USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=16 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 170:sc= 0.815 USER MOD Set 1.2: A 163 SER OG : rot 74:sc= 0.936 USER MOD Set 2.1: A 107 CYS SG : rot 106:sc= 1.27 USER MOD Set 2.2: A 138 SER OG : rot 138:sc= 0.667 USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 101 MET CE :methyl -171:sc= -0.619 (180deg=-0.797) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 116 THR OG1 : rot 29:sc= 0.831 USER MOD Single : A 120 GLN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc=-0.00535 X(o=-0.0054,f=-0.5) USER MOD Single : A 134 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 145 SER OG : rot -86:sc= 0.389 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 TYR OH : rot 127:sc= 0.0828 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= 0.0236 K(o=0.024,f=-1.2) 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= 1.08 USER MOD Single : A 167 LYS NZ :NH3+ -168:sc= -0.0203 (180deg=-0.271) USER MOD Single : A 176 GLN : amide:sc= 0.144 K(o=0.14,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 306 N HIS A 100 63.475 8.918 -12.181 1.00 25.00 N ATOM 307 CA HIS A 100 63.361 9.985 -11.199 1.00 25.00 C ATOM 308 C HIS A 100 64.278 9.612 -10.057 1.00 25.00 C ATOM 309 O HIS A 100 64.682 8.458 -9.942 1.00 25.00 O ATOM 310 CB HIS A 100 61.913 10.165 -10.723 1.00 25.00 C ATOM 311 CG HIS A 100 61.398 9.027 -9.894 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.691 7.958 -10.389 1.00 25.00 N ATOM 313 CD2 HIS A 100 61.475 8.805 -8.551 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.380 7.161 -9.374 1.00 25.00 C ATOM 315 NE2 HIS A 100 60.832 7.627 -8.228 1.00 25.00 N ATOM 0 HA HIS A 100 63.648 10.943 -11.633 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.844 11.085 -10.142 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.268 10.288 -11.593 1.00 25.00 H new ATOM 0 HD2 HIS A 100 61.967 9.456 -7.843 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.823 6.241 -9.476 1.00 25.00 H new ATOM 0 HE2 HIS A 100 60.729 7.209 -7.303 1.00 25.00 H new ATOM 323 N MET A 101 64.646 10.592 -9.252 1.00 25.00 N ATOM 324 CA MET A 101 65.610 10.388 -8.188 1.00 25.00 C ATOM 325 C MET A 101 65.381 11.402 -7.072 1.00 25.00 C ATOM 326 O MET A 101 64.661 12.391 -7.258 1.00 25.00 O ATOM 327 CB MET A 101 67.019 10.571 -8.757 1.00 25.00 C ATOM 328 CG MET A 101 67.264 11.974 -9.274 1.00 25.00 C ATOM 329 SD MET A 101 68.813 12.130 -10.132 1.00 25.00 S ATOM 330 CE MET A 101 68.749 13.867 -10.490 1.00 25.00 C ATOM 0 H MET A 101 64.288 11.545 -9.317 1.00 25.00 H new ATOM 0 HA MET A 101 65.495 9.383 -7.782 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.751 10.340 -7.983 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.175 9.858 -9.566 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.452 12.256 -9.944 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.245 12.673 -8.438 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.562 14.129 -11.167 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.795 14.107 -10.959 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.851 14.433 -9.564 1.00 25.00 H new ATOM 340 N LEU A 102 66.013 11.169 -5.933 1.00 25.00 N ATOM 341 CA LEU A 102 65.948 12.067 -4.784 1.00 25.00 C ATOM 342 C LEU A 102 67.295 12.770 -4.604 1.00 25.00 C ATOM 343 O LEU A 102 68.340 12.123 -4.599 1.00 25.00 O ATOM 344 CB LEU A 102 65.639 11.244 -3.526 1.00 25.00 C ATOM 345 CG LEU A 102 65.407 12.030 -2.224 1.00 25.00 C ATOM 346 CD1 LEU A 102 64.025 12.686 -2.224 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.527 11.094 -1.026 1.00 25.00 C ATOM 0 H LEU A 102 66.592 10.344 -5.775 1.00 25.00 H new ATOM 0 HA LEU A 102 65.169 12.812 -4.946 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.751 10.643 -3.723 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.464 10.551 -3.362 1.00 25.00 H new ATOM 0 HG LEU A 102 66.164 12.811 -2.156 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.883 13.236 -1.294 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.948 13.373 -3.067 1.00 25.00 H new ATOM 0 HD13 LEU A 102 63.257 11.917 -2.311 1.00 25.00 H new ATOM 0 HD21 LEU A 102 65.362 11.656 -0.107 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.782 10.303 -1.106 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.524 10.653 -1.007 1.00 25.00 H new ATOM 359 N LEU A 103 67.268 14.080 -4.407 1.00 25.00 N ATOM 360 CA LEU A 103 68.480 14.845 -4.095 1.00 25.00 C ATOM 361 C LEU A 103 68.248 15.562 -2.783 1.00 25.00 C ATOM 362 O LEU A 103 67.131 15.987 -2.505 1.00 25.00 O ATOM 363 CB LEU A 103 68.786 15.883 -5.180 1.00 25.00 C ATOM 364 CG LEU A 103 69.234 15.352 -6.550 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.450 16.533 -7.487 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.517 14.555 -6.446 1.00 25.00 C ATOM 0 H LEU A 103 66.419 14.643 -4.457 1.00 25.00 H new ATOM 0 HA LEU A 103 69.327 14.161 -4.037 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.893 16.491 -5.328 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.564 16.547 -4.803 1.00 25.00 H new ATOM 0 HG LEU A 103 68.458 14.690 -6.934 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.769 16.169 -8.464 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.518 17.089 -7.593 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.218 17.188 -7.076 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.803 14.195 -7.434 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.308 15.190 -6.048 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.364 13.705 -5.781 1.00 25.00 H new ATOM 378 N THR A 104 69.294 15.717 -1.989 1.00 25.00 N ATOM 379 CA THR A 104 69.185 16.412 -0.707 1.00 25.00 C ATOM 380 C THR A 104 69.808 17.786 -0.858 1.00 25.00 C ATOM 381 O THR A 104 70.862 17.926 -1.462 1.00 25.00 O ATOM 382 CB THR A 104 69.898 15.623 0.407 1.00 25.00 C ATOM 383 OG1 THR A 104 69.375 14.292 0.439 1.00 25.00 O ATOM 384 CG2 THR A 104 69.671 16.252 1.777 1.00 25.00 C ATOM 0 H THR A 104 70.230 15.373 -2.205 1.00 25.00 H new ATOM 0 HA THR A 104 68.135 16.502 -0.427 1.00 25.00 H new ATOM 0 HB THR A 104 70.966 15.629 0.191 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.824 13.781 1.144 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.190 15.667 2.536 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.057 17.271 1.778 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.604 16.268 1.998 1.00 25.00 H new ATOM 392 N VAL A 105 69.144 18.806 -0.344 1.00 25.00 N ATOM 393 CA VAL A 105 69.626 20.174 -0.456 1.00 25.00 C ATOM 394 C VAL A 105 69.725 20.791 0.932 1.00 25.00 C ATOM 395 O VAL A 105 68.778 20.749 1.713 1.00 25.00 O ATOM 396 CB VAL A 105 68.677 21.026 -1.333 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.234 22.441 -1.518 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.468 20.366 -2.709 1.00 25.00 C ATOM 0 H VAL A 105 68.262 18.713 0.159 1.00 25.00 H new ATOM 0 HA VAL A 105 70.608 20.157 -0.928 1.00 25.00 H new ATOM 0 HB VAL A 105 67.716 21.089 -0.822 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.551 23.023 -2.137 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.339 22.921 -0.545 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.208 22.388 -2.003 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.798 20.981 -3.310 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.428 20.272 -3.217 1.00 25.00 H new ATOM 0 HG23 VAL A 105 68.030 19.377 -2.575 1.00 25.00 H new ATOM 408 N TYR A 106 70.874 21.368 1.235 1.00 25.00 N ATOM 409 CA TYR A 106 71.098 22.047 2.502 1.00 25.00 C ATOM 410 C TYR A 106 71.293 23.522 2.182 1.00 25.00 C ATOM 411 O TYR A 106 72.165 23.871 1.398 1.00 25.00 O ATOM 412 CB TYR A 106 72.341 21.466 3.184 1.00 25.00 C ATOM 413 CG TYR A 106 72.373 21.695 4.678 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.479 22.994 5.215 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.287 20.606 5.572 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.484 23.201 6.615 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.294 20.814 6.976 1.00 25.00 C ATOM 418 CZ TYR A 106 72.386 22.113 7.481 1.00 25.00 C ATOM 419 OH TYR A 106 72.381 22.325 8.834 1.00 25.00 O ATOM 0 H TYR A 106 71.680 21.380 0.610 1.00 25.00 H new ATOM 0 HA TYR A 106 70.257 21.915 3.183 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.386 20.395 2.988 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.231 21.909 2.738 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.557 23.841 4.550 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.215 19.601 5.183 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.564 24.202 7.013 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.229 19.973 7.650 1.00 25.00 H new ATOM 0 HH TYR A 106 72.306 21.466 9.299 1.00 25.00 H new ATOM 429 N CYS A 107 70.473 24.387 2.754 1.00 25.00 N ATOM 430 CA CYS A 107 70.580 25.816 2.497 1.00 25.00 C ATOM 431 C CYS A 107 71.104 26.503 3.743 1.00 25.00 C ATOM 432 O CYS A 107 70.452 26.507 4.778 1.00 25.00 O ATOM 433 CB CYS A 107 69.214 26.381 2.122 1.00 25.00 C ATOM 434 SG CYS A 107 68.548 25.643 0.615 1.00 25.00 S ATOM 0 H CYS A 107 69.726 24.127 3.399 1.00 25.00 H new ATOM 0 HA CYS A 107 71.267 25.990 1.669 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.517 26.213 2.943 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.295 27.460 1.989 1.00 25.00 H new ATOM 0 HG CYS A 107 67.585 24.825 0.921 1.00 25.00 H new ATOM 440 N VAL A 108 72.279 27.098 3.623 1.00 25.00 N ATOM 441 CA VAL A 108 72.945 27.746 4.744 1.00 25.00 C ATOM 442 C VAL A 108 72.761 29.250 4.679 1.00 25.00 C ATOM 443 O VAL A 108 73.254 29.915 3.758 1.00 25.00 O ATOM 444 CB VAL A 108 74.471 27.432 4.749 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.156 28.095 5.956 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.707 25.916 4.784 1.00 25.00 C ATOM 0 H VAL A 108 72.799 27.146 2.747 1.00 25.00 H new ATOM 0 HA VAL A 108 72.493 27.357 5.657 1.00 25.00 H new ATOM 0 HB VAL A 108 74.904 27.836 3.834 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.221 27.864 5.942 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.018 29.175 5.905 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.715 27.716 6.878 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.778 25.715 4.787 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.257 25.498 5.684 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.254 25.457 3.905 1.00 25.00 H new ATOM 456 N ARG A 109 72.088 29.803 5.675 1.00 25.00 N ATOM 457 CA ARG A 109 71.984 31.253 5.802 1.00 25.00 C ATOM 458 C ARG A 109 73.120 31.690 6.702 1.00 25.00 C ATOM 459 O ARG A 109 73.494 30.973 7.620 1.00 25.00 O ATOM 460 CB ARG A 109 70.638 31.669 6.393 1.00 25.00 C ATOM 461 CG ARG A 109 69.898 32.634 5.485 1.00 25.00 C ATOM 462 CD ARG A 109 68.662 33.209 6.144 1.00 25.00 C ATOM 463 NE ARG A 109 67.960 34.110 5.222 1.00 25.00 N ATOM 464 CZ ARG A 109 66.915 34.865 5.528 1.00 25.00 C ATOM 465 NH1 ARG A 109 66.397 34.893 6.731 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 66.385 35.608 4.598 1.00 25.00 N ATOM 0 H ARG A 109 71.607 29.276 6.404 1.00 25.00 H new ATOM 0 HA ARG A 109 72.049 31.727 4.823 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.025 30.783 6.559 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.796 32.134 7.366 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.566 33.446 5.200 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.612 32.120 4.568 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.997 32.402 6.450 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.943 33.750 7.048 1.00 25.00 H new ATOM 0 HE ARG A 109 68.306 34.159 4.264 1.00 25.00 H new ATOM 0 HH11 ARG A 109 66.799 34.320 7.473 1.00 25.00 H new ATOM 0 HH12 ARG A 109 65.592 35.488 6.926 1.00 25.00 H new ATOM 0 HH21 ARG A 109 66.775 35.601 3.656 1.00 25.00 H new ATOM 0 HH22 ARG A 109 65.580 36.197 4.812 1.00 25.00 H new ATOM 480 N ARG A 110 73.664 32.872 6.449 1.00 25.00 N ATOM 481 CA ARG A 110 74.783 33.395 7.248 1.00 25.00 C ATOM 482 C ARG A 110 74.361 33.566 8.703 1.00 25.00 C ATOM 483 O ARG A 110 75.163 33.452 9.618 1.00 25.00 O ATOM 484 CB ARG A 110 75.240 34.743 6.679 1.00 25.00 C ATOM 485 CG ARG A 110 76.501 35.288 7.337 1.00 25.00 C ATOM 486 CD ARG A 110 76.949 36.583 6.690 1.00 25.00 C ATOM 487 NE ARG A 110 78.187 37.078 7.314 1.00 25.00 N ATOM 488 CZ ARG A 110 78.856 38.162 6.937 1.00 25.00 C ATOM 489 NH1 ARG A 110 78.465 38.914 5.938 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 79.939 38.496 7.582 1.00 25.00 N ATOM 0 H ARG A 110 73.355 33.492 5.700 1.00 25.00 H new ATOM 0 HA ARG A 110 75.609 32.685 7.203 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.417 34.635 5.609 1.00 25.00 H new ATOM 0 HB3 ARG A 110 74.436 35.469 6.798 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.316 35.455 8.398 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.299 34.549 7.265 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.112 36.425 5.624 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.164 37.333 6.785 1.00 25.00 H new ATOM 0 HE ARG A 110 78.561 36.546 8.099 1.00 25.00 H new ATOM 0 HH11 ARG A 110 77.620 38.675 5.420 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.006 39.739 5.678 1.00 25.00 H new ATOM 0 HH21 ARG A 110 80.262 37.928 8.365 1.00 25.00 H new ATOM 0 HH22 ARG A 110 80.463 39.326 7.304 1.00 25.00 H new ATOM 504 N ASP A 111 73.082 33.829 8.880 1.00 25.00 N ATOM 505 CA ASP A 111 72.475 34.096 10.178 1.00 25.00 C ATOM 506 C ASP A 111 72.111 32.820 10.948 1.00 25.00 C ATOM 507 O ASP A 111 71.342 32.868 11.902 1.00 25.00 O ATOM 508 CB ASP A 111 71.214 34.925 9.929 1.00 25.00 C ATOM 509 CG ASP A 111 71.337 35.794 8.687 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.047 35.274 7.577 1.00 25.00 O ATOM 511 OD2 ASP A 111 71.848 36.928 8.786 1.00 25.00 O1- ATOM 0 H ASP A 111 72.415 33.865 8.109 1.00 25.00 H new ATOM 0 HA ASP A 111 73.199 34.627 10.797 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.358 34.259 9.822 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.019 35.557 10.795 1.00 25.00 H new ATOM 516 N LEU A 112 72.638 31.685 10.487 1.00 25.00 N ATOM 517 CA LEU A 112 72.400 30.353 11.084 1.00 25.00 C ATOM 518 C LEU A 112 70.914 29.988 11.106 1.00 25.00 C ATOM 519 O LEU A 112 70.449 29.194 11.909 1.00 25.00 O ATOM 520 CB LEU A 112 73.016 30.248 12.489 1.00 25.00 C ATOM 521 CG LEU A 112 74.522 30.557 12.588 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.957 30.487 14.051 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.365 29.580 11.752 1.00 25.00 C ATOM 0 H LEU A 112 73.254 31.656 9.675 1.00 25.00 H new ATOM 0 HA LEU A 112 72.901 29.627 10.443 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.481 30.929 13.151 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.846 29.239 12.865 1.00 25.00 H new ATOM 0 HG LEU A 112 74.686 31.559 12.191 1.00 25.00 H new ATOM 0 HD11 LEU A 112 76.022 30.705 14.125 1.00 25.00 H new ATOM 0 HD12 LEU A 112 74.396 31.218 14.633 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.764 29.488 14.441 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.420 29.834 11.850 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.202 28.563 12.107 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.071 29.650 10.705 1.00 25.00 H new ATOM 535 N SER A 113 70.196 30.550 10.150 1.00 25.00 N ATOM 536 CA SER A 113 68.772 30.289 9.922 1.00 25.00 C ATOM 537 C SER A 113 68.611 29.125 8.947 1.00 25.00 C ATOM 538 O SER A 113 67.727 29.131 8.101 1.00 25.00 O ATOM 539 CB SER A 113 68.095 31.527 9.362 1.00 25.00 C ATOM 540 OG SER A 113 68.434 32.672 10.123 1.00 25.00 O ATOM 0 H SER A 113 70.591 31.219 9.489 1.00 25.00 H new ATOM 0 HA SER A 113 68.303 30.031 10.872 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.394 31.673 8.324 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.014 31.389 9.366 1.00 25.00 H new ATOM 0 HG SER A 113 67.989 33.459 9.745 1.00 25.00 H new ATOM 546 N GLU A 114 69.622 28.274 8.919 1.00 25.00 N ATOM 547 CA GLU A 114 69.790 27.272 7.873 1.00 25.00 C ATOM 548 C GLU A 114 68.782 26.121 7.981 1.00 25.00 C ATOM 549 O GLU A 114 68.202 25.875 9.039 1.00 25.00 O ATOM 550 CB GLU A 114 71.225 26.733 7.953 1.00 25.00 C ATOM 551 CG GLU A 114 71.592 26.032 9.267 1.00 25.00 C ATOM 552 CD GLU A 114 73.083 25.709 9.344 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.801 25.960 8.348 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.548 25.261 10.412 1.00 25.00 O1- ATOM 0 H GLU A 114 70.357 28.256 9.626 1.00 25.00 H new ATOM 0 HA GLU A 114 69.604 27.747 6.910 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.378 26.033 7.132 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.916 27.562 7.798 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.315 26.668 10.107 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.016 25.111 9.360 1.00 25.00 H new ATOM 561 N VAL A 115 68.528 25.472 6.850 1.00 25.00 N ATOM 562 CA VAL A 115 67.486 24.452 6.736 1.00 25.00 C ATOM 563 C VAL A 115 67.962 23.420 5.720 1.00 25.00 C ATOM 564 O VAL A 115 68.802 23.724 4.874 1.00 25.00 O ATOM 565 CB VAL A 115 66.120 25.112 6.273 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.214 25.664 4.832 1.00 25.00 C ATOM 567 CG2 VAL A 115 64.937 24.133 6.391 1.00 25.00 C ATOM 0 H VAL A 115 69.039 25.637 5.983 1.00 25.00 H new ATOM 0 HA VAL A 115 67.307 23.974 7.699 1.00 25.00 H new ATOM 0 HB VAL A 115 65.935 25.946 6.950 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.260 26.108 4.550 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.996 26.422 4.783 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.453 24.851 4.146 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.022 24.627 6.064 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.123 23.261 5.764 1.00 25.00 H new ATOM 0 HG23 VAL A 115 64.828 23.818 7.429 1.00 25.00 H new ATOM 577 N THR A 116 67.424 22.214 5.775 1.00 25.00 N ATOM 578 CA THR A 116 67.732 21.197 4.782 1.00 25.00 C ATOM 579 C THR A 116 66.449 20.449 4.466 1.00 25.00 C ATOM 580 O THR A 116 65.543 20.378 5.299 1.00 25.00 O ATOM 581 CB THR A 116 68.858 20.241 5.261 1.00 25.00 C ATOM 582 OG1 THR A 116 69.246 19.372 4.192 1.00 25.00 O ATOM 583 CG2 THR A 116 68.429 19.389 6.448 1.00 25.00 C ATOM 0 H THR A 116 66.770 21.914 6.498 1.00 25.00 H new ATOM 0 HA THR A 116 68.115 21.669 3.877 1.00 25.00 H new ATOM 0 HB THR A 116 69.694 20.867 5.574 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.094 19.820 3.334 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.251 18.738 6.745 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.160 20.037 7.282 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.568 18.782 6.168 1.00 25.00 H new ATOM 591 N PHE A 117 66.356 19.958 3.243 1.00 25.00 N ATOM 592 CA PHE A 117 65.171 19.278 2.743 1.00 25.00 C ATOM 593 C PHE A 117 65.643 18.415 1.583 1.00 25.00 C ATOM 594 O PHE A 117 66.802 18.506 1.185 1.00 25.00 O ATOM 595 CB PHE A 117 64.125 20.302 2.278 1.00 25.00 C ATOM 596 CG PHE A 117 64.676 21.359 1.358 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.766 21.126 -0.027 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.094 22.604 1.872 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.257 22.126 -0.900 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.590 23.610 1.012 1.00 25.00 C ATOM 601 CZ PHE A 117 65.669 23.373 -0.378 1.00 25.00 C ATOM 0 H PHE A 117 67.110 20.020 2.559 1.00 25.00 H new ATOM 0 HA PHE A 117 64.696 18.672 3.515 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.317 19.776 1.769 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.690 20.786 3.153 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.457 20.172 -0.429 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.034 22.791 2.934 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.317 21.937 -1.962 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.908 24.559 1.417 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.043 24.141 -1.039 1.00 25.00 H new ATOM 611 N SER A 118 64.763 17.604 1.025 1.00 25.00 N ATOM 612 CA SER A 118 65.110 16.779 -0.126 1.00 25.00 C ATOM 613 C SER A 118 64.038 16.968 -1.183 1.00 25.00 C ATOM 614 O SER A 118 62.887 17.233 -0.854 1.00 25.00 O ATOM 615 CB SER A 118 65.217 15.308 0.276 1.00 25.00 C ATOM 616 OG SER A 118 66.207 15.124 1.276 1.00 25.00 O ATOM 0 H SER A 118 63.801 17.496 1.348 1.00 25.00 H new ATOM 0 HA SER A 118 66.080 17.081 -0.521 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.253 14.957 0.645 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.462 14.705 -0.599 1.00 25.00 H new ATOM 0 HG SER A 118 66.256 14.175 1.518 1.00 25.00 H new ATOM 622 N LEU A 119 64.427 16.860 -2.444 1.00 25.00 N ATOM 623 CA LEU A 119 63.517 17.082 -3.564 1.00 25.00 C ATOM 624 C LEU A 119 63.534 15.880 -4.487 1.00 25.00 C ATOM 625 O LEU A 119 64.571 15.242 -4.665 1.00 25.00 O ATOM 626 CB LEU A 119 63.950 18.316 -4.365 1.00 25.00 C ATOM 627 CG LEU A 119 63.921 19.679 -3.659 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.474 20.706 -4.632 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.512 20.080 -3.227 1.00 25.00 C ATOM 0 H LEU A 119 65.378 16.617 -2.722 1.00 25.00 H new ATOM 0 HA LEU A 119 62.514 17.236 -3.166 1.00 25.00 H new ATOM 0 HB2 LEU A 119 64.967 18.145 -4.719 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.312 18.383 -5.247 1.00 25.00 H new ATOM 0 HG LEU A 119 64.521 19.622 -2.750 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.469 21.690 -4.164 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.495 20.438 -4.902 1.00 25.00 H new ATOM 0 HD13 LEU A 119 63.855 20.728 -5.529 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.545 21.051 -2.733 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.866 20.141 -4.103 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.117 19.335 -2.536 1.00 25.00 H new ATOM 641 N GLN A 120 62.394 15.602 -5.097 1.00 25.00 N ATOM 642 CA GLN A 120 62.276 14.512 -6.066 1.00 25.00 C ATOM 643 C GLN A 120 62.221 15.138 -7.446 1.00 25.00 C ATOM 644 O GLN A 120 61.417 16.034 -7.696 1.00 25.00 O ATOM 645 CB GLN A 120 61.025 13.671 -5.813 1.00 25.00 C ATOM 646 CG GLN A 120 61.077 12.898 -4.507 1.00 25.00 C ATOM 647 CD GLN A 120 59.926 11.929 -4.366 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.769 12.312 -4.386 1.00 25.00 O ATOM 649 NE2 GLN A 120 60.239 10.666 -4.233 1.00 25.00 N ATOM 0 H GLN A 120 61.528 16.117 -4.940 1.00 25.00 H new ATOM 0 HA GLN A 120 63.130 13.841 -5.975 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.152 14.323 -5.807 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.894 12.970 -6.637 1.00 25.00 H new ATOM 0 HG2 GLN A 120 62.018 12.351 -4.449 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.063 13.599 -3.672 1.00 25.00 H new ATOM 0 HE21 GLN A 120 61.219 10.382 -4.221 1.00 25.00 H new ATOM 0 HE22 GLN A 120 59.504 9.965 -4.142 1.00 25.00 H new ATOM 658 N VAL A 121 63.127 14.715 -8.309 1.00 25.00 N ATOM 659 CA VAL A 121 63.307 15.324 -9.626 1.00 25.00 C ATOM 660 C VAL A 121 63.638 14.248 -10.650 1.00 25.00 C ATOM 661 O VAL A 121 63.990 13.131 -10.296 1.00 25.00 O ATOM 662 CB VAL A 121 64.477 16.356 -9.588 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.094 17.571 -8.749 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.753 15.711 -9.007 1.00 25.00 C ATOM 0 H VAL A 121 63.762 13.939 -8.122 1.00 25.00 H new ATOM 0 HA VAL A 121 62.382 15.830 -9.902 1.00 25.00 H new ATOM 0 HB VAL A 121 64.674 16.677 -10.611 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.923 18.279 -8.735 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.215 18.049 -9.182 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.870 17.254 -7.730 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.557 16.447 -8.989 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.556 15.364 -7.993 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.049 14.866 -9.628 1.00 25.00 H new ATOM 674 N ASP A 122 63.535 14.595 -11.920 1.00 25.00 N ATOM 675 CA ASP A 122 63.929 13.699 -13.007 1.00 25.00 C ATOM 676 C ASP A 122 65.460 13.777 -13.115 1.00 25.00 C ATOM 677 O ASP A 122 66.054 14.799 -12.780 1.00 25.00 O ATOM 678 CB ASP A 122 63.239 14.162 -14.308 1.00 25.00 C ATOM 679 CG ASP A 122 63.340 13.144 -15.440 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.465 12.810 -15.844 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 62.291 12.744 -15.993 1.00 25.00 O1- ATOM 0 H ASP A 122 63.179 15.498 -12.232 1.00 25.00 H new ATOM 0 HA ASP A 122 63.629 12.667 -12.825 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.188 14.363 -14.102 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.685 15.102 -14.633 1.00 25.00 H new ATOM 686 N ALA A 123 66.105 12.725 -13.593 1.00 25.00 N ATOM 687 CA ALA A 123 67.548 12.760 -13.815 1.00 25.00 C ATOM 688 C ALA A 123 67.892 13.853 -14.843 1.00 25.00 C ATOM 689 O ALA A 123 68.934 14.507 -14.769 1.00 25.00 O ATOM 690 CB ALA A 123 68.024 11.388 -14.306 1.00 25.00 C ATOM 0 H ALA A 123 65.659 11.840 -13.834 1.00 25.00 H new ATOM 0 HA ALA A 123 68.056 12.994 -12.879 1.00 25.00 H new ATOM 0 HB1 ALA A 123 69.101 11.414 -14.472 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.791 10.632 -13.556 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.519 11.141 -15.240 1.00 25.00 H new ATOM 696 N ASP A 124 66.995 14.042 -15.796 1.00 25.00 N ATOM 697 CA ASP A 124 67.189 14.985 -16.896 1.00 25.00 C ATOM 698 C ASP A 124 66.595 16.366 -16.593 1.00 25.00 C ATOM 699 O ASP A 124 66.483 17.218 -17.469 1.00 25.00 O ATOM 700 CB ASP A 124 66.517 14.410 -18.139 1.00 25.00 C ATOM 701 CG ASP A 124 67.342 14.587 -19.404 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.494 15.084 -19.347 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.852 14.118 -20.461 1.00 25.00 O1- ATOM 0 H ASP A 124 66.105 13.545 -15.833 1.00 25.00 H new ATOM 0 HA ASP A 124 68.260 15.120 -17.047 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.327 13.348 -17.983 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.548 14.890 -18.275 1.00 25.00 H new ATOM 708 N PHE A 125 66.191 16.572 -15.348 1.00 25.00 N ATOM 709 CA PHE A 125 65.591 17.837 -14.919 1.00 25.00 C ATOM 710 C PHE A 125 66.630 18.956 -15.042 1.00 25.00 C ATOM 711 O PHE A 125 67.794 18.755 -14.710 1.00 25.00 O ATOM 712 CB PHE A 125 65.141 17.679 -13.467 1.00 25.00 C ATOM 713 CG PHE A 125 64.095 18.648 -13.026 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.758 18.476 -13.427 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.417 19.697 -12.149 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.749 19.349 -12.965 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.414 20.567 -11.674 1.00 25.00 C ATOM 718 CZ PHE A 125 62.077 20.395 -12.087 1.00 25.00 C ATOM 0 H PHE A 125 66.267 15.875 -14.607 1.00 25.00 H new ATOM 0 HA PHE A 125 64.734 18.093 -15.542 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.761 16.667 -13.328 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.011 17.785 -12.818 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.500 17.668 -14.095 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.441 19.838 -11.836 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.727 19.213 -13.286 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.670 21.366 -10.993 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.309 21.065 -11.730 1.00 25.00 H new ATOM 728 N GLU A 126 66.223 20.118 -15.535 1.00 25.00 N ATOM 729 CA GLU A 126 67.155 21.235 -15.725 1.00 25.00 C ATOM 730 C GLU A 126 67.649 21.775 -14.391 1.00 25.00 C ATOM 731 O GLU A 126 66.866 21.919 -13.453 1.00 25.00 O ATOM 732 CB GLU A 126 66.465 22.405 -16.430 1.00 25.00 C ATOM 733 CG GLU A 126 65.980 22.135 -17.840 1.00 25.00 C ATOM 734 CD GLU A 126 65.338 23.379 -18.464 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.165 24.394 -17.743 1.00 25.00 O ATOM 736 OE2 GLU A 126 64.989 23.336 -19.657 1.00 25.00 O1- ATOM 0 H GLU A 126 65.261 20.317 -15.811 1.00 25.00 H new ATOM 0 HA GLU A 126 67.983 20.846 -16.318 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.612 22.716 -15.826 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.158 23.246 -16.460 1.00 25.00 H new ATOM 0 HG2 GLU A 126 66.817 21.809 -18.457 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.257 21.320 -17.827 1.00 25.00 H new ATOM 743 N LEU A 127 68.908 22.195 -14.337 1.00 25.00 N ATOM 744 CA LEU A 127 69.434 22.889 -13.160 1.00 25.00 C ATOM 745 C LEU A 127 68.668 24.203 -13.001 1.00 25.00 C ATOM 746 O LEU A 127 68.391 24.651 -11.890 1.00 25.00 O ATOM 747 CB LEU A 127 70.943 23.144 -13.323 1.00 25.00 C ATOM 748 CG LEU A 127 71.756 23.730 -12.142 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.746 25.261 -12.129 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.287 23.202 -10.784 1.00 25.00 C ATOM 0 H LEU A 127 69.584 22.069 -15.090 1.00 25.00 H new ATOM 0 HA LEU A 127 69.301 22.278 -12.267 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.405 22.196 -13.597 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.069 23.817 -14.171 1.00 25.00 H new ATOM 0 HG LEU A 127 72.779 23.392 -12.305 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.330 25.621 -11.282 1.00 25.00 H new ATOM 0 HD12 LEU A 127 72.181 25.636 -13.055 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.720 25.617 -12.040 1.00 25.00 H new ATOM 0 HD21 LEU A 127 71.891 23.646 -9.993 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.240 23.466 -10.633 1.00 25.00 H new ATOM 0 HD23 LEU A 127 71.395 22.118 -10.758 1.00 25.00 H new ATOM 762 N HIS A 128 68.266 24.777 -14.126 1.00 25.00 N ATOM 763 CA HIS A 128 67.448 25.986 -14.138 1.00 25.00 C ATOM 764 C HIS A 128 66.170 25.809 -13.313 1.00 25.00 C ATOM 765 O HIS A 128 65.845 26.642 -12.469 1.00 25.00 O ATOM 766 CB HIS A 128 67.071 26.307 -15.582 1.00 25.00 C ATOM 767 CG HIS A 128 66.206 27.514 -15.727 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.038 27.538 -16.442 1.00 25.00 N ATOM 769 CD2 HIS A 128 66.348 28.775 -15.237 1.00 25.00 C ATOM 770 CE1 HIS A 128 64.529 28.764 -16.364 1.00 25.00 C ATOM 771 NE2 HIS A 128 65.294 29.564 -15.646 1.00 25.00 N ATOM 0 H HIS A 128 68.495 24.421 -15.054 1.00 25.00 H new ATOM 0 HA HIS A 128 68.025 26.798 -13.696 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.983 26.454 -16.161 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.555 25.449 -16.012 1.00 25.00 H new ATOM 0 HD2 HIS A 128 67.167 29.109 -14.618 1.00 25.00 H new ATOM 0 HE1 HIS A 128 63.604 29.067 -16.831 1.00 25.00 H new ATOM 0 HE2 HIS A 128 65.139 30.551 -15.439 1.00 25.00 H new ATOM 779 N ASN A 129 65.464 24.712 -13.533 1.00 25.00 N ATOM 780 CA ASN A 129 64.238 24.443 -12.790 1.00 25.00 C ATOM 781 C ASN A 129 64.550 23.927 -11.384 1.00 25.00 C ATOM 782 O ASN A 129 63.808 24.181 -10.444 1.00 25.00 O ATOM 783 CB ASN A 129 63.371 23.437 -13.551 1.00 25.00 C ATOM 784 CG ASN A 129 62.806 24.014 -14.824 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.365 25.149 -14.855 1.00 25.00 O ATOM 786 ND2 ASN A 129 62.827 23.246 -15.876 1.00 25.00 N ATOM 0 H ASN A 129 65.714 23.996 -14.215 1.00 25.00 H new ATOM 0 HA ASN A 129 63.686 25.378 -12.689 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.966 22.555 -13.788 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.553 23.108 -12.910 1.00 25.00 H new ATOM 0 HD21 ASN A 129 62.466 23.590 -16.766 1.00 25.00 H new ATOM 0 HD22 ASN A 129 63.205 22.301 -15.810 1.00 25.00 H new ATOM 793 N PHE A 130 65.660 23.221 -11.227 1.00 25.00 N ATOM 794 CA PHE A 130 66.053 22.695 -9.919 1.00 25.00 C ATOM 795 C PHE A 130 66.315 23.812 -8.923 1.00 25.00 C ATOM 796 O PHE A 130 65.859 23.753 -7.784 1.00 25.00 O ATOM 797 CB PHE A 130 67.308 21.840 -10.052 1.00 25.00 C ATOM 798 CG PHE A 130 67.744 21.206 -8.761 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.959 20.209 -8.162 1.00 25.00 C ATOM 800 CD2 PHE A 130 68.946 21.594 -8.137 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.365 19.588 -6.957 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.366 20.980 -6.929 1.00 25.00 C ATOM 803 CZ PHE A 130 68.574 19.971 -6.343 1.00 25.00 C ATOM 0 H PHE A 130 66.306 22.997 -11.984 1.00 25.00 H new ATOM 0 HA PHE A 130 65.226 22.088 -9.549 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.128 21.057 -10.789 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.120 22.458 -10.436 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.031 19.911 -8.628 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.554 22.367 -8.583 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.749 18.822 -6.509 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.290 21.284 -6.459 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.893 19.494 -5.428 1.00 25.00 H new ATOM 813 N ARG A 131 67.017 24.854 -9.348 1.00 25.00 N ATOM 814 CA ARG A 131 67.279 25.978 -8.449 1.00 25.00 C ATOM 815 C ARG A 131 65.976 26.700 -8.117 1.00 25.00 C ATOM 816 O ARG A 131 65.860 27.271 -7.051 1.00 25.00 O ATOM 817 CB ARG A 131 68.332 26.951 -9.011 1.00 25.00 C ATOM 818 CG ARG A 131 67.887 27.763 -10.217 1.00 25.00 C ATOM 819 CD ARG A 131 68.846 28.903 -10.510 1.00 25.00 C ATOM 820 NE ARG A 131 68.289 29.809 -11.532 1.00 25.00 N ATOM 821 CZ ARG A 131 67.409 30.781 -11.300 1.00 25.00 C ATOM 822 NH1 ARG A 131 66.944 31.045 -10.101 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 66.982 31.502 -12.299 1.00 25.00 N ATOM 0 H ARG A 131 67.408 24.948 -10.285 1.00 25.00 H new ATOM 0 HA ARG A 131 67.700 25.572 -7.529 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.626 27.639 -8.219 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.220 26.381 -9.285 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.818 27.112 -11.089 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.889 28.163 -10.038 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.046 29.460 -9.595 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.799 28.502 -10.854 1.00 25.00 H new ATOM 0 HE ARG A 131 68.603 29.681 -12.494 1.00 25.00 H new ATOM 0 HH11 ARG A 131 67.256 30.495 -9.300 1.00 25.00 H new ATOM 0 HH12 ARG A 131 66.270 31.800 -9.970 1.00 25.00 H new ATOM 0 HH21 ARG A 131 67.322 31.318 -13.243 1.00 25.00 H new ATOM 0 HH22 ARG A 131 66.308 32.250 -12.137 1.00 25.00 H new ATOM 837 N ALA A 132 64.996 26.655 -9.014 1.00 25.00 N ATOM 838 CA ALA A 132 63.700 27.280 -8.759 1.00 25.00 C ATOM 839 C ALA A 132 62.918 26.471 -7.712 1.00 25.00 C ATOM 840 O ALA A 132 62.284 27.041 -6.834 1.00 25.00 O ATOM 841 CB ALA A 132 62.900 27.400 -10.064 1.00 25.00 C ATOM 0 H ALA A 132 65.073 26.195 -9.921 1.00 25.00 H new ATOM 0 HA ALA A 132 63.864 28.283 -8.366 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.937 27.867 -9.859 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.455 28.011 -10.776 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.739 26.407 -10.485 1.00 25.00 H new ATOM 847 N LEU A 133 63.001 25.147 -7.774 1.00 25.00 N ATOM 848 CA LEU A 133 62.362 24.307 -6.753 1.00 25.00 C ATOM 849 C LEU A 133 63.029 24.563 -5.406 1.00 25.00 C ATOM 850 O LEU A 133 62.369 24.664 -4.385 1.00 25.00 O ATOM 851 CB LEU A 133 62.495 22.815 -7.080 1.00 25.00 C ATOM 852 CG LEU A 133 61.756 22.250 -8.301 1.00 25.00 C ATOM 853 CD1 LEU A 133 62.067 20.758 -8.396 1.00 25.00 C ATOM 854 CD2 LEU A 133 60.246 22.454 -8.211 1.00 25.00 C ATOM 0 H LEU A 133 63.494 24.634 -8.505 1.00 25.00 H new ATOM 0 HA LEU A 133 61.303 24.564 -6.725 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.556 22.600 -7.209 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.161 22.256 -6.206 1.00 25.00 H new ATOM 0 HG LEU A 133 62.097 22.783 -9.189 1.00 25.00 H new ATOM 0 HD11 LEU A 133 61.552 20.333 -9.258 1.00 25.00 H new ATOM 0 HD12 LEU A 133 63.142 20.617 -8.510 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.729 20.257 -7.489 1.00 25.00 H new ATOM 0 HD21 LEU A 133 59.769 22.037 -9.098 1.00 25.00 H new ATOM 0 HD22 LEU A 133 59.863 21.951 -7.323 1.00 25.00 H new ATOM 0 HD23 LEU A 133 60.026 23.520 -8.147 1.00 25.00 H new ATOM 866 N CYS A 134 64.348 24.688 -5.423 1.00 25.00 N ATOM 867 CA CYS A 134 65.110 24.970 -4.212 1.00 25.00 C ATOM 868 C CYS A 134 64.714 26.325 -3.626 1.00 25.00 C ATOM 869 O CYS A 134 64.580 26.468 -2.422 1.00 25.00 O ATOM 870 CB CYS A 134 66.604 24.980 -4.540 1.00 25.00 C ATOM 871 SG CYS A 134 67.642 25.328 -3.113 1.00 25.00 S ATOM 0 H CYS A 134 64.916 24.598 -6.265 1.00 25.00 H new ATOM 0 HA CYS A 134 64.894 24.194 -3.478 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.884 24.013 -4.957 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.795 25.727 -5.311 1.00 25.00 H new ATOM 0 HG CYS A 134 68.891 25.317 -3.472 1.00 25.00 H new ATOM 877 N GLU A 135 64.538 27.310 -4.491 1.00 25.00 N ATOM 878 CA GLU A 135 64.155 28.662 -4.086 1.00 25.00 C ATOM 879 C GLU A 135 62.786 28.632 -3.401 1.00 25.00 C ATOM 880 O GLU A 135 62.595 29.223 -2.333 1.00 25.00 O ATOM 881 CB GLU A 135 64.135 29.538 -5.351 1.00 25.00 C ATOM 882 CG GLU A 135 63.838 31.008 -5.166 1.00 25.00 C ATOM 883 CD GLU A 135 64.219 31.813 -6.415 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.049 31.308 -7.547 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.812 32.906 -6.255 1.00 25.00 O1- ATOM 0 H GLU A 135 64.656 27.199 -5.498 1.00 25.00 H new ATOM 0 HA GLU A 135 64.865 29.074 -3.369 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.105 29.448 -5.840 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.393 29.127 -6.036 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.778 31.143 -4.953 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.388 31.387 -4.304 1.00 25.00 H new ATOM 892 N LEU A 136 61.856 27.897 -3.994 1.00 25.00 N ATOM 893 CA LEU A 136 60.503 27.769 -3.457 1.00 25.00 C ATOM 894 C LEU A 136 60.472 27.045 -2.111 1.00 25.00 C ATOM 895 O LEU A 136 59.806 27.488 -1.182 1.00 25.00 O ATOM 896 CB LEU A 136 59.636 27.000 -4.465 1.00 25.00 C ATOM 897 CG LEU A 136 58.152 26.807 -4.104 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.405 28.142 -4.036 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.497 25.899 -5.146 1.00 25.00 C ATOM 0 H LEU A 136 62.013 27.374 -4.856 1.00 25.00 H new ATOM 0 HA LEU A 136 60.116 28.775 -3.294 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.687 27.519 -5.422 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.080 26.015 -4.612 1.00 25.00 H new ATOM 0 HG LEU A 136 58.098 26.350 -3.116 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.361 27.962 -3.779 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.862 28.776 -3.276 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.459 28.639 -5.005 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.445 25.758 -4.896 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.578 26.359 -6.131 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.001 24.932 -5.154 1.00 25.00 H new ATOM 911 N GLU A 137 61.167 25.920 -2.023 1.00 25.00 N ATOM 912 CA GLU A 137 61.142 25.089 -0.817 1.00 25.00 C ATOM 913 C GLU A 137 61.896 25.752 0.342 1.00 25.00 C ATOM 914 O GLU A 137 61.513 25.633 1.500 1.00 25.00 O ATOM 915 CB GLU A 137 61.766 23.723 -1.133 1.00 25.00 C ATOM 916 CG GLU A 137 61.434 22.617 -0.124 1.00 25.00 C ATOM 917 CD GLU A 137 59.986 22.136 -0.221 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.450 22.051 -1.352 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.397 21.802 0.831 1.00 25.00 O1- ATOM 0 H GLU A 137 61.758 25.557 -2.771 1.00 25.00 H new ATOM 0 HA GLU A 137 60.104 24.965 -0.507 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.432 23.406 -2.121 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.849 23.837 -1.184 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.103 21.772 -0.286 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.622 22.984 0.885 1.00 25.00 H new ATOM 926 N SER A 138 62.979 26.448 0.021 1.00 25.00 N ATOM 927 CA SER A 138 63.802 27.093 1.045 1.00 25.00 C ATOM 928 C SER A 138 63.224 28.440 1.475 1.00 25.00 C ATOM 929 O SER A 138 63.410 28.872 2.612 1.00 25.00 O ATOM 930 CB SER A 138 65.222 27.283 0.520 1.00 25.00 C ATOM 931 OG SER A 138 66.132 27.542 1.572 1.00 25.00 O ATOM 0 H SER A 138 63.310 26.582 -0.935 1.00 25.00 H new ATOM 0 HA SER A 138 63.814 26.444 1.920 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.534 26.390 -0.021 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.241 28.109 -0.191 1.00 25.00 H new ATOM 0 HG SER A 138 66.957 27.035 1.423 1.00 25.00 H new ATOM 937 N GLY A 139 62.530 29.116 0.568 1.00 25.00 N ATOM 938 CA GLY A 139 61.902 30.385 0.906 1.00 25.00 C ATOM 939 C GLY A 139 62.856 31.564 0.866 1.00 25.00 C ATOM 940 O GLY A 139 62.516 32.661 1.313 1.00 25.00 O ATOM 0 H GLY A 139 62.389 28.811 -0.395 1.00 25.00 H new ATOM 0 HA2 GLY A 139 61.080 30.570 0.214 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.469 30.312 1.904 1.00 25.00 H new ATOM 944 N ILE A 140 64.047 31.352 0.323 1.00 25.00 N ATOM 945 CA ILE A 140 65.043 32.416 0.186 1.00 25.00 C ATOM 946 C ILE A 140 65.445 32.522 -1.285 1.00 25.00 C ATOM 947 O ILE A 140 65.539 31.508 -1.982 1.00 25.00 O ATOM 948 CB ILE A 140 66.300 32.181 1.088 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.920 30.790 0.837 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.920 32.345 2.574 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.229 30.531 1.598 1.00 25.00 C ATOM 0 H ILE A 140 64.352 30.447 -0.034 1.00 25.00 H new ATOM 0 HA ILE A 140 64.596 33.351 0.524 1.00 25.00 H new ATOM 0 HB ILE A 140 67.050 32.928 0.828 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.194 30.026 1.117 1.00 25.00 H new ATOM 0 HG13 ILE A 140 67.106 30.676 -0.231 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.800 32.180 3.195 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.540 33.353 2.743 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.150 31.619 2.835 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.595 29.531 1.363 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.974 31.269 1.301 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.048 30.609 2.670 1.00 25.00 H new ATOM 963 N PRO A 141 65.629 33.756 -1.797 1.00 25.00 N ATOM 964 CA PRO A 141 65.913 33.844 -3.233 1.00 25.00 C ATOM 965 C PRO A 141 67.214 33.184 -3.683 1.00 25.00 C ATOM 966 O PRO A 141 68.291 33.415 -3.117 1.00 25.00 O ATOM 967 CB PRO A 141 65.980 35.357 -3.480 1.00 25.00 C ATOM 968 CG PRO A 141 65.200 35.954 -2.373 1.00 25.00 C ATOM 969 CD PRO A 141 65.531 35.099 -1.196 1.00 25.00 C ATOM 0 HA PRO A 141 65.152 33.309 -3.801 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.010 35.714 -3.476 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.556 35.619 -4.449 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.480 36.993 -2.203 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.131 35.943 -2.586 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.466 35.402 -0.724 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.757 35.146 -0.430 1.00 25.00 H new ATOM 977 N ALA A 142 67.117 32.425 -4.763 1.00 25.00 N ATOM 978 CA ALA A 142 68.275 31.842 -5.426 1.00 25.00 C ATOM 979 C ALA A 142 69.129 32.980 -5.992 1.00 25.00 C ATOM 980 O ALA A 142 70.331 32.851 -6.148 1.00 25.00 O ATOM 981 CB ALA A 142 67.821 30.896 -6.543 1.00 25.00 C ATOM 0 H ALA A 142 66.228 32.194 -5.207 1.00 25.00 H new ATOM 0 HA ALA A 142 68.864 31.261 -4.716 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.695 30.465 -7.032 1.00 25.00 H new ATOM 0 HB2 ALA A 142 67.212 30.098 -6.119 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.233 31.451 -7.273 1.00 25.00 H new ATOM 987 N ALA A 143 68.480 34.098 -6.289 1.00 25.00 N ATOM 988 CA ALA A 143 69.155 35.276 -6.829 1.00 25.00 C ATOM 989 C ALA A 143 70.125 35.912 -5.818 1.00 25.00 C ATOM 990 O ALA A 143 71.060 36.607 -6.200 1.00 25.00 O ATOM 991 CB ALA A 143 68.103 36.305 -7.265 1.00 25.00 C ATOM 0 H ALA A 143 67.475 34.216 -6.164 1.00 25.00 H new ATOM 0 HA ALA A 143 69.750 34.956 -7.684 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.601 37.186 -7.669 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.462 35.868 -8.031 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.497 36.593 -6.406 1.00 25.00 H new ATOM 997 N GLU A 144 69.877 35.690 -4.535 1.00 25.00 N ATOM 998 CA GLU A 144 70.684 36.287 -3.466 1.00 25.00 C ATOM 999 C GLU A 144 71.664 35.272 -2.883 1.00 25.00 C ATOM 1000 O GLU A 144 72.260 35.501 -1.829 1.00 25.00 O ATOM 1001 CB GLU A 144 69.763 36.776 -2.343 1.00 25.00 C ATOM 1002 CG GLU A 144 68.855 37.931 -2.740 1.00 25.00 C ATOM 1003 CD GLU A 144 67.954 38.372 -1.591 1.00 25.00 C ATOM 1004 OE1 GLU A 144 67.867 37.638 -0.578 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 67.323 39.440 -1.705 1.00 25.00 O1- ATOM 0 H GLU A 144 69.118 35.096 -4.201 1.00 25.00 H new ATOM 0 HA GLU A 144 71.246 37.118 -3.892 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.146 35.943 -2.005 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.375 37.084 -1.495 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.463 38.774 -3.068 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.240 37.633 -3.589 1.00 25.00 H new ATOM 1012 N SER A 145 71.795 34.127 -3.532 1.00 25.00 N ATOM 1013 CA SER A 145 72.599 33.037 -2.994 1.00 25.00 C ATOM 1014 C SER A 145 73.354 32.298 -4.089 1.00 25.00 C ATOM 1015 O SER A 145 73.170 32.558 -5.272 1.00 25.00 O ATOM 1016 CB SER A 145 71.673 32.076 -2.248 1.00 25.00 C ATOM 1017 OG SER A 145 70.646 31.598 -3.090 1.00 25.00 O ATOM 0 H SER A 145 71.357 33.926 -4.431 1.00 25.00 H new ATOM 0 HA SER A 145 73.345 33.451 -2.316 1.00 25.00 H new ATOM 0 HB2 SER A 145 72.251 31.236 -1.863 1.00 25.00 H new ATOM 0 HB3 SER A 145 71.235 32.583 -1.388 1.00 25.00 H new ATOM 0 HG SER A 145 69.897 32.230 -3.083 1.00 25.00 H new ATOM 1023 N GLN A 146 74.217 31.375 -3.690 1.00 25.00 N ATOM 1024 CA GLN A 146 74.954 30.552 -4.646 1.00 25.00 C ATOM 1025 C GLN A 146 74.777 29.088 -4.307 1.00 25.00 C ATOM 1026 O GLN A 146 74.848 28.695 -3.147 1.00 25.00 O ATOM 1027 CB GLN A 146 76.441 30.905 -4.652 1.00 25.00 C ATOM 1028 CG GLN A 146 76.725 32.290 -5.203 1.00 25.00 C ATOM 1029 CD GLN A 146 77.985 32.316 -6.031 1.00 25.00 C ATOM 1030 OE1 GLN A 146 79.088 32.320 -5.512 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.825 32.301 -7.328 1.00 25.00 N ATOM 0 H GLN A 146 74.426 31.175 -2.712 1.00 25.00 H new ATOM 0 HA GLN A 146 74.554 30.749 -5.641 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.827 30.840 -3.635 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.980 30.167 -5.246 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.883 32.618 -5.812 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.817 32.997 -4.379 1.00 25.00 H new ATOM 0 HE21 GLN A 146 76.886 32.298 -7.726 1.00 25.00 H new ATOM 0 HE22 GLN A 146 78.639 32.292 -7.942 1.00 25.00 H new ATOM 1040 N ILE A 147 74.536 28.293 -5.335 1.00 25.00 N ATOM 1041 CA ILE A 147 74.293 26.862 -5.192 1.00 25.00 C ATOM 1042 C ILE A 147 75.579 26.109 -5.581 1.00 25.00 C ATOM 1043 O ILE A 147 76.229 26.441 -6.576 1.00 25.00 O ATOM 1044 CB ILE A 147 73.059 26.453 -6.064 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.759 24.956 -5.892 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.272 26.862 -7.542 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.506 24.464 -6.649 1.00 25.00 C ATOM 0 H ILE A 147 74.503 28.621 -6.300 1.00 25.00 H new ATOM 0 HA ILE A 147 74.051 26.600 -4.162 1.00 25.00 H new ATOM 0 HB ILE A 147 72.178 26.994 -5.720 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.622 24.384 -6.233 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.634 24.743 -4.830 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.402 26.568 -8.130 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.405 27.942 -7.605 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.159 26.364 -7.933 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.370 23.397 -6.472 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.630 25.006 -6.293 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.633 24.641 -7.717 1.00 25.00 H new ATOM 1059 N VAL A 148 75.986 25.165 -4.744 1.00 25.00 N ATOM 1060 CA VAL A 148 77.270 24.461 -4.889 1.00 25.00 C ATOM 1061 C VAL A 148 77.105 22.953 -4.666 1.00 25.00 C ATOM 1062 O VAL A 148 76.461 22.525 -3.718 1.00 25.00 O ATOM 1063 CB VAL A 148 78.305 25.006 -3.831 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.672 24.306 -3.959 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.499 26.524 -3.999 1.00 25.00 C ATOM 0 H VAL A 148 75.439 24.859 -3.939 1.00 25.00 H new ATOM 0 HA VAL A 148 77.629 24.638 -5.903 1.00 25.00 H new ATOM 0 HB VAL A 148 77.897 24.793 -2.843 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.358 24.708 -3.214 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.549 23.235 -3.798 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.077 24.479 -4.956 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.216 26.883 -3.261 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.873 26.734 -5.001 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.545 27.031 -3.854 1.00 25.00 H new ATOM 1075 N TYR A 149 77.730 22.154 -5.518 1.00 25.00 N ATOM 1076 CA TYR A 149 77.748 20.697 -5.364 1.00 25.00 C ATOM 1077 C TYR A 149 79.119 20.217 -5.823 1.00 25.00 C ATOM 1078 O TYR A 149 79.692 20.802 -6.737 1.00 25.00 O ATOM 1079 CB TYR A 149 76.646 20.060 -6.208 1.00 25.00 C ATOM 1080 CG TYR A 149 76.901 18.611 -6.559 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.873 17.606 -5.568 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.177 18.235 -7.891 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.127 16.250 -5.904 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.409 16.876 -8.230 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.389 15.899 -7.231 1.00 25.00 C ATOM 1086 OH TYR A 149 77.624 14.589 -7.545 1.00 25.00 O ATOM 0 H TYR A 149 78.239 22.491 -6.335 1.00 25.00 H new ATOM 0 HA TYR A 149 77.568 20.413 -4.327 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.702 20.132 -5.668 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.531 20.632 -7.129 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.656 17.871 -4.544 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.212 18.990 -8.662 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.118 15.491 -5.135 1.00 25.00 H new ATOM 0 HE2 TYR A 149 77.600 16.598 -9.256 1.00 25.00 H new ATOM 0 HH TYR A 149 77.023 14.313 -8.268 1.00 25.00 H new ATOM 1096 N ALA A 150 79.659 19.200 -5.154 1.00 25.00 N ATOM 1097 CA ALA A 150 80.993 18.659 -5.451 1.00 25.00 C ATOM 1098 C ALA A 150 82.052 19.776 -5.486 1.00 25.00 C ATOM 1099 O ALA A 150 82.901 19.819 -6.375 1.00 25.00 O ATOM 1100 CB ALA A 150 80.967 17.870 -6.780 1.00 25.00 C ATOM 0 H ALA A 150 79.185 18.723 -4.387 1.00 25.00 H new ATOM 0 HA ALA A 150 81.271 17.973 -4.651 1.00 25.00 H new ATOM 0 HB1 ALA A 150 81.961 17.475 -6.988 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.258 17.046 -6.700 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.663 18.532 -7.591 1.00 25.00 H new ATOM 1106 N GLU A 151 81.940 20.688 -4.520 1.00 25.00 N ATOM 1107 CA GLU A 151 82.827 21.860 -4.363 1.00 25.00 C ATOM 1108 C GLU A 151 82.848 22.818 -5.571 1.00 25.00 C ATOM 1109 O GLU A 151 83.734 23.663 -5.685 1.00 25.00 O ATOM 1110 CB GLU A 151 84.259 21.419 -4.012 1.00 25.00 C ATOM 1111 CG GLU A 151 84.346 20.594 -2.734 1.00 25.00 C ATOM 1112 CD GLU A 151 85.786 20.310 -2.338 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.457 19.516 -3.033 1.00 25.00 O ATOM 1114 OE2 GLU A 151 86.252 20.897 -1.337 1.00 25.00 O1- ATOM 0 H GLU A 151 81.215 20.639 -3.804 1.00 25.00 H new ATOM 0 HA GLU A 151 82.398 22.431 -3.539 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.664 20.836 -4.839 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.887 22.303 -3.907 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.845 21.125 -1.925 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.816 19.652 -2.873 1.00 25.00 H new ATOM 1121 N ARG A 152 81.860 22.716 -6.452 1.00 25.00 N ATOM 1122 CA ARG A 152 81.784 23.578 -7.637 1.00 25.00 C ATOM 1123 C ARG A 152 80.428 24.271 -7.709 1.00 25.00 C ATOM 1124 O ARG A 152 79.396 23.645 -7.458 1.00 25.00 O ATOM 1125 CB ARG A 152 81.982 22.732 -8.896 1.00 25.00 C ATOM 1126 CG ARG A 152 83.339 22.047 -8.951 1.00 25.00 C ATOM 1127 CD ARG A 152 83.374 20.992 -10.029 1.00 25.00 C ATOM 1128 NE ARG A 152 84.537 20.110 -9.844 1.00 25.00 N ATOM 1129 CZ ARG A 152 84.872 19.104 -10.642 1.00 25.00 C ATOM 1130 NH1 ARG A 152 84.185 18.804 -11.717 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 85.920 18.386 -10.349 1.00 25.00 N ATOM 0 H ARG A 152 81.096 22.045 -6.372 1.00 25.00 H new ATOM 0 HA ARG A 152 82.565 24.335 -7.568 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.198 21.976 -8.945 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.867 23.367 -9.774 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.116 22.788 -9.138 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.559 21.592 -7.985 1.00 25.00 H new ATOM 0 HD2 ARG A 152 82.456 20.405 -10.002 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.421 21.466 -11.009 1.00 25.00 H new ATOM 0 HE ARG A 152 85.135 20.286 -9.036 1.00 25.00 H new ATOM 0 HH11 ARG A 152 83.361 19.352 -11.965 1.00 25.00 H new ATOM 0 HH12 ARG A 152 84.474 18.023 -12.306 1.00 25.00 H new ATOM 0 HH21 ARG A 152 86.469 18.601 -9.517 1.00 25.00 H new ATOM 0 HH22 ARG A 152 86.191 17.609 -10.952 1.00 25.00 H new ATOM 1145 N PRO A 153 80.403 25.573 -8.040 1.00 25.00 N ATOM 1146 CA PRO A 153 79.073 26.173 -8.138 1.00 25.00 C ATOM 1147 C PRO A 153 78.332 25.688 -9.379 1.00 25.00 C ATOM 1148 O PRO A 153 78.934 25.423 -10.422 1.00 25.00 O ATOM 1149 CB PRO A 153 79.375 27.669 -8.205 1.00 25.00 C ATOM 1150 CG PRO A 153 80.692 27.739 -8.880 1.00 25.00 C ATOM 1151 CD PRO A 153 81.460 26.554 -8.346 1.00 25.00 C ATOM 0 HA PRO A 153 78.420 25.909 -7.306 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.610 28.206 -8.766 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.412 28.114 -7.211 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.585 27.686 -9.963 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.203 28.676 -8.656 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.166 26.168 -9.081 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.036 26.815 -7.458 1.00 25.00 H new ATOM 1159 N LEU A 154 77.023 25.561 -9.260 1.00 25.00 N ATOM 1160 CA LEU A 154 76.192 25.083 -10.365 1.00 25.00 C ATOM 1161 C LEU A 154 75.677 26.291 -11.147 1.00 0.00 C ATOM 1162 O LEU A 154 74.589 26.792 -10.892 1.00 25.00 O ATOM 1163 CB LEU A 154 75.028 24.219 -9.844 1.00 25.00 C ATOM 1164 CG LEU A 154 75.398 23.015 -8.956 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.143 22.298 -8.471 1.00 25.00 C ATOM 1166 CD2 LEU A 154 76.245 22.032 -9.710 1.00 25.00 C ATOM 0 H LEU A 154 76.505 25.781 -8.409 1.00 25.00 H new ATOM 0 HA LEU A 154 76.787 24.452 -11.025 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.354 24.863 -9.279 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.469 23.848 -10.703 1.00 25.00 H new ATOM 0 HG LEU A 154 75.957 23.401 -8.104 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.426 21.451 -7.846 1.00 25.00 H new ATOM 0 HD12 LEU A 154 73.531 22.988 -7.891 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.573 21.941 -9.329 1.00 25.00 H new ATOM 0 HD21 LEU A 154 76.492 21.192 -9.061 1.00 25.00 H new ATOM 0 HD22 LEU A 154 75.696 21.670 -10.579 1.00 25.00 H new ATOM 0 HD23 LEU A 154 77.163 22.519 -10.038 1.00 25.00 H new ATOM 1178 N THR A 155 76.510 26.813 -12.038 1.00 25.00 N ATOM 1179 CA THR A 155 76.191 28.051 -12.761 1.00 25.00 C ATOM 1180 C THR A 155 75.619 27.818 -14.155 1.00 25.00 C ATOM 1181 O THR A 155 75.005 28.706 -14.735 1.00 25.00 O ATOM 1182 CB THR A 155 77.456 28.915 -12.932 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.444 28.168 -13.649 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.045 29.292 -11.583 1.00 25.00 C ATOM 0 H THR A 155 77.412 26.404 -12.282 1.00 25.00 H new ATOM 0 HA THR A 155 75.435 28.548 -12.153 1.00 25.00 H new ATOM 0 HB THR A 155 77.177 29.820 -13.472 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.250 28.715 -13.761 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.936 29.901 -11.733 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.310 29.858 -11.011 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.312 28.387 -11.037 1.00 25.00 H new ATOM 1192 N ASP A 156 75.842 26.636 -14.706 1.00 25.00 N ATOM 1193 CA ASP A 156 75.349 26.304 -16.044 1.00 25.00 C ATOM 1194 C ASP A 156 73.913 25.798 -15.901 1.00 25.00 C ATOM 1195 O ASP A 156 73.669 24.648 -15.529 1.00 25.00 O ATOM 1196 CB ASP A 156 76.258 25.254 -16.690 1.00 25.00 C ATOM 1197 CG ASP A 156 75.887 24.956 -18.131 1.00 25.00 C ATOM 1198 OD1 ASP A 156 74.760 25.286 -18.564 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 76.732 24.336 -18.822 1.00 25.00 O1- ATOM 0 H ASP A 156 76.362 25.885 -14.251 1.00 25.00 H new ATOM 0 HA ASP A 156 75.359 27.179 -16.693 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.290 25.601 -16.651 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.209 24.333 -16.110 1.00 25.00 H new ATOM 1204 N ASN A 157 72.966 26.694 -16.124 1.00 25.00 N ATOM 1205 CA ASN A 157 71.551 26.399 -15.920 1.00 25.00 C ATOM 1206 C ASN A 157 70.964 25.496 -16.999 1.00 25.00 C ATOM 1207 O ASN A 157 69.898 24.920 -16.805 1.00 25.00 O ATOM 1208 CB ASN A 157 70.764 27.711 -15.889 1.00 25.00 C ATOM 1209 CG ASN A 157 70.745 28.401 -17.229 1.00 25.00 C ATOM 1210 OD1 ASN A 157 71.728 28.993 -17.631 1.00 25.00 O ATOM 1211 ND2 ASN A 157 69.643 28.323 -17.925 1.00 25.00 N ATOM 0 H ASN A 157 73.151 27.643 -16.450 1.00 25.00 H new ATOM 0 HA ASN A 157 71.471 25.864 -14.973 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.741 27.510 -15.572 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.203 28.377 -15.146 1.00 25.00 H new ATOM 0 HD21 ASN A 157 69.586 28.768 -18.841 1.00 25.00 H new ATOM 0 HD22 ASN A 157 68.839 27.817 -17.553 1.00 25.00 H new ATOM 1218 N HIS A 158 71.635 25.399 -18.139 1.00 25.00 N ATOM 1219 CA HIS A 158 71.119 24.625 -19.267 1.00 25.00 C ATOM 1220 C HIS A 158 71.408 23.141 -19.102 1.00 25.00 C ATOM 1221 O HIS A 158 70.848 22.305 -19.804 1.00 25.00 O ATOM 1222 CB HIS A 158 71.741 25.129 -20.567 1.00 25.00 C ATOM 1223 CG HIS A 158 71.340 26.529 -20.915 1.00 25.00 C ATOM 1224 ND1 HIS A 158 70.107 26.879 -21.405 1.00 25.00 N ATOM 1225 CD2 HIS A 158 72.036 27.698 -20.838 1.00 25.00 C ATOM 1226 CE1 HIS A 158 70.099 28.192 -21.612 1.00 25.00 C ATOM 1227 NE2 HIS A 158 71.248 28.745 -21.281 1.00 25.00 N ATOM 0 H HIS A 158 72.536 25.845 -18.310 1.00 25.00 H new ATOM 0 HA HIS A 158 70.038 24.757 -19.299 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.827 25.080 -20.484 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.453 24.464 -21.381 1.00 25.00 H new ATOM 0 HD2 HIS A 158 73.052 27.793 -20.484 1.00 25.00 H new ATOM 0 HE1 HIS A 158 69.254 28.739 -22.004 1.00 25.00 H new ATOM 0 HE2 HIS A 158 71.502 29.731 -21.339 1.00 25.00 H new ATOM 1235 N ARG A 159 72.282 22.809 -18.167 1.00 25.00 N ATOM 1236 CA ARG A 159 72.595 21.411 -17.894 1.00 25.00 C ATOM 1237 C ARG A 159 71.479 20.756 -17.124 1.00 25.00 C ATOM 1238 O ARG A 159 70.878 21.366 -16.241 1.00 25.00 O ATOM 1239 CB ARG A 159 73.862 21.306 -17.061 1.00 25.00 C ATOM 1240 CG ARG A 159 75.100 21.441 -17.873 1.00 25.00 C ATOM 1241 CD ARG A 159 76.318 21.418 -16.990 1.00 25.00 C ATOM 1242 NE ARG A 159 77.507 21.707 -17.798 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.483 20.851 -18.072 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.507 19.623 -17.605 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.459 21.246 -18.839 1.00 25.00 N ATOM 0 H ARG A 159 72.785 23.480 -17.587 1.00 25.00 H new ATOM 0 HA ARG A 159 72.729 20.911 -18.853 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.851 22.079 -16.293 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.874 20.345 -16.546 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.155 20.630 -18.599 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.071 22.373 -18.438 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.218 22.155 -16.193 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.417 20.443 -16.512 1.00 25.00 H new ATOM 0 HE ARG A 159 77.591 22.648 -18.183 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.753 19.291 -17.004 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.280 19.001 -17.844 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.461 22.195 -19.214 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.221 20.607 -19.064 1.00 25.00 H new ATOM 1259 N SER A 160 71.277 19.480 -17.389 1.00 25.00 N ATOM 1260 CA SER A 160 70.401 18.674 -16.565 1.00 25.00 C ATOM 1261 C SER A 160 71.207 18.241 -15.348 1.00 25.00 C ATOM 1262 O SER A 160 72.435 18.342 -15.339 1.00 25.00 O ATOM 1263 CB SER A 160 69.899 17.459 -17.338 1.00 25.00 C ATOM 1264 OG SER A 160 70.968 16.646 -17.795 1.00 25.00 O ATOM 0 H SER A 160 71.707 18.981 -18.167 1.00 25.00 H new ATOM 0 HA SER A 160 69.523 19.246 -16.263 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.241 16.869 -16.700 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.305 17.790 -18.190 1.00 25.00 H new ATOM 0 HG SER A 160 70.612 15.802 -18.142 1.00 25.00 H new ATOM 1270 N LEU A 161 70.539 17.751 -14.323 1.00 25.00 N ATOM 1271 CA LEU A 161 71.220 17.318 -13.102 1.00 25.00 C ATOM 1272 C LEU A 161 72.144 16.127 -13.389 1.00 25.00 C ATOM 1273 O LEU A 161 73.277 16.064 -12.888 1.00 25.00 O ATOM 1274 CB LEU A 161 70.167 16.982 -12.044 1.00 25.00 C ATOM 1275 CG LEU A 161 69.279 18.187 -11.670 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.087 17.722 -10.885 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.037 19.242 -10.873 1.00 25.00 C ATOM 0 H LEU A 161 69.525 17.640 -14.303 1.00 25.00 H new ATOM 0 HA LEU A 161 71.853 18.121 -12.724 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.536 16.173 -12.412 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.666 16.614 -11.148 1.00 25.00 H new ATOM 0 HG LEU A 161 68.955 18.650 -12.602 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.466 18.579 -10.625 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.507 17.022 -11.486 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.422 17.227 -9.973 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.368 20.069 -10.635 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.412 18.801 -9.949 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.875 19.612 -11.464 1.00 25.00 H new ATOM 1289 N ALA A 162 71.717 15.243 -14.282 1.00 25.00 N ATOM 1290 CA ALA A 162 72.554 14.126 -14.721 1.00 25.00 C ATOM 1291 C ALA A 162 73.849 14.622 -15.383 1.00 25.00 C ATOM 1292 O ALA A 162 74.887 13.971 -15.286 1.00 25.00 O ATOM 1293 CB ALA A 162 71.771 13.240 -15.696 1.00 25.00 C ATOM 0 H ALA A 162 70.796 15.275 -14.719 1.00 25.00 H new ATOM 0 HA ALA A 162 72.829 13.544 -13.842 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.400 12.410 -16.019 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.882 12.850 -15.200 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.473 13.829 -16.564 1.00 25.00 H new ATOM 1299 N SER A 163 73.798 15.788 -16.014 1.00 25.00 N ATOM 1300 CA SER A 163 74.978 16.373 -16.664 1.00 25.00 C ATOM 1301 C SER A 163 76.006 16.876 -15.646 1.00 25.00 C ATOM 1302 O SER A 163 77.168 17.099 -15.993 1.00 25.00 O ATOM 1303 CB SER A 163 74.576 17.523 -17.586 1.00 25.00 C ATOM 1304 OG SER A 163 73.651 17.094 -18.569 1.00 25.00 O ATOM 0 H SER A 163 72.953 16.353 -16.093 1.00 25.00 H new ATOM 0 HA SER A 163 75.438 15.578 -17.251 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.137 18.328 -16.997 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.463 17.930 -18.071 1.00 25.00 H new ATOM 0 HG SER A 163 72.772 16.963 -18.156 1.00 25.00 H new ATOM 1310 N TYR A 164 75.591 17.041 -14.396 1.00 25.00 N ATOM 1311 CA TYR A 164 76.516 17.392 -13.316 1.00 25.00 C ATOM 1312 C TYR A 164 76.933 16.142 -12.549 1.00 25.00 C ATOM 1313 O TYR A 164 77.823 16.191 -11.708 1.00 25.00 O ATOM 1314 CB TYR A 164 75.850 18.342 -12.326 1.00 25.00 C ATOM 1315 CG TYR A 164 75.797 19.774 -12.782 1.00 25.00 C ATOM 1316 CD1 TYR A 164 76.954 20.580 -12.735 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.593 20.351 -13.230 1.00 25.00 C ATOM 1318 CE1 TYR A 164 76.899 21.948 -13.097 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.541 21.717 -13.595 1.00 25.00 C ATOM 1320 CZ TYR A 164 75.691 22.502 -13.508 1.00 25.00 C ATOM 1321 OH TYR A 164 75.639 23.826 -13.820 1.00 25.00 O ATOM 0 H TYR A 164 74.620 16.938 -14.101 1.00 25.00 H new ATOM 0 HA TYR A 164 77.385 17.869 -13.769 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.834 17.996 -12.136 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.386 18.294 -11.378 1.00 25.00 H new ATOM 0 HD1 TYR A 164 77.892 20.149 -12.419 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.701 19.745 -13.296 1.00 25.00 H new ATOM 0 HE1 TYR A 164 77.790 22.557 -13.054 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.614 22.151 -13.940 1.00 25.00 H new ATOM 0 HH TYR A 164 74.887 23.990 -14.426 1.00 25.00 H new ATOM 1331 N GLY A 165 76.261 15.031 -12.817 1.00 25.00 N ATOM 1332 CA GLY A 165 76.505 13.808 -12.072 1.00 25.00 C ATOM 1333 C GLY A 165 75.727 13.793 -10.770 1.00 25.00 C ATOM 1334 O GLY A 165 76.057 13.048 -9.850 1.00 25.00 O ATOM 0 H GLY A 165 75.547 14.953 -13.541 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.221 12.947 -12.678 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.571 13.713 -11.863 1.00 25.00 H new ATOM 1338 N LEU A 166 74.682 14.604 -10.689 1.00 25.00 N ATOM 1339 CA LEU A 166 73.859 14.653 -9.485 1.00 25.00 C ATOM 1340 C LEU A 166 72.974 13.421 -9.434 1.00 25.00 C ATOM 1341 O LEU A 166 71.845 13.428 -9.901 1.00 25.00 O ATOM 1342 CB LEU A 166 73.019 15.929 -9.467 1.00 25.00 C ATOM 1343 CG LEU A 166 73.813 17.133 -8.963 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.253 18.444 -9.461 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.814 17.119 -7.443 1.00 25.00 C ATOM 0 H LEU A 166 74.384 15.233 -11.435 1.00 25.00 H new ATOM 0 HA LEU A 166 74.501 14.664 -8.605 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.650 16.134 -10.472 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.146 15.779 -8.831 1.00 25.00 H new ATOM 0 HG LEU A 166 74.828 17.052 -9.351 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.854 19.267 -9.074 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.276 18.459 -10.551 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.224 18.554 -9.119 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.378 17.974 -7.072 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.788 17.175 -7.078 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.276 16.198 -7.088 1.00 25.00 H new ATOM 1357 N LYS A 167 73.546 12.346 -8.925 1.00 25.00 N ATOM 1358 CA LYS A 167 72.848 11.064 -8.779 1.00 25.00 C ATOM 1359 C LYS A 167 71.992 11.020 -7.517 1.00 25.00 C ATOM 1360 O LYS A 167 72.132 11.845 -6.624 1.00 25.00 O ATOM 1361 CB LYS A 167 73.868 9.930 -8.718 1.00 25.00 C ATOM 1362 CG LYS A 167 74.694 9.823 -9.976 1.00 25.00 C ATOM 1363 CD LYS A 167 75.654 8.656 -9.909 1.00 25.00 C ATOM 1364 CE LYS A 167 76.596 8.679 -11.103 1.00 25.00 C ATOM 1365 NZ LYS A 167 75.830 8.647 -12.398 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.512 12.328 -8.597 1.00 25.00 H new ATOM 0 HA LYS A 167 72.193 10.949 -9.642 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.529 10.087 -7.866 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.348 8.987 -8.548 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.035 9.705 -10.836 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.252 10.747 -10.126 1.00 25.00 H new ATOM 0 HD2 LYS A 167 76.228 8.701 -8.983 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.098 7.719 -9.894 1.00 25.00 H new ATOM 0 HE2 LYS A 167 77.215 9.576 -11.065 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.270 7.824 -11.055 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 76.485 8.459 -13.184 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 75.112 7.896 -12.358 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 75.363 9.564 -12.548 1.00 25.00 H new ATOM 1379 N ASP A 168 71.135 10.013 -7.441 1.00 25.00 N ATOM 1380 CA ASP A 168 70.280 9.814 -6.276 1.00 25.00 C ATOM 1381 C ASP A 168 71.113 9.761 -5.000 1.00 25.00 C ATOM 1382 O ASP A 168 72.100 9.026 -4.917 1.00 25.00 O ATOM 1383 CB ASP A 168 69.493 8.509 -6.425 1.00 25.00 C ATOM 1384 CG ASP A 168 68.396 8.373 -5.388 1.00 25.00 C ATOM 1385 OD1 ASP A 168 68.677 7.962 -4.248 1.00 25.00 O ATOM 1386 OD2 ASP A 168 67.236 8.680 -5.728 1.00 25.00 O1- ATOM 0 H ASP A 168 71.011 9.316 -8.176 1.00 25.00 H new ATOM 0 HA ASP A 168 69.588 10.654 -6.210 1.00 25.00 H new ATOM 0 HB2 ASP A 168 69.054 8.465 -7.422 1.00 25.00 H new ATOM 0 HB3 ASP A 168 70.176 7.664 -6.340 1.00 25.00 H new ATOM 1391 N GLY A 169 70.725 10.574 -4.030 1.00 25.00 N ATOM 1392 CA GLY A 169 71.412 10.619 -2.752 1.00 25.00 C ATOM 1393 C GLY A 169 72.458 11.712 -2.642 1.00 25.00 C ATOM 1394 O GLY A 169 72.947 11.973 -1.542 1.00 25.00 O ATOM 0 H GLY A 169 69.934 11.214 -4.106 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.675 10.758 -1.961 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.891 9.656 -2.576 1.00 25.00 H new ATOM 1398 N ASP A 170 72.805 12.364 -3.744 1.00 25.00 N ATOM 1399 CA ASP A 170 73.795 13.443 -3.685 1.00 25.00 C ATOM 1400 C ASP A 170 73.267 14.635 -2.886 1.00 25.00 C ATOM 1401 O ASP A 170 72.054 14.904 -2.840 1.00 25.00 O ATOM 1402 CB ASP A 170 74.204 13.904 -5.086 1.00 25.00 C ATOM 1403 CG ASP A 170 75.409 13.140 -5.619 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.403 13.017 -4.868 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.394 12.715 -6.796 1.00 25.00 O1- ATOM 0 H ASP A 170 72.428 12.174 -4.673 1.00 25.00 H new ATOM 0 HA ASP A 170 74.674 13.041 -3.180 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.364 13.774 -5.768 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.434 14.969 -5.063 1.00 25.00 H new ATOM 1410 N VAL A 171 74.192 15.340 -2.246 1.00 25.00 N ATOM 1411 CA VAL A 171 73.859 16.474 -1.383 1.00 25.00 C ATOM 1412 C VAL A 171 74.369 17.776 -1.997 1.00 25.00 C ATOM 1413 O VAL A 171 75.548 17.903 -2.340 1.00 25.00 O ATOM 1414 CB VAL A 171 74.465 16.297 0.043 1.00 25.00 C ATOM 1415 CG1 VAL A 171 74.027 17.451 0.974 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.027 14.950 0.654 1.00 25.00 C ATOM 0 H VAL A 171 75.191 15.145 -2.308 1.00 25.00 H new ATOM 0 HA VAL A 171 72.773 16.515 -1.295 1.00 25.00 H new ATOM 0 HB VAL A 171 75.551 16.312 -0.052 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.462 17.306 1.963 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.370 18.400 0.563 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.940 17.462 1.054 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.459 14.844 1.649 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.940 14.919 0.726 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.372 14.133 0.020 1.00 25.00 H new ATOM 1426 N VAL A 172 73.471 18.737 -2.132 1.00 25.00 N ATOM 1427 CA VAL A 172 73.779 20.039 -2.712 1.00 25.00 C ATOM 1428 C VAL A 172 73.741 21.071 -1.590 1.00 25.00 C ATOM 1429 O VAL A 172 72.873 21.005 -0.728 1.00 25.00 O ATOM 1430 CB VAL A 172 72.720 20.406 -3.790 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.107 21.691 -4.514 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.573 19.263 -4.801 1.00 25.00 C ATOM 0 H VAL A 172 72.499 18.638 -1.841 1.00 25.00 H new ATOM 0 HA VAL A 172 74.761 20.018 -3.184 1.00 25.00 H new ATOM 0 HB VAL A 172 71.765 20.564 -3.288 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.352 21.928 -5.263 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.174 22.508 -3.795 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.073 21.557 -5.002 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.829 19.533 -5.550 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.531 19.084 -5.290 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.255 18.358 -4.283 1.00 25.00 H new ATOM 1442 N ILE A 173 74.674 22.012 -1.583 1.00 25.00 N ATOM 1443 CA ILE A 173 74.721 23.036 -0.540 1.00 25.00 C ATOM 1444 C ILE A 173 74.535 24.416 -1.165 1.00 25.00 C ATOM 1445 O ILE A 173 75.338 24.862 -1.982 1.00 25.00 O ATOM 1446 CB ILE A 173 76.058 22.988 0.263 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.265 21.576 0.859 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.037 24.055 1.403 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.632 21.357 1.533 1.00 25.00 C ATOM 0 H ILE A 173 75.410 22.091 -2.285 1.00 25.00 H new ATOM 0 HA ILE A 173 73.911 22.836 0.161 1.00 25.00 H new ATOM 0 HB ILE A 173 76.885 23.211 -0.411 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.480 21.386 1.591 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.145 20.840 0.064 1.00 25.00 H new ATOM 0 HG21 ILE A 173 76.974 24.013 1.958 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.915 25.048 0.970 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.207 23.850 2.078 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.687 20.340 1.921 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.426 21.510 0.803 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.751 22.065 2.353 1.00 25.00 H new ATOM 1461 N LEU A 174 73.476 25.097 -0.766 1.00 25.00 N ATOM 1462 CA LEU A 174 73.201 26.457 -1.214 1.00 25.00 C ATOM 1463 C LEU A 174 73.614 27.381 -0.078 1.00 25.00 C ATOM 1464 O LEU A 174 73.386 27.072 1.080 1.00 25.00 O ATOM 1465 CB LEU A 174 71.711 26.613 -1.539 1.00 25.00 C ATOM 1466 CG LEU A 174 71.276 28.024 -1.972 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.328 27.954 -3.155 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.595 28.750 -0.811 1.00 25.00 C ATOM 0 H LEU A 174 72.779 24.725 -0.121 1.00 25.00 H new ATOM 0 HA LEU A 174 73.753 26.698 -2.122 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.454 25.912 -2.333 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.133 26.326 -0.661 1.00 25.00 H new ATOM 0 HG LEU A 174 72.168 28.577 -2.268 1.00 25.00 H new ATOM 0 HD11 LEU A 174 70.033 28.962 -3.445 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.827 27.467 -3.993 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.442 27.382 -2.878 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.293 29.747 -1.132 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.716 28.188 -0.496 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.291 28.833 0.024 1.00 25.00 H new ATOM 1480 N ARG A 175 74.256 28.495 -0.395 1.00 25.00 N ATOM 1481 CA ARG A 175 74.732 29.432 0.625 1.00 25.00 C ATOM 1482 C ARG A 175 74.236 30.840 0.344 1.00 25.00 C ATOM 1483 O ARG A 175 74.512 31.400 -0.715 1.00 25.00 O ATOM 1484 CB ARG A 175 76.260 29.429 0.651 1.00 25.00 C ATOM 1485 CG ARG A 175 76.865 28.072 1.020 1.00 25.00 C ATOM 1486 CD ARG A 175 78.379 28.100 0.902 1.00 25.00 C ATOM 1487 NE ARG A 175 78.986 29.017 1.881 1.00 25.00 N ATOM 1488 CZ ARG A 175 80.269 29.355 1.920 1.00 25.00 C ATOM 1489 NH1 ARG A 175 81.145 28.878 1.067 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.680 30.188 2.834 1.00 25.00 N ATOM 0 H ARG A 175 74.463 28.778 -1.353 1.00 25.00 H new ATOM 0 HA ARG A 175 74.342 29.113 1.592 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.632 29.729 -0.329 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.604 30.177 1.365 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.581 27.808 2.039 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.460 27.300 0.366 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.774 27.095 1.051 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.660 28.406 -0.106 1.00 25.00 H new ATOM 0 HE ARG A 175 78.372 29.425 2.585 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.848 28.224 0.343 1.00 25.00 H new ATOM 0 HH12 ARG A 175 82.123 29.161 1.128 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.018 30.572 3.509 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.663 30.456 2.875 1.00 25.00 H new ATOM 1504 N GLN A 176 73.518 31.418 1.313 1.00 25.00 N ATOM 1505 CA GLN A 176 73.022 32.804 1.243 1.00 25.00 C ATOM 1506 C GLN A 176 73.859 33.725 2.149 1.00 25.00 C ATOM 1507 O GLN A 176 74.803 34.377 1.770 1.00 25.00 O ATOM 1508 CB GLN A 176 71.496 32.894 1.537 1.00 25.00 C ATOM 1509 CG GLN A 176 70.964 34.309 1.215 1.00 25.00 C ATOM 1510 CD GLN A 176 69.505 34.450 1.555 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.020 34.079 2.596 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.751 35.045 0.658 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.566 33.728 3.313 1.00 25.00 O ATOM 0 H GLN A 176 73.261 30.937 2.175 1.00 25.00 H new ATOM 0 HA GLN A 176 73.146 33.157 0.219 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.961 32.154 0.942 1.00 25.00 H new ATOM 0 HB3 GLN A 176 71.307 32.658 2.584 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.540 35.049 1.771 1.00 25.00 H new ATOM 0 HG3 GLN A 176 71.112 34.520 0.156 1.00 25.00 H new ATOM 0 HE21 GLN A 176 69.158 35.360 -0.223 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.759 35.192 0.843 1.00 25.00 H new