USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 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 160 SER OG : rot 150:sc= 0.0155 USER MOD Set 1.2: A 163 SER OG : rot -25:sc= 1.26 USER MOD Set 2.1: A 100 HIS : no HD1:sc= -0.357 K(o=-0.6,f=-1.3) USER MOD Set 2.2: A 120 GLN : amide:sc= -0.243 K(o=-0.6,f=-2!) USER MOD Set 3.1: A 107 CYS SG : rot -130:sc= 0.532 USER MOD Set 3.2: A 138 SER OG : rot 140:sc= 0.321 USER MOD Single : A 101 MET CE :methyl -164:sc= -0.469 (180deg=-0.82) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -140:sc=-0.00441 USER MOD Single : A 116 THR OG1 : rot 32:sc= 0.948 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 129 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.88) USER MOD Single : A 134 CYS SG : rot 68:sc= 0.665 USER MOD Single : A 145 SER OG : rot -89:sc= 0.21 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 TYR OH : rot 19:sc= 1.32 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.3) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 TYR OH : rot 156:sc= 0.62 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 1.12 K(o=1.1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 62.448 8.666 -11.588 1.00 25.00 N ATOM 307 CA HIS A 100 62.670 9.923 -10.881 1.00 25.00 C ATOM 308 C HIS A 100 63.858 9.651 -9.976 1.00 25.00 C ATOM 309 O HIS A 100 64.310 8.505 -9.907 1.00 25.00 O ATOM 310 CB HIS A 100 61.440 10.291 -10.039 1.00 25.00 C ATOM 311 CG HIS A 100 61.071 9.250 -9.027 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.119 8.276 -9.218 1.00 25.00 N ATOM 313 CD2 HIS A 100 61.547 9.032 -7.769 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.051 7.538 -8.116 1.00 25.00 C ATOM 315 NE2 HIS A 100 60.894 7.958 -7.195 1.00 25.00 N ATOM 0 HA HIS A 100 62.847 10.753 -11.565 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.631 11.233 -9.525 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.592 10.456 -10.703 1.00 25.00 H new ATOM 0 HD2 HIS A 100 62.321 9.613 -7.291 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.386 6.696 -7.990 1.00 25.00 H new ATOM 0 HE2 HIS A 100 61.034 7.574 -6.261 1.00 25.00 H new ATOM 323 N MET A 101 64.343 10.668 -9.281 1.00 25.00 N ATOM 324 CA MET A 101 65.420 10.505 -8.310 1.00 25.00 C ATOM 325 C MET A 101 65.293 11.588 -7.242 1.00 25.00 C ATOM 326 O MET A 101 64.721 12.655 -7.494 1.00 25.00 O ATOM 327 CB MET A 101 66.782 10.599 -9.005 1.00 25.00 C ATOM 328 CG MET A 101 67.064 11.955 -9.607 1.00 25.00 C ATOM 329 SD MET A 101 68.593 11.984 -10.528 1.00 25.00 S ATOM 330 CE MET A 101 68.703 13.729 -10.825 1.00 25.00 C ATOM 0 H MET A 101 64.005 11.626 -9.371 1.00 25.00 H new ATOM 0 HA MET A 101 65.345 9.523 -7.843 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.565 10.361 -8.285 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.832 9.845 -9.791 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.241 12.236 -10.264 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.107 12.701 -8.813 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.427 13.918 -11.617 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.727 14.109 -11.127 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.022 14.234 -9.913 1.00 25.00 H new ATOM 340 N LEU A 102 65.817 11.306 -6.060 1.00 25.00 N ATOM 341 CA LEU A 102 65.756 12.222 -4.929 1.00 25.00 C ATOM 342 C LEU A 102 67.114 12.890 -4.695 1.00 25.00 C ATOM 343 O LEU A 102 68.133 12.211 -4.589 1.00 25.00 O ATOM 344 CB LEU A 102 65.356 11.430 -3.679 1.00 25.00 C ATOM 345 CG LEU A 102 64.997 12.257 -2.436 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.592 12.846 -2.561 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.074 11.380 -1.191 1.00 25.00 C ATOM 0 H LEU A 102 66.299 10.431 -5.856 1.00 25.00 H new ATOM 0 HA LEU A 102 65.023 13.001 -5.140 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.501 10.802 -3.931 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.177 10.762 -3.420 1.00 25.00 H new ATOM 0 HG LEU A 102 65.711 13.076 -2.352 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.361 13.427 -1.669 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.545 13.492 -3.437 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.867 12.039 -2.666 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.818 11.972 -0.312 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.373 10.551 -1.286 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.086 10.989 -1.083 1.00 25.00 H new ATOM 359 N LEU A 103 67.126 14.209 -4.573 1.00 25.00 N ATOM 360 CA LEU A 103 68.355 14.950 -4.255 1.00 25.00 C ATOM 361 C LEU A 103 68.179 15.688 -2.949 1.00 25.00 C ATOM 362 O LEU A 103 67.095 16.176 -2.657 1.00 25.00 O ATOM 363 CB LEU A 103 68.687 15.973 -5.344 1.00 25.00 C ATOM 364 CG LEU A 103 69.319 15.438 -6.634 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.524 16.596 -7.593 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.659 14.776 -6.363 1.00 25.00 C ATOM 0 H LEU A 103 66.300 14.797 -4.688 1.00 25.00 H new ATOM 0 HA LEU A 103 69.169 14.228 -4.185 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.768 16.496 -5.609 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.363 16.714 -4.918 1.00 25.00 H new ATOM 0 HG LEU A 103 68.651 14.691 -7.063 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.973 16.229 -8.516 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.562 17.058 -7.816 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.184 17.334 -7.137 1.00 25.00 H new ATOM 0 HD21 LEU A 103 71.079 14.408 -7.299 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.341 15.502 -5.920 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.520 13.942 -5.675 1.00 25.00 H new ATOM 378 N THR A 104 69.249 15.796 -2.177 1.00 25.00 N ATOM 379 CA THR A 104 69.210 16.497 -0.897 1.00 25.00 C ATOM 380 C THR A 104 69.775 17.902 -1.071 1.00 25.00 C ATOM 381 O THR A 104 70.751 18.108 -1.785 1.00 25.00 O ATOM 382 CB THR A 104 70.030 15.739 0.163 1.00 25.00 C ATOM 383 OG1 THR A 104 69.668 14.357 0.137 1.00 25.00 O ATOM 384 CG2 THR A 104 69.763 16.270 1.569 1.00 25.00 C ATOM 0 H THR A 104 70.161 15.406 -2.414 1.00 25.00 H new ATOM 0 HA THR A 104 68.175 16.553 -0.560 1.00 25.00 H new ATOM 0 HB THR A 104 71.085 15.878 -0.072 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.189 13.870 0.809 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.360 15.710 2.289 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.033 17.325 1.617 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.705 16.155 1.807 1.00 25.00 H new ATOM 392 N VAL A 105 69.150 18.875 -0.434 1.00 25.00 N ATOM 393 CA VAL A 105 69.570 20.267 -0.523 1.00 25.00 C ATOM 394 C VAL A 105 69.795 20.781 0.892 1.00 25.00 C ATOM 395 O VAL A 105 68.949 20.584 1.762 1.00 25.00 O ATOM 396 CB VAL A 105 68.465 21.116 -1.195 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.903 22.584 -1.355 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.067 20.528 -2.561 1.00 25.00 C ATOM 0 H VAL A 105 68.335 18.725 0.161 1.00 25.00 H new ATOM 0 HA VAL A 105 70.481 20.341 -1.116 1.00 25.00 H new ATOM 0 HB VAL A 105 67.594 21.090 -0.540 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.104 23.152 -1.830 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.117 23.009 -0.374 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.799 22.631 -1.974 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.289 21.145 -3.010 1.00 25.00 H new ATOM 0 HG22 VAL A 105 68.938 20.508 -3.216 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.692 19.514 -2.425 1.00 25.00 H new ATOM 408 N TYR A 106 70.915 21.449 1.123 1.00 25.00 N ATOM 409 CA TYR A 106 71.205 22.058 2.420 1.00 25.00 C ATOM 410 C TYR A 106 71.384 23.563 2.214 1.00 25.00 C ATOM 411 O TYR A 106 72.341 24.001 1.584 1.00 25.00 O ATOM 412 CB TYR A 106 72.466 21.432 3.026 1.00 25.00 C ATOM 413 CG TYR A 106 72.573 21.612 4.529 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.651 22.897 5.111 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.588 20.490 5.384 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.731 23.054 6.521 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.668 20.648 6.795 1.00 25.00 C ATOM 418 CZ TYR A 106 72.732 21.931 7.346 1.00 25.00 C ATOM 419 OH TYR A 106 72.798 22.094 8.704 1.00 25.00 O ATOM 0 H TYR A 106 71.646 21.586 0.425 1.00 25.00 H new ATOM 0 HA TYR A 106 70.383 21.882 3.114 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.480 20.367 2.794 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.343 21.873 2.553 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.650 23.771 4.476 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.538 19.497 4.961 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.791 24.042 6.953 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.679 19.780 7.438 1.00 25.00 H new ATOM 0 HH TYR A 106 72.788 21.216 9.140 1.00 25.00 H new ATOM 429 N CYS A 107 70.447 24.352 2.707 1.00 25.00 N ATOM 430 CA CYS A 107 70.494 25.801 2.545 1.00 25.00 C ATOM 431 C CYS A 107 71.041 26.443 3.807 1.00 25.00 C ATOM 432 O CYS A 107 70.539 26.200 4.895 1.00 25.00 O ATOM 433 CB CYS A 107 69.096 26.336 2.262 1.00 25.00 C ATOM 434 SG CYS A 107 68.394 25.670 0.743 1.00 25.00 S ATOM 0 H CYS A 107 69.637 24.014 3.227 1.00 25.00 H new ATOM 0 HA CYS A 107 71.147 26.044 1.707 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.441 26.091 3.098 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.134 27.423 2.194 1.00 25.00 H new ATOM 0 HG CYS A 107 67.939 26.644 0.012 1.00 25.00 H new ATOM 440 N VAL A 108 72.070 27.260 3.656 1.00 25.00 N ATOM 441 CA VAL A 108 72.738 27.891 4.789 1.00 25.00 C ATOM 442 C VAL A 108 72.562 29.404 4.775 1.00 25.00 C ATOM 443 O VAL A 108 72.886 30.084 3.788 1.00 25.00 O ATOM 444 CB VAL A 108 74.267 27.563 4.783 1.00 25.00 C ATOM 445 CG1 VAL A 108 74.970 28.172 6.014 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.487 26.044 4.771 1.00 25.00 C ATOM 0 H VAL A 108 72.467 27.506 2.749 1.00 25.00 H new ATOM 0 HA VAL A 108 72.276 27.490 5.691 1.00 25.00 H new ATOM 0 HB VAL A 108 74.697 28.000 3.882 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.032 27.928 5.984 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.846 29.255 6.005 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.530 27.764 6.924 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.556 25.831 4.767 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.033 25.604 5.659 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.029 25.617 3.879 1.00 25.00 H new ATOM 456 N ARG A 109 72.118 29.934 5.908 1.00 25.00 N ATOM 457 CA ARG A 109 72.091 31.370 6.153 1.00 25.00 C ATOM 458 C ARG A 109 73.014 31.575 7.334 1.00 25.00 C ATOM 459 O ARG A 109 73.000 30.784 8.267 1.00 25.00 O ATOM 460 CB ARG A 109 70.680 31.850 6.512 1.00 25.00 C ATOM 461 CG ARG A 109 69.670 31.774 5.365 1.00 25.00 C ATOM 462 CD ARG A 109 68.364 32.518 5.706 1.00 25.00 C ATOM 463 NE ARG A 109 68.560 33.981 5.749 1.00 25.00 N ATOM 464 CZ ARG A 109 68.300 34.777 6.786 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.805 34.342 7.912 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 68.558 36.049 6.687 1.00 25.00 N ATOM 0 H ARG A 109 71.765 29.377 6.686 1.00 25.00 H new ATOM 0 HA ARG A 109 72.396 31.931 5.269 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.309 31.254 7.346 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.739 32.882 6.859 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.109 32.203 4.464 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.447 30.730 5.145 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.603 32.275 4.964 1.00 25.00 H new ATOM 0 HD3 ARG A 109 67.991 32.173 6.670 1.00 25.00 H new ATOM 0 HE ARG A 109 68.929 34.423 4.907 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.599 33.350 8.029 1.00 25.00 H new ATOM 0 HH12 ARG A 109 67.624 34.994 8.675 1.00 25.00 H new ATOM 0 HH21 ARG A 109 68.953 36.424 5.825 1.00 25.00 H new ATOM 0 HH22 ARG A 109 68.365 36.671 7.472 1.00 25.00 H new ATOM 480 N ARG A 110 73.781 32.659 7.328 1.00 25.00 N ATOM 481 CA ARG A 110 74.691 32.971 8.444 1.00 25.00 C ATOM 482 C ARG A 110 73.913 33.323 9.717 1.00 25.00 C ATOM 483 O ARG A 110 74.479 33.494 10.784 1.00 25.00 O ATOM 484 CB ARG A 110 75.608 34.132 8.062 1.00 25.00 C ATOM 485 CG ARG A 110 76.973 34.075 8.741 1.00 25.00 C ATOM 486 CD ARG A 110 77.735 35.364 8.528 1.00 25.00 C ATOM 487 NE ARG A 110 77.213 36.436 9.394 1.00 25.00 N ATOM 488 CZ ARG A 110 77.664 37.684 9.431 1.00 25.00 C ATOM 489 NH1 ARG A 110 78.657 38.093 8.676 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 77.105 38.536 10.244 1.00 25.00 N ATOM 0 H ARG A 110 73.797 33.340 6.569 1.00 25.00 H new ATOM 0 HA ARG A 110 75.290 32.083 8.646 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.748 34.134 6.981 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.120 35.071 8.322 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.846 33.895 9.808 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.547 33.238 8.343 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.793 35.204 8.738 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.660 35.667 7.484 1.00 25.00 H new ATOM 0 HE ARG A 110 76.441 36.199 10.017 1.00 25.00 H new ATOM 0 HH11 ARG A 110 79.110 37.444 8.033 1.00 25.00 H new ATOM 0 HH12 ARG A 110 78.976 39.060 8.733 1.00 25.00 H new ATOM 0 HH21 ARG A 110 76.332 38.240 10.840 1.00 25.00 H new ATOM 0 HH22 ARG A 110 77.440 39.498 10.284 1.00 25.00 H new ATOM 504 N ASP A 111 72.612 33.469 9.545 1.00 25.00 N ATOM 505 CA ASP A 111 71.671 33.839 10.597 1.00 25.00 C ATOM 506 C ASP A 111 71.171 32.603 11.377 1.00 25.00 C ATOM 507 O ASP A 111 70.182 32.671 12.094 1.00 25.00 O ATOM 508 CB ASP A 111 70.495 34.514 9.890 1.00 25.00 C ATOM 509 CG ASP A 111 69.755 35.508 10.761 1.00 25.00 C ATOM 510 OD1 ASP A 111 70.334 36.015 11.741 1.00 25.00 O ATOM 511 OD2 ASP A 111 68.646 35.914 10.334 1.00 25.00 O1- ATOM 0 H ASP A 111 72.162 33.330 8.640 1.00 25.00 H new ATOM 0 HA ASP A 111 72.151 34.495 11.324 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.862 35.026 9.000 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.796 33.748 9.553 1.00 25.00 H new ATOM 516 N LEU A 112 71.840 31.468 11.164 1.00 25.00 N ATOM 517 CA LEU A 112 71.502 30.165 11.787 1.00 25.00 C ATOM 518 C LEU A 112 70.075 29.707 11.478 1.00 25.00 C ATOM 519 O LEU A 112 69.484 28.916 12.196 1.00 25.00 O ATOM 520 CB LEU A 112 71.740 30.186 13.307 1.00 25.00 C ATOM 521 CG LEU A 112 73.171 30.505 13.772 1.00 25.00 C ATOM 522 CD1 LEU A 112 73.198 30.593 15.299 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.173 29.439 13.302 1.00 25.00 C ATOM 0 H LEU A 112 72.648 31.417 10.544 1.00 25.00 H new ATOM 0 HA LEU A 112 72.177 29.437 11.338 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.066 30.920 13.748 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.459 29.213 13.710 1.00 25.00 H new ATOM 0 HG LEU A 112 73.465 31.458 13.332 1.00 25.00 H new ATOM 0 HD11 LEU A 112 74.211 30.819 15.633 1.00 25.00 H new ATOM 0 HD12 LEU A 112 72.522 31.382 15.630 1.00 25.00 H new ATOM 0 HD13 LEU A 112 72.880 29.641 15.724 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.172 29.700 13.650 1.00 25.00 H new ATOM 0 HD22 LEU A 112 73.889 28.468 13.709 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.169 29.391 12.213 1.00 25.00 H new ATOM 535 N SER A 113 69.555 30.188 10.362 1.00 25.00 N ATOM 536 CA SER A 113 68.230 29.816 9.866 1.00 25.00 C ATOM 537 C SER A 113 68.373 28.720 8.823 1.00 25.00 C ATOM 538 O SER A 113 67.617 28.656 7.859 1.00 25.00 O ATOM 539 CB SER A 113 67.541 31.016 9.251 1.00 25.00 C ATOM 540 OG SER A 113 67.902 32.201 9.935 1.00 25.00 O ATOM 0 H SER A 113 70.042 30.856 9.764 1.00 25.00 H new ATOM 0 HA SER A 113 67.627 29.456 10.700 1.00 25.00 H new ATOM 0 HB2 SER A 113 67.814 31.099 8.199 1.00 25.00 H new ATOM 0 HB3 SER A 113 66.460 30.882 9.290 1.00 25.00 H new ATOM 0 HG SER A 113 67.116 32.779 10.026 1.00 25.00 H new ATOM 546 N GLU A 114 69.459 27.977 8.931 1.00 25.00 N ATOM 547 CA GLU A 114 69.814 26.982 7.932 1.00 25.00 C ATOM 548 C GLU A 114 68.870 25.784 8.032 1.00 25.00 C ATOM 549 O GLU A 114 68.312 25.498 9.091 1.00 25.00 O ATOM 550 CB GLU A 114 71.278 26.561 8.121 1.00 25.00 C ATOM 551 CG GLU A 114 71.599 25.896 9.465 1.00 25.00 C ATOM 552 CD GLU A 114 73.100 25.698 9.664 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.881 26.057 8.749 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.504 25.246 10.756 1.00 25.00 O1- ATOM 0 H GLU A 114 70.117 28.044 9.708 1.00 25.00 H new ATOM 0 HA GLU A 114 69.709 27.408 6.934 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.547 25.873 7.320 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.910 27.442 8.010 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.204 26.508 10.276 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.096 24.931 9.521 1.00 25.00 H new ATOM 561 N VAL A 115 68.625 25.149 6.896 1.00 25.00 N ATOM 562 CA VAL A 115 67.617 24.099 6.792 1.00 25.00 C ATOM 563 C VAL A 115 68.071 23.121 5.717 1.00 25.00 C ATOM 564 O VAL A 115 68.804 23.495 4.803 1.00 25.00 O ATOM 565 CB VAL A 115 66.209 24.732 6.440 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.214 25.393 5.043 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.077 23.694 6.534 1.00 25.00 C ATOM 0 H VAL A 115 69.115 25.344 6.023 1.00 25.00 H new ATOM 0 HA VAL A 115 67.507 23.572 7.740 1.00 25.00 H new ATOM 0 HB VAL A 115 66.021 25.507 7.183 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.231 25.816 4.837 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.962 26.185 5.018 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.452 24.645 4.287 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.127 24.168 6.285 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.271 22.880 5.835 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.030 23.298 7.548 1.00 25.00 H new ATOM 577 N THR A 116 67.637 21.876 5.810 1.00 25.00 N ATOM 578 CA THR A 116 67.940 20.892 4.786 1.00 25.00 C ATOM 579 C THR A 116 66.664 20.121 4.497 1.00 25.00 C ATOM 580 O THR A 116 65.810 19.969 5.372 1.00 25.00 O ATOM 581 CB THR A 116 69.114 19.961 5.204 1.00 25.00 C ATOM 582 OG1 THR A 116 69.457 19.094 4.120 1.00 25.00 O ATOM 583 CG2 THR A 116 68.775 19.108 6.420 1.00 25.00 C ATOM 0 H THR A 116 67.074 21.523 6.584 1.00 25.00 H new ATOM 0 HA THR A 116 68.281 21.389 3.878 1.00 25.00 H new ATOM 0 HB THR A 116 69.953 20.607 5.464 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.300 19.555 3.270 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.627 18.476 6.670 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.542 19.756 7.265 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.912 18.481 6.195 1.00 25.00 H new ATOM 591 N PHE A 117 66.509 19.711 3.251 1.00 25.00 N ATOM 592 CA PHE A 117 65.309 19.034 2.780 1.00 25.00 C ATOM 593 C PHE A 117 65.727 18.239 1.558 1.00 25.00 C ATOM 594 O PHE A 117 66.880 18.316 1.144 1.00 25.00 O ATOM 595 CB PHE A 117 64.210 20.052 2.430 1.00 25.00 C ATOM 596 CG PHE A 117 64.660 21.138 1.488 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.549 20.974 0.093 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.176 22.347 1.995 1.00 25.00 C ATOM 599 CE1 PHE A 117 64.950 22.008 -0.791 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.579 23.386 1.123 1.00 25.00 C ATOM 601 CZ PHE A 117 65.466 23.216 -0.273 1.00 25.00 C ATOM 0 H PHE A 117 67.218 19.839 2.529 1.00 25.00 H new ATOM 0 HA PHE A 117 64.892 18.382 3.548 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.368 19.523 1.983 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.847 20.510 3.350 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.155 20.052 -0.307 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.265 22.482 3.063 1.00 25.00 H new ATOM 0 HE1 PHE A 117 64.861 21.872 -1.859 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.972 24.308 1.525 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.773 24.006 -0.942 1.00 25.00 H new ATOM 611 N SER A 118 64.809 17.488 0.972 1.00 25.00 N ATOM 612 CA SER A 118 65.107 16.723 -0.232 1.00 25.00 C ATOM 613 C SER A 118 64.008 16.967 -1.251 1.00 25.00 C ATOM 614 O SER A 118 62.900 17.356 -0.887 1.00 25.00 O ATOM 615 CB SER A 118 65.239 15.235 0.095 1.00 25.00 C ATOM 616 OG SER A 118 64.046 14.729 0.669 1.00 25.00 O ATOM 0 H SER A 118 63.851 17.390 1.309 1.00 25.00 H new ATOM 0 HA SER A 118 66.060 17.048 -0.650 1.00 25.00 H new ATOM 0 HB2 SER A 118 65.473 14.680 -0.813 1.00 25.00 H new ATOM 0 HB3 SER A 118 66.070 15.084 0.784 1.00 25.00 H new ATOM 0 HG SER A 118 64.157 13.776 0.867 1.00 25.00 H new ATOM 622 N LEU A 119 64.339 16.795 -2.521 1.00 25.00 N ATOM 623 CA LEU A 119 63.426 17.081 -3.622 1.00 25.00 C ATOM 624 C LEU A 119 63.400 15.948 -4.624 1.00 25.00 C ATOM 625 O LEU A 119 64.428 15.341 -4.911 1.00 25.00 O ATOM 626 CB LEU A 119 63.893 18.337 -4.356 1.00 25.00 C ATOM 627 CG LEU A 119 63.412 19.676 -3.793 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.192 20.775 -4.478 1.00 25.00 C ATOM 629 CD2 LEU A 119 61.911 19.859 -4.039 1.00 25.00 C ATOM 0 H LEU A 119 65.252 16.452 -2.821 1.00 25.00 H new ATOM 0 HA LEU A 119 62.430 17.215 -3.199 1.00 25.00 H new ATOM 0 HB2 LEU A 119 64.983 18.342 -4.364 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.567 18.267 -5.394 1.00 25.00 H new ATOM 0 HG LEU A 119 63.576 19.707 -2.716 1.00 25.00 H new ATOM 0 HD11 LEU A 119 63.869 21.743 -4.095 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.256 20.643 -4.281 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.014 20.732 -5.553 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.590 20.817 -3.631 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.712 19.836 -5.111 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.362 19.054 -3.551 1.00 25.00 H new ATOM 641 N GLN A 120 62.227 15.712 -5.190 1.00 25.00 N ATOM 642 CA GLN A 120 62.054 14.709 -6.240 1.00 25.00 C ATOM 643 C GLN A 120 62.197 15.412 -7.575 1.00 25.00 C ATOM 644 O GLN A 120 61.532 16.420 -7.823 1.00 25.00 O ATOM 645 CB GLN A 120 60.666 14.062 -6.160 1.00 25.00 C ATOM 646 CG GLN A 120 60.510 13.031 -5.049 1.00 25.00 C ATOM 647 CD GLN A 120 61.011 11.660 -5.465 1.00 25.00 C ATOM 648 OE1 GLN A 120 62.117 11.512 -5.946 1.00 25.00 O ATOM 649 NE2 GLN A 120 60.184 10.660 -5.302 1.00 25.00 N ATOM 0 H GLN A 120 61.370 16.205 -4.939 1.00 25.00 H new ATOM 0 HA GLN A 120 62.801 13.924 -6.121 1.00 25.00 H new ATOM 0 HB2 GLN A 120 59.922 14.846 -6.018 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.447 13.584 -7.115 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.057 13.364 -4.167 1.00 25.00 H new ATOM 0 HG3 GLN A 120 59.460 12.962 -4.765 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.263 10.821 -4.895 1.00 25.00 H new ATOM 0 HE22 GLN A 120 60.460 9.719 -5.582 1.00 25.00 H new ATOM 658 N VAL A 121 63.082 14.903 -8.414 1.00 25.00 N ATOM 659 CA VAL A 121 63.379 15.515 -9.708 1.00 25.00 C ATOM 660 C VAL A 121 63.571 14.434 -10.769 1.00 25.00 C ATOM 661 O VAL A 121 63.745 13.258 -10.451 1.00 25.00 O ATOM 662 CB VAL A 121 64.682 16.376 -9.626 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.469 17.606 -8.742 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.849 15.545 -9.069 1.00 25.00 C ATOM 0 H VAL A 121 63.617 14.056 -8.223 1.00 25.00 H new ATOM 0 HA VAL A 121 62.539 16.155 -9.978 1.00 25.00 H new ATOM 0 HB VAL A 121 64.925 16.703 -10.637 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.389 18.188 -8.701 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.670 18.219 -9.158 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.196 17.288 -7.736 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.745 16.163 -9.020 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.598 15.190 -8.069 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.032 14.691 -9.722 1.00 25.00 H new ATOM 674 N ASP A 122 63.556 14.838 -12.029 1.00 25.00 N ATOM 675 CA ASP A 122 63.858 13.929 -13.134 1.00 25.00 C ATOM 676 C ASP A 122 65.381 13.886 -13.273 1.00 25.00 C ATOM 677 O ASP A 122 66.074 14.796 -12.829 1.00 25.00 O ATOM 678 CB ASP A 122 63.218 14.438 -14.435 1.00 25.00 C ATOM 679 CG ASP A 122 63.190 13.374 -15.535 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.254 13.085 -16.131 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 62.111 12.808 -15.781 1.00 25.00 O1- ATOM 0 H ASP A 122 63.338 15.792 -12.317 1.00 25.00 H new ATOM 0 HA ASP A 122 63.457 12.934 -12.938 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.200 14.769 -14.229 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.770 15.308 -14.791 1.00 25.00 H new ATOM 686 N ALA A 123 65.908 12.862 -13.921 1.00 25.00 N ATOM 687 CA ALA A 123 67.338 12.789 -14.181 1.00 25.00 C ATOM 688 C ALA A 123 67.760 13.944 -15.105 1.00 25.00 C ATOM 689 O ALA A 123 68.832 14.528 -14.940 1.00 25.00 O ATOM 690 CB ALA A 123 67.677 11.438 -14.820 1.00 25.00 C ATOM 0 H ALA A 123 65.371 12.071 -14.276 1.00 25.00 H new ATOM 0 HA ALA A 123 67.883 12.879 -13.242 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.748 11.386 -15.014 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.391 10.633 -14.143 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.133 11.333 -15.759 1.00 25.00 H new ATOM 696 N ASP A 124 66.920 14.259 -16.081 1.00 25.00 N ATOM 697 CA ASP A 124 67.251 15.275 -17.085 1.00 25.00 C ATOM 698 C ASP A 124 66.663 16.647 -16.737 1.00 25.00 C ATOM 699 O ASP A 124 66.563 17.536 -17.577 1.00 25.00 O ATOM 700 CB ASP A 124 66.770 14.820 -18.466 1.00 25.00 C ATOM 701 CG ASP A 124 67.662 15.331 -19.596 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.885 15.523 -19.365 1.00 25.00 O ATOM 703 OD2 ASP A 124 67.166 15.443 -20.736 1.00 25.00 O1- ATOM 0 H ASP A 124 66.003 13.829 -16.204 1.00 25.00 H new ATOM 0 HA ASP A 124 68.335 15.386 -17.097 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.740 13.731 -18.496 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.751 15.171 -18.626 1.00 25.00 H new ATOM 708 N PHE A 125 66.284 16.812 -15.479 1.00 25.00 N ATOM 709 CA PHE A 125 65.740 18.077 -14.984 1.00 25.00 C ATOM 710 C PHE A 125 66.814 19.159 -15.118 1.00 25.00 C ATOM 711 O PHE A 125 67.981 18.913 -14.811 1.00 25.00 O ATOM 712 CB PHE A 125 65.372 17.888 -13.512 1.00 25.00 C ATOM 713 CG PHE A 125 64.212 18.708 -13.042 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.902 18.368 -13.427 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.406 19.779 -12.151 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.792 19.087 -12.927 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.303 20.496 -11.636 1.00 25.00 C ATOM 718 CZ PHE A 125 61.994 20.150 -12.026 1.00 25.00 C ATOM 0 H PHE A 125 66.342 16.079 -14.772 1.00 25.00 H new ATOM 0 HA PHE A 125 64.859 18.374 -15.552 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.147 16.835 -13.341 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.241 18.131 -12.901 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.743 17.549 -14.112 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.408 20.056 -11.858 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.792 18.822 -13.235 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.463 21.309 -10.944 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.149 20.698 -11.635 1.00 25.00 H new ATOM 728 N GLU A 126 66.438 20.349 -15.566 1.00 25.00 N ATOM 729 CA GLU A 126 67.403 21.444 -15.694 1.00 25.00 C ATOM 730 C GLU A 126 67.889 21.878 -14.321 1.00 25.00 C ATOM 731 O GLU A 126 67.098 21.959 -13.379 1.00 25.00 O ATOM 732 CB GLU A 126 66.764 22.690 -16.313 1.00 25.00 C ATOM 733 CG GLU A 126 66.433 22.636 -17.781 1.00 25.00 C ATOM 734 CD GLU A 126 66.065 24.031 -18.292 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.171 24.669 -17.681 1.00 25.00 O ATOM 736 OE2 GLU A 126 66.740 24.535 -19.217 1.00 25.00 O1- ATOM 0 H GLU A 126 65.485 20.584 -15.845 1.00 25.00 H new ATOM 0 HA GLU A 126 68.211 21.068 -16.321 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.845 22.905 -15.767 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.437 23.532 -16.149 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.286 22.250 -18.339 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.604 21.949 -17.949 1.00 25.00 H new ATOM 743 N LEU A 127 69.142 22.306 -14.239 1.00 25.00 N ATOM 744 CA LEU A 127 69.650 22.950 -13.028 1.00 25.00 C ATOM 745 C LEU A 127 68.851 24.237 -12.818 1.00 25.00 C ATOM 746 O LEU A 127 68.536 24.616 -11.694 1.00 25.00 O ATOM 747 CB LEU A 127 71.149 23.254 -13.184 1.00 25.00 C ATOM 748 CG LEU A 127 71.983 23.709 -11.965 1.00 25.00 C ATOM 749 CD1 LEU A 127 72.001 25.233 -11.837 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.514 23.086 -10.650 1.00 25.00 C ATOM 0 H LEU A 127 69.825 22.221 -14.992 1.00 25.00 H new ATOM 0 HA LEU A 127 69.535 22.296 -12.163 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.621 22.355 -13.581 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.244 24.027 -13.947 1.00 25.00 H new ATOM 0 HG LEU A 127 72.995 23.352 -12.153 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.596 25.518 -10.970 1.00 25.00 H new ATOM 0 HD12 LEU A 127 72.438 25.668 -12.736 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.982 25.600 -11.714 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.140 23.446 -9.833 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.477 23.367 -10.464 1.00 25.00 H new ATOM 0 HD23 LEU A 127 71.590 22.001 -10.714 1.00 25.00 H new ATOM 762 N HIS A 128 68.455 24.854 -13.923 1.00 25.00 N ATOM 763 CA HIS A 128 67.616 26.050 -13.901 1.00 25.00 C ATOM 764 C HIS A 128 66.298 25.834 -13.162 1.00 25.00 C ATOM 765 O HIS A 128 65.833 26.706 -12.427 1.00 25.00 O ATOM 766 CB HIS A 128 67.287 26.456 -15.335 1.00 25.00 C ATOM 767 CG HIS A 128 66.559 27.756 -15.434 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.487 27.975 -16.257 1.00 25.00 N ATOM 769 CD2 HIS A 128 66.755 28.935 -14.782 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.078 29.229 -16.082 1.00 25.00 C ATOM 771 NE2 HIS A 128 65.813 29.860 -15.185 1.00 25.00 N ATOM 0 H HIS A 128 68.705 24.541 -14.861 1.00 25.00 H new ATOM 0 HA HIS A 128 68.178 26.823 -13.377 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.213 26.523 -15.907 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.683 25.674 -15.796 1.00 25.00 H new ATOM 0 HD2 HIS A 128 67.533 29.119 -14.056 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.247 29.675 -16.609 1.00 25.00 H new ATOM 0 HE2 HIS A 128 65.708 30.821 -14.861 1.00 25.00 H new ATOM 779 N ASN A 129 65.686 24.682 -13.373 1.00 25.00 N ATOM 780 CA ASN A 129 64.426 24.358 -12.718 1.00 25.00 C ATOM 781 C ASN A 129 64.694 23.874 -11.285 1.00 25.00 C ATOM 782 O ASN A 129 63.985 24.215 -10.348 1.00 25.00 O ATOM 783 CB ASN A 129 63.691 23.295 -13.540 1.00 25.00 C ATOM 784 CG ASN A 129 62.205 23.268 -13.264 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.733 23.794 -12.278 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.463 22.675 -14.158 1.00 25.00 N ATOM 0 H ASN A 129 66.040 23.953 -13.993 1.00 25.00 H new ATOM 0 HA ASN A 129 63.795 25.245 -12.658 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.856 23.484 -14.601 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.115 22.315 -13.321 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.450 22.643 -14.040 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.895 22.243 -14.975 1.00 25.00 H new ATOM 793 N PHE A 130 65.767 23.118 -11.107 1.00 25.00 N ATOM 794 CA PHE A 130 66.129 22.604 -9.786 1.00 25.00 C ATOM 795 C PHE A 130 66.397 23.727 -8.788 1.00 25.00 C ATOM 796 O PHE A 130 65.899 23.693 -7.669 1.00 25.00 O ATOM 797 CB PHE A 130 67.360 21.709 -9.900 1.00 25.00 C ATOM 798 CG PHE A 130 67.779 21.081 -8.597 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.861 20.348 -7.820 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.105 21.208 -8.143 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.264 19.736 -6.607 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.518 20.600 -6.936 1.00 25.00 C ATOM 803 CZ PHE A 130 68.596 19.859 -6.170 1.00 25.00 C ATOM 0 H PHE A 130 66.404 22.845 -11.856 1.00 25.00 H new ATOM 0 HA PHE A 130 65.283 22.027 -9.413 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.158 20.920 -10.624 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.190 22.297 -10.292 1.00 25.00 H new ATOM 0 HD1 PHE A 130 65.838 20.251 -8.152 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.816 21.777 -8.724 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.551 19.177 -6.020 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.539 20.703 -6.601 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.911 19.387 -5.251 1.00 25.00 H new ATOM 813 N ARG A 131 67.134 24.754 -9.196 1.00 25.00 N ATOM 814 CA ARG A 131 67.389 25.891 -8.303 1.00 25.00 C ATOM 815 C ARG A 131 66.089 26.639 -7.994 1.00 25.00 C ATOM 816 O ARG A 131 65.967 27.237 -6.937 1.00 25.00 O ATOM 817 CB ARG A 131 68.487 26.829 -8.858 1.00 25.00 C ATOM 818 CG ARG A 131 68.144 27.578 -10.150 1.00 25.00 C ATOM 819 CD ARG A 131 67.432 28.908 -9.886 1.00 25.00 C ATOM 820 NE ARG A 131 66.476 29.229 -10.959 1.00 25.00 N ATOM 821 CZ ARG A 131 65.459 30.078 -10.856 1.00 25.00 C ATOM 822 NH1 ARG A 131 65.187 30.722 -9.745 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 64.695 30.274 -11.895 1.00 25.00 N ATOM 0 H ARG A 131 67.560 24.829 -10.120 1.00 25.00 H new ATOM 0 HA ARG A 131 67.774 25.497 -7.362 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.731 27.563 -8.090 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.387 26.239 -9.032 1.00 25.00 H new ATOM 0 HG2 ARG A 131 69.059 27.765 -10.712 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.510 26.948 -10.774 1.00 25.00 H new ATOM 0 HD2 ARG A 131 66.907 28.858 -8.932 1.00 25.00 H new ATOM 0 HD3 ARG A 131 68.169 29.707 -9.803 1.00 25.00 H new ATOM 0 HE ARG A 131 66.605 28.761 -11.856 1.00 25.00 H new ATOM 0 HH11 ARG A 131 65.766 30.579 -8.918 1.00 25.00 H new ATOM 0 HH12 ARG A 131 64.396 31.365 -9.709 1.00 25.00 H new ATOM 0 HH21 ARG A 131 64.883 29.779 -12.767 1.00 25.00 H new ATOM 0 HH22 ARG A 131 63.909 30.922 -11.835 1.00 25.00 H new ATOM 837 N ALA A 132 65.121 26.597 -8.903 1.00 25.00 N ATOM 838 CA ALA A 132 63.829 27.240 -8.665 1.00 25.00 C ATOM 839 C ALA A 132 63.051 26.447 -7.607 1.00 25.00 C ATOM 840 O ALA A 132 62.422 27.024 -6.735 1.00 25.00 O ATOM 841 CB ALA A 132 63.024 27.339 -9.972 1.00 25.00 C ATOM 0 H ALA A 132 65.203 26.129 -9.806 1.00 25.00 H new ATOM 0 HA ALA A 132 63.996 28.253 -8.299 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.066 27.820 -9.774 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.582 27.928 -10.700 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.852 26.339 -10.370 1.00 25.00 H new ATOM 847 N LEU A 133 63.139 25.125 -7.652 1.00 25.00 N ATOM 848 CA LEU A 133 62.508 24.302 -6.615 1.00 25.00 C ATOM 849 C LEU A 133 63.193 24.537 -5.264 1.00 25.00 C ATOM 850 O LEU A 133 62.541 24.586 -4.233 1.00 25.00 O ATOM 851 CB LEU A 133 62.585 22.811 -6.959 1.00 25.00 C ATOM 852 CG LEU A 133 61.853 22.300 -8.208 1.00 25.00 C ATOM 853 CD1 LEU A 133 62.094 20.795 -8.317 1.00 25.00 C ATOM 854 CD2 LEU A 133 60.352 22.579 -8.152 1.00 25.00 C ATOM 0 H LEU A 133 63.630 24.602 -8.378 1.00 25.00 H new ATOM 0 HA LEU A 133 61.460 24.594 -6.558 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.638 22.551 -7.065 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.204 22.255 -6.103 1.00 25.00 H new ATOM 0 HG LEU A 133 62.243 22.825 -9.080 1.00 25.00 H new ATOM 0 HD11 LEU A 133 61.583 20.408 -9.198 1.00 25.00 H new ATOM 0 HD12 LEU A 133 63.163 20.603 -8.404 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.708 20.299 -7.426 1.00 25.00 H new ATOM 0 HD21 LEU A 133 59.877 22.200 -9.057 1.00 25.00 H new ATOM 0 HD22 LEU A 133 59.922 22.083 -7.282 1.00 25.00 H new ATOM 0 HD23 LEU A 133 60.184 23.653 -8.078 1.00 25.00 H new ATOM 866 N CYS A 134 64.508 24.714 -5.278 1.00 25.00 N ATOM 867 CA CYS A 134 65.250 24.993 -4.046 1.00 25.00 C ATOM 868 C CYS A 134 64.795 26.327 -3.449 1.00 25.00 C ATOM 869 O CYS A 134 64.620 26.447 -2.247 1.00 25.00 O ATOM 870 CB CYS A 134 66.755 25.051 -4.325 1.00 25.00 C ATOM 871 SG CYS A 134 67.461 23.496 -4.934 1.00 25.00 S ATOM 0 H CYS A 134 65.083 24.671 -6.119 1.00 25.00 H new ATOM 0 HA CYS A 134 65.050 24.189 -3.338 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.947 25.835 -5.057 1.00 25.00 H new ATOM 0 HB3 CYS A 134 67.272 25.337 -3.409 1.00 25.00 H new ATOM 0 HG CYS A 134 67.000 23.246 -6.123 1.00 25.00 H new ATOM 877 N GLU A 135 64.592 27.314 -4.310 1.00 25.00 N ATOM 878 CA GLU A 135 64.111 28.638 -3.903 1.00 25.00 C ATOM 879 C GLU A 135 62.723 28.518 -3.265 1.00 25.00 C ATOM 880 O GLU A 135 62.457 29.102 -2.208 1.00 25.00 O ATOM 881 CB GLU A 135 64.069 29.533 -5.157 1.00 25.00 C ATOM 882 CG GLU A 135 63.465 30.915 -4.997 1.00 25.00 C ATOM 883 CD GLU A 135 63.560 31.714 -6.300 1.00 25.00 C ATOM 884 OE1 GLU A 135 62.794 31.442 -7.247 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.480 32.560 -6.407 1.00 25.00 O1- ATOM 0 H GLU A 135 64.755 27.225 -5.313 1.00 25.00 H new ATOM 0 HA GLU A 135 64.777 29.079 -3.161 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.089 29.649 -5.524 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.510 29.006 -5.930 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.421 30.826 -4.697 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.981 31.451 -4.200 1.00 25.00 H new ATOM 892 N LEU A 136 61.862 27.729 -3.893 1.00 25.00 N ATOM 893 CA LEU A 136 60.492 27.532 -3.424 1.00 25.00 C ATOM 894 C LEU A 136 60.431 26.902 -2.034 1.00 25.00 C ATOM 895 O LEU A 136 59.748 27.411 -1.152 1.00 25.00 O ATOM 896 CB LEU A 136 59.741 26.638 -4.422 1.00 25.00 C ATOM 897 CG LEU A 136 58.257 26.362 -4.129 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.413 27.636 -4.246 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.744 25.305 -5.107 1.00 25.00 C ATOM 0 H LEU A 136 62.090 27.208 -4.740 1.00 25.00 H new ATOM 0 HA LEU A 136 60.025 28.514 -3.355 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.812 27.096 -5.408 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.260 25.681 -4.477 1.00 25.00 H new ATOM 0 HG LEU A 136 58.168 26.001 -3.104 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.370 27.402 -4.032 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.772 28.377 -3.532 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.496 28.036 -5.257 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.692 25.103 -4.906 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.855 25.670 -6.128 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.319 24.387 -4.985 1.00 25.00 H new ATOM 911 N GLU A 137 61.132 25.793 -1.845 1.00 25.00 N ATOM 912 CA GLU A 137 61.088 25.077 -0.567 1.00 25.00 C ATOM 913 C GLU A 137 61.827 25.829 0.537 1.00 25.00 C ATOM 914 O GLU A 137 61.441 25.781 1.702 1.00 25.00 O ATOM 915 CB GLU A 137 61.724 23.691 -0.711 1.00 25.00 C ATOM 916 CG GLU A 137 61.012 22.750 -1.684 1.00 25.00 C ATOM 917 CD GLU A 137 59.562 22.464 -1.305 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.266 22.296 -0.101 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.721 22.367 -2.228 1.00 25.00 O1- ATOM 0 H GLU A 137 61.734 25.368 -2.550 1.00 25.00 H new ATOM 0 HA GLU A 137 60.037 24.991 -0.292 1.00 25.00 H new ATOM 0 HB2 GLU A 137 62.756 23.814 -1.038 1.00 25.00 H new ATOM 0 HB3 GLU A 137 61.755 23.218 0.271 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.039 23.185 -2.683 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.559 21.808 -1.732 1.00 25.00 H new ATOM 926 N SER A 138 62.914 26.501 0.183 1.00 25.00 N ATOM 927 CA SER A 138 63.728 27.183 1.188 1.00 25.00 C ATOM 928 C SER A 138 63.184 28.560 1.556 1.00 25.00 C ATOM 929 O SER A 138 63.492 29.078 2.630 1.00 25.00 O ATOM 930 CB SER A 138 65.165 27.319 0.705 1.00 25.00 C ATOM 931 OG SER A 138 66.020 27.648 1.787 1.00 25.00 O ATOM 0 H SER A 138 63.251 26.590 -0.775 1.00 25.00 H new ATOM 0 HA SER A 138 63.692 26.565 2.085 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.491 26.386 0.246 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.226 28.090 -0.063 1.00 25.00 H new ATOM 0 HG SER A 138 66.860 27.150 1.703 1.00 25.00 H new ATOM 937 N GLY A 139 62.401 29.166 0.672 1.00 25.00 N ATOM 938 CA GLY A 139 61.783 30.449 0.978 1.00 25.00 C ATOM 939 C GLY A 139 62.728 31.634 0.891 1.00 25.00 C ATOM 940 O GLY A 139 62.430 32.710 1.409 1.00 25.00 O ATOM 0 H GLY A 139 62.181 28.795 -0.252 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.951 30.611 0.292 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.364 30.407 1.983 1.00 25.00 H new ATOM 944 N ILE A 140 63.867 31.445 0.240 1.00 25.00 N ATOM 945 CA ILE A 140 64.860 32.511 0.074 1.00 25.00 C ATOM 946 C ILE A 140 65.273 32.565 -1.398 1.00 25.00 C ATOM 947 O ILE A 140 65.396 31.523 -2.048 1.00 25.00 O ATOM 948 CB ILE A 140 66.107 32.306 0.993 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.567 30.833 0.968 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.766 32.748 2.437 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.868 30.552 1.717 1.00 25.00 C ATOM 0 H ILE A 140 64.133 30.558 -0.187 1.00 25.00 H new ATOM 0 HA ILE A 140 64.410 33.458 0.374 1.00 25.00 H new ATOM 0 HB ILE A 140 66.927 32.918 0.619 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.778 30.214 1.395 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.688 30.523 -0.070 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.637 32.604 3.077 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.485 33.801 2.438 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.936 32.150 2.814 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.109 29.492 1.643 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.675 31.139 1.278 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.750 30.825 2.766 1.00 25.00 H new ATOM 963 N PRO A 141 65.424 33.780 -1.964 1.00 25.00 N ATOM 964 CA PRO A 141 65.668 33.834 -3.410 1.00 25.00 C ATOM 965 C PRO A 141 66.968 33.201 -3.894 1.00 25.00 C ATOM 966 O PRO A 141 68.044 33.405 -3.320 1.00 25.00 O ATOM 967 CB PRO A 141 65.689 35.341 -3.702 1.00 25.00 C ATOM 968 CG PRO A 141 64.932 35.952 -2.587 1.00 25.00 C ATOM 969 CD PRO A 141 65.313 35.137 -1.397 1.00 25.00 C ATOM 0 HA PRO A 141 64.905 33.256 -3.931 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.709 35.722 -3.743 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.227 35.564 -4.663 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.197 37.001 -2.453 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.858 35.915 -2.768 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.253 35.472 -0.959 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.559 35.188 -0.611 1.00 25.00 H new ATOM 977 N ALA A 142 66.875 32.516 -5.024 1.00 25.00 N ATOM 978 CA ALA A 142 68.040 31.985 -5.719 1.00 25.00 C ATOM 979 C ALA A 142 68.891 33.158 -6.215 1.00 25.00 C ATOM 980 O ALA A 142 70.091 33.044 -6.375 1.00 25.00 O ATOM 981 CB ALA A 142 67.597 31.110 -6.890 1.00 25.00 C ATOM 0 H ALA A 142 65.989 32.312 -5.486 1.00 25.00 H new ATOM 0 HA ALA A 142 68.630 31.369 -5.041 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.475 30.718 -7.403 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.994 30.282 -6.518 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.006 31.705 -7.586 1.00 25.00 H new ATOM 987 N ALA A 143 68.242 34.292 -6.444 1.00 25.00 N ATOM 988 CA ALA A 143 68.920 35.500 -6.910 1.00 25.00 C ATOM 989 C ALA A 143 69.875 36.081 -5.852 1.00 25.00 C ATOM 990 O ALA A 143 70.806 36.806 -6.181 1.00 25.00 O ATOM 991 CB ALA A 143 67.870 36.550 -7.302 1.00 25.00 C ATOM 0 H ALA A 143 67.236 34.403 -6.314 1.00 25.00 H new ATOM 0 HA ALA A 143 69.527 35.230 -7.774 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.371 37.453 -7.650 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.240 36.155 -8.099 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.253 36.789 -6.436 1.00 25.00 H new ATOM 997 N GLU A 144 69.621 35.774 -4.587 1.00 25.00 N ATOM 998 CA GLU A 144 70.416 36.303 -3.471 1.00 25.00 C ATOM 999 C GLU A 144 71.374 35.241 -2.941 1.00 25.00 C ATOM 1000 O GLU A 144 71.949 35.374 -1.847 1.00 25.00 O ATOM 1001 CB GLU A 144 69.485 36.729 -2.338 1.00 25.00 C ATOM 1002 CG GLU A 144 68.565 37.885 -2.694 1.00 25.00 C ATOM 1003 CD GLU A 144 67.655 38.257 -1.536 1.00 25.00 C ATOM 1004 OE1 GLU A 144 67.709 37.568 -0.490 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 66.874 39.218 -1.673 1.00 25.00 O1- ATOM 0 H GLU A 144 68.863 35.155 -4.299 1.00 25.00 H new ATOM 0 HA GLU A 144 70.990 37.156 -3.833 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.878 35.874 -2.040 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.087 37.010 -1.474 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.162 38.751 -2.980 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.960 37.615 -3.560 1.00 25.00 H new ATOM 1012 N SER A 145 71.511 34.156 -3.683 1.00 25.00 N ATOM 1013 CA SER A 145 72.302 33.031 -3.227 1.00 25.00 C ATOM 1014 C SER A 145 73.064 32.364 -4.358 1.00 25.00 C ATOM 1015 O SER A 145 72.862 32.657 -5.528 1.00 25.00 O ATOM 1016 CB SER A 145 71.376 32.016 -2.551 1.00 25.00 C ATOM 1017 OG SER A 145 70.369 31.568 -3.429 1.00 25.00 O ATOM 0 H SER A 145 71.085 34.032 -4.602 1.00 25.00 H new ATOM 0 HA SER A 145 73.044 33.403 -2.520 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.961 31.165 -2.202 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.918 32.469 -1.672 1.00 25.00 H new ATOM 0 HG SER A 145 69.591 32.160 -3.364 1.00 25.00 H new ATOM 1023 N GLN A 146 73.943 31.448 -3.993 1.00 25.00 N ATOM 1024 CA GLN A 146 74.653 30.630 -4.965 1.00 25.00 C ATOM 1025 C GLN A 146 74.533 29.204 -4.491 1.00 25.00 C ATOM 1026 O GLN A 146 74.370 28.964 -3.298 1.00 25.00 O ATOM 1027 CB GLN A 146 76.122 31.029 -5.077 1.00 25.00 C ATOM 1028 CG GLN A 146 76.325 32.399 -5.687 1.00 25.00 C ATOM 1029 CD GLN A 146 77.694 32.539 -6.295 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.676 32.770 -5.609 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.772 32.360 -7.587 1.00 25.00 N ATOM 0 H GLN A 146 74.185 31.250 -3.022 1.00 25.00 H new ATOM 0 HA GLN A 146 74.222 30.764 -5.957 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.573 31.010 -4.085 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.647 30.289 -5.680 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.568 32.573 -6.451 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.187 33.163 -4.922 1.00 25.00 H new ATOM 0 HE21 GLN A 146 76.928 32.169 -8.127 1.00 25.00 H new ATOM 0 HE22 GLN A 146 78.677 32.412 -8.055 1.00 25.00 H new ATOM 1040 N ILE A 147 74.601 28.264 -5.417 1.00 25.00 N ATOM 1041 CA ILE A 147 74.426 26.852 -5.099 1.00 25.00 C ATOM 1042 C ILE A 147 75.693 26.105 -5.535 1.00 25.00 C ATOM 1043 O ILE A 147 76.272 26.387 -6.590 1.00 25.00 O ATOM 1044 CB ILE A 147 73.102 26.319 -5.741 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.799 24.896 -5.236 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.144 26.428 -7.291 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.455 24.331 -5.727 1.00 25.00 C ATOM 0 H ILE A 147 74.777 28.452 -6.404 1.00 25.00 H new ATOM 0 HA ILE A 147 74.309 26.687 -4.028 1.00 25.00 H new ATOM 0 HB ILE A 147 72.272 26.949 -5.423 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.600 24.230 -5.556 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.804 24.900 -4.146 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.210 26.050 -7.708 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.274 27.471 -7.579 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.977 25.839 -7.675 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.315 23.326 -5.328 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.644 24.973 -5.385 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.453 24.293 -6.816 1.00 25.00 H new ATOM 1059 N VAL A 148 76.185 25.254 -4.647 1.00 25.00 N ATOM 1060 CA VAL A 148 77.484 24.597 -4.786 1.00 25.00 C ATOM 1061 C VAL A 148 77.318 23.082 -4.697 1.00 25.00 C ATOM 1062 O VAL A 148 76.570 22.582 -3.861 1.00 25.00 O ATOM 1063 CB VAL A 148 78.440 25.086 -3.639 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.827 24.434 -3.732 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.596 26.622 -3.692 1.00 25.00 C ATOM 0 H VAL A 148 75.688 24.994 -3.795 1.00 25.00 H new ATOM 0 HA VAL A 148 77.911 24.852 -5.756 1.00 25.00 H new ATOM 0 HB VAL A 148 77.986 24.790 -2.693 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.456 24.800 -2.921 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.726 23.352 -3.653 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.285 24.687 -4.688 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.261 26.948 -2.892 1.00 25.00 H new ATOM 0 HG22 VAL A 148 79.017 26.912 -4.655 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.620 27.091 -3.567 1.00 25.00 H new ATOM 1075 N TYR A 149 78.033 22.363 -5.550 1.00 25.00 N ATOM 1076 CA TYR A 149 78.021 20.905 -5.575 1.00 25.00 C ATOM 1077 C TYR A 149 79.440 20.433 -5.857 1.00 25.00 C ATOM 1078 O TYR A 149 80.136 21.059 -6.647 1.00 25.00 O ATOM 1079 CB TYR A 149 77.105 20.427 -6.690 1.00 25.00 C ATOM 1080 CG TYR A 149 77.281 18.975 -7.023 1.00 25.00 C ATOM 1081 CD1 TYR A 149 77.059 17.979 -6.053 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.694 18.579 -8.312 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.240 16.619 -6.366 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.867 17.211 -8.628 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.631 16.241 -7.652 1.00 25.00 C ATOM 1086 OH TYR A 149 77.778 14.915 -7.958 1.00 25.00 O ATOM 0 H TYR A 149 78.645 22.779 -6.252 1.00 25.00 H new ATOM 0 HA TYR A 149 77.664 20.509 -4.624 1.00 25.00 H new ATOM 0 HB2 TYR A 149 76.069 20.603 -6.400 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.291 21.022 -7.584 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.747 18.262 -5.059 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.880 19.329 -9.067 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.076 15.866 -5.610 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.180 16.918 -9.619 1.00 25.00 H new ATOM 0 HH TYR A 149 77.296 14.372 -7.300 1.00 25.00 H new ATOM 1096 N ALA A 150 79.872 19.362 -5.195 1.00 25.00 N ATOM 1097 CA ALA A 150 81.226 18.817 -5.368 1.00 25.00 C ATOM 1098 C ALA A 150 82.286 19.927 -5.230 1.00 25.00 C ATOM 1099 O ALA A 150 83.196 20.038 -6.045 1.00 25.00 O ATOM 1100 CB ALA A 150 81.339 18.100 -6.733 1.00 25.00 C ATOM 0 H ALA A 150 79.300 18.846 -4.526 1.00 25.00 H new ATOM 0 HA ALA A 150 81.413 18.086 -4.581 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.346 17.700 -6.852 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.617 17.285 -6.777 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.134 18.809 -7.535 1.00 25.00 H new ATOM 1106 N GLU A 151 82.100 20.761 -4.207 1.00 25.00 N ATOM 1107 CA GLU A 151 82.968 21.915 -3.890 1.00 25.00 C ATOM 1108 C GLU A 151 83.035 23.018 -4.968 1.00 25.00 C ATOM 1109 O GLU A 151 83.810 23.967 -4.835 1.00 25.00 O ATOM 1110 CB GLU A 151 84.396 21.453 -3.538 1.00 25.00 C ATOM 1111 CG GLU A 151 84.460 20.470 -2.375 1.00 25.00 C ATOM 1112 CD GLU A 151 85.895 20.167 -1.963 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.620 19.505 -2.737 1.00 25.00 O ATOM 1114 OE2 GLU A 151 86.302 20.610 -0.866 1.00 25.00 O1- ATOM 0 H GLU A 151 81.324 20.657 -3.554 1.00 25.00 H new ATOM 0 HA GLU A 151 82.486 22.376 -3.028 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.844 20.990 -4.417 1.00 25.00 H new ATOM 0 HB3 GLU A 151 85.000 22.327 -3.295 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.917 20.880 -1.523 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.960 19.543 -2.656 1.00 25.00 H new ATOM 1121 N ARG A 152 82.212 22.936 -6.009 1.00 25.00 N ATOM 1122 CA ARG A 152 82.225 23.941 -7.082 1.00 25.00 C ATOM 1123 C ARG A 152 80.835 24.537 -7.336 1.00 25.00 C ATOM 1124 O ARG A 152 79.833 23.834 -7.264 1.00 25.00 O ATOM 1125 CB ARG A 152 82.751 23.299 -8.369 1.00 25.00 C ATOM 1126 CG ARG A 152 84.131 22.658 -8.194 1.00 25.00 C ATOM 1127 CD ARG A 152 84.764 22.305 -9.520 1.00 25.00 C ATOM 1128 NE ARG A 152 85.257 23.510 -10.208 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.867 23.524 -11.387 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.085 22.429 -12.074 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.266 24.663 -11.881 1.00 25.00 N ATOM 0 H ARG A 152 81.528 22.190 -6.138 1.00 25.00 H new ATOM 0 HA ARG A 152 82.877 24.756 -6.767 1.00 25.00 H new ATOM 0 HB2 ARG A 152 82.044 22.541 -8.706 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.804 24.056 -9.151 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.783 23.343 -7.652 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.038 21.758 -7.586 1.00 25.00 H new ATOM 0 HD2 ARG A 152 85.589 21.611 -9.360 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.036 21.795 -10.150 1.00 25.00 H new ATOM 0 HE ARG A 152 85.119 24.406 -9.741 1.00 25.00 H new ATOM 0 HH11 ARG A 152 85.783 21.527 -11.706 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.557 22.479 -12.977 1.00 25.00 H new ATOM 0 HH21 ARG A 152 86.108 25.527 -11.363 1.00 25.00 H new ATOM 0 HH22 ARG A 152 86.736 24.690 -12.786 1.00 25.00 H new ATOM 1145 N PRO A 153 80.752 25.854 -7.605 1.00 25.00 N ATOM 1146 CA PRO A 153 79.407 26.378 -7.879 1.00 25.00 C ATOM 1147 C PRO A 153 78.798 25.797 -9.153 1.00 25.00 C ATOM 1148 O PRO A 153 79.507 25.558 -10.132 1.00 25.00 O ATOM 1149 CB PRO A 153 79.648 27.884 -8.054 1.00 25.00 C ATOM 1150 CG PRO A 153 80.953 28.142 -7.380 1.00 25.00 C ATOM 1151 CD PRO A 153 81.762 26.923 -7.685 1.00 25.00 C ATOM 0 HA PRO A 153 78.705 26.124 -7.085 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.686 28.159 -9.108 1.00 25.00 H new ATOM 0 HB3 PRO A 153 78.847 28.468 -7.601 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.429 29.044 -7.764 1.00 25.00 H new ATOM 0 HG3 PRO A 153 80.828 28.280 -6.306 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.222 26.976 -8.672 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.567 26.778 -6.965 1.00 25.00 H new ATOM 1159 N LEU A 154 77.486 25.612 -9.156 1.00 25.00 N ATOM 1160 CA LEU A 154 76.778 25.132 -10.344 1.00 25.00 C ATOM 1161 C LEU A 154 76.406 26.356 -11.176 1.00 0.00 C ATOM 1162 O LEU A 154 75.398 27.006 -10.922 1.00 25.00 O ATOM 1163 CB LEU A 154 75.514 24.360 -9.952 1.00 25.00 C ATOM 1164 CG LEU A 154 75.737 23.088 -9.120 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.796 23.066 -7.923 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.510 21.858 -9.968 1.00 25.00 C ATOM 0 H LEU A 154 76.885 25.786 -8.350 1.00 25.00 H new ATOM 0 HA LEU A 154 77.414 24.452 -10.911 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.862 25.029 -9.390 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.981 24.087 -10.863 1.00 25.00 H new ATOM 0 HG LEU A 154 76.767 23.088 -8.763 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.966 22.159 -7.343 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.984 23.938 -7.296 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.763 23.086 -8.272 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.672 20.965 -9.364 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.488 21.860 -10.346 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.207 21.860 -10.806 1.00 25.00 H new ATOM 1178 N THR A 155 77.270 26.720 -12.109 1.00 25.00 N ATOM 1179 CA THR A 155 77.090 27.957 -12.872 1.00 25.00 C ATOM 1180 C THR A 155 76.187 27.804 -14.085 1.00 25.00 C ATOM 1181 O THR A 155 75.604 28.777 -14.558 1.00 25.00 O ATOM 1182 CB THR A 155 78.450 28.469 -13.388 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.075 27.448 -14.174 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.382 28.802 -12.226 1.00 25.00 C ATOM 0 H THR A 155 78.101 26.184 -12.360 1.00 25.00 H new ATOM 0 HA THR A 155 76.623 28.654 -12.177 1.00 25.00 H new ATOM 0 HB THR A 155 78.271 29.366 -13.981 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.939 27.772 -14.504 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.335 29.161 -12.615 1.00 25.00 H new ATOM 0 HG22 THR A 155 78.929 29.575 -11.606 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.549 27.908 -11.626 1.00 25.00 H new ATOM 1192 N ASP A 156 76.101 26.598 -14.623 1.00 25.00 N ATOM 1193 CA ASP A 156 75.373 26.394 -15.870 1.00 25.00 C ATOM 1194 C ASP A 156 73.946 25.946 -15.613 1.00 25.00 C ATOM 1195 O ASP A 156 73.675 24.781 -15.320 1.00 25.00 O ATOM 1196 CB ASP A 156 76.071 25.364 -16.751 1.00 25.00 C ATOM 1197 CG ASP A 156 77.433 25.824 -17.236 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.723 27.036 -17.202 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.200 24.955 -17.706 1.00 25.00 O1- ATOM 0 H ASP A 156 76.518 25.756 -14.225 1.00 25.00 H new ATOM 0 HA ASP A 156 75.354 27.354 -16.386 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.185 24.435 -16.193 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.440 25.144 -17.612 1.00 25.00 H new ATOM 1204 N ASN A 157 73.024 26.880 -15.778 1.00 25.00 N ATOM 1205 CA ASN A 157 71.597 26.598 -15.639 1.00 25.00 C ATOM 1206 C ASN A 157 71.128 25.600 -16.701 1.00 25.00 C ATOM 1207 O ASN A 157 70.181 24.850 -16.486 1.00 25.00 O ATOM 1208 CB ASN A 157 70.814 27.910 -15.785 1.00 25.00 C ATOM 1209 CG ASN A 157 70.700 28.666 -14.485 1.00 25.00 C ATOM 1210 OD1 ASN A 157 70.241 28.139 -13.489 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.107 29.905 -14.493 1.00 25.00 N ATOM 0 H ASN A 157 73.237 27.850 -16.011 1.00 25.00 H new ATOM 0 HA ASN A 157 71.419 26.158 -14.658 1.00 25.00 H new ATOM 0 HB2 ASN A 157 71.305 28.541 -16.526 1.00 25.00 H new ATOM 0 HB3 ASN A 157 69.815 27.692 -16.163 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.046 30.467 -13.644 1.00 25.00 H new ATOM 0 HD22 ASN A 157 71.486 30.312 -15.348 1.00 25.00 H new ATOM 1218 N HIS A 158 71.813 25.592 -17.839 1.00 25.00 N ATOM 1219 CA HIS A 158 71.450 24.735 -18.972 1.00 25.00 C ATOM 1220 C HIS A 158 72.133 23.362 -18.962 1.00 25.00 C ATOM 1221 O HIS A 158 72.284 22.724 -20.007 1.00 25.00 O ATOM 1222 CB HIS A 158 71.785 25.451 -20.282 1.00 25.00 C ATOM 1223 CG HIS A 158 71.128 26.788 -20.415 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.770 26.985 -20.455 1.00 25.00 N ATOM 1225 CD2 HIS A 158 71.670 28.032 -20.524 1.00 25.00 C ATOM 1226 CE1 HIS A 158 69.545 28.289 -20.583 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.669 28.977 -20.623 1.00 25.00 N ATOM 0 H HIS A 158 72.633 26.175 -18.006 1.00 25.00 H new ATOM 0 HA HIS A 158 70.380 24.551 -18.882 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.865 25.577 -20.352 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.483 24.821 -21.119 1.00 25.00 H new ATOM 0 HD2 HIS A 158 72.728 28.248 -20.532 1.00 25.00 H new ATOM 0 HE1 HIS A 158 68.562 28.731 -20.646 1.00 25.00 H new ATOM 0 HE2 HIS A 158 70.776 29.988 -20.709 1.00 25.00 H new ATOM 1235 N ARG A 159 72.560 22.901 -17.796 1.00 25.00 N ATOM 1236 CA ARG A 159 73.040 21.534 -17.648 1.00 25.00 C ATOM 1237 C ARG A 159 71.943 20.811 -16.902 1.00 25.00 C ATOM 1238 O ARG A 159 71.308 21.400 -16.030 1.00 25.00 O ATOM 1239 CB ARG A 159 74.322 21.501 -16.823 1.00 25.00 C ATOM 1240 CG ARG A 159 75.558 21.026 -17.560 1.00 25.00 C ATOM 1241 CD ARG A 159 76.262 22.126 -18.335 1.00 25.00 C ATOM 1242 NE ARG A 159 75.483 22.575 -19.502 1.00 25.00 N ATOM 1243 CZ ARG A 159 75.821 23.560 -20.324 1.00 25.00 C ATOM 1244 NH1 ARG A 159 76.908 24.274 -20.170 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 75.031 23.835 -21.324 1.00 25.00 N ATOM 0 H ARG A 159 72.584 23.453 -16.938 1.00 25.00 H new ATOM 0 HA ARG A 159 73.262 21.080 -18.614 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.512 22.503 -16.438 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.162 20.853 -15.961 1.00 25.00 H new ATOM 0 HG2 ARG A 159 76.256 20.595 -16.842 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.277 20.230 -18.249 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.444 22.974 -17.674 1.00 25.00 H new ATOM 0 HD3 ARG A 159 77.236 21.767 -18.668 1.00 25.00 H new ATOM 0 HE ARG A 159 74.609 22.087 -19.695 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.538 24.083 -19.391 1.00 25.00 H new ATOM 0 HH12 ARG A 159 77.125 25.022 -20.829 1.00 25.00 H new ATOM 0 HH21 ARG A 159 74.175 23.297 -21.460 1.00 25.00 H new ATOM 0 HH22 ARG A 159 75.269 24.588 -21.970 1.00 25.00 H new ATOM 1259 N SER A 160 71.715 19.554 -17.230 1.00 25.00 N ATOM 1260 CA SER A 160 70.743 18.764 -16.495 1.00 25.00 C ATOM 1261 C SER A 160 71.461 18.165 -15.299 1.00 25.00 C ATOM 1262 O SER A 160 72.691 18.105 -15.270 1.00 25.00 O ATOM 1263 CB SER A 160 70.144 17.675 -17.376 1.00 25.00 C ATOM 1264 OG SER A 160 71.136 16.805 -17.892 1.00 25.00 O ATOM 0 H SER A 160 72.183 19.061 -17.991 1.00 25.00 H new ATOM 0 HA SER A 160 69.913 19.390 -16.167 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.421 17.099 -16.799 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.600 18.135 -18.201 1.00 25.00 H new ATOM 0 HG SER A 160 70.753 15.912 -18.021 1.00 25.00 H new ATOM 1270 N LEU A 161 70.715 17.739 -14.300 1.00 25.00 N ATOM 1271 CA LEU A 161 71.315 17.212 -13.076 1.00 25.00 C ATOM 1272 C LEU A 161 72.164 15.969 -13.355 1.00 25.00 C ATOM 1273 O LEU A 161 73.301 15.855 -12.876 1.00 25.00 O ATOM 1274 CB LEU A 161 70.204 16.903 -12.073 1.00 25.00 C ATOM 1275 CG LEU A 161 69.365 18.133 -11.684 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.145 17.693 -10.926 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.163 19.129 -10.851 1.00 25.00 C ATOM 0 H LEU A 161 69.695 17.744 -14.304 1.00 25.00 H new ATOM 0 HA LEU A 161 71.985 17.963 -12.658 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.546 16.144 -12.495 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.647 16.476 -11.173 1.00 25.00 H new ATOM 0 HG LEU A 161 69.069 18.638 -12.604 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.553 18.566 -10.652 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.547 17.031 -11.552 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.449 17.163 -10.024 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.532 19.981 -10.599 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.504 18.647 -9.935 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.025 19.473 -11.422 1.00 25.00 H new ATOM 1289 N ALA A 162 71.662 15.083 -14.201 1.00 25.00 N ATOM 1290 CA ALA A 162 72.406 13.883 -14.576 1.00 25.00 C ATOM 1291 C ALA A 162 73.742 14.222 -15.242 1.00 25.00 C ATOM 1292 O ALA A 162 74.705 13.470 -15.106 1.00 25.00 O ATOM 1293 CB ALA A 162 71.564 13.012 -15.504 1.00 25.00 C ATOM 0 H ALA A 162 70.746 15.168 -14.642 1.00 25.00 H new ATOM 0 HA ALA A 162 72.625 13.333 -13.661 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.128 12.120 -15.777 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.646 12.719 -14.994 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.315 13.574 -16.404 1.00 25.00 H new ATOM 1299 N SER A 163 73.817 15.351 -15.936 1.00 25.00 N ATOM 1300 CA SER A 163 75.067 15.745 -16.591 1.00 25.00 C ATOM 1301 C SER A 163 76.094 16.283 -15.588 1.00 25.00 C ATOM 1302 O SER A 163 77.285 16.300 -15.881 1.00 25.00 O ATOM 1303 CB SER A 163 74.814 16.768 -17.703 1.00 25.00 C ATOM 1304 OG SER A 163 74.462 18.039 -17.193 1.00 25.00 O ATOM 0 H SER A 163 73.043 16.003 -16.061 1.00 25.00 H new ATOM 0 HA SER A 163 75.485 14.845 -17.042 1.00 25.00 H new ATOM 0 HB2 SER A 163 75.709 16.861 -18.318 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.017 16.406 -18.352 1.00 25.00 H new ATOM 0 HG SER A 163 74.061 17.935 -16.305 1.00 25.00 H new ATOM 1310 N TYR A 164 75.651 16.656 -14.389 1.00 25.00 N ATOM 1311 CA TYR A 164 76.583 17.030 -13.323 1.00 25.00 C ATOM 1312 C TYR A 164 76.962 15.779 -12.538 1.00 25.00 C ATOM 1313 O TYR A 164 77.886 15.795 -11.738 1.00 25.00 O ATOM 1314 CB TYR A 164 75.940 18.023 -12.352 1.00 25.00 C ATOM 1315 CG TYR A 164 75.892 19.452 -12.847 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.084 20.168 -13.088 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.661 20.114 -13.044 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.047 21.525 -13.506 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.628 21.470 -13.452 1.00 25.00 C ATOM 1320 CZ TYR A 164 75.819 22.162 -13.668 1.00 25.00 C ATOM 1321 OH TYR A 164 75.788 23.478 -14.035 1.00 25.00 O ATOM 0 H TYR A 164 74.665 16.708 -14.131 1.00 25.00 H new ATOM 0 HA TYR A 164 77.458 17.493 -13.779 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.924 17.693 -12.137 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.489 17.997 -11.411 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.037 19.678 -12.953 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.735 19.582 -12.882 1.00 25.00 H new ATOM 0 HE1 TYR A 164 77.966 22.060 -13.697 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.680 21.968 -13.596 1.00 25.00 H new ATOM 0 HH TYR A 164 74.932 23.677 -14.468 1.00 25.00 H new ATOM 1331 N GLY A 165 76.208 14.708 -12.746 1.00 25.00 N ATOM 1332 CA GLY A 165 76.388 13.492 -11.970 1.00 25.00 C ATOM 1333 C GLY A 165 75.558 13.539 -10.701 1.00 25.00 C ATOM 1334 O GLY A 165 75.714 12.703 -9.807 1.00 25.00 O ATOM 0 H GLY A 165 75.467 14.658 -13.445 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.100 12.627 -12.567 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.441 13.368 -11.718 1.00 25.00 H new ATOM 1338 N LEU A 166 74.648 14.503 -10.632 1.00 25.00 N ATOM 1339 CA LEU A 166 73.794 14.668 -9.460 1.00 25.00 C ATOM 1340 C LEU A 166 72.731 13.591 -9.456 1.00 25.00 C ATOM 1341 O LEU A 166 71.631 13.793 -9.946 1.00 25.00 O ATOM 1342 CB LEU A 166 73.135 16.048 -9.473 1.00 25.00 C ATOM 1343 CG LEU A 166 74.017 17.165 -8.926 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.540 18.519 -9.418 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.984 17.117 -7.410 1.00 25.00 C ATOM 0 H LEU A 166 74.482 15.183 -11.374 1.00 25.00 H new ATOM 0 HA LEU A 166 74.404 14.582 -8.561 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.850 16.293 -10.496 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.216 16.006 -8.888 1.00 25.00 H new ATOM 0 HG LEU A 166 75.038 17.022 -9.279 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.184 19.300 -9.015 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.577 18.544 -10.507 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.515 18.687 -9.086 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.612 17.912 -7.007 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.959 17.253 -7.064 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.357 16.152 -7.068 1.00 25.00 H new ATOM 1357 N LYS A 167 73.101 12.425 -8.958 1.00 25.00 N ATOM 1358 CA LYS A 167 72.195 11.274 -8.908 1.00 25.00 C ATOM 1359 C LYS A 167 71.556 11.101 -7.534 1.00 25.00 C ATOM 1360 O LYS A 167 71.850 11.833 -6.599 1.00 25.00 O ATOM 1361 CB LYS A 167 72.951 10.010 -9.310 1.00 25.00 C ATOM 1362 CG LYS A 167 73.437 10.069 -10.746 1.00 25.00 C ATOM 1363 CD LYS A 167 74.085 8.773 -11.154 1.00 25.00 C ATOM 1364 CE LYS A 167 74.581 8.871 -12.584 1.00 25.00 C ATOM 1365 NZ LYS A 167 75.188 7.577 -13.022 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.029 12.242 -8.577 1.00 25.00 H new ATOM 0 HA LYS A 167 71.384 11.456 -9.613 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.803 9.871 -8.645 1.00 25.00 H new ATOM 0 HB3 LYS A 167 72.302 9.144 -9.183 1.00 25.00 H new ATOM 0 HG2 LYS A 167 72.598 10.284 -11.408 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.149 10.886 -10.859 1.00 25.00 H new ATOM 0 HD2 LYS A 167 74.916 8.546 -10.486 1.00 25.00 H new ATOM 0 HD3 LYS A 167 73.371 7.955 -11.063 1.00 25.00 H new ATOM 0 HE2 LYS A 167 73.754 9.132 -13.244 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.318 9.670 -12.665 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 75.521 7.664 -14.003 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 75.990 7.343 -12.403 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 74.475 6.822 -12.965 1.00 25.00 H new ATOM 1379 N ASP A 168 70.665 10.128 -7.443 1.00 25.00 N ATOM 1380 CA ASP A 168 69.901 9.881 -6.226 1.00 25.00 C ATOM 1381 C ASP A 168 70.783 9.776 -4.986 1.00 25.00 C ATOM 1382 O ASP A 168 71.761 9.023 -4.959 1.00 25.00 O ATOM 1383 CB ASP A 168 69.083 8.599 -6.385 1.00 25.00 C ATOM 1384 CG ASP A 168 67.963 8.498 -5.373 1.00 25.00 C ATOM 1385 OD1 ASP A 168 68.228 8.250 -4.184 1.00 25.00 O ATOM 1386 OD2 ASP A 168 66.801 8.684 -5.784 1.00 25.00 O1- ATOM 0 H ASP A 168 70.449 9.487 -8.207 1.00 25.00 H new ATOM 0 HA ASP A 168 69.243 10.737 -6.080 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.664 8.561 -7.391 1.00 25.00 H new ATOM 0 HB3 ASP A 168 69.741 7.736 -6.281 1.00 25.00 H new ATOM 1391 N GLY A 169 70.439 10.568 -3.981 1.00 25.00 N ATOM 1392 CA GLY A 169 71.151 10.563 -2.717 1.00 25.00 C ATOM 1393 C GLY A 169 72.225 11.625 -2.610 1.00 25.00 C ATOM 1394 O GLY A 169 72.759 11.848 -1.524 1.00 25.00 O ATOM 0 H GLY A 169 69.662 11.228 -4.021 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.434 10.703 -1.908 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.607 9.584 -2.573 1.00 25.00 H new ATOM 1398 N ASP A 170 72.557 12.286 -3.712 1.00 25.00 N ATOM 1399 CA ASP A 170 73.599 13.315 -3.675 1.00 25.00 C ATOM 1400 C ASP A 170 73.090 14.606 -3.015 1.00 25.00 C ATOM 1401 O ASP A 170 71.876 14.811 -2.871 1.00 25.00 O ATOM 1402 CB ASP A 170 74.120 13.586 -5.082 1.00 25.00 C ATOM 1403 CG ASP A 170 75.609 13.856 -5.104 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.162 14.306 -4.073 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.240 13.607 -6.154 1.00 25.00 O1- ATOM 0 H ASP A 170 72.132 12.136 -4.627 1.00 25.00 H new ATOM 0 HA ASP A 170 74.423 12.944 -3.065 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.899 12.730 -5.719 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.592 14.441 -5.503 1.00 25.00 H new ATOM 1410 N VAL A 171 74.018 15.448 -2.570 1.00 25.00 N ATOM 1411 CA VAL A 171 73.688 16.636 -1.770 1.00 25.00 C ATOM 1412 C VAL A 171 74.246 17.927 -2.381 1.00 25.00 C ATOM 1413 O VAL A 171 75.412 17.974 -2.783 1.00 25.00 O ATOM 1414 CB VAL A 171 74.274 16.497 -0.320 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.719 17.599 0.613 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.957 15.105 0.273 1.00 25.00 C ATOM 0 H VAL A 171 75.015 15.332 -2.749 1.00 25.00 H new ATOM 0 HA VAL A 171 72.600 16.698 -1.748 1.00 25.00 H new ATOM 0 HB VAL A 171 75.355 16.612 -0.393 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.142 17.478 1.610 1.00 25.00 H new ATOM 0 HG12 VAL A 171 73.990 18.579 0.220 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.633 17.517 0.667 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.374 15.034 1.278 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.877 14.966 0.317 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.397 14.332 -0.357 1.00 25.00 H new ATOM 1426 N VAL A 172 73.450 18.994 -2.393 1.00 25.00 N ATOM 1427 CA VAL A 172 73.933 20.306 -2.843 1.00 25.00 C ATOM 1428 C VAL A 172 73.825 21.303 -1.694 1.00 25.00 C ATOM 1429 O VAL A 172 73.031 21.112 -0.774 1.00 25.00 O ATOM 1430 CB VAL A 172 73.142 20.828 -4.077 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.320 19.883 -5.258 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.657 20.969 -3.760 1.00 25.00 C ATOM 0 H VAL A 172 72.473 18.981 -2.099 1.00 25.00 H new ATOM 0 HA VAL A 172 74.973 20.196 -3.149 1.00 25.00 H new ATOM 0 HB VAL A 172 73.538 21.810 -4.334 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.761 20.261 -6.114 1.00 25.00 H new ATOM 0 HG12 VAL A 172 74.377 19.817 -5.515 1.00 25.00 H new ATOM 0 HG13 VAL A 172 72.949 18.893 -4.991 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.130 21.336 -4.641 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.252 19.998 -3.473 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.526 21.674 -2.939 1.00 25.00 H new ATOM 1442 N ILE A 173 74.639 22.350 -1.729 1.00 25.00 N ATOM 1443 CA ILE A 173 74.661 23.349 -0.657 1.00 25.00 C ATOM 1444 C ILE A 173 74.345 24.730 -1.225 1.00 25.00 C ATOM 1445 O ILE A 173 75.051 25.227 -2.098 1.00 25.00 O ATOM 1446 CB ILE A 173 76.046 23.390 0.068 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.402 21.987 0.614 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.016 24.429 1.234 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.834 21.860 1.169 1.00 25.00 C ATOM 0 H ILE A 173 75.296 22.534 -2.488 1.00 25.00 H new ATOM 0 HA ILE A 173 73.904 23.064 0.073 1.00 25.00 H new ATOM 0 HB ILE A 173 76.808 23.693 -0.650 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.696 21.729 1.403 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.269 21.256 -0.184 1.00 25.00 H new ATOM 0 HG21 ILE A 173 76.986 24.447 1.730 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.794 25.418 0.834 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.246 24.147 1.953 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.996 20.844 1.530 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.551 22.083 0.379 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.969 22.563 1.991 1.00 25.00 H new ATOM 1461 N LEU A 174 73.290 25.351 -0.721 1.00 25.00 N ATOM 1462 CA LEU A 174 72.883 26.687 -1.154 1.00 25.00 C ATOM 1463 C LEU A 174 73.328 27.697 -0.099 1.00 25.00 C ATOM 1464 O LEU A 174 73.185 27.464 1.093 1.00 25.00 O ATOM 1465 CB LEU A 174 71.365 26.726 -1.360 1.00 25.00 C ATOM 1466 CG LEU A 174 70.789 28.046 -1.901 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.685 27.758 -2.913 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.231 28.910 -0.766 1.00 25.00 C ATOM 0 H LEU A 174 72.690 24.948 -0.001 1.00 25.00 H new ATOM 0 HA LEU A 174 73.352 26.940 -2.105 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.091 25.925 -2.047 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.884 26.507 -0.407 1.00 25.00 H new ATOM 0 HG LEU A 174 71.597 28.593 -2.387 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.283 28.698 -3.291 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.093 27.179 -3.742 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.889 27.191 -2.431 1.00 25.00 H new ATOM 0 HD21 LEU A 174 69.831 29.837 -1.177 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.437 28.368 -0.253 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.028 29.141 -0.059 1.00 25.00 H new ATOM 1480 N ARG A 175 73.913 28.800 -0.540 1.00 25.00 N ATOM 1481 CA ARG A 175 74.481 29.814 0.357 1.00 25.00 C ATOM 1482 C ARG A 175 73.875 31.180 0.085 1.00 25.00 C ATOM 1483 O ARG A 175 74.169 31.792 -0.937 1.00 25.00 O ATOM 1484 CB ARG A 175 75.988 29.894 0.111 1.00 25.00 C ATOM 1485 CG ARG A 175 76.749 28.637 0.508 1.00 25.00 C ATOM 1486 CD ARG A 175 78.082 28.559 -0.234 1.00 25.00 C ATOM 1487 NE ARG A 175 78.918 29.754 -0.015 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.803 29.909 0.963 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.022 28.987 1.869 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.482 31.021 1.029 1.00 25.00 N ATOM 0 H ARG A 175 74.011 29.024 -1.530 1.00 25.00 H new ATOM 0 HA ARG A 175 74.265 29.531 1.387 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.163 30.093 -0.946 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.392 30.741 0.666 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.925 28.636 1.584 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.149 27.755 0.282 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.626 27.673 0.094 1.00 25.00 H new ATOM 0 HD3 ARG A 175 77.894 28.441 -1.301 1.00 25.00 H new ATOM 0 HE ARG A 175 78.807 30.527 -0.671 1.00 25.00 H new ATOM 0 HH11 ARG A 175 79.503 28.109 1.839 1.00 25.00 H new ATOM 0 HH12 ARG A 175 80.711 29.147 2.603 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.329 31.754 0.336 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.166 31.158 1.773 1.00 25.00 H new ATOM 1504 N GLN A 176 73.045 31.678 1.006 1.00 25.00 N ATOM 1505 CA GLN A 176 72.399 33.009 0.863 1.00 25.00 C ATOM 1506 C GLN A 176 73.152 34.092 1.637 1.00 25.00 C ATOM 1507 O GLN A 176 73.554 33.955 2.780 1.00 25.00 O ATOM 1508 CB GLN A 176 70.910 32.952 1.278 1.00 25.00 C ATOM 1509 CG GLN A 176 70.120 34.229 0.844 1.00 25.00 C ATOM 1510 CD GLN A 176 69.388 34.909 1.988 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.562 34.659 3.161 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.524 35.852 1.657 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.356 35.088 1.000 1.00 25.00 O ATOM 0 H GLN A 176 72.797 31.187 1.865 1.00 25.00 H new ATOM 0 HA GLN A 176 72.442 33.281 -0.192 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.445 32.072 0.833 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.841 32.836 2.360 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.813 34.940 0.394 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.399 33.956 0.074 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.365 36.076 0.675 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.016 36.356 2.384 1.00 25.00 H new