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 -168:sc= 0.849 USER MOD Set 1.2: A 163 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 128 HIS : no HD1:sc= -0.0867 X(o=-0.17,f=-0.47) USER MOD Set 2.2: A 157 ASN : amide:sc= -0.0798 K(o=-0.17,f=-0.92) USER MOD Set 3.1: A 104 THR OG1 : rot -60:sc= 0.00166 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 100 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-1.4) USER MOD Single : A 101 MET CE :methyl -164:sc= -0.353 (180deg=-0.568) USER MOD Single : A 106 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 107 CYS SG : rot -140:sc= -0.0251 USER MOD Single : A 113 SER OG : rot -130:sc= -0.15 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 0.429 K(o=0.43,f=-0.082) USER MOD Single : A 134 CYS SG : rot 70:sc= 0.642 USER MOD Single : A 138 SER OG : rot -87:sc= 1.26 USER MOD Single : A 145 SER OG : rot -42:sc= 0.931 USER MOD Single : A 146 GLN : amide:sc= 0.359 K(o=0.36,f=-3.8!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 164 TYR OH : rot 30:sc= -0.0749 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 1.19 K(o=1.2,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 62.278 8.389 -11.019 1.00 25.00 N ATOM 307 CA HIS A 100 62.574 9.694 -10.445 1.00 25.00 C ATOM 308 C HIS A 100 63.763 9.439 -9.532 1.00 25.00 C ATOM 309 O HIS A 100 64.118 8.281 -9.297 1.00 25.00 O ATOM 310 CB HIS A 100 61.374 10.245 -9.661 1.00 25.00 C ATOM 311 CG HIS A 100 60.874 9.324 -8.589 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.593 8.950 -7.480 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.681 8.680 -8.465 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.849 8.119 -6.759 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.669 7.924 -7.309 1.00 25.00 N ATOM 0 HA HIS A 100 62.790 10.443 -11.207 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.654 11.196 -9.208 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.561 10.451 -10.357 1.00 25.00 H new ATOM 0 HD2 HIS A 100 58.864 8.750 -9.168 1.00 25.00 H new ATOM 0 HE1 HIS A 100 61.172 7.660 -5.836 1.00 25.00 H new ATOM 0 HE2 HIS A 100 58.910 7.341 -6.957 1.00 25.00 H new ATOM 323 N MET A 101 64.368 10.490 -9.010 1.00 25.00 N ATOM 324 CA MET A 101 65.494 10.363 -8.091 1.00 25.00 C ATOM 325 C MET A 101 65.328 11.400 -6.992 1.00 25.00 C ATOM 326 O MET A 101 64.461 12.268 -7.092 1.00 25.00 O ATOM 327 CB MET A 101 66.813 10.556 -8.841 1.00 25.00 C ATOM 328 CG MET A 101 67.005 11.928 -9.418 1.00 25.00 C ATOM 329 SD MET A 101 68.548 11.997 -10.299 1.00 25.00 S ATOM 330 CE MET A 101 68.702 13.733 -10.477 1.00 25.00 C ATOM 0 H MET A 101 64.097 11.453 -9.207 1.00 25.00 H new ATOM 0 HA MET A 101 65.515 9.367 -7.649 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.638 10.343 -8.161 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.868 9.825 -9.648 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.181 12.169 -10.089 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.996 12.672 -8.622 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.449 13.956 -11.239 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.742 14.155 -10.775 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.011 14.170 -9.528 1.00 25.00 H new ATOM 340 N LEU A 102 66.123 11.290 -5.937 1.00 25.00 N ATOM 341 CA LEU A 102 66.020 12.189 -4.789 1.00 25.00 C ATOM 342 C LEU A 102 67.375 12.826 -4.492 1.00 25.00 C ATOM 343 O LEU A 102 68.380 12.120 -4.389 1.00 25.00 O ATOM 344 CB LEU A 102 65.545 11.399 -3.563 1.00 25.00 C ATOM 345 CG LEU A 102 65.153 12.237 -2.334 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.720 12.756 -2.467 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.278 11.398 -1.066 1.00 25.00 C ATOM 0 H LEU A 102 66.853 10.583 -5.849 1.00 25.00 H new ATOM 0 HA LEU A 102 65.303 12.977 -5.020 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.686 10.794 -3.855 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.336 10.709 -3.271 1.00 25.00 H new ATOM 0 HG LEU A 102 65.830 13.089 -2.272 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.464 13.346 -1.587 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.640 13.379 -3.358 1.00 25.00 H new ATOM 0 HD13 LEU A 102 63.034 11.913 -2.551 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.998 12.001 -0.202 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.617 10.534 -1.135 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.308 11.059 -0.954 1.00 25.00 H new ATOM 359 N LEU A 103 67.391 14.140 -4.335 1.00 25.00 N ATOM 360 CA LEU A 103 68.611 14.877 -3.986 1.00 25.00 C ATOM 361 C LEU A 103 68.363 15.628 -2.701 1.00 25.00 C ATOM 362 O LEU A 103 67.284 16.187 -2.517 1.00 25.00 O ATOM 363 CB LEU A 103 68.965 15.896 -5.073 1.00 25.00 C ATOM 364 CG LEU A 103 69.391 15.332 -6.431 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.553 16.475 -7.420 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.692 14.575 -6.321 1.00 25.00 C ATOM 0 H LEU A 103 66.566 14.730 -4.444 1.00 25.00 H new ATOM 0 HA LEU A 103 69.432 14.167 -3.883 1.00 25.00 H new ATOM 0 HB2 LEU A 103 68.101 16.542 -5.229 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.771 16.527 -4.699 1.00 25.00 H new ATOM 0 HG LEU A 103 68.621 14.642 -6.776 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.856 16.078 -8.389 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.605 17.002 -7.525 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.314 17.166 -7.057 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.970 14.186 -7.300 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.473 15.245 -5.961 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.573 13.747 -5.622 1.00 25.00 H new ATOM 378 N THR A 104 69.352 15.680 -1.826 1.00 25.00 N ATOM 379 CA THR A 104 69.207 16.435 -0.582 1.00 25.00 C ATOM 380 C THR A 104 69.758 17.832 -0.822 1.00 25.00 C ATOM 381 O THR A 104 70.781 17.987 -1.468 1.00 25.00 O ATOM 382 CB THR A 104 69.957 15.749 0.578 1.00 25.00 C ATOM 383 OG1 THR A 104 69.506 14.397 0.689 1.00 25.00 O ATOM 384 CG2 THR A 104 69.683 16.441 1.911 1.00 25.00 C ATOM 0 H THR A 104 70.253 15.218 -1.945 1.00 25.00 H new ATOM 0 HA THR A 104 68.156 16.482 -0.298 1.00 25.00 H new ATOM 0 HB THR A 104 71.024 15.801 0.362 1.00 25.00 H new ATOM 0 HG1 THR A 104 68.544 14.387 0.873 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.228 15.930 2.705 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.010 17.479 1.856 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.615 16.408 2.125 1.00 25.00 H new ATOM 392 N VAL A 105 69.080 18.852 -0.327 1.00 25.00 N ATOM 393 CA VAL A 105 69.532 20.227 -0.493 1.00 25.00 C ATOM 394 C VAL A 105 69.632 20.869 0.883 1.00 25.00 C ATOM 395 O VAL A 105 68.670 20.870 1.650 1.00 25.00 O ATOM 396 CB VAL A 105 68.559 21.040 -1.381 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.101 22.464 -1.626 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.336 20.329 -2.728 1.00 25.00 C ATOM 0 H VAL A 105 68.210 18.756 0.196 1.00 25.00 H new ATOM 0 HA VAL A 105 70.503 20.223 -0.988 1.00 25.00 H new ATOM 0 HB VAL A 105 67.607 21.113 -0.856 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.401 23.017 -2.252 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.218 22.978 -0.672 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.067 22.404 -2.127 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.649 20.915 -3.339 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.289 20.228 -3.248 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.912 19.340 -2.552 1.00 25.00 H new ATOM 408 N TYR A 106 70.801 21.406 1.199 1.00 25.00 N ATOM 409 CA TYR A 106 71.014 22.092 2.468 1.00 25.00 C ATOM 410 C TYR A 106 71.183 23.576 2.212 1.00 25.00 C ATOM 411 O TYR A 106 72.124 23.989 1.534 1.00 25.00 O ATOM 412 CB TYR A 106 72.255 21.548 3.176 1.00 25.00 C ATOM 413 CG TYR A 106 72.496 22.176 4.540 1.00 25.00 C ATOM 414 CD1 TYR A 106 71.423 22.424 5.418 1.00 25.00 C ATOM 415 CD2 TYR A 106 73.795 22.520 4.964 1.00 25.00 C ATOM 416 CE1 TYR A 106 71.636 22.976 6.701 1.00 25.00 C ATOM 417 CE2 TYR A 106 74.013 23.085 6.260 1.00 25.00 C ATOM 418 CZ TYR A 106 72.925 23.298 7.113 1.00 25.00 C ATOM 419 OH TYR A 106 73.092 23.823 8.366 1.00 25.00 O ATOM 0 H TYR A 106 71.621 21.380 0.592 1.00 25.00 H new ATOM 0 HA TYR A 106 70.149 21.922 3.109 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.153 20.469 3.294 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.128 21.719 2.546 1.00 25.00 H new ATOM 0 HD1 TYR A 106 70.417 22.187 5.104 1.00 25.00 H new ATOM 0 HD2 TYR A 106 74.634 22.356 4.304 1.00 25.00 H new ATOM 0 HE1 TYR A 106 70.799 23.148 7.361 1.00 25.00 H new ATOM 0 HE2 TYR A 106 75.012 23.346 6.578 1.00 25.00 H new ATOM 0 HH TYR A 106 73.585 24.668 8.304 1.00 25.00 H new ATOM 429 N CYS A 107 70.274 24.378 2.742 1.00 25.00 N ATOM 430 CA CYS A 107 70.342 25.818 2.575 1.00 25.00 C ATOM 431 C CYS A 107 70.907 26.466 3.828 1.00 25.00 C ATOM 432 O CYS A 107 70.429 26.240 4.938 1.00 25.00 O ATOM 433 CB CYS A 107 68.963 26.399 2.264 1.00 25.00 C ATOM 434 SG CYS A 107 69.039 28.165 1.849 1.00 25.00 S ATOM 0 H CYS A 107 69.479 24.054 3.293 1.00 25.00 H new ATOM 0 HA CYS A 107 71.002 26.030 1.734 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.519 25.851 1.433 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.309 26.258 3.124 1.00 25.00 H new ATOM 0 HG CYS A 107 68.030 28.782 2.390 1.00 25.00 H new ATOM 440 N VAL A 108 71.945 27.263 3.634 1.00 25.00 N ATOM 441 CA VAL A 108 72.653 27.918 4.720 1.00 25.00 C ATOM 442 C VAL A 108 72.438 29.423 4.681 1.00 25.00 C ATOM 443 O VAL A 108 72.728 30.076 3.677 1.00 25.00 O ATOM 444 CB VAL A 108 74.184 27.645 4.615 1.00 25.00 C ATOM 445 CG1 VAL A 108 74.957 28.343 5.753 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.457 26.142 4.646 1.00 25.00 C ATOM 0 H VAL A 108 72.322 27.475 2.710 1.00 25.00 H new ATOM 0 HA VAL A 108 72.261 27.514 5.653 1.00 25.00 H new ATOM 0 HB VAL A 108 74.532 28.054 3.666 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.022 28.133 5.652 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.792 29.419 5.698 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.604 27.971 6.715 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.530 25.966 4.572 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.084 25.724 5.581 1.00 25.00 H new ATOM 0 HG23 VAL A 108 73.952 25.663 3.807 1.00 25.00 H new ATOM 456 N ARG A 109 72.028 29.988 5.806 1.00 25.00 N ATOM 457 CA ARG A 109 72.007 31.435 5.984 1.00 25.00 C ATOM 458 C ARG A 109 72.954 31.727 7.119 1.00 25.00 C ATOM 459 O ARG A 109 73.008 30.982 8.085 1.00 25.00 O ATOM 460 CB ARG A 109 70.609 31.947 6.345 1.00 25.00 C ATOM 461 CG ARG A 109 69.617 31.953 5.184 1.00 25.00 C ATOM 462 CD ARG A 109 68.403 32.844 5.495 1.00 25.00 C ATOM 463 NE ARG A 109 68.769 34.272 5.548 1.00 25.00 N ATOM 464 CZ ARG A 109 68.398 35.134 6.493 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.637 34.802 7.500 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 68.822 36.363 6.430 1.00 25.00 N ATOM 0 H ARG A 109 71.702 29.462 6.617 1.00 25.00 H new ATOM 0 HA ARG A 109 72.295 31.931 5.057 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.206 31.329 7.148 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.697 32.961 6.736 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.112 32.310 4.281 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.283 30.935 4.983 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.637 32.693 4.734 1.00 25.00 H new ATOM 0 HD3 ARG A 109 67.968 32.545 6.449 1.00 25.00 H new ATOM 0 HE ARG A 109 69.357 34.630 4.796 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.298 33.844 7.589 1.00 25.00 H new ATOM 0 HH12 ARG A 109 67.381 35.500 8.198 1.00 25.00 H new ATOM 0 HH21 ARG A 109 69.430 36.654 5.664 1.00 25.00 H new ATOM 0 HH22 ARG A 109 68.547 37.035 7.146 1.00 25.00 H new ATOM 480 N ARG A 110 73.654 32.850 7.038 1.00 25.00 N ATOM 481 CA ARG A 110 74.545 33.282 8.128 1.00 25.00 C ATOM 482 C ARG A 110 73.744 33.646 9.374 1.00 25.00 C ATOM 483 O ARG A 110 74.295 33.852 10.440 1.00 25.00 O ATOM 484 CB ARG A 110 75.347 34.514 7.713 1.00 25.00 C ATOM 485 CG ARG A 110 76.428 34.251 6.674 1.00 25.00 C ATOM 486 CD ARG A 110 77.172 35.545 6.348 1.00 25.00 C ATOM 487 NE ARG A 110 77.812 36.115 7.549 1.00 25.00 N ATOM 488 CZ ARG A 110 78.359 37.323 7.630 1.00 25.00 C ATOM 489 NH1 ARG A 110 78.397 38.146 6.611 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 78.874 37.709 8.764 1.00 25.00 N ATOM 0 H ARG A 110 73.629 33.481 6.237 1.00 25.00 H new ATOM 0 HA ARG A 110 75.215 32.450 8.344 1.00 25.00 H new ATOM 0 HB2 ARG A 110 74.659 35.263 7.320 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.812 34.943 8.600 1.00 25.00 H new ATOM 0 HG2 ARG A 110 77.129 33.505 7.048 1.00 25.00 H new ATOM 0 HG3 ARG A 110 75.980 33.842 5.768 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.929 35.350 5.588 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.476 36.270 5.926 1.00 25.00 H new ATOM 0 HE ARG A 110 77.837 35.533 8.387 1.00 25.00 H new ATOM 0 HH11 ARG A 110 77.997 37.867 5.715 1.00 25.00 H new ATOM 0 HH12 ARG A 110 78.826 39.066 6.714 1.00 25.00 H new ATOM 0 HH21 ARG A 110 78.853 37.087 9.572 1.00 25.00 H new ATOM 0 HH22 ARG A 110 79.298 38.633 8.843 1.00 25.00 H new ATOM 504 N ASP A 111 72.443 33.757 9.184 1.00 25.00 N ATOM 505 CA ASP A 111 71.496 34.176 10.209 1.00 25.00 C ATOM 506 C ASP A 111 70.944 32.972 10.997 1.00 25.00 C ATOM 507 O ASP A 111 69.910 33.067 11.644 1.00 25.00 O ATOM 508 CB ASP A 111 70.364 34.894 9.473 1.00 25.00 C ATOM 509 CG ASP A 111 69.673 35.952 10.310 1.00 25.00 C ATOM 510 OD1 ASP A 111 70.250 36.426 11.309 1.00 25.00 O ATOM 511 OD2 ASP A 111 68.612 36.431 9.840 1.00 25.00 O1- ATOM 0 H ASP A 111 72.000 33.553 8.288 1.00 25.00 H new ATOM 0 HA ASP A 111 71.981 34.825 10.938 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.765 35.359 8.572 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.627 34.158 9.151 1.00 25.00 H new ATOM 516 N LEU A 112 71.633 31.834 10.881 1.00 25.00 N ATOM 517 CA LEU A 112 71.278 30.571 11.567 1.00 25.00 C ATOM 518 C LEU A 112 69.853 30.103 11.262 1.00 25.00 C ATOM 519 O LEU A 112 69.205 29.434 12.057 1.00 25.00 O ATOM 520 CB LEU A 112 71.489 30.688 13.085 1.00 25.00 C ATOM 521 CG LEU A 112 72.912 31.053 13.542 1.00 25.00 C ATOM 522 CD1 LEU A 112 72.917 31.267 15.057 1.00 25.00 C ATOM 523 CD2 LEU A 112 73.928 29.960 13.175 1.00 25.00 C ATOM 0 H LEU A 112 72.468 31.754 10.301 1.00 25.00 H new ATOM 0 HA LEU A 112 71.953 29.812 11.171 1.00 25.00 H new ATOM 0 HB2 LEU A 112 70.801 31.440 13.471 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.214 29.739 13.544 1.00 25.00 H new ATOM 0 HG LEU A 112 73.207 31.968 13.028 1.00 25.00 H new ATOM 0 HD11 LEU A 112 73.924 31.526 15.385 1.00 25.00 H new ATOM 0 HD12 LEU A 112 72.233 32.076 15.312 1.00 25.00 H new ATOM 0 HD13 LEU A 112 72.598 30.351 15.555 1.00 25.00 H new ATOM 0 HD21 LEU A 112 74.920 30.257 13.515 1.00 25.00 H new ATOM 0 HD22 LEU A 112 73.644 29.024 13.655 1.00 25.00 H new ATOM 0 HD23 LEU A 112 73.941 29.824 12.094 1.00 25.00 H new ATOM 535 N SER A 113 69.398 30.438 10.068 1.00 25.00 N ATOM 536 CA SER A 113 68.071 30.068 9.570 1.00 25.00 C ATOM 537 C SER A 113 68.184 28.831 8.699 1.00 25.00 C ATOM 538 O SER A 113 67.495 28.699 7.694 1.00 25.00 O ATOM 539 CB SER A 113 67.480 31.199 8.758 1.00 25.00 C ATOM 540 OG SER A 113 67.919 32.447 9.259 1.00 25.00 O ATOM 0 H SER A 113 69.944 30.984 9.401 1.00 25.00 H new ATOM 0 HA SER A 113 67.421 29.864 10.421 1.00 25.00 H new ATOM 0 HB2 SER A 113 67.772 31.096 7.713 1.00 25.00 H new ATOM 0 HB3 SER A 113 66.392 31.149 8.791 1.00 25.00 H new ATOM 0 HG SER A 113 67.147 33.036 9.390 1.00 25.00 H new ATOM 546 N GLU A 114 69.209 28.045 8.967 1.00 25.00 N ATOM 547 CA GLU A 114 69.624 26.995 8.053 1.00 25.00 C ATOM 548 C GLU A 114 68.614 25.862 8.095 1.00 25.00 C ATOM 549 O GLU A 114 67.998 25.583 9.123 1.00 25.00 O ATOM 550 CB GLU A 114 70.995 26.460 8.480 1.00 25.00 C ATOM 551 CG GLU A 114 72.052 27.542 8.571 1.00 25.00 C ATOM 552 CD GLU A 114 73.356 27.055 9.194 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.125 26.331 8.515 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.644 27.455 10.341 1.00 25.00 O1- ATOM 0 H GLU A 114 69.773 28.113 9.814 1.00 25.00 H new ATOM 0 HA GLU A 114 69.685 27.398 7.042 1.00 25.00 H new ATOM 0 HB2 GLU A 114 70.901 25.969 9.449 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.320 25.701 7.768 1.00 25.00 H new ATOM 0 HG2 GLU A 114 72.256 27.927 7.572 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.663 28.373 9.160 1.00 25.00 H new ATOM 561 N VAL A 115 68.425 25.246 6.943 1.00 25.00 N ATOM 562 CA VAL A 115 67.382 24.234 6.764 1.00 25.00 C ATOM 563 C VAL A 115 67.827 23.224 5.715 1.00 25.00 C ATOM 564 O VAL A 115 68.504 23.573 4.752 1.00 25.00 O ATOM 565 CB VAL A 115 66.014 24.919 6.354 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.120 25.651 4.999 1.00 25.00 C ATOM 567 CG2 VAL A 115 64.862 23.901 6.318 1.00 25.00 C ATOM 0 H VAL A 115 68.981 25.426 6.107 1.00 25.00 H new ATOM 0 HA VAL A 115 67.221 23.709 7.706 1.00 25.00 H new ATOM 0 HB VAL A 115 65.795 25.661 7.122 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.160 26.107 4.756 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.884 26.426 5.063 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.391 24.938 4.220 1.00 25.00 H new ATOM 0 HG21 VAL A 115 63.939 24.406 6.033 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.088 23.121 5.591 1.00 25.00 H new ATOM 0 HG23 VAL A 115 64.741 23.453 7.304 1.00 25.00 H new ATOM 577 N THR A 116 67.457 21.967 5.904 1.00 25.00 N ATOM 578 CA THR A 116 67.779 20.913 4.948 1.00 25.00 C ATOM 579 C THR A 116 66.471 20.249 4.554 1.00 25.00 C ATOM 580 O THR A 116 65.555 20.130 5.370 1.00 25.00 O ATOM 581 CB THR A 116 68.794 19.880 5.533 1.00 25.00 C ATOM 582 OG1 THR A 116 69.047 18.855 4.571 1.00 25.00 O ATOM 583 CG2 THR A 116 68.288 19.231 6.817 1.00 25.00 C ATOM 0 H THR A 116 66.929 21.648 6.717 1.00 25.00 H new ATOM 0 HA THR A 116 68.270 21.340 4.073 1.00 25.00 H new ATOM 0 HB THR A 116 69.707 20.427 5.767 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.685 18.210 4.941 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.030 18.521 7.183 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.118 20.000 7.571 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.353 18.707 6.616 1.00 25.00 H new ATOM 591 N PHE A 117 66.374 19.870 3.293 1.00 25.00 N ATOM 592 CA PHE A 117 65.173 19.259 2.739 1.00 25.00 C ATOM 593 C PHE A 117 65.652 18.395 1.589 1.00 25.00 C ATOM 594 O PHE A 117 66.834 18.409 1.267 1.00 25.00 O ATOM 595 CB PHE A 117 64.176 20.333 2.269 1.00 25.00 C ATOM 596 CG PHE A 117 64.770 21.362 1.342 1.00 25.00 C ATOM 597 CD1 PHE A 117 65.367 22.529 1.862 1.00 25.00 C ATOM 598 CD2 PHE A 117 64.711 21.189 -0.053 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.903 23.518 1.001 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.240 22.172 -0.928 1.00 25.00 C ATOM 601 CZ PHE A 117 65.838 23.341 -0.397 1.00 25.00 C ATOM 0 H PHE A 117 67.130 19.977 2.617 1.00 25.00 H new ATOM 0 HA PHE A 117 64.639 18.665 3.481 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.343 19.844 1.765 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.767 20.840 3.143 1.00 25.00 H new ATOM 0 HD1 PHE A 117 65.416 22.671 2.932 1.00 25.00 H new ATOM 0 HD2 PHE A 117 64.258 20.298 -0.462 1.00 25.00 H new ATOM 0 HE1 PHE A 117 66.360 24.405 1.414 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.187 22.029 -1.997 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.242 24.093 -1.059 1.00 25.00 H new ATOM 611 N SER A 118 64.770 17.624 0.978 1.00 25.00 N ATOM 612 CA SER A 118 65.149 16.794 -0.160 1.00 25.00 C ATOM 613 C SER A 118 64.091 16.929 -1.235 1.00 25.00 C ATOM 614 O SER A 118 62.911 17.043 -0.930 1.00 25.00 O ATOM 615 CB SER A 118 65.300 15.333 0.259 1.00 25.00 C ATOM 616 OG SER A 118 66.339 15.201 1.216 1.00 25.00 O ATOM 0 H SER A 118 63.789 17.553 1.247 1.00 25.00 H new ATOM 0 HA SER A 118 66.112 17.128 -0.546 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.362 14.969 0.678 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.520 14.718 -0.614 1.00 25.00 H new ATOM 0 HG SER A 118 66.425 14.261 1.478 1.00 25.00 H new ATOM 622 N LEU A 119 64.529 16.944 -2.482 1.00 25.00 N ATOM 623 CA LEU A 119 63.639 17.139 -3.619 1.00 25.00 C ATOM 624 C LEU A 119 63.593 15.905 -4.484 1.00 25.00 C ATOM 625 O LEU A 119 64.611 15.244 -4.698 1.00 25.00 O ATOM 626 CB LEU A 119 64.130 18.305 -4.474 1.00 25.00 C ATOM 627 CG LEU A 119 63.779 19.710 -3.973 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.494 20.711 -4.851 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.265 19.950 -4.029 1.00 25.00 C ATOM 0 H LEU A 119 65.509 16.822 -2.737 1.00 25.00 H new ATOM 0 HA LEU A 119 62.643 17.347 -3.229 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.214 18.233 -4.560 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.722 18.188 -5.478 1.00 25.00 H new ATOM 0 HG LEU A 119 64.092 19.818 -2.935 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.261 21.721 -4.515 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.570 20.547 -4.788 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.168 20.587 -5.884 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.042 20.954 -3.668 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.918 19.849 -5.057 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.757 19.218 -3.401 1.00 25.00 H new ATOM 641 N GLN A 120 62.412 15.630 -5.015 1.00 25.00 N ATOM 642 CA GLN A 120 62.206 14.510 -5.925 1.00 25.00 C ATOM 643 C GLN A 120 62.148 15.106 -7.322 1.00 25.00 C ATOM 644 O GLN A 120 61.357 16.008 -7.581 1.00 25.00 O ATOM 645 CB GLN A 120 60.909 13.771 -5.593 1.00 25.00 C ATOM 646 CG GLN A 120 60.727 12.479 -6.379 1.00 25.00 C ATOM 647 CD GLN A 120 59.409 11.804 -6.070 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.369 12.202 -6.559 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.447 10.790 -5.247 1.00 25.00 N ATOM 0 H GLN A 120 61.570 16.175 -4.829 1.00 25.00 H new ATOM 0 HA GLN A 120 63.010 13.779 -5.841 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.892 13.544 -4.527 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.064 14.430 -5.792 1.00 25.00 H new ATOM 0 HG2 GLN A 120 60.782 12.694 -7.446 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.546 11.797 -6.149 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.338 10.484 -4.856 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.586 10.305 -4.996 1.00 25.00 H new ATOM 658 N VAL A 121 63.058 14.673 -8.178 1.00 25.00 N ATOM 659 CA VAL A 121 63.242 15.271 -9.500 1.00 25.00 C ATOM 660 C VAL A 121 63.573 14.187 -10.518 1.00 25.00 C ATOM 661 O VAL A 121 63.890 13.056 -10.151 1.00 25.00 O ATOM 662 CB VAL A 121 64.411 16.312 -9.471 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.003 17.563 -8.686 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.678 15.698 -8.835 1.00 25.00 C ATOM 0 H VAL A 121 63.692 13.898 -7.982 1.00 25.00 H new ATOM 0 HA VAL A 121 62.317 15.774 -9.781 1.00 25.00 H new ATOM 0 HB VAL A 121 64.630 16.592 -10.501 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.830 18.273 -8.678 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.135 18.022 -9.159 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.754 17.285 -7.662 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.477 16.440 -8.826 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.459 15.388 -7.813 1.00 25.00 H new ATOM 0 HG23 VAL A 121 65.994 14.832 -9.417 1.00 25.00 H new ATOM 674 N ASP A 122 63.511 14.539 -11.791 1.00 25.00 N ATOM 675 CA ASP A 122 63.912 13.634 -12.868 1.00 25.00 C ATOM 676 C ASP A 122 65.435 13.720 -13.003 1.00 25.00 C ATOM 677 O ASP A 122 66.046 14.684 -12.549 1.00 25.00 O ATOM 678 CB ASP A 122 63.238 14.052 -14.182 1.00 25.00 C ATOM 679 CG ASP A 122 63.288 12.955 -15.241 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.365 12.743 -15.842 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 62.268 12.275 -15.431 1.00 25.00 O1- ATOM 0 H ASP A 122 63.185 15.451 -12.111 1.00 25.00 H new ATOM 0 HA ASP A 122 63.608 12.612 -12.643 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.199 14.315 -13.985 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.726 14.947 -14.568 1.00 25.00 H new ATOM 686 N ALA A 123 66.050 12.742 -13.648 1.00 25.00 N ATOM 687 CA ALA A 123 67.484 12.783 -13.899 1.00 25.00 C ATOM 688 C ALA A 123 67.801 13.919 -14.881 1.00 25.00 C ATOM 689 O ALA A 123 68.825 14.595 -14.757 1.00 25.00 O ATOM 690 CB ALA A 123 67.952 11.438 -14.465 1.00 25.00 C ATOM 0 H ALA A 123 65.581 11.911 -14.007 1.00 25.00 H new ATOM 0 HA ALA A 123 68.012 12.968 -12.964 1.00 25.00 H new ATOM 0 HB1 ALA A 123 69.025 11.475 -14.651 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.735 10.646 -13.748 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.429 11.235 -15.399 1.00 25.00 H new ATOM 696 N ASP A 124 66.920 14.125 -15.850 1.00 25.00 N ATOM 697 CA ASP A 124 67.143 15.131 -16.889 1.00 25.00 C ATOM 698 C ASP A 124 66.495 16.475 -16.536 1.00 25.00 C ATOM 699 O ASP A 124 66.315 17.343 -17.382 1.00 25.00 O ATOM 700 CB ASP A 124 66.628 14.625 -18.240 1.00 25.00 C ATOM 701 CG ASP A 124 67.440 15.166 -19.416 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.663 15.416 -19.241 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.888 15.253 -20.533 1.00 25.00 O1- ATOM 0 H ASP A 124 66.044 13.611 -15.942 1.00 25.00 H new ATOM 0 HA ASP A 124 68.218 15.298 -16.958 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.659 13.536 -18.252 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.584 14.916 -18.359 1.00 25.00 H new ATOM 708 N PHE A 125 66.165 16.648 -15.264 1.00 25.00 N ATOM 709 CA PHE A 125 65.589 17.901 -14.778 1.00 25.00 C ATOM 710 C PHE A 125 66.643 19.003 -14.914 1.00 25.00 C ATOM 711 O PHE A 125 67.802 18.807 -14.538 1.00 25.00 O ATOM 712 CB PHE A 125 65.185 17.718 -13.316 1.00 25.00 C ATOM 713 CG PHE A 125 64.090 18.630 -12.852 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.764 18.420 -13.272 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.361 19.668 -11.944 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.715 19.244 -12.799 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.317 20.490 -11.453 1.00 25.00 C ATOM 718 CZ PHE A 125 61.995 20.280 -11.888 1.00 25.00 C ATOM 0 H PHE A 125 66.286 15.935 -14.545 1.00 25.00 H new ATOM 0 HA PHE A 125 64.707 18.178 -15.356 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.868 16.686 -13.167 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.062 17.876 -12.688 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.544 17.620 -13.964 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.376 19.841 -11.617 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.702 19.078 -13.136 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.535 21.277 -10.746 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.198 20.912 -11.524 1.00 25.00 H new ATOM 728 N GLU A 126 66.260 20.139 -15.480 1.00 25.00 N ATOM 729 CA GLU A 126 67.201 21.234 -15.742 1.00 25.00 C ATOM 730 C GLU A 126 67.732 21.808 -14.439 1.00 25.00 C ATOM 731 O GLU A 126 66.996 21.906 -13.457 1.00 25.00 O ATOM 732 CB GLU A 126 66.506 22.396 -16.454 1.00 25.00 C ATOM 733 CG GLU A 126 65.728 22.057 -17.706 1.00 25.00 C ATOM 734 CD GLU A 126 64.788 23.196 -18.072 1.00 25.00 C ATOM 735 OE1 GLU A 126 63.858 23.468 -17.268 1.00 25.00 O ATOM 736 OE2 GLU A 126 65.007 23.859 -19.104 1.00 25.00 O1- ATOM 0 H GLU A 126 65.301 20.333 -15.770 1.00 25.00 H new ATOM 0 HA GLU A 126 68.000 20.815 -16.353 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.824 22.869 -15.747 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.262 23.137 -16.713 1.00 25.00 H new ATOM 0 HG2 GLU A 126 66.417 21.867 -18.529 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.157 21.142 -17.550 1.00 25.00 H new ATOM 743 N LEU A 127 68.959 22.303 -14.442 1.00 25.00 N ATOM 744 CA LEU A 127 69.492 22.972 -13.261 1.00 25.00 C ATOM 745 C LEU A 127 68.769 24.291 -13.021 1.00 25.00 C ATOM 746 O LEU A 127 68.681 24.757 -11.884 1.00 25.00 O ATOM 747 CB LEU A 127 70.993 23.238 -13.403 1.00 25.00 C ATOM 748 CG LEU A 127 71.948 22.353 -12.584 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.649 22.435 -11.079 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.882 20.915 -13.041 1.00 25.00 C ATOM 0 H LEU A 127 69.599 22.257 -15.235 1.00 25.00 H new ATOM 0 HA LEU A 127 69.332 22.309 -12.411 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.256 23.133 -14.456 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.179 24.277 -13.130 1.00 25.00 H new ATOM 0 HG LEU A 127 72.956 22.732 -12.753 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.344 21.796 -10.535 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.762 23.465 -10.741 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.628 22.102 -10.892 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.567 20.312 -12.445 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.866 20.540 -12.916 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.165 20.854 -14.092 1.00 25.00 H new ATOM 762 N HIS A 128 68.246 24.892 -14.082 1.00 25.00 N ATOM 763 CA HIS A 128 67.470 26.126 -13.964 1.00 25.00 C ATOM 764 C HIS A 128 66.172 25.842 -13.210 1.00 25.00 C ATOM 765 O HIS A 128 65.758 26.602 -12.340 1.00 25.00 O ATOM 766 CB HIS A 128 67.138 26.685 -15.351 1.00 25.00 C ATOM 767 CG HIS A 128 66.728 28.126 -15.334 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.625 28.614 -14.677 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.301 29.214 -15.917 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.574 29.927 -14.870 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.575 30.350 -15.614 1.00 25.00 N ATOM 0 H HIS A 128 68.344 24.547 -15.037 1.00 25.00 H new ATOM 0 HA HIS A 128 68.062 26.861 -13.419 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.008 26.571 -15.997 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.335 26.093 -15.790 1.00 25.00 H new ATOM 0 HD2 HIS A 128 68.192 29.193 -16.527 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.805 30.569 -14.466 1.00 25.00 H new ATOM 0 HE2 HIS A 128 66.772 31.308 -15.904 1.00 25.00 H new ATOM 779 N ASN A 129 65.541 24.728 -13.540 1.00 25.00 N ATOM 780 CA ASN A 129 64.295 24.333 -12.898 1.00 25.00 C ATOM 781 C ASN A 129 64.580 23.884 -11.464 1.00 25.00 C ATOM 782 O ASN A 129 63.878 24.241 -10.526 1.00 25.00 O ATOM 783 CB ASN A 129 63.658 23.200 -13.704 1.00 25.00 C ATOM 784 CG ASN A 129 62.179 23.362 -13.862 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.446 23.449 -12.894 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.732 23.420 -15.086 1.00 25.00 N ATOM 0 H ASN A 129 65.872 24.077 -14.252 1.00 25.00 H new ATOM 0 HA ASN A 129 63.604 25.176 -12.865 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.122 23.156 -14.690 1.00 25.00 H new ATOM 0 HB3 ASN A 129 63.864 22.249 -13.212 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.734 23.543 -15.259 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.380 23.343 -15.870 1.00 25.00 H new ATOM 793 N PHE A 130 65.665 23.145 -11.295 1.00 25.00 N ATOM 794 CA PHE A 130 66.063 22.647 -9.984 1.00 25.00 C ATOM 795 C PHE A 130 66.314 23.760 -8.980 1.00 25.00 C ATOM 796 O PHE A 130 65.837 23.697 -7.854 1.00 25.00 O ATOM 797 CB PHE A 130 67.325 21.801 -10.112 1.00 25.00 C ATOM 798 CG PHE A 130 67.765 21.186 -8.818 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.965 20.219 -8.189 1.00 25.00 C ATOM 800 CD2 PHE A 130 68.981 21.564 -8.219 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.375 19.613 -6.977 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.405 20.967 -7.007 1.00 25.00 C ATOM 803 CZ PHE A 130 68.601 19.984 -6.390 1.00 25.00 C ATOM 0 H PHE A 130 66.291 22.874 -12.054 1.00 25.00 H new ATOM 0 HA PHE A 130 65.232 22.048 -9.612 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.150 21.009 -10.841 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.131 22.422 -10.503 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.024 19.934 -8.636 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.597 22.317 -8.688 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.751 18.869 -6.504 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.341 21.263 -6.556 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.925 19.518 -5.471 1.00 25.00 H new ATOM 813 N ARG A 131 67.050 24.791 -9.373 1.00 25.00 N ATOM 814 CA ARG A 131 67.335 25.885 -8.440 1.00 25.00 C ATOM 815 C ARG A 131 66.074 26.679 -8.119 1.00 25.00 C ATOM 816 O ARG A 131 65.957 27.199 -7.024 1.00 25.00 O ATOM 817 CB ARG A 131 68.466 26.790 -8.947 1.00 25.00 C ATOM 818 CG ARG A 131 68.140 27.626 -10.184 1.00 25.00 C ATOM 819 CD ARG A 131 69.404 28.241 -10.769 1.00 25.00 C ATOM 820 NE ARG A 131 70.290 27.191 -11.302 1.00 25.00 N ATOM 821 CZ ARG A 131 71.599 27.304 -11.489 1.00 25.00 C ATOM 822 NH1 ARG A 131 72.260 28.402 -11.225 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 72.264 26.285 -11.940 1.00 25.00 N ATOM 0 H ARG A 131 67.453 24.898 -10.304 1.00 25.00 H new ATOM 0 HA ARG A 131 67.685 25.437 -7.510 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.756 27.464 -8.141 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.333 26.168 -9.169 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.654 27.001 -10.933 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.435 28.414 -9.920 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.141 28.941 -11.562 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.927 28.811 -10.001 1.00 25.00 H new ATOM 0 HE ARG A 131 69.860 26.300 -11.549 1.00 25.00 H new ATOM 0 HH11 ARG A 131 71.769 29.218 -10.859 1.00 25.00 H new ATOM 0 HH12 ARG A 131 73.267 28.442 -11.385 1.00 25.00 H new ATOM 0 HH21 ARG A 131 71.780 25.411 -12.146 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.271 26.358 -12.088 1.00 25.00 H new ATOM 837 N ALA A 132 65.116 26.715 -9.035 1.00 25.00 N ATOM 838 CA ALA A 132 63.838 27.372 -8.765 1.00 25.00 C ATOM 839 C ALA A 132 63.055 26.558 -7.723 1.00 25.00 C ATOM 840 O ALA A 132 62.461 27.119 -6.808 1.00 25.00 O ATOM 841 CB ALA A 132 63.029 27.518 -10.062 1.00 25.00 C ATOM 0 H ALA A 132 65.195 26.302 -9.964 1.00 25.00 H new ATOM 0 HA ALA A 132 64.021 28.371 -8.368 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.080 28.009 -9.846 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.593 28.117 -10.777 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.839 26.532 -10.485 1.00 25.00 H new ATOM 847 N LEU A 133 63.097 25.236 -7.831 1.00 25.00 N ATOM 848 CA LEU A 133 62.439 24.379 -6.840 1.00 25.00 C ATOM 849 C LEU A 133 63.119 24.544 -5.479 1.00 25.00 C ATOM 850 O LEU A 133 62.462 24.589 -4.448 1.00 25.00 O ATOM 851 CB LEU A 133 62.496 22.909 -7.269 1.00 25.00 C ATOM 852 CG LEU A 133 61.231 22.338 -7.931 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.909 23.011 -9.267 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.415 20.834 -8.143 1.00 25.00 C ATOM 0 H LEU A 133 63.571 24.735 -8.582 1.00 25.00 H new ATOM 0 HA LEU A 133 61.394 24.679 -6.765 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.328 22.788 -7.962 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.723 22.306 -6.390 1.00 25.00 H new ATOM 0 HG LEU A 133 60.391 22.535 -7.265 1.00 25.00 H new ATOM 0 HD11 LEU A 133 60.007 22.569 -9.689 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.750 24.078 -9.108 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.741 22.867 -9.957 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.522 20.421 -8.612 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.277 20.660 -8.787 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.577 20.348 -7.181 1.00 25.00 H new ATOM 866 N CYS A 134 64.439 24.669 -5.482 1.00 25.00 N ATOM 867 CA CYS A 134 65.185 24.884 -4.244 1.00 25.00 C ATOM 868 C CYS A 134 64.820 26.225 -3.611 1.00 25.00 C ATOM 869 O CYS A 134 64.748 26.339 -2.394 1.00 25.00 O ATOM 870 CB CYS A 134 66.691 24.862 -4.512 1.00 25.00 C ATOM 871 SG CYS A 134 67.320 23.280 -5.117 1.00 25.00 S ATOM 0 H CYS A 134 65.016 24.626 -6.322 1.00 25.00 H new ATOM 0 HA CYS A 134 64.921 24.078 -3.560 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.929 25.636 -5.241 1.00 25.00 H new ATOM 0 HB3 CYS A 134 67.215 25.119 -3.592 1.00 25.00 H new ATOM 0 HG CYS A 134 66.886 23.074 -6.325 1.00 25.00 H new ATOM 877 N GLU A 135 64.603 27.239 -4.438 1.00 25.00 N ATOM 878 CA GLU A 135 64.246 28.574 -3.954 1.00 25.00 C ATOM 879 C GLU A 135 62.893 28.525 -3.246 1.00 25.00 C ATOM 880 O GLU A 135 62.721 29.096 -2.168 1.00 25.00 O ATOM 881 CB GLU A 135 64.195 29.555 -5.138 1.00 25.00 C ATOM 882 CG GLU A 135 64.065 31.010 -4.726 1.00 25.00 C ATOM 883 CD GLU A 135 64.146 31.982 -5.903 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.114 31.535 -7.070 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.338 33.200 -5.651 1.00 25.00 O1- ATOM 0 H GLU A 135 64.667 27.166 -5.453 1.00 25.00 H new ATOM 0 HA GLU A 135 64.999 28.916 -3.244 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.099 29.436 -5.735 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.353 29.292 -5.779 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.114 31.151 -4.212 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.852 31.250 -4.011 1.00 25.00 H new ATOM 892 N LEU A 136 61.957 27.796 -3.839 1.00 25.00 N ATOM 893 CA LEU A 136 60.613 27.654 -3.280 1.00 25.00 C ATOM 894 C LEU A 136 60.638 26.973 -1.912 1.00 25.00 C ATOM 895 O LEU A 136 59.971 27.414 -0.982 1.00 25.00 O ATOM 896 CB LEU A 136 59.749 26.833 -4.248 1.00 25.00 C ATOM 897 CG LEU A 136 58.270 26.643 -3.869 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.509 27.973 -3.866 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.621 25.678 -4.861 1.00 25.00 C ATOM 0 H LEU A 136 62.102 27.290 -4.713 1.00 25.00 H new ATOM 0 HA LEU A 136 60.192 28.651 -3.147 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.790 27.310 -5.227 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.202 25.847 -4.354 1.00 25.00 H new ATOM 0 HG LEU A 136 58.225 26.236 -2.859 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.468 27.796 -3.594 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.963 28.651 -3.143 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.553 28.420 -4.859 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.572 25.538 -4.599 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.692 26.089 -5.868 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.135 24.718 -4.824 1.00 25.00 H new ATOM 911 N GLU A 137 61.415 25.907 -1.797 1.00 25.00 N ATOM 912 CA GLU A 137 61.508 25.149 -0.545 1.00 25.00 C ATOM 913 C GLU A 137 62.244 25.921 0.550 1.00 25.00 C ATOM 914 O GLU A 137 61.932 25.798 1.730 1.00 25.00 O ATOM 915 CB GLU A 137 62.276 23.853 -0.794 1.00 25.00 C ATOM 916 CG GLU A 137 61.536 22.817 -1.624 1.00 25.00 C ATOM 917 CD GLU A 137 60.454 22.093 -0.838 1.00 25.00 C ATOM 918 OE1 GLU A 137 60.794 21.392 0.143 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.270 22.184 -1.229 1.00 25.00 O1- ATOM 0 H GLU A 137 61.994 25.542 -2.553 1.00 25.00 H new ATOM 0 HA GLU A 137 60.488 24.957 -0.212 1.00 25.00 H new ATOM 0 HB2 GLU A 137 63.214 24.095 -1.294 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.533 23.410 0.168 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.085 23.305 -2.488 1.00 25.00 H new ATOM 0 HG3 GLU A 137 62.250 22.088 -2.006 1.00 25.00 H new ATOM 926 N SER A 138 63.261 26.679 0.163 1.00 25.00 N ATOM 927 CA SER A 138 64.100 27.376 1.140 1.00 25.00 C ATOM 928 C SER A 138 63.569 28.754 1.533 1.00 25.00 C ATOM 929 O SER A 138 63.928 29.272 2.591 1.00 25.00 O ATOM 930 CB SER A 138 65.522 27.504 0.607 1.00 25.00 C ATOM 931 OG SER A 138 65.551 28.203 -0.622 1.00 25.00 O ATOM 0 H SER A 138 63.527 26.829 -0.810 1.00 25.00 H new ATOM 0 HA SER A 138 64.085 26.769 2.045 1.00 25.00 H new ATOM 0 HB2 SER A 138 66.141 28.024 1.338 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.953 26.512 0.473 1.00 25.00 H new ATOM 0 HG SER A 138 65.413 27.573 -1.360 1.00 25.00 H new ATOM 937 N GLY A 139 62.717 29.343 0.704 1.00 25.00 N ATOM 938 CA GLY A 139 62.101 30.621 1.041 1.00 25.00 C ATOM 939 C GLY A 139 63.071 31.788 1.121 1.00 25.00 C ATOM 940 O GLY A 139 62.857 32.733 1.881 1.00 25.00 O ATOM 0 H GLY A 139 62.438 28.961 -0.200 1.00 25.00 H new ATOM 0 HA2 GLY A 139 61.338 30.850 0.297 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.591 30.523 1.999 1.00 25.00 H new ATOM 944 N ILE A 140 64.138 31.729 0.339 1.00 25.00 N ATOM 945 CA ILE A 140 65.151 32.793 0.304 1.00 25.00 C ATOM 946 C ILE A 140 65.318 33.277 -1.130 1.00 25.00 C ATOM 947 O ILE A 140 65.188 32.493 -2.056 1.00 25.00 O ATOM 948 CB ILE A 140 66.542 32.296 0.830 1.00 25.00 C ATOM 949 CG1 ILE A 140 67.013 31.035 0.071 1.00 25.00 C ATOM 950 CG2 ILE A 140 66.469 31.998 2.330 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.167 31.268 -0.886 1.00 25.00 C ATOM 0 H ILE A 140 64.333 30.950 -0.289 1.00 25.00 H new ATOM 0 HA ILE A 140 64.808 33.599 0.953 1.00 25.00 H new ATOM 0 HB ILE A 140 67.265 33.092 0.654 1.00 25.00 H new ATOM 0 HG12 ILE A 140 67.308 30.278 0.798 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.171 30.628 -0.488 1.00 25.00 H new ATOM 0 HG21 ILE A 140 67.442 31.654 2.680 1.00 25.00 H new ATOM 0 HG22 ILE A 140 66.189 32.904 2.868 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.724 31.224 2.511 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.430 30.329 -1.374 1.00 25.00 H new ATOM 0 HD12 ILE A 140 67.873 31.999 -1.640 1.00 25.00 H new ATOM 0 HD13 ILE A 140 69.028 31.644 -0.333 1.00 25.00 H new ATOM 963 N PRO A 141 65.600 34.577 -1.337 1.00 25.00 N ATOM 964 CA PRO A 141 65.794 34.981 -2.736 1.00 25.00 C ATOM 965 C PRO A 141 67.039 34.341 -3.351 1.00 25.00 C ATOM 966 O PRO A 141 68.150 34.503 -2.832 1.00 25.00 O ATOM 967 CB PRO A 141 65.971 36.506 -2.636 1.00 25.00 C ATOM 968 CG PRO A 141 65.392 36.873 -1.307 1.00 25.00 C ATOM 969 CD PRO A 141 65.761 35.723 -0.427 1.00 25.00 C ATOM 0 HA PRO A 141 64.966 34.672 -3.375 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.022 36.787 -2.700 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.454 37.018 -3.447 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.806 37.810 -0.935 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.311 37.003 -1.364 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.781 35.807 -0.053 1.00 25.00 H new ATOM 0 HD3 PRO A 141 65.108 35.649 0.442 1.00 25.00 H new ATOM 977 N ALA A 142 66.877 33.646 -4.468 1.00 25.00 N ATOM 978 CA ALA A 142 68.008 32.996 -5.130 1.00 25.00 C ATOM 979 C ALA A 142 69.009 34.039 -5.630 1.00 25.00 C ATOM 980 O ALA A 142 70.202 33.769 -5.736 1.00 25.00 O ATOM 981 CB ALA A 142 67.517 32.131 -6.294 1.00 25.00 C ATOM 0 H ALA A 142 65.980 33.516 -4.936 1.00 25.00 H new ATOM 0 HA ALA A 142 68.510 32.355 -4.405 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.369 31.654 -6.777 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.838 31.366 -5.918 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.994 32.757 -7.017 1.00 25.00 H new ATOM 987 N ALA A 143 68.515 35.240 -5.900 1.00 25.00 N ATOM 988 CA ALA A 143 69.346 36.346 -6.374 1.00 25.00 C ATOM 989 C ALA A 143 70.409 36.769 -5.344 1.00 25.00 C ATOM 990 O ALA A 143 71.421 37.365 -5.698 1.00 25.00 O ATOM 991 CB ALA A 143 68.449 37.542 -6.722 1.00 25.00 C ATOM 0 H ALA A 143 67.528 35.478 -5.798 1.00 25.00 H new ATOM 0 HA ALA A 143 69.880 36.002 -7.260 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.065 38.368 -7.076 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.745 37.254 -7.503 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.898 37.854 -5.835 1.00 25.00 H new ATOM 997 N GLU A 144 70.168 36.466 -4.077 1.00 25.00 N ATOM 998 CA GLU A 144 71.087 36.835 -2.995 1.00 25.00 C ATOM 999 C GLU A 144 71.961 35.648 -2.600 1.00 25.00 C ATOM 1000 O GLU A 144 72.619 35.667 -1.556 1.00 25.00 O ATOM 1001 CB GLU A 144 70.284 37.273 -1.767 1.00 25.00 C ATOM 1002 CG GLU A 144 69.415 38.499 -1.989 1.00 25.00 C ATOM 1003 CD GLU A 144 68.689 38.910 -0.716 1.00 25.00 C ATOM 1004 OE1 GLU A 144 68.389 38.020 0.115 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 68.436 40.117 -0.532 1.00 25.00 O1- ATOM 0 H GLU A 144 69.338 35.961 -3.765 1.00 25.00 H new ATOM 0 HA GLU A 144 71.720 37.649 -3.349 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.649 36.446 -1.449 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.976 37.476 -0.949 1.00 25.00 H new ATOM 0 HG2 GLU A 144 70.034 39.326 -2.339 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.687 38.292 -2.773 1.00 25.00 H new ATOM 1012 N SER A 145 71.917 34.586 -3.391 1.00 25.00 N ATOM 1013 CA SER A 145 72.544 33.329 -3.003 1.00 25.00 C ATOM 1014 C SER A 145 73.441 32.703 -4.062 1.00 25.00 C ATOM 1015 O SER A 145 73.468 33.120 -5.216 1.00 25.00 O ATOM 1016 CB SER A 145 71.444 32.333 -2.652 1.00 25.00 C ATOM 1017 OG SER A 145 70.846 31.814 -3.827 1.00 25.00 O ATOM 0 H SER A 145 71.456 34.568 -4.301 1.00 25.00 H new ATOM 0 HA SER A 145 73.193 33.562 -2.159 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.860 31.518 -2.059 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.687 32.821 -2.038 1.00 25.00 H new ATOM 0 HG SER A 145 70.706 32.540 -4.471 1.00 25.00 H new ATOM 1023 N GLN A 146 74.150 31.659 -3.656 1.00 25.00 N ATOM 1024 CA GLN A 146 74.968 30.863 -4.563 1.00 25.00 C ATOM 1025 C GLN A 146 74.729 29.395 -4.231 1.00 25.00 C ATOM 1026 O GLN A 146 74.428 29.059 -3.090 1.00 25.00 O ATOM 1027 CB GLN A 146 76.454 31.231 -4.429 1.00 25.00 C ATOM 1028 CG GLN A 146 77.060 31.023 -3.017 1.00 25.00 C ATOM 1029 CD GLN A 146 78.086 29.901 -2.960 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.025 29.025 -2.105 1.00 25.00 O ATOM 1031 NE2 GLN A 146 79.048 29.938 -3.848 1.00 25.00 N ATOM 0 H GLN A 146 74.175 31.339 -2.688 1.00 25.00 H new ATOM 0 HA GLN A 146 74.690 31.062 -5.598 1.00 25.00 H new ATOM 0 HB2 GLN A 146 77.025 30.637 -5.143 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.580 32.276 -4.711 1.00 25.00 H new ATOM 0 HG2 GLN A 146 77.529 31.951 -2.690 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.256 30.807 -2.313 1.00 25.00 H new ATOM 0 HE21 GLN A 146 79.069 30.681 -4.546 1.00 25.00 H new ATOM 0 HE22 GLN A 146 79.776 29.224 -3.841 1.00 25.00 H new ATOM 1040 N ILE A 147 74.837 28.530 -5.228 1.00 25.00 N ATOM 1041 CA ILE A 147 74.557 27.106 -5.048 1.00 25.00 C ATOM 1042 C ILE A 147 75.742 26.274 -5.570 1.00 25.00 C ATOM 1043 O ILE A 147 76.335 26.588 -6.616 1.00 25.00 O ATOM 1044 CB ILE A 147 73.191 26.740 -5.737 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.747 25.328 -5.315 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.273 26.914 -7.278 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.428 24.845 -5.963 1.00 25.00 C ATOM 0 H ILE A 147 75.117 28.786 -6.175 1.00 25.00 H new ATOM 0 HA ILE A 147 74.448 26.870 -3.989 1.00 25.00 H new ATOM 0 HB ILE A 147 72.423 27.435 -5.397 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.539 24.623 -5.566 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.633 25.306 -4.231 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.314 26.653 -7.725 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.514 27.950 -7.515 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.049 26.261 -7.677 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.194 23.841 -5.608 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.619 25.524 -5.692 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.540 24.829 -7.047 1.00 25.00 H new ATOM 1059 N VAL A 148 76.127 25.262 -4.803 1.00 25.00 N ATOM 1060 CA VAL A 148 77.277 24.415 -5.120 1.00 25.00 C ATOM 1061 C VAL A 148 76.940 22.930 -4.952 1.00 25.00 C ATOM 1062 O VAL A 148 76.094 22.558 -4.145 1.00 25.00 O ATOM 1063 CB VAL A 148 78.523 24.747 -4.206 1.00 25.00 C ATOM 1064 CG1 VAL A 148 78.973 26.206 -4.385 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.231 24.495 -2.734 1.00 25.00 C ATOM 0 H VAL A 148 75.651 25.002 -3.939 1.00 25.00 H new ATOM 0 HA VAL A 148 77.527 24.622 -6.160 1.00 25.00 H new ATOM 0 HB VAL A 148 79.324 24.079 -4.524 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.832 26.403 -3.743 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.251 26.376 -5.425 1.00 25.00 H new ATOM 0 HG13 VAL A 148 78.156 26.875 -4.114 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.114 24.736 -2.142 1.00 25.00 H new ATOM 0 HG22 VAL A 148 77.398 25.122 -2.416 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.972 23.446 -2.589 1.00 25.00 H new ATOM 1075 N TYR A 149 77.637 22.089 -5.694 1.00 25.00 N ATOM 1076 CA TYR A 149 77.520 20.635 -5.580 1.00 25.00 C ATOM 1077 C TYR A 149 78.950 20.140 -5.695 1.00 25.00 C ATOM 1078 O TYR A 149 79.720 20.707 -6.465 1.00 25.00 O ATOM 1079 CB TYR A 149 76.654 20.078 -6.705 1.00 25.00 C ATOM 1080 CG TYR A 149 77.033 18.677 -7.128 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.899 17.580 -6.244 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.531 18.436 -8.424 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.252 16.266 -6.662 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.879 17.129 -8.839 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.731 16.056 -7.960 1.00 25.00 C ATOM 1086 OH TYR A 149 78.062 14.797 -8.382 1.00 25.00 O ATOM 0 H TYR A 149 78.308 22.392 -6.400 1.00 25.00 H new ATOM 0 HA TYR A 149 77.046 20.320 -4.650 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.612 20.082 -6.385 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.725 20.740 -7.568 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.526 17.741 -5.244 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.649 19.261 -9.111 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.151 15.435 -5.980 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.259 16.962 -9.836 1.00 25.00 H new ATOM 0 HH TYR A 149 78.376 14.835 -9.310 1.00 25.00 H new ATOM 1096 N ALA A 150 79.325 19.176 -4.857 1.00 25.00 N ATOM 1097 CA ALA A 150 80.711 18.694 -4.760 1.00 25.00 C ATOM 1098 C ALA A 150 81.676 19.877 -4.540 1.00 25.00 C ATOM 1099 O ALA A 150 82.783 19.903 -5.069 1.00 25.00 O ATOM 1100 CB ALA A 150 81.091 17.883 -6.022 1.00 25.00 C ATOM 0 H ALA A 150 78.680 18.703 -4.224 1.00 25.00 H new ATOM 0 HA ALA A 150 80.794 18.030 -3.900 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.120 17.534 -5.934 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.424 17.026 -6.119 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.997 18.517 -6.904 1.00 25.00 H new ATOM 1106 N GLU A 151 81.194 20.865 -3.788 1.00 25.00 N ATOM 1107 CA GLU A 151 81.911 22.121 -3.495 1.00 25.00 C ATOM 1108 C GLU A 151 82.300 22.949 -4.739 1.00 25.00 C ATOM 1109 O GLU A 151 83.175 23.816 -4.662 1.00 25.00 O ATOM 1110 CB GLU A 151 83.168 21.856 -2.656 1.00 25.00 C ATOM 1111 CG GLU A 151 82.933 21.175 -1.333 1.00 25.00 C ATOM 1112 CD GLU A 151 84.215 21.135 -0.515 1.00 25.00 C ATOM 1113 OE1 GLU A 151 85.308 21.003 -1.120 1.00 25.00 O ATOM 1114 OE2 GLU A 151 84.137 21.307 0.718 1.00 25.00 O1- ATOM 0 H GLU A 151 80.273 20.821 -3.352 1.00 25.00 H new ATOM 0 HA GLU A 151 81.193 22.719 -2.934 1.00 25.00 H new ATOM 0 HB2 GLU A 151 83.853 21.244 -3.243 1.00 25.00 H new ATOM 0 HB3 GLU A 151 83.668 22.807 -2.472 1.00 25.00 H new ATOM 0 HG2 GLU A 151 82.158 21.704 -0.778 1.00 25.00 H new ATOM 0 HG3 GLU A 151 82.570 20.161 -1.500 1.00 25.00 H new ATOM 1121 N ARG A 152 81.647 22.719 -5.870 1.00 25.00 N ATOM 1122 CA ARG A 152 81.902 23.503 -7.088 1.00 25.00 C ATOM 1123 C ARG A 152 80.598 24.183 -7.491 1.00 25.00 C ATOM 1124 O ARG A 152 79.526 23.613 -7.307 1.00 25.00 O ATOM 1125 CB ARG A 152 82.401 22.595 -8.225 1.00 25.00 C ATOM 1126 CG ARG A 152 83.643 21.755 -7.880 1.00 25.00 C ATOM 1127 CD ARG A 152 84.879 22.596 -7.532 1.00 25.00 C ATOM 1128 NE ARG A 152 85.971 21.735 -7.038 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.282 21.541 -5.756 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.666 22.146 -4.778 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.244 20.715 -5.454 1.00 25.00 N ATOM 0 H ARG A 152 80.935 21.997 -5.977 1.00 25.00 H new ATOM 0 HA ARG A 152 82.675 24.247 -6.896 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.594 21.923 -8.515 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.628 23.214 -9.093 1.00 25.00 H new ATOM 0 HG2 ARG A 152 83.408 21.104 -7.038 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.880 21.109 -8.725 1.00 25.00 H new ATOM 0 HD2 ARG A 152 85.212 23.145 -8.413 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.621 23.336 -6.774 1.00 25.00 H new ATOM 0 HE ARG A 152 86.534 21.248 -7.735 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.910 22.801 -4.979 1.00 25.00 H new ATOM 0 HH12 ARG A 152 85.940 21.964 -3.813 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.748 20.227 -6.194 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.493 20.557 -4.477 1.00 25.00 H new ATOM 1145 N PRO A 153 80.659 25.431 -7.986 1.00 25.00 N ATOM 1146 CA PRO A 153 79.381 26.089 -8.273 1.00 25.00 C ATOM 1147 C PRO A 153 78.652 25.539 -9.491 1.00 25.00 C ATOM 1148 O PRO A 153 79.257 25.171 -10.498 1.00 25.00 O ATOM 1149 CB PRO A 153 79.789 27.546 -8.484 1.00 25.00 C ATOM 1150 CG PRO A 153 81.165 27.457 -9.032 1.00 25.00 C ATOM 1151 CD PRO A 153 81.799 26.326 -8.265 1.00 25.00 C ATOM 0 HA PRO A 153 78.664 25.933 -7.467 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.116 28.053 -9.175 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.767 28.106 -7.549 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.154 27.254 -10.103 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.711 28.390 -8.889 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.571 25.825 -8.849 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.271 26.676 -7.347 1.00 25.00 H new ATOM 1159 N LEU A 154 77.333 25.523 -9.395 1.00 25.00 N ATOM 1160 CA LEU A 154 76.471 25.069 -10.487 1.00 25.00 C ATOM 1161 C LEU A 154 76.157 26.270 -11.383 1.00 0.00 C ATOM 1162 O LEU A 154 75.032 26.767 -11.413 1.00 25.00 O ATOM 1163 CB LEU A 154 75.177 24.469 -9.923 1.00 25.00 C ATOM 1164 CG LEU A 154 75.342 23.206 -9.057 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.149 23.035 -8.141 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.490 21.978 -9.927 1.00 25.00 C ATOM 0 H LEU A 154 76.825 25.822 -8.563 1.00 25.00 H new ATOM 0 HA LEU A 154 76.976 24.297 -11.067 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.676 25.232 -9.327 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.517 24.231 -10.757 1.00 25.00 H new ATOM 0 HG LEU A 154 76.243 23.325 -8.455 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.281 22.138 -7.536 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.064 23.904 -7.489 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.242 22.940 -8.738 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.605 21.097 -9.296 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.603 21.865 -10.550 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.369 22.086 -10.563 1.00 25.00 H new ATOM 1178 N THR A 155 77.173 26.777 -12.061 1.00 25.00 N ATOM 1179 CA THR A 155 77.020 27.972 -12.896 1.00 25.00 C ATOM 1180 C THR A 155 76.199 27.687 -14.147 1.00 25.00 C ATOM 1181 O THR A 155 75.544 28.573 -14.687 1.00 25.00 O ATOM 1182 CB THR A 155 78.395 28.498 -13.350 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.122 27.440 -13.979 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.212 28.979 -12.167 1.00 25.00 C ATOM 0 H THR A 155 78.115 26.385 -12.054 1.00 25.00 H new ATOM 0 HA THR A 155 76.507 28.713 -12.283 1.00 25.00 H new ATOM 0 HB THR A 155 78.227 29.326 -14.038 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.997 27.772 -14.270 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.178 29.345 -12.516 1.00 25.00 H new ATOM 0 HG22 THR A 155 78.680 29.785 -11.661 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.367 28.154 -11.472 1.00 25.00 H new ATOM 1192 N ASP A 156 76.247 26.451 -14.612 1.00 25.00 N ATOM 1193 CA ASP A 156 75.535 26.056 -15.819 1.00 25.00 C ATOM 1194 C ASP A 156 74.101 25.687 -15.455 1.00 25.00 C ATOM 1195 O ASP A 156 73.860 24.735 -14.714 1.00 25.00 O ATOM 1196 CB ASP A 156 76.247 24.878 -16.475 1.00 25.00 C ATOM 1197 CG ASP A 156 75.778 24.627 -17.888 1.00 25.00 C ATOM 1198 OD1 ASP A 156 74.584 24.860 -18.189 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 76.609 24.161 -18.697 1.00 25.00 O1- ATOM 0 H ASP A 156 76.775 25.698 -14.170 1.00 25.00 H new ATOM 0 HA ASP A 156 75.518 26.883 -16.529 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.321 25.065 -16.481 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.083 23.981 -15.877 1.00 25.00 H new ATOM 1204 N ASN A 157 73.157 26.490 -15.920 1.00 25.00 N ATOM 1205 CA ASN A 157 71.746 26.279 -15.608 1.00 25.00 C ATOM 1206 C ASN A 157 71.024 25.473 -16.692 1.00 25.00 C ATOM 1207 O ASN A 157 69.936 24.959 -16.454 1.00 25.00 O ATOM 1208 CB ASN A 157 71.048 27.630 -15.400 1.00 25.00 C ATOM 1209 CG ASN A 157 70.938 28.431 -16.674 1.00 25.00 C ATOM 1210 OD1 ASN A 157 70.069 28.204 -17.485 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.826 29.374 -16.851 1.00 25.00 N ATOM 0 H ASN A 157 73.340 27.297 -16.517 1.00 25.00 H new ATOM 0 HA ASN A 157 71.699 25.696 -14.688 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.050 27.460 -14.995 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.599 28.209 -14.658 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.800 29.947 -17.695 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.544 29.537 -16.146 1.00 25.00 H new ATOM 1218 N HIS A 158 71.621 25.377 -17.872 1.00 25.00 N ATOM 1219 CA HIS A 158 70.986 24.688 -18.996 1.00 25.00 C ATOM 1220 C HIS A 158 71.183 23.186 -18.858 1.00 25.00 C ATOM 1221 O HIS A 158 70.314 22.397 -19.219 1.00 25.00 O ATOM 1222 CB HIS A 158 71.587 25.182 -20.316 1.00 25.00 C ATOM 1223 CG HIS A 158 70.939 24.597 -21.534 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.622 24.211 -21.610 1.00 25.00 N ATOM 1225 CD2 HIS A 158 71.457 24.319 -22.762 1.00 25.00 C ATOM 1226 CE1 HIS A 158 69.398 23.730 -22.828 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.482 23.780 -23.578 1.00 25.00 N ATOM 0 H HIS A 158 72.541 25.765 -18.079 1.00 25.00 H new ATOM 0 HA HIS A 158 69.918 24.905 -18.993 1.00 25.00 H new ATOM 0 HB2 HIS A 158 71.504 26.268 -20.358 1.00 25.00 H new ATOM 0 HB3 HIS A 158 72.650 24.943 -20.332 1.00 25.00 H new ATOM 0 HD2 HIS A 158 72.481 24.494 -23.055 1.00 25.00 H new ATOM 0 HE1 HIS A 158 68.446 23.346 -23.163 1.00 25.00 H new ATOM 0 HE2 HIS A 158 70.579 23.485 -24.549 1.00 25.00 H new ATOM 1235 N ARG A 159 72.313 22.800 -18.282 1.00 25.00 N ATOM 1236 CA ARG A 159 72.587 21.391 -18.003 1.00 25.00 C ATOM 1237 C ARG A 159 71.496 20.793 -17.155 1.00 25.00 C ATOM 1238 O ARG A 159 70.939 21.460 -16.287 1.00 25.00 O ATOM 1239 CB ARG A 159 73.880 21.249 -17.214 1.00 25.00 C ATOM 1240 CG ARG A 159 75.106 21.225 -18.056 1.00 25.00 C ATOM 1241 CD ARG A 159 76.324 21.127 -17.167 1.00 25.00 C ATOM 1242 NE ARG A 159 77.542 21.414 -17.931 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.605 20.624 -18.018 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.687 19.468 -17.398 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.612 21.012 -18.748 1.00 25.00 N ATOM 0 H ARG A 159 73.056 23.439 -17.998 1.00 25.00 H new ATOM 0 HA ARG A 159 72.654 20.881 -18.964 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.954 22.075 -16.507 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.837 20.331 -16.628 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.073 20.378 -18.741 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.159 22.127 -18.666 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.234 21.829 -16.338 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.386 20.129 -16.734 1.00 25.00 H new ATOM 0 HE ARG A 159 77.575 22.297 -18.440 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.912 19.144 -16.819 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.525 18.895 -17.496 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.573 21.906 -19.237 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.440 20.422 -18.830 1.00 25.00 H new ATOM 1259 N SER A 160 71.267 19.509 -17.331 1.00 25.00 N ATOM 1260 CA SER A 160 70.400 18.778 -16.438 1.00 25.00 C ATOM 1261 C SER A 160 71.255 18.244 -15.300 1.00 25.00 C ATOM 1262 O SER A 160 72.488 18.307 -15.347 1.00 25.00 O ATOM 1263 CB SER A 160 69.709 17.644 -17.176 1.00 25.00 C ATOM 1264 OG SER A 160 70.639 16.738 -17.744 1.00 25.00 O ATOM 0 H SER A 160 71.670 18.952 -18.085 1.00 25.00 H new ATOM 0 HA SER A 160 69.619 19.430 -16.046 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.055 17.109 -16.488 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.076 18.055 -17.963 1.00 25.00 H new ATOM 0 HG SER A 160 70.173 16.134 -18.360 1.00 25.00 H new ATOM 1270 N LEU A 161 70.613 17.716 -14.274 1.00 25.00 N ATOM 1271 CA LEU A 161 71.322 17.179 -13.112 1.00 25.00 C ATOM 1272 C LEU A 161 72.195 15.987 -13.530 1.00 25.00 C ATOM 1273 O LEU A 161 73.315 15.803 -13.029 1.00 25.00 O ATOM 1274 CB LEU A 161 70.284 16.751 -12.068 1.00 25.00 C ATOM 1275 CG LEU A 161 69.376 17.884 -11.550 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.144 17.304 -10.916 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.088 18.768 -10.544 1.00 25.00 C ATOM 0 H LEU A 161 69.597 17.644 -14.216 1.00 25.00 H new ATOM 0 HA LEU A 161 71.977 17.939 -12.686 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.656 15.971 -12.500 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.805 16.307 -11.220 1.00 25.00 H new ATOM 0 HG LEU A 161 69.103 18.500 -12.407 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.508 18.111 -10.553 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.598 16.715 -11.653 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.431 16.664 -10.081 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.411 19.553 -10.206 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.403 18.167 -9.691 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.963 19.220 -11.012 1.00 25.00 H new ATOM 1289 N ALA A 162 71.718 15.228 -14.507 1.00 25.00 N ATOM 1290 CA ALA A 162 72.468 14.099 -15.055 1.00 25.00 C ATOM 1291 C ALA A 162 73.810 14.550 -15.646 1.00 25.00 C ATOM 1292 O ALA A 162 74.798 13.828 -15.573 1.00 25.00 O ATOM 1293 CB ALA A 162 71.630 13.393 -16.130 1.00 25.00 C ATOM 0 H ALA A 162 70.807 15.373 -14.942 1.00 25.00 H new ATOM 0 HA ALA A 162 72.679 13.405 -14.241 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.193 12.552 -16.536 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.703 13.029 -15.688 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.399 14.095 -16.931 1.00 25.00 H new ATOM 1299 N SER A 163 73.859 15.763 -16.181 1.00 25.00 N ATOM 1300 CA SER A 163 75.096 16.304 -16.755 1.00 25.00 C ATOM 1301 C SER A 163 76.163 16.590 -15.697 1.00 25.00 C ATOM 1302 O SER A 163 77.336 16.764 -16.026 1.00 25.00 O ATOM 1303 CB SER A 163 74.806 17.589 -17.513 1.00 25.00 C ATOM 1304 OG SER A 163 73.734 17.420 -18.421 1.00 25.00 O ATOM 0 H SER A 163 73.060 16.395 -16.232 1.00 25.00 H new ATOM 0 HA SER A 163 75.484 15.539 -17.428 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.565 18.384 -16.807 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.698 17.903 -18.055 1.00 25.00 H new ATOM 0 HG SER A 163 73.569 18.263 -18.893 1.00 25.00 H new ATOM 1310 N TYR A 164 75.757 16.650 -14.433 1.00 25.00 N ATOM 1311 CA TYR A 164 76.695 16.824 -13.322 1.00 25.00 C ATOM 1312 C TYR A 164 76.939 15.494 -12.618 1.00 25.00 C ATOM 1313 O TYR A 164 77.757 15.406 -11.703 1.00 25.00 O ATOM 1314 CB TYR A 164 76.131 17.809 -12.304 1.00 25.00 C ATOM 1315 CG TYR A 164 76.318 19.249 -12.692 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.530 19.910 -12.409 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.290 19.967 -13.328 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.710 21.272 -12.744 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.459 21.337 -13.657 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.673 21.979 -13.357 1.00 25.00 C ATOM 1321 OH TYR A 164 76.887 23.303 -13.634 1.00 25.00 O ATOM 0 H TYR A 164 74.780 16.581 -14.148 1.00 25.00 H new ATOM 0 HA TYR A 164 77.631 17.204 -13.730 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.067 17.612 -12.172 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.609 17.636 -11.340 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.332 19.369 -11.930 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.362 19.470 -13.569 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.646 21.764 -12.527 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.659 21.883 -14.135 1.00 25.00 H new ATOM 0 HH TYR A 164 77.841 23.452 -13.803 1.00 25.00 H new ATOM 1331 N GLY A 165 76.198 14.471 -13.018 1.00 25.00 N ATOM 1332 CA GLY A 165 76.271 13.189 -12.341 1.00 25.00 C ATOM 1333 C GLY A 165 75.562 13.246 -11.002 1.00 25.00 C ATOM 1334 O GLY A 165 75.888 12.478 -10.099 1.00 25.00 O ATOM 0 H GLY A 165 75.545 14.504 -13.801 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.819 12.417 -12.964 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.314 12.909 -12.194 1.00 25.00 H new ATOM 1338 N LEU A 166 74.605 14.162 -10.869 1.00 25.00 N ATOM 1339 CA LEU A 166 73.867 14.332 -9.614 1.00 25.00 C ATOM 1340 C LEU A 166 72.885 13.181 -9.435 1.00 25.00 C ATOM 1341 O LEU A 166 71.713 13.281 -9.766 1.00 25.00 O ATOM 1342 CB LEU A 166 73.132 15.679 -9.607 1.00 25.00 C ATOM 1343 CG LEU A 166 73.959 16.831 -9.037 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.480 18.185 -9.529 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.880 16.783 -7.518 1.00 25.00 C ATOM 0 H LEU A 166 74.321 14.799 -11.613 1.00 25.00 H new ATOM 0 HA LEU A 166 74.570 14.325 -8.781 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.837 15.926 -10.627 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.216 15.579 -9.025 1.00 25.00 H new ATOM 0 HG LEU A 166 74.987 16.710 -9.378 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.100 18.970 -9.095 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.553 18.224 -10.616 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.443 18.335 -9.229 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.466 17.600 -7.097 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.841 16.883 -7.204 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.276 15.832 -7.163 1.00 25.00 H new ATOM 1357 N LYS A 167 73.413 12.063 -8.972 1.00 25.00 N ATOM 1358 CA LYS A 167 72.638 10.836 -8.779 1.00 25.00 C ATOM 1359 C LYS A 167 71.760 10.904 -7.535 1.00 25.00 C ATOM 1360 O LYS A 167 71.987 11.705 -6.630 1.00 25.00 O ATOM 1361 CB LYS A 167 73.599 9.651 -8.621 1.00 25.00 C ATOM 1362 CG LYS A 167 74.549 9.844 -7.452 1.00 25.00 C ATOM 1363 CD LYS A 167 75.289 8.608 -7.075 1.00 25.00 C ATOM 1364 CE LYS A 167 76.051 8.908 -5.800 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.833 7.742 -5.325 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.396 11.973 -8.716 1.00 25.00 H new ATOM 0 HA LYS A 167 71.996 10.714 -9.651 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.026 8.736 -8.475 1.00 25.00 H new ATOM 0 HB3 LYS A 167 74.174 9.525 -9.539 1.00 25.00 H new ATOM 0 HG2 LYS A 167 75.267 10.625 -7.703 1.00 25.00 H new ATOM 0 HG3 LYS A 167 73.983 10.196 -6.589 1.00 25.00 H new ATOM 0 HD2 LYS A 167 74.599 7.778 -6.923 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.973 8.312 -7.871 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.724 9.749 -5.970 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.350 9.213 -5.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.337 7.995 -4.451 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.190 6.946 -5.136 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.521 7.465 -6.054 1.00 25.00 H new ATOM 1379 N ASP A 168 70.825 9.974 -7.451 1.00 25.00 N ATOM 1380 CA ASP A 168 70.020 9.800 -6.250 1.00 25.00 C ATOM 1381 C ASP A 168 70.950 9.590 -5.056 1.00 25.00 C ATOM 1382 O ASP A 168 71.859 8.754 -5.089 1.00 25.00 O ATOM 1383 CB ASP A 168 69.058 8.597 -6.367 1.00 25.00 C ATOM 1384 CG ASP A 168 69.458 7.604 -7.466 1.00 25.00 C ATOM 1385 OD1 ASP A 168 69.395 7.968 -8.672 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.752 6.440 -7.140 1.00 25.00 O1- ATOM 0 H ASP A 168 70.602 9.323 -8.204 1.00 25.00 H new ATOM 0 HA ASP A 168 69.414 10.696 -6.116 1.00 25.00 H new ATOM 0 HB2 ASP A 168 69.022 8.075 -5.411 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.051 8.964 -6.567 1.00 25.00 H new ATOM 1391 N GLY A 169 70.726 10.377 -4.015 1.00 25.00 N ATOM 1392 CA GLY A 169 71.530 10.292 -2.808 1.00 25.00 C ATOM 1393 C GLY A 169 72.585 11.377 -2.704 1.00 25.00 C ATOM 1394 O GLY A 169 73.170 11.556 -1.636 1.00 25.00 O ATOM 0 H GLY A 169 69.991 11.084 -3.983 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.874 10.350 -1.940 1.00 25.00 H new ATOM 0 HA3 GLY A 169 72.018 9.318 -2.774 1.00 25.00 H new ATOM 1398 N ASP A 170 72.828 12.115 -3.777 1.00 25.00 N ATOM 1399 CA ASP A 170 73.785 13.222 -3.715 1.00 25.00 C ATOM 1400 C ASP A 170 73.163 14.407 -2.975 1.00 25.00 C ATOM 1401 O ASP A 170 71.935 14.525 -2.845 1.00 25.00 O ATOM 1402 CB ASP A 170 74.225 13.666 -5.112 1.00 25.00 C ATOM 1403 CG ASP A 170 75.330 12.793 -5.686 1.00 25.00 C ATOM 1404 OD1 ASP A 170 75.944 11.992 -4.939 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.629 12.954 -6.884 1.00 25.00 O1- ATOM 0 H ASP A 170 72.388 11.976 -4.687 1.00 25.00 H new ATOM 0 HA ASP A 170 74.666 12.870 -3.178 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.366 13.645 -5.783 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.570 14.699 -5.068 1.00 25.00 H new ATOM 1410 N VAL A 171 74.026 15.286 -2.484 1.00 25.00 N ATOM 1411 CA VAL A 171 73.599 16.444 -1.708 1.00 25.00 C ATOM 1412 C VAL A 171 74.169 17.736 -2.304 1.00 25.00 C ATOM 1413 O VAL A 171 75.328 17.803 -2.738 1.00 25.00 O ATOM 1414 CB VAL A 171 73.966 16.266 -0.191 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.436 15.888 -0.022 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.631 17.527 0.635 1.00 25.00 C ATOM 0 H VAL A 171 75.036 15.218 -2.611 1.00 25.00 H new ATOM 0 HA VAL A 171 72.513 16.522 -1.762 1.00 25.00 H new ATOM 0 HB VAL A 171 73.354 15.450 0.192 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.662 15.771 1.038 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.632 14.949 -0.540 1.00 25.00 H new ATOM 0 HG13 VAL A 171 76.064 16.673 -0.443 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.901 17.361 1.678 1.00 25.00 H new ATOM 0 HG22 VAL A 171 74.192 18.377 0.246 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.563 17.735 0.565 1.00 25.00 H new ATOM 1426 N VAL A 172 73.314 18.744 -2.354 1.00 25.00 N ATOM 1427 CA VAL A 172 73.615 20.046 -2.930 1.00 25.00 C ATOM 1428 C VAL A 172 73.581 21.061 -1.786 1.00 25.00 C ATOM 1429 O VAL A 172 72.795 20.922 -0.853 1.00 25.00 O ATOM 1430 CB VAL A 172 72.553 20.400 -4.016 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.918 21.687 -4.742 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.429 19.251 -5.038 1.00 25.00 C ATOM 0 H VAL A 172 72.365 18.678 -1.985 1.00 25.00 H new ATOM 0 HA VAL A 172 74.593 20.051 -3.411 1.00 25.00 H new ATOM 0 HB VAL A 172 71.597 20.544 -3.512 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.160 21.909 -5.493 1.00 25.00 H new ATOM 0 HG12 VAL A 172 72.970 22.507 -4.026 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.886 21.568 -5.228 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.684 19.512 -5.790 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.392 19.089 -5.522 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.123 18.339 -4.525 1.00 25.00 H new ATOM 1442 N ILE A 173 74.449 22.060 -1.834 1.00 25.00 N ATOM 1443 CA ILE A 173 74.545 23.063 -0.774 1.00 25.00 C ATOM 1444 C ILE A 173 74.250 24.440 -1.365 1.00 25.00 C ATOM 1445 O ILE A 173 74.822 24.831 -2.376 1.00 25.00 O ATOM 1446 CB ILE A 173 75.956 23.019 -0.119 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.096 21.726 0.713 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.216 24.280 0.745 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.533 21.405 1.164 1.00 25.00 C ATOM 0 H ILE A 173 75.105 22.202 -2.602 1.00 25.00 H new ATOM 0 HA ILE A 173 73.814 22.851 0.006 1.00 25.00 H new ATOM 0 HB ILE A 173 76.711 23.014 -0.905 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.462 21.808 1.596 1.00 25.00 H new ATOM 0 HG13 ILE A 173 75.718 20.889 0.126 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.210 24.219 1.189 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.153 25.170 0.119 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.469 24.339 1.536 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.535 20.481 1.742 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.171 21.287 0.288 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.911 22.220 1.782 1.00 25.00 H new ATOM 1461 N LEU A 174 73.346 25.163 -0.727 1.00 25.00 N ATOM 1462 CA LEU A 174 72.922 26.489 -1.164 1.00 25.00 C ATOM 1463 C LEU A 174 73.299 27.457 -0.042 1.00 25.00 C ATOM 1464 O LEU A 174 73.112 27.134 1.119 1.00 25.00 O ATOM 1465 CB LEU A 174 71.401 26.455 -1.385 1.00 25.00 C ATOM 1466 CG LEU A 174 70.778 27.399 -2.423 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.312 27.020 -2.618 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.876 28.850 -2.014 1.00 25.00 C ATOM 0 H LEU A 174 72.877 24.844 0.121 1.00 25.00 H new ATOM 0 HA LEU A 174 73.395 26.801 -2.095 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.132 25.436 -1.663 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.925 26.660 -0.426 1.00 25.00 H new ATOM 0 HG LEU A 174 71.334 27.288 -3.354 1.00 25.00 H new ATOM 0 HD11 LEU A 174 68.859 27.685 -3.354 1.00 25.00 H new ATOM 0 HD12 LEU A 174 69.246 25.990 -2.970 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.783 27.114 -1.670 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.421 29.476 -2.782 1.00 25.00 H new ATOM 0 HD22 LEU A 174 70.354 28.998 -1.069 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.924 29.125 -1.896 1.00 25.00 H new ATOM 1480 N ARG A 175 73.874 28.609 -0.364 1.00 25.00 N ATOM 1481 CA ARG A 175 74.283 29.581 0.663 1.00 25.00 C ATOM 1482 C ARG A 175 73.801 30.988 0.345 1.00 25.00 C ATOM 1483 O ARG A 175 74.055 31.503 -0.738 1.00 25.00 O ATOM 1484 CB ARG A 175 75.806 29.614 0.796 1.00 25.00 C ATOM 1485 CG ARG A 175 76.437 28.272 1.112 1.00 25.00 C ATOM 1486 CD ARG A 175 77.900 28.459 1.454 1.00 25.00 C ATOM 1487 NE ARG A 175 78.590 27.174 1.659 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.225 26.486 0.716 1.00 25.00 C ATOM 1489 NH1 ARG A 175 79.284 26.886 -0.530 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 79.818 25.368 1.039 1.00 25.00 N ATOM 0 H ARG A 175 74.070 28.900 -1.322 1.00 25.00 H new ATOM 0 HA ARG A 175 73.826 29.255 1.597 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.231 29.992 -0.134 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.075 30.322 1.580 1.00 25.00 H new ATOM 0 HG2 ARG A 175 75.916 27.803 1.947 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.337 27.603 0.257 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.392 29.010 0.652 1.00 25.00 H new ATOM 0 HD3 ARG A 175 77.986 29.064 2.356 1.00 25.00 H new ATOM 0 HE ARG A 175 78.580 26.781 2.600 1.00 25.00 H new ATOM 0 HH11 ARG A 175 78.831 27.757 -0.808 1.00 25.00 H new ATOM 0 HH12 ARG A 175 79.782 26.327 -1.222 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.789 25.035 2.003 1.00 25.00 H new ATOM 0 HH22 ARG A 175 80.310 24.828 0.327 1.00 25.00 H new ATOM 1504 N GLN A 176 73.142 31.619 1.320 1.00 25.00 N ATOM 1505 CA GLN A 176 72.636 33.004 1.239 1.00 25.00 C ATOM 1506 C GLN A 176 73.229 33.891 2.344 1.00 25.00 C ATOM 1507 O GLN A 176 73.474 33.541 3.487 1.00 25.00 O ATOM 1508 CB GLN A 176 71.089 32.987 1.276 1.00 25.00 C ATOM 1509 CG GLN A 176 70.444 34.368 0.975 1.00 25.00 C ATOM 1510 CD GLN A 176 70.088 35.142 2.230 1.00 25.00 C ATOM 1511 OE1 GLN A 176 70.522 34.906 3.341 1.00 25.00 O ATOM 1512 NE2 GLN A 176 69.229 36.132 2.079 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.479 35.006 1.976 1.00 25.00 O ATOM 0 H GLN A 176 72.937 31.174 2.215 1.00 25.00 H new ATOM 0 HA GLN A 176 72.957 33.444 0.294 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.725 32.259 0.551 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.761 32.649 2.259 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.132 34.961 0.372 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.544 34.220 0.378 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.854 36.345 1.155 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.940 36.684 2.886 1.00 25.00 H new