997 9.676 -2.238 1.00 25.00 H new ATOM 1398 N ASP A 170 72.895 12.406 -3.396 1.00 25.00 N ATOM 1399 CA ASP A 170 73.806 13.511 -3.425 1.00 25.00 C ATOM 1400 C ASP A 170 73.206 14.744 -2.740 1.00 25.00 C ATOM 1401 O ASP A 170 71.992 14.992 -2.638 1.00 25.00 O ATOM 1402 CB ASP A 170 74.189 13.872 -4.850 1.00 25.00 C ATOM 1403 CG ASP A 170 75.203 12.893 -5.474 1.00 25.00 C ATOM 1404 OD1 ASP A 170 75.709 12.025 -4.720 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.481 12.993 -6.699 1.00 25.00 O1- ATOM 0 H ASP A 170 72.453 12.215 -4.295 1.00 25.00 H new ATOM 0 HA ASP A 170 74.699 13.199 -2.883 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.290 13.895 -5.466 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.610 14.877 -4.862 1.00 25.00 H new ATOM 1410 N VAL A 171 74.110 15.518 -2.198 1.00 25.00 N ATOM 1411 CA VAL A 171 73.807 16.666 -1.399 1.00 25.00 C ATOM 1412 C VAL A 171 74.308 17.904 -2.119 1.00 25.00 C ATOM 1413 O VAL A 171 75.507 17.990 -2.484 1.00 25.00 O ATOM 1414 CB VAL A 171 74.513 16.594 -0.025 1.00 25.00 C ATOM 1415 CG1 VAL A 171 74.223 17.857 0.781 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.006 15.343 0.722 1.00 25.00 C ATOM 0 H VAL A 171 75.111 15.356 -2.308 1.00 25.00 H new ATOM 0 HA VAL A 171 72.729 16.701 -1.243 1.00 25.00 H new ATOM 0 HB VAL A 171 75.592 16.524 -0.162 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.725 17.796 1.747 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.588 18.728 0.237 1.00 25.00 H new ATOM 0 HG13 VAL A 171 73.148 17.951 0.936 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.494 15.277 1.694 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.927 15.415 0.862 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.237 14.452 0.138 1.00 25.00 H new ATOM 1426 N VAL A 172 73.421 18.858 -2.266 1.00 25.00 N ATOM 1427 CA VAL A 172 73.722 20.115 -2.911 1.00 25.00 C ATOM 1428 C VAL A 172 73.681 21.181 -1.805 1.00 25.00 C ATOM 1429 O VAL A 172 72.723 21.231 -1.044 1.00 25.00 O ATOM 1430 CB VAL A 172 72.676 20.465 -4.023 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.018 21.771 -4.652 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.567 19.315 -5.090 1.00 25.00 C ATOM 0 H VAL A 172 72.458 18.783 -1.938 1.00 25.00 H new ATOM 0 HA VAL A 172 74.694 20.064 -3.402 1.00 25.00 H new ATOM 0 HB VAL A 172 71.694 20.557 -3.559 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.285 22.006 -5.424 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.010 22.554 -3.893 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.010 21.711 -5.100 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.833 19.590 -5.847 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.537 19.164 -5.563 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.255 18.393 -4.600 1.00 25.00 H new ATOM 1442 N ILE A 173 74.692 22.013 -1.709 1.00 25.00 N ATOM 1443 CA ILE A 173 74.794 23.019 -0.668 1.00 25.00 C ATOM 1444 C ILE A 173 74.436 24.387 -1.271 1.00 25.00 C ATOM 1445 O ILE A 173 74.978 24.816 -2.308 1.00 25.00 O ATOM 1446 CB ILE A 173 76.200 23.032 0.010 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.432 21.670 0.682 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.337 24.154 1.147 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.817 21.447 1.356 1.00 25.00 C ATOM 0 H ILE A 173 75.479 22.013 -2.358 1.00 25.00 H new ATOM 0 HA ILE A 173 74.090 22.777 0.128 1.00 25.00 H new ATOM 0 HB ILE A 173 76.929 23.246 -0.772 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.660 21.528 1.438 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.290 20.892 -0.068 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.336 24.113 1.580 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.172 25.138 0.709 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.596 23.975 1.926 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.853 20.449 1.792 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.605 21.545 0.609 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.965 22.191 2.139 1.00 25.00 H new ATOM 1461 N LEU A 174 73.553 25.106 -0.643 1.00 25.00 N ATOM 1462 CA LEU A 174 73.145 26.416 -1.097 1.00 25.00 C ATOM 1463 C LEU A 174 73.558 27.378 0.008 1.00 25.00 C ATOM 1464 O LEU A 174 73.430 27.054 1.193 1.00 25.00 O ATOM 1465 CB LEU A 174 71.616 26.433 -1.330 1.00 25.00 C ATOM 1466 CG LEU A 174 71.087 27.798 -1.772 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.956 27.648 -2.785 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.612 28.608 -0.551 1.00 25.00 C ATOM 0 H LEU A 174 73.086 24.801 0.211 1.00 25.00 H new ATOM 0 HA LEU A 174 73.608 26.696 -2.043 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.362 25.690 -2.087 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.112 26.136 -0.410 1.00 25.00 H new ATOM 0 HG LEU A 174 71.902 28.337 -2.256 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.600 28.635 -3.081 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.322 27.116 -3.663 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.137 27.086 -2.336 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.238 29.577 -0.881 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.815 28.066 -0.042 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.446 28.755 0.135 1.00 25.00 H new ATOM 1480 N ARG A 175 74.117 28.508 -0.356 1.00 25.00 N ATOM 1481 CA ARG A 175 74.576 29.507 0.610 1.00 25.00 C ATOM 1482 C ARG A 175 73.824 30.807 0.380 1.00 25.00 C ATOM 1483 O ARG A 175 74.092 31.545 -0.541 1.00 25.00 O ATOM 1484 CB ARG A 175 76.070 29.741 0.526 1.00 25.00 C ATOM 1485 CG ARG A 175 76.872 28.556 0.986 1.00 25.00 C ATOM 1486 CD ARG A 175 78.375 28.790 0.865 1.00 25.00 C ATOM 1487 NE ARG A 175 79.111 27.704 1.547 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.672 27.793 2.772 1.00 25.00 C ATOM 1489 NH1 ARG A 175 79.708 28.909 3.468 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.202 26.728 3.306 1.00 25.00 N ATOM 0 H ARG A 175 74.271 28.771 -1.329 1.00 25.00 H new ATOM 0 HA ARG A 175 74.371 29.129 1.611 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.339 29.978 -0.503 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.332 30.608 1.132 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.624 28.333 2.024 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.594 27.682 0.397 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.662 28.831 -0.186 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.639 29.752 1.305 1.00 25.00 H new ATOM 0 HE ARG A 175 79.202 26.817 1.053 1.00 25.00 H new ATOM 0 HH11 ARG A 175 79.299 29.762 3.086 1.00 25.00 H new ATOM 0 HH12 ARG A 175 80.145 28.921 4.390 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.189 25.843 2.799 1.00 25.00 H new ATOM 0 HH22 ARG A 175 80.629 26.780 4.231 1.00 25.00 H new ATOM 1504 N GLN A 176 72.929 31.132 1.318 1.00 25.00 N ATOM 1505 CA GLN A 176 72.147 32.395 1.269 1.00 25.00 C ATOM 1506 C GLN A 176 72.885 33.467 2.017 1.00 25.00 C ATOM 1507 O GLN A 176 73.212 33.338 3.191 1.00 25.00 O ATOM 1508 CB GLN A 176 70.729 32.108 1.835 1.00 25.00 C ATOM 1509 CG GLN A 176 69.850 33.380 1.868 1.00 25.00 C ATOM 1510 CD GLN A 176 68.630 33.141 2.706 1.00 25.00 C ATOM 1511 OE1 GLN A 176 68.326 32.086 3.136 1.00 25.00 O ATOM 1512 NE2 GLN A 176 67.924 34.194 3.041 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.296 34.381 1.357 1.00 25.00 O ATOM 0 H GLN A 176 72.720 30.545 2.125 1.00 25.00 H new ATOM 0 HA GLN A 176 72.027 32.760 0.249 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.242 31.347 1.225 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.816 31.701 2.843 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.421 34.216 2.273 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.557 33.655 0.855 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.175 35.113 2.677 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.124 34.094 3.666 1.00 25.00 H new