USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 169:sc= 0.927 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.45) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 0.138 (180deg=0.0665) USER MOD Single : A 49 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.8!) USER MOD Single : A 50 MET CE :methyl -175:sc= -0.123 (180deg=-0.133) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -0.464 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 126:sc= 0.148 USER MOD Single : A 76 ASN : amide:sc= -8.34! C(o=-8.3!,f=-17!) USER MOD Single : A 77 TYR OH : rot 17:sc= 0.0884 USER MOD Single : A 83 SER OG : rot -160:sc= -0.91 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.463 -8.659 -15.309 1.00 0.00 N ATOM 324 CA ILE A 26 -2.644 -7.473 -15.491 1.00 0.00 C ATOM 325 C ILE A 26 -1.564 -7.434 -14.408 1.00 0.00 C ATOM 326 O ILE A 26 -1.828 -7.027 -13.277 1.00 0.00 O ATOM 327 CB ILE A 26 -3.520 -6.218 -15.531 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.336 -6.161 -16.824 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.680 -4.957 -15.327 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.479 -5.667 -17.992 1.00 0.00 C ATOM 0 HA ILE A 26 -2.132 -7.507 -16.452 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.229 -6.269 -14.705 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.732 -7.150 -17.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.191 -5.498 -16.690 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.326 -4.080 -15.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.182 -5.004 -14.359 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.932 -4.886 -16.117 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.083 -5.636 -18.899 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.104 -4.668 -17.771 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.639 -6.345 -18.139 1.00 0.00 H new ATOM 342 N ILE A 27 -0.370 -7.861 -14.791 1.00 0.00 N ATOM 343 CA ILE A 27 0.750 -7.881 -13.867 1.00 0.00 C ATOM 344 C ILE A 27 1.442 -6.516 -13.883 1.00 0.00 C ATOM 345 O ILE A 27 1.845 -6.032 -14.940 1.00 0.00 O ATOM 346 CB ILE A 27 1.687 -9.048 -14.185 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.895 -10.332 -14.440 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.732 -9.228 -13.082 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.332 -10.898 -13.134 1.00 0.00 C ATOM 0 H ILE A 27 -0.154 -8.196 -15.730 1.00 0.00 H new ATOM 0 HA ILE A 27 0.401 -8.051 -12.849 1.00 0.00 H new ATOM 0 HB ILE A 27 2.226 -8.814 -15.103 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.079 -10.129 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.539 -11.073 -14.914 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.385 -10.064 -13.333 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.325 -8.318 -12.991 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.231 -9.430 -12.135 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.226 -11.810 -13.344 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.152 -11.123 -12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.331 -10.164 -12.675 1.00 0.00 H new ATOM 361 N VAL A 28 1.558 -5.934 -12.699 1.00 0.00 N ATOM 362 CA VAL A 28 2.194 -4.635 -12.562 1.00 0.00 C ATOM 363 C VAL A 28 3.206 -4.683 -11.417 1.00 0.00 C ATOM 364 O VAL A 28 2.895 -5.166 -10.328 1.00 0.00 O ATOM 365 CB VAL A 28 1.131 -3.548 -12.375 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.165 -3.517 -13.561 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.377 -3.741 -11.058 1.00 0.00 C ATOM 0 H VAL A 28 1.222 -6.338 -11.825 1.00 0.00 H new ATOM 0 HA VAL A 28 2.743 -4.383 -13.469 1.00 0.00 H new ATOM 0 HB VAL A 28 1.639 -2.585 -12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.580 -2.737 -13.403 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.719 -3.310 -14.476 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.334 -4.482 -13.649 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.372 -2.957 -10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.114 -4.714 -11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.079 -3.690 -10.226 1.00 0.00 H new ATOM 377 N VAL A 29 4.398 -4.179 -11.700 1.00 0.00 N ATOM 378 CA VAL A 29 5.458 -4.160 -10.706 1.00 0.00 C ATOM 379 C VAL A 29 5.422 -2.827 -9.956 1.00 0.00 C ATOM 380 O VAL A 29 5.307 -1.767 -10.570 1.00 0.00 O ATOM 381 CB VAL A 29 6.807 -4.434 -11.375 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.326 -3.188 -12.095 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.829 -4.945 -10.357 1.00 0.00 C ATOM 0 H VAL A 29 4.653 -3.781 -12.604 1.00 0.00 H new ATOM 0 HA VAL A 29 5.308 -4.951 -9.971 1.00 0.00 H new ATOM 0 HB VAL A 29 6.658 -5.214 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.286 -3.411 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.612 -2.886 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.451 -2.378 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.779 -5.132 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.971 -4.197 -9.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.466 -5.871 -9.910 1.00 0.00 H new ATOM 393 N ALA A 30 5.526 -2.925 -8.638 1.00 0.00 N ATOM 394 CA ALA A 30 5.507 -1.739 -7.797 1.00 0.00 C ATOM 395 C ALA A 30 6.713 -0.861 -8.134 1.00 0.00 C ATOM 396 O ALA A 30 7.857 -1.301 -8.021 1.00 0.00 O ATOM 397 CB ALA A 30 5.482 -2.158 -6.325 1.00 0.00 C ATOM 0 H ALA A 30 5.624 -3.806 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 30 4.609 -1.150 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.468 -1.269 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.591 -2.755 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.370 -2.749 -6.100 1.00 0.00 H new ATOM 403 N LEU A 31 6.418 0.365 -8.539 1.00 0.00 N ATOM 404 CA LEU A 31 7.465 1.308 -8.893 1.00 0.00 C ATOM 405 C LEU A 31 8.136 1.821 -7.617 1.00 0.00 C ATOM 406 O LEU A 31 9.322 2.145 -7.623 1.00 0.00 O ATOM 407 CB LEU A 31 6.905 2.420 -9.783 1.00 0.00 C ATOM 408 CG LEU A 31 6.543 2.016 -11.214 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.192 3.242 -12.058 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.659 1.183 -11.847 1.00 0.00 C ATOM 0 H LEU A 31 5.469 0.727 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 31 8.237 0.816 -9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.014 2.827 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.638 3.226 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 31 5.654 1.387 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.939 2.927 -13.070 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.340 3.757 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.047 3.917 -12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.377 0.909 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.580 1.766 -11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.817 0.279 -11.258 1.00 0.00 H new ATOM 422 N TYR A 32 7.347 1.880 -6.554 1.00 0.00 N ATOM 423 CA TYR A 32 7.849 2.348 -5.274 1.00 0.00 C ATOM 424 C TYR A 32 7.256 1.535 -4.122 1.00 0.00 C ATOM 425 O TYR A 32 6.273 0.817 -4.305 1.00 0.00 O ATOM 426 CB TYR A 32 7.389 3.802 -5.147 1.00 0.00 C ATOM 427 CG TYR A 32 7.396 4.575 -6.467 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.552 5.193 -6.898 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.246 4.654 -7.226 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.558 5.920 -8.141 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.252 5.381 -8.468 1.00 0.00 C ATOM 432 CZ TYR A 32 7.408 5.978 -8.865 1.00 0.00 C ATOM 433 OH TYR A 32 7.414 6.666 -10.038 1.00 0.00 O ATOM 0 H TYR A 32 6.363 1.611 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 32 8.933 2.247 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.381 3.818 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.034 4.315 -4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.452 5.132 -6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.342 4.170 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.456 6.408 -8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.359 5.451 -9.071 1.00 0.00 H new ATOM 0 HH TYR A 32 6.525 6.622 -10.448 1.00 0.00 H new ATOM 443 N ASP A 33 7.877 1.674 -2.959 1.00 0.00 N ATOM 444 CA ASP A 33 7.423 0.961 -1.778 1.00 0.00 C ATOM 445 C ASP A 33 6.100 1.563 -1.302 1.00 0.00 C ATOM 446 O ASP A 33 5.942 2.783 -1.277 1.00 0.00 O ATOM 447 CB ASP A 33 8.436 1.084 -0.637 1.00 0.00 C ATOM 448 CG ASP A 33 8.836 2.517 -0.280 1.00 0.00 C ATOM 449 OD1 ASP A 33 9.672 3.075 -1.022 1.00 0.00 O ATOM 450 OD2 ASP A 33 8.296 3.022 0.728 1.00 0.00 O ATOM 0 H ASP A 33 8.691 2.270 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 33 7.304 -0.090 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.021 0.607 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.334 0.528 -0.907 1.00 0.00 H new ATOM 455 N TYR A 34 5.182 0.679 -0.937 1.00 0.00 N ATOM 456 CA TYR A 34 3.877 1.108 -0.463 1.00 0.00 C ATOM 457 C TYR A 34 3.415 0.254 0.719 1.00 0.00 C ATOM 458 O TYR A 34 3.596 -0.963 0.719 1.00 0.00 O ATOM 459 CB TYR A 34 2.914 0.900 -1.634 1.00 0.00 C ATOM 460 CG TYR A 34 1.544 1.551 -1.436 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.423 2.926 -1.472 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.431 0.765 -1.222 1.00 0.00 C ATOM 463 CE1 TYR A 34 0.133 3.539 -1.286 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.859 1.378 -1.037 1.00 0.00 C ATOM 465 CZ TYR A 34 -0.945 2.735 -1.077 1.00 0.00 C ATOM 466 OH TYR A 34 -2.162 3.315 -0.901 1.00 0.00 O ATOM 0 H TYR A 34 5.316 -0.332 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 34 3.912 2.145 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.368 1.301 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.777 -0.170 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.295 3.541 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.527 -0.310 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.024 4.613 -1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.739 0.774 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.860 2.628 -0.936 1.00 0.00 H new ATOM 476 N GLU A 35 2.828 0.925 1.699 1.00 0.00 N ATOM 477 CA GLU A 35 2.339 0.243 2.885 1.00 0.00 C ATOM 478 C GLU A 35 0.864 0.575 3.118 1.00 0.00 C ATOM 479 O GLU A 35 0.491 1.034 4.198 1.00 0.00 O ATOM 480 CB GLU A 35 3.182 0.601 4.111 1.00 0.00 C ATOM 481 CG GLU A 35 3.914 -0.629 4.650 1.00 0.00 C ATOM 482 CD GLU A 35 4.020 -0.578 6.176 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.407 0.498 6.683 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.712 -1.616 6.802 1.00 0.00 O ATOM 0 H GLU A 35 2.680 1.934 1.696 1.00 0.00 H new ATOM 0 HA GLU A 35 2.429 -0.831 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.905 1.373 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.541 1.017 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.385 -1.533 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.912 -0.683 4.214 1.00 0.00 H new ATOM 491 N ALA A 36 0.065 0.331 2.090 1.00 0.00 N ATOM 492 CA ALA A 36 -1.360 0.600 2.169 1.00 0.00 C ATOM 493 C ALA A 36 -1.588 1.902 2.940 1.00 0.00 C ATOM 494 O ALA A 36 -1.735 1.887 4.161 1.00 0.00 O ATOM 495 CB ALA A 36 -2.068 -0.592 2.817 1.00 0.00 C ATOM 0 H ALA A 36 0.378 -0.050 1.197 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.782 0.729 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.138 -0.391 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.900 -1.486 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.672 -0.749 3.820 1.00 0.00 H new ATOM 569 N ASP A 41 -6.737 -0.606 0.826 1.00 0.00 N ATOM 570 CA ASP A 41 -5.603 -0.657 -0.081 1.00 0.00 C ATOM 571 C ASP A 41 -4.691 -1.820 0.316 1.00 0.00 C ATOM 572 O ASP A 41 -4.816 -2.365 1.412 1.00 0.00 O ATOM 573 CB ASP A 41 -4.783 0.632 -0.010 1.00 0.00 C ATOM 574 CG ASP A 41 -5.276 1.763 -0.915 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.492 1.767 -1.208 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.427 2.598 -1.294 1.00 0.00 O ATOM 0 HA ASP A 41 -5.986 -0.785 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.780 0.987 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.750 0.402 -0.271 1.00 0.00 H new ATOM 581 N LEU A 42 -3.794 -2.164 -0.596 1.00 0.00 N ATOM 582 CA LEU A 42 -2.861 -3.252 -0.355 1.00 0.00 C ATOM 583 C LEU A 42 -1.455 -2.680 -0.163 1.00 0.00 C ATOM 584 O LEU A 42 -1.151 -1.594 -0.655 1.00 0.00 O ATOM 585 CB LEU A 42 -2.954 -4.294 -1.471 1.00 0.00 C ATOM 586 CG LEU A 42 -2.448 -5.696 -1.124 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.399 -6.398 -0.153 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.207 -6.522 -2.389 1.00 0.00 C ATOM 0 H LEU A 42 -3.693 -1.709 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.119 -3.779 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.996 -4.372 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.391 -3.929 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.488 -5.596 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.016 -7.392 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.475 -5.817 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.385 -6.486 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.848 -7.514 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.140 -6.616 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.462 -6.026 -3.011 1.00 0.00 H new ATOM 600 N SER A 43 -0.636 -3.436 0.550 1.00 0.00 N ATOM 601 CA SER A 43 0.732 -3.018 0.812 1.00 0.00 C ATOM 602 C SER A 43 1.707 -3.888 0.017 1.00 0.00 C ATOM 603 O SER A 43 1.568 -5.109 -0.018 1.00 0.00 O ATOM 604 CB SER A 43 1.053 -3.091 2.307 1.00 0.00 C ATOM 605 OG SER A 43 0.757 -4.372 2.855 1.00 0.00 O ATOM 0 H SER A 43 -0.892 -4.336 0.955 1.00 0.00 H new ATOM 0 HA SER A 43 0.839 -1.981 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.108 -2.865 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.482 -2.329 2.838 1.00 0.00 H new ATOM 0 HG SER A 43 0.977 -4.378 3.810 1.00 0.00 H new ATOM 611 N PHE A 44 2.672 -3.224 -0.602 1.00 0.00 N ATOM 612 CA PHE A 44 3.670 -3.922 -1.395 1.00 0.00 C ATOM 613 C PHE A 44 5.018 -3.199 -1.339 1.00 0.00 C ATOM 614 O PHE A 44 5.139 -2.152 -0.703 1.00 0.00 O ATOM 615 CB PHE A 44 3.169 -3.927 -2.840 1.00 0.00 C ATOM 616 CG PHE A 44 2.673 -2.566 -3.333 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.558 -1.655 -3.819 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.347 -2.268 -3.285 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.097 -0.393 -4.276 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.886 -1.005 -3.742 1.00 0.00 C ATOM 621 CZ PHE A 44 1.771 -0.094 -4.228 1.00 0.00 C ATOM 0 H PHE A 44 2.784 -2.211 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 44 3.812 -4.932 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.974 -4.266 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.360 -4.651 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.611 -1.892 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.644 -2.992 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.800 0.331 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.167 -0.768 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.421 0.867 -4.576 1.00 0.00 H new ATOM 631 N GLN A 45 5.997 -3.786 -2.012 1.00 0.00 N ATOM 632 CA GLN A 45 7.331 -3.211 -2.046 1.00 0.00 C ATOM 633 C GLN A 45 7.764 -2.964 -3.492 1.00 0.00 C ATOM 634 O GLN A 45 7.288 -3.631 -4.410 1.00 0.00 O ATOM 635 CB GLN A 45 8.333 -4.110 -1.319 1.00 0.00 C ATOM 636 CG GLN A 45 8.075 -4.110 0.189 1.00 0.00 C ATOM 637 CD GLN A 45 8.677 -5.354 0.847 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.551 -6.467 0.364 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.335 -5.104 1.976 1.00 0.00 N ATOM 0 H GLN A 45 5.893 -4.654 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 45 7.308 -2.254 -1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.261 -5.127 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.348 -3.765 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.505 -3.214 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.002 -4.077 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.403 -4.148 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.771 -5.868 2.492 1.00 0.00 H new ATOM 648 N LYS A 46 8.664 -2.004 -3.650 1.00 0.00 N ATOM 649 CA LYS A 46 9.167 -1.659 -4.969 1.00 0.00 C ATOM 650 C LYS A 46 9.760 -2.908 -5.626 1.00 0.00 C ATOM 651 O LYS A 46 10.821 -3.381 -5.223 1.00 0.00 O ATOM 652 CB LYS A 46 10.147 -0.488 -4.880 1.00 0.00 C ATOM 653 CG LYS A 46 11.070 -0.451 -6.100 1.00 0.00 C ATOM 654 CD LYS A 46 11.657 0.948 -6.300 1.00 0.00 C ATOM 655 CE LYS A 46 11.893 1.235 -7.784 1.00 0.00 C ATOM 656 NZ LYS A 46 12.123 2.681 -8.002 1.00 0.00 N ATOM 0 H LYS A 46 9.058 -1.454 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 46 8.354 -1.316 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.594 0.449 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.743 -0.576 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.877 -1.173 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.515 -0.747 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.979 1.694 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.597 1.033 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.753 0.666 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.032 0.906 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.558 2.826 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.215 3.187 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.757 3.047 -7.263 1.00 0.00 H new ATOM 670 N GLY A 47 9.047 -3.406 -6.626 1.00 0.00 N ATOM 671 CA GLY A 47 9.489 -4.590 -7.342 1.00 0.00 C ATOM 672 C GLY A 47 8.494 -5.739 -7.168 1.00 0.00 C ATOM 673 O GLY A 47 8.637 -6.789 -7.794 1.00 0.00 O ATOM 0 H GLY A 47 8.167 -3.011 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.601 -4.358 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.470 -4.895 -6.977 1.00 0.00 H new ATOM 677 N ASP A 48 7.509 -5.503 -6.315 1.00 0.00 N ATOM 678 CA ASP A 48 6.490 -6.505 -6.050 1.00 0.00 C ATOM 679 C ASP A 48 5.524 -6.567 -7.234 1.00 0.00 C ATOM 680 O ASP A 48 5.181 -5.540 -7.816 1.00 0.00 O ATOM 681 CB ASP A 48 5.684 -6.153 -4.799 1.00 0.00 C ATOM 682 CG ASP A 48 5.052 -7.347 -4.080 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.784 -8.351 -4.775 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.851 -7.229 -2.852 1.00 0.00 O ATOM 0 H ASP A 48 7.394 -4.632 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 48 6.989 -7.463 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.337 -5.631 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.894 -5.456 -5.078 1.00 0.00 H new ATOM 689 N GLN A 49 5.111 -7.785 -7.556 1.00 0.00 N ATOM 690 CA GLN A 49 4.191 -7.996 -8.660 1.00 0.00 C ATOM 691 C GLN A 49 2.801 -8.356 -8.131 1.00 0.00 C ATOM 692 O GLN A 49 2.667 -9.222 -7.267 1.00 0.00 O ATOM 693 CB GLN A 49 4.713 -9.075 -9.611 1.00 0.00 C ATOM 694 CG GLN A 49 6.061 -8.672 -10.210 1.00 0.00 C ATOM 695 CD GLN A 49 5.961 -8.512 -11.728 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.505 -9.286 -12.498 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.237 -7.464 -12.115 1.00 0.00 N ATOM 0 H GLN A 49 5.397 -8.635 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 49 4.114 -7.067 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.817 -10.018 -9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.991 -9.241 -10.410 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.396 -7.736 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.810 -9.426 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.808 -6.855 -11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.111 -7.270 -13.108 1.00 0.00 H new ATOM 706 N MET A 50 1.802 -7.674 -8.672 1.00 0.00 N ATOM 707 CA MET A 50 0.427 -7.913 -8.265 1.00 0.00 C ATOM 708 C MET A 50 -0.457 -8.220 -9.475 1.00 0.00 C ATOM 709 O MET A 50 -0.239 -7.683 -10.560 1.00 0.00 O ATOM 710 CB MET A 50 -0.111 -6.678 -7.539 1.00 0.00 C ATOM 711 CG MET A 50 0.810 -6.275 -6.385 1.00 0.00 C ATOM 712 SD MET A 50 0.435 -4.612 -5.857 1.00 0.00 S ATOM 713 CE MET A 50 1.859 -3.752 -6.505 1.00 0.00 C ATOM 0 H MET A 50 1.917 -6.957 -9.388 1.00 0.00 H new ATOM 0 HA MET A 50 0.409 -8.775 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.203 -5.850 -8.242 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.111 -6.884 -7.156 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.686 -6.967 -5.552 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.851 -6.339 -6.701 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.830 -2.710 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.769 -4.221 -6.130 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.848 -3.800 -7.594 1.00 0.00 H new ATOM 723 N VAL A 51 -1.437 -9.082 -9.248 1.00 0.00 N ATOM 724 CA VAL A 51 -2.356 -9.466 -10.306 1.00 0.00 C ATOM 725 C VAL A 51 -3.570 -8.535 -10.285 1.00 0.00 C ATOM 726 O VAL A 51 -4.525 -8.770 -9.547 1.00 0.00 O ATOM 727 CB VAL A 51 -2.733 -10.942 -10.161 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.925 -11.294 -11.053 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.536 -11.846 -10.463 1.00 0.00 C ATOM 0 H VAL A 51 -1.615 -9.526 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.881 -9.359 -11.281 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.028 -11.112 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.172 -12.349 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.784 -10.685 -10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.670 -11.100 -12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.831 -12.889 -10.353 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.196 -11.671 -11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.727 -11.622 -9.768 1.00 0.00 H new ATOM 739 N VAL A 52 -3.493 -7.497 -11.105 1.00 0.00 N ATOM 740 CA VAL A 52 -4.573 -6.529 -11.190 1.00 0.00 C ATOM 741 C VAL A 52 -5.843 -7.231 -11.676 1.00 0.00 C ATOM 742 O VAL A 52 -5.891 -7.729 -12.800 1.00 0.00 O ATOM 743 CB VAL A 52 -4.158 -5.358 -12.084 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.383 -4.654 -12.670 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.272 -4.373 -11.320 1.00 0.00 C ATOM 0 H VAL A 52 -2.699 -7.305 -11.716 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.788 -6.109 -10.207 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.575 -5.759 -12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.060 -3.826 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.959 -5.362 -13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.005 -4.272 -11.861 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.991 -3.551 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.819 -3.981 -10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.374 -4.884 -10.974 1.00 0.00 H new ATOM 755 N LEU A 53 -6.841 -7.247 -10.805 1.00 0.00 N ATOM 756 CA LEU A 53 -8.109 -7.879 -11.131 1.00 0.00 C ATOM 757 C LEU A 53 -9.084 -6.819 -11.647 1.00 0.00 C ATOM 758 O LEU A 53 -9.653 -6.968 -12.727 1.00 0.00 O ATOM 759 CB LEU A 53 -8.638 -8.670 -9.932 1.00 0.00 C ATOM 760 CG LEU A 53 -7.599 -9.481 -9.154 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.161 -9.941 -7.808 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.081 -10.653 -9.990 1.00 0.00 C ATOM 0 H LEU A 53 -6.798 -6.833 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.977 -8.608 -11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.116 -7.973 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.413 -9.351 -10.284 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.747 -8.835 -8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.403 -10.515 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.442 -9.071 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.039 -10.565 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.344 -11.213 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.912 -11.309 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.618 -10.274 -10.901 1.00 0.00 H new ATOM 774 N GLU A 54 -9.248 -5.773 -10.850 1.00 0.00 N ATOM 775 CA GLU A 54 -10.145 -4.689 -11.212 1.00 0.00 C ATOM 776 C GLU A 54 -9.360 -3.388 -11.391 1.00 0.00 C ATOM 777 O GLU A 54 -8.419 -3.120 -10.645 1.00 0.00 O ATOM 778 CB GLU A 54 -11.253 -4.523 -10.170 1.00 0.00 C ATOM 779 CG GLU A 54 -12.490 -5.341 -10.550 1.00 0.00 C ATOM 780 CD GLU A 54 -12.972 -4.984 -11.957 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.580 -3.900 -12.091 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.724 -5.804 -12.868 1.00 0.00 O ATOM 0 H GLU A 54 -8.774 -5.653 -9.955 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.619 -4.937 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.889 -4.840 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.521 -3.470 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.256 -6.405 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.288 -5.156 -9.831 1.00 0.00 H new ATOM 822 N GLU A 58 -7.907 4.757 -11.197 1.00 0.00 N ATOM 823 CA GLU A 58 -6.504 4.864 -10.836 1.00 0.00 C ATOM 824 C GLU A 58 -6.071 3.642 -10.024 1.00 0.00 C ATOM 825 O GLU A 58 -5.249 2.848 -10.482 1.00 0.00 O ATOM 826 CB GLU A 58 -6.233 6.159 -10.067 1.00 0.00 C ATOM 827 CG GLU A 58 -7.183 7.271 -10.513 1.00 0.00 C ATOM 828 CD GLU A 58 -6.664 8.643 -10.078 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.761 9.155 -10.774 1.00 0.00 O ATOM 830 OE2 GLU A 58 -7.182 9.148 -9.058 1.00 0.00 O ATOM 0 HA GLU A 58 -5.914 4.895 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.351 5.983 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.201 6.472 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.293 7.247 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.172 7.101 -10.088 1.00 0.00 H new ATOM 837 N TRP A 59 -6.642 3.529 -8.834 1.00 0.00 N ATOM 838 CA TRP A 59 -6.323 2.417 -7.954 1.00 0.00 C ATOM 839 C TRP A 59 -6.972 1.157 -8.532 1.00 0.00 C ATOM 840 O TRP A 59 -8.144 1.172 -8.905 1.00 0.00 O ATOM 841 CB TRP A 59 -6.764 2.711 -6.519 1.00 0.00 C ATOM 842 CG TRP A 59 -6.315 4.077 -5.997 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.838 5.279 -6.274 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.221 4.334 -5.091 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.165 6.288 -5.616 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.151 5.695 -4.873 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.321 3.446 -4.476 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.197 6.290 -4.039 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.374 4.056 -3.645 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.289 5.424 -3.415 1.00 0.00 C ATOM 0 H TRP A 59 -7.323 4.189 -8.458 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.245 2.262 -7.902 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.851 2.652 -6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.370 1.935 -5.863 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.681 5.438 -6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.373 7.285 -5.666 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.357 2.378 -4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.163 7.358 -3.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.659 3.418 -3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.527 5.818 -2.759 1.00 0.00 H new ATOM 861 N TRP A 60 -6.180 0.096 -8.589 1.00 0.00 N ATOM 862 CA TRP A 60 -6.662 -1.169 -9.115 1.00 0.00 C ATOM 863 C TRP A 60 -6.591 -2.206 -7.992 1.00 0.00 C ATOM 864 O TRP A 60 -5.748 -2.105 -7.101 1.00 0.00 O ATOM 865 CB TRP A 60 -5.872 -1.582 -10.359 1.00 0.00 C ATOM 866 CG TRP A 60 -5.651 -0.446 -11.361 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.433 0.619 -11.586 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.538 -0.304 -12.267 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.907 1.433 -12.568 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.718 0.854 -12.996 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.415 -1.127 -12.466 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.815 1.294 -13.972 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.523 -0.674 -13.445 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.689 0.490 -14.187 1.00 0.00 C ATOM 0 H TRP A 60 -5.208 0.087 -8.280 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.698 -1.080 -9.443 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.903 -1.973 -10.048 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.399 -2.396 -10.858 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.358 0.815 -11.064 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.316 2.300 -12.916 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.254 -2.037 -11.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.978 2.205 -14.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.644 -1.271 -13.638 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.953 0.773 -14.925 1.00 0.00 H new ATOM 885 N LYS A 61 -7.487 -3.179 -8.071 1.00 0.00 N ATOM 886 CA LYS A 61 -7.536 -4.233 -7.072 1.00 0.00 C ATOM 887 C LYS A 61 -6.725 -5.434 -7.562 1.00 0.00 C ATOM 888 O LYS A 61 -7.222 -6.246 -8.342 1.00 0.00 O ATOM 889 CB LYS A 61 -8.987 -4.572 -6.723 1.00 0.00 C ATOM 890 CG LYS A 61 -9.053 -5.658 -5.646 1.00 0.00 C ATOM 891 CD LYS A 61 -10.082 -6.730 -6.011 1.00 0.00 C ATOM 892 CE LYS A 61 -10.804 -7.242 -4.763 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.192 -7.635 -5.094 1.00 0.00 N ATOM 0 H LYS A 61 -8.184 -3.260 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.078 -3.898 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.499 -3.676 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.511 -4.910 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.071 -6.117 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.314 -5.209 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.808 -6.319 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.586 -7.559 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.267 -8.095 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.812 -6.467 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.669 -7.980 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.706 -6.812 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.178 -8.389 -5.810 1.00 0.00 H new ATOM 907 N ALA A 62 -5.491 -5.508 -7.088 1.00 0.00 N ATOM 908 CA ALA A 62 -4.606 -6.595 -7.469 1.00 0.00 C ATOM 909 C ALA A 62 -4.251 -7.418 -6.228 1.00 0.00 C ATOM 910 O ALA A 62 -4.369 -6.932 -5.103 1.00 0.00 O ATOM 911 CB ALA A 62 -3.367 -6.027 -8.165 1.00 0.00 C ATOM 0 H ALA A 62 -5.082 -4.832 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.101 -7.261 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.704 -6.843 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.670 -5.477 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.844 -5.355 -7.485 1.00 0.00 H new ATOM 917 N ARG A 63 -3.825 -8.647 -6.474 1.00 0.00 N ATOM 918 CA ARG A 63 -3.452 -9.541 -5.390 1.00 0.00 C ATOM 919 C ARG A 63 -1.936 -9.745 -5.367 1.00 0.00 C ATOM 920 O ARG A 63 -1.348 -10.172 -6.360 1.00 0.00 O ATOM 921 CB ARG A 63 -4.140 -10.899 -5.536 1.00 0.00 C ATOM 922 CG ARG A 63 -3.358 -11.992 -4.803 1.00 0.00 C ATOM 923 CD ARG A 63 -2.593 -12.875 -5.791 1.00 0.00 C ATOM 924 NE ARG A 63 -3.542 -13.688 -6.583 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.174 -14.548 -7.543 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.878 -14.711 -7.837 1.00 0.00 N ATOM 927 NH2 ARG A 63 -4.105 -15.244 -8.211 1.00 0.00 N ATOM 0 H ARG A 63 -3.729 -9.046 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.774 -9.081 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.153 -10.842 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.227 -11.155 -6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.660 -11.536 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.044 -12.605 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.991 -12.255 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.905 -13.526 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.538 -13.588 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.169 -14.180 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.599 -15.366 -8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.093 -15.119 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.826 -15.899 -8.942 1.00 0.00 H new ATOM 941 N SER A 64 -1.346 -9.428 -4.224 1.00 0.00 N ATOM 942 CA SER A 64 0.091 -9.571 -4.059 1.00 0.00 C ATOM 943 C SER A 64 0.518 -10.999 -4.403 1.00 0.00 C ATOM 944 O SER A 64 -0.089 -11.962 -3.937 1.00 0.00 O ATOM 945 CB SER A 64 0.519 -9.218 -2.634 1.00 0.00 C ATOM 946 OG SER A 64 1.529 -8.214 -2.613 1.00 0.00 O ATOM 0 H SER A 64 -1.836 -9.073 -3.403 1.00 0.00 H new ATOM 0 HA SER A 64 0.584 -8.877 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.348 -8.872 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.888 -10.114 -2.134 1.00 0.00 H new ATOM 0 HG SER A 64 1.774 -8.016 -1.685 1.00 0.00 H new ATOM 952 N LEU A 65 1.559 -11.091 -5.218 1.00 0.00 N ATOM 953 CA LEU A 65 2.075 -12.386 -5.629 1.00 0.00 C ATOM 954 C LEU A 65 3.133 -12.851 -4.628 1.00 0.00 C ATOM 955 O LEU A 65 3.973 -13.690 -4.951 1.00 0.00 O ATOM 956 CB LEU A 65 2.577 -12.328 -7.073 1.00 0.00 C ATOM 957 CG LEU A 65 1.520 -12.521 -8.160 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.419 -11.464 -8.048 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.158 -12.538 -9.550 1.00 0.00 C ATOM 0 H LEU A 65 2.059 -10.290 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 65 1.281 -13.132 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.059 -11.363 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.344 -13.092 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 65 1.050 -13.493 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.320 -11.624 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.063 -11.543 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.855 -10.471 -8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.383 -12.677 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.671 -11.593 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.875 -13.357 -9.611 1.00 0.00 H new ATOM 971 N ALA A 66 3.058 -12.287 -3.431 1.00 0.00 N ATOM 972 CA ALA A 66 4.000 -12.633 -2.380 1.00 0.00 C ATOM 973 C ALA A 66 3.235 -13.201 -1.182 1.00 0.00 C ATOM 974 O ALA A 66 3.700 -14.134 -0.529 1.00 0.00 O ATOM 975 CB ALA A 66 4.829 -11.402 -2.011 1.00 0.00 C ATOM 0 H ALA A 66 2.359 -11.593 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 66 4.693 -13.401 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.535 -11.662 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.375 -11.055 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.168 -10.610 -1.659 1.00 0.00 H new ATOM 981 N THR A 67 2.074 -12.616 -0.931 1.00 0.00 N ATOM 982 CA THR A 67 1.239 -13.052 0.176 1.00 0.00 C ATOM 983 C THR A 67 -0.134 -13.494 -0.334 1.00 0.00 C ATOM 984 O THR A 67 -0.954 -13.995 0.435 1.00 0.00 O ATOM 985 CB THR A 67 1.171 -11.913 1.194 1.00 0.00 C ATOM 986 OG1 THR A 67 1.051 -10.739 0.394 1.00 0.00 O ATOM 987 CG2 THR A 67 2.490 -11.718 1.945 1.00 0.00 C ATOM 0 H THR A 67 1.691 -11.843 -1.475 1.00 0.00 H new ATOM 0 HA THR A 67 1.663 -13.925 0.672 1.00 0.00 H new ATOM 0 HB THR A 67 0.373 -12.113 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.596 -10.022 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.387 -10.897 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.742 -12.633 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.283 -11.485 1.234 1.00 0.00 H new ATOM 995 N ARG A 68 -0.343 -13.294 -1.627 1.00 0.00 N ATOM 996 CA ARG A 68 -1.603 -13.666 -2.248 1.00 0.00 C ATOM 997 C ARG A 68 -2.748 -12.839 -1.661 1.00 0.00 C ATOM 998 O ARG A 68 -3.910 -13.237 -1.739 1.00 0.00 O ATOM 999 CB ARG A 68 -1.900 -15.154 -2.042 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.739 -16.018 -2.537 1.00 0.00 C ATOM 1001 CD ARG A 68 -1.181 -17.469 -2.738 1.00 0.00 C ATOM 1002 NE ARG A 68 -0.950 -17.879 -4.141 1.00 0.00 N ATOM 1003 CZ ARG A 68 0.228 -18.309 -4.612 1.00 0.00 C ATOM 1004 NH1 ARG A 68 1.288 -18.388 -3.797 1.00 0.00 N ATOM 1005 NH2 ARG A 68 0.346 -18.661 -5.900 1.00 0.00 N ATOM 0 H ARG A 68 0.339 -12.879 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.518 -13.468 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.079 -15.350 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.812 -15.424 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.357 -15.617 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.079 -15.980 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.628 -18.123 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.237 -17.574 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.736 -17.831 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.199 -18.121 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.185 -18.716 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.461 -18.601 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.243 -18.988 -6.259 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.382 -11.703 -1.087 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.364 -10.816 -0.488 1.00 0.00 C ATOM 1021 C LYS A 69 -4.193 -10.160 -1.594 1.00 0.00 C ATOM 1022 O LYS A 69 -3.967 -10.410 -2.776 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.683 -9.814 0.446 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.181 -10.503 1.717 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.112 -9.658 2.413 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.382 -9.563 3.916 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.162 -9.131 4.636 1.00 0.00 N ATOM 0 H LYS A 69 -1.418 -11.376 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.055 -11.380 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.847 -9.341 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.384 -9.023 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.016 -10.672 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.770 -11.481 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.129 -10.097 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.094 -8.658 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.191 -8.856 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.711 -10.531 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.363 -9.072 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.600 -9.820 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.135 -8.197 4.287 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.139 -9.333 -1.169 1.00 0.00 N ATOM 1042 CA GLU A 70 -6.003 -8.640 -2.108 1.00 0.00 C ATOM 1043 C GLU A 70 -6.395 -7.268 -1.555 1.00 0.00 C ATOM 1044 O GLU A 70 -6.866 -7.162 -0.424 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.243 -9.475 -2.433 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.951 -10.479 -3.549 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.088 -11.494 -3.685 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.205 -11.052 -4.030 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.813 -12.689 -3.440 1.00 0.00 O ATOM 0 H GLU A 70 -5.325 -9.128 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.452 -8.492 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.573 -10.005 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.059 -8.818 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.816 -9.950 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.017 -11.000 -3.339 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.187 -6.252 -2.379 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.513 -4.891 -1.986 1.00 0.00 C ATOM 1058 C GLY A 71 -6.202 -3.905 -3.115 1.00 0.00 C ATOM 1059 O GLY A 71 -5.411 -4.207 -4.007 1.00 0.00 O ATOM 0 H GLY A 71 -5.797 -6.343 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.569 -4.827 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.946 -4.620 -1.095 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.839 -2.746 -3.037 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.639 -1.714 -4.041 1.00 0.00 C ATOM 1065 C TYR A 72 -5.235 -1.115 -3.938 1.00 0.00 C ATOM 1066 O TYR A 72 -4.805 -0.712 -2.858 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.670 -0.625 -3.735 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.114 -1.036 -4.028 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.445 -1.563 -5.260 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.085 -0.878 -3.061 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.805 -1.949 -5.536 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.445 -1.264 -3.337 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.737 -1.781 -4.560 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.022 -2.146 -4.820 1.00 0.00 O ATOM 0 H TYR A 72 -7.494 -2.499 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.751 -2.126 -5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.588 -0.347 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.430 0.263 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.684 -1.686 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.826 -0.465 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.078 -2.362 -6.496 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.215 -1.145 -2.589 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.578 -1.970 -4.032 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.560 -1.074 -5.078 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.214 -0.529 -5.130 1.00 0.00 C ATOM 1086 C ILE A 73 -3.175 0.631 -6.126 1.00 0.00 C ATOM 1087 O ILE A 73 -3.965 0.672 -7.068 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.201 -1.635 -5.435 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.595 -2.407 -6.696 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.018 -2.560 -4.231 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.461 -2.396 -7.723 1.00 0.00 C ATOM 0 H ILE A 73 -4.920 -1.409 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.929 -0.125 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.236 -1.168 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.843 -3.436 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.490 -1.964 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.293 -3.336 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.658 -1.982 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.973 -3.022 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.767 -2.952 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.232 -1.367 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.575 -2.861 -7.291 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.225 1.572 -5.875 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.074 2.731 -6.739 1.00 0.00 C ATOM 1105 C PRO A 74 -1.399 2.348 -8.057 1.00 0.00 C ATOM 1106 O PRO A 74 -0.383 1.653 -8.061 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.265 3.725 -5.924 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.598 2.917 -4.822 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.273 1.557 -4.769 1.00 0.00 C ATOM 0 HA PRO A 74 -3.030 3.163 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.522 4.226 -6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.906 4.501 -5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.468 2.807 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.692 3.428 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.548 0.751 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.777 1.402 -3.815 1.00 0.00 H new ATOM 1117 N SER A 75 -1.989 2.818 -9.146 1.00 0.00 N ATOM 1118 CA SER A 75 -1.457 2.534 -10.468 1.00 0.00 C ATOM 1119 C SER A 75 -0.240 3.419 -10.744 1.00 0.00 C ATOM 1120 O SER A 75 0.620 3.065 -11.548 1.00 0.00 O ATOM 1121 CB SER A 75 -2.521 2.743 -11.547 1.00 0.00 C ATOM 1122 OG SER A 75 -1.953 2.812 -12.852 1.00 0.00 O ATOM 0 H SER A 75 -2.831 3.394 -9.140 1.00 0.00 H new ATOM 0 HA SER A 75 -1.151 1.488 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.242 1.926 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.070 3.662 -11.342 1.00 0.00 H new ATOM 0 HG SER A 75 -2.387 2.153 -13.433 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.207 4.554 -10.062 1.00 0.00 N ATOM 1129 CA ASN A 76 0.890 5.494 -10.224 1.00 0.00 C ATOM 1130 C ASN A 76 2.114 4.976 -9.465 1.00 0.00 C ATOM 1131 O ASN A 76 3.165 5.615 -9.465 1.00 0.00 O ATOM 1132 CB ASN A 76 0.528 6.867 -9.655 1.00 0.00 C ATOM 1133 CG ASN A 76 0.652 6.879 -8.130 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.600 5.856 -7.468 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.818 8.093 -7.610 1.00 0.00 N ATOM 0 H ASN A 76 -0.922 4.845 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 76 1.098 5.589 -11.290 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.183 7.626 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.491 7.127 -9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.910 8.207 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.853 8.909 -8.221 1.00 0.00 H new ATOM 1142 N TYR A 77 1.938 3.823 -8.838 1.00 0.00 N ATOM 1143 CA TYR A 77 3.015 3.212 -8.077 1.00 0.00 C ATOM 1144 C TYR A 77 3.369 1.833 -8.638 1.00 0.00 C ATOM 1145 O TYR A 77 4.108 1.076 -8.012 1.00 0.00 O ATOM 1146 CB TYR A 77 2.486 3.049 -6.651 1.00 0.00 C ATOM 1147 CG TYR A 77 3.118 4.006 -5.639 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.122 5.365 -5.883 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.684 3.511 -4.482 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.718 6.266 -4.931 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.280 4.412 -3.529 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.267 5.745 -3.801 1.00 0.00 C ATOM 1153 OH TYR A 77 4.829 6.596 -2.902 1.00 0.00 O ATOM 0 H TYR A 77 1.065 3.295 -8.841 1.00 0.00 H new ATOM 0 HA TYR A 77 3.913 3.828 -8.121 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.407 3.202 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.661 2.024 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.678 5.752 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.680 2.448 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.729 7.331 -5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.727 4.038 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 77 4.524 7.510 -3.081 1.00 0.00 H new ATOM 1163 N VAL A 78 2.823 1.548 -9.811 1.00 0.00 N ATOM 1164 CA VAL A 78 3.071 0.275 -10.463 1.00 0.00 C ATOM 1165 C VAL A 78 3.392 0.515 -11.940 1.00 0.00 C ATOM 1166 O VAL A 78 3.247 1.632 -12.436 1.00 0.00 O ATOM 1167 CB VAL A 78 1.878 -0.660 -10.256 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.553 -0.813 -8.768 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.657 -0.173 -11.038 1.00 0.00 C ATOM 0 H VAL A 78 2.209 2.178 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 78 3.936 -0.218 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 78 2.151 -1.642 -10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.701 -1.483 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.416 -1.228 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.310 0.162 -8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.177 -0.856 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.381 0.825 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.895 -0.141 -12.101 1.00 0.00 H new ATOM 1179 N ALA A 79 3.823 -0.549 -12.601 1.00 0.00 N ATOM 1180 CA ALA A 79 4.166 -0.467 -14.010 1.00 0.00 C ATOM 1181 C ALA A 79 4.047 -1.856 -14.641 1.00 0.00 C ATOM 1182 O ALA A 79 4.863 -2.736 -14.371 1.00 0.00 O ATOM 1183 CB ALA A 79 5.569 0.124 -14.161 1.00 0.00 C ATOM 0 H ALA A 79 3.943 -1.473 -12.186 1.00 0.00 H new ATOM 0 HA ALA A 79 3.476 0.194 -14.535 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.826 0.185 -15.218 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.592 1.122 -13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.290 -0.514 -13.649 1.00 0.00 H new ATOM 1189 N ARG A 80 3.024 -2.010 -15.469 1.00 0.00 N ATOM 1190 CA ARG A 80 2.789 -3.277 -16.140 1.00 0.00 C ATOM 1191 C ARG A 80 4.118 -3.935 -16.513 1.00 0.00 C ATOM 1192 O ARG A 80 5.062 -3.255 -16.913 1.00 0.00 O ATOM 1193 CB ARG A 80 1.951 -3.082 -17.406 1.00 0.00 C ATOM 1194 CG ARG A 80 0.466 -3.310 -17.121 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.190 -4.117 -18.244 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.324 -3.357 -18.817 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.067 -3.781 -19.848 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.803 -4.961 -20.425 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.077 -3.025 -20.301 1.00 0.00 N ATOM 0 H ARG A 80 2.349 -1.278 -15.690 1.00 0.00 H new ATOM 0 HA ARG A 80 2.242 -3.921 -15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.100 -2.074 -17.793 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.287 -3.773 -18.179 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.350 -3.837 -16.174 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.039 -2.350 -17.015 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.542 -4.336 -19.021 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.541 -5.074 -17.858 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.554 -2.455 -18.401 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.036 -5.537 -20.079 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.369 -5.283 -21.210 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.279 -2.127 -19.861 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.643 -3.347 -21.086 1.00 0.00 H new ATOM 1213 N VAL A 81 4.151 -5.252 -16.368 1.00 0.00 N ATOM 1214 CA VAL A 81 5.350 -6.010 -16.685 1.00 0.00 C ATOM 1215 C VAL A 81 5.646 -5.886 -18.181 1.00 0.00 C ATOM 1216 O VAL A 81 6.806 -5.906 -18.590 1.00 0.00 O ATOM 1217 CB VAL A 81 5.188 -7.460 -16.226 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.807 -8.367 -17.398 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.456 -7.962 -15.533 1.00 0.00 C ATOM 0 H VAL A 81 3.367 -5.813 -16.035 1.00 0.00 H new ATOM 0 HA VAL A 81 6.210 -5.607 -16.149 1.00 0.00 H new ATOM 0 HB VAL A 81 4.376 -7.492 -15.500 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.698 -9.392 -17.044 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.864 -8.029 -17.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.587 -8.326 -18.158 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.313 -8.995 -15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.295 -7.907 -16.226 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.664 -7.342 -14.661 1.00 0.00 H new ATOM 1229 N ASP A 82 4.579 -5.759 -18.954 1.00 0.00 N ATOM 1230 CA ASP A 82 4.710 -5.632 -20.396 1.00 0.00 C ATOM 1231 C ASP A 82 4.903 -4.158 -20.757 1.00 0.00 C ATOM 1232 O ASP A 82 4.842 -3.790 -21.930 1.00 0.00 O ATOM 1233 CB ASP A 82 3.455 -6.134 -21.110 1.00 0.00 C ATOM 1234 CG ASP A 82 3.714 -6.985 -22.354 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.278 -8.088 -22.180 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.344 -6.515 -23.451 1.00 0.00 O ATOM 0 H ASP A 82 3.619 -5.741 -18.610 1.00 0.00 H new ATOM 0 HA ASP A 82 5.566 -6.229 -20.711 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.864 -6.719 -20.405 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.850 -5.274 -21.397 1.00 0.00 H new ATOM 1241 N SER A 83 5.131 -3.353 -19.729 1.00 0.00 N ATOM 1242 CA SER A 83 5.333 -1.928 -19.924 1.00 0.00 C ATOM 1243 C SER A 83 6.712 -1.519 -19.403 1.00 0.00 C ATOM 1244 O SER A 83 6.907 -0.380 -18.979 1.00 0.00 O ATOM 1245 CB SER A 83 4.240 -1.117 -19.226 1.00 0.00 C ATOM 1246 OG SER A 83 2.947 -1.395 -19.757 1.00 0.00 O ATOM 0 H SER A 83 5.180 -3.661 -18.758 1.00 0.00 H new ATOM 0 HA SER A 83 5.278 -1.717 -20.992 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.249 -1.339 -18.159 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.454 -0.054 -19.332 1.00 0.00 H new ATOM 0 HG SER A 83 2.336 -0.663 -19.531 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.521 11.085 -5.204 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.785 11.453 -6.402 1.00 0.00 C ATOM 1380 C PRO B 124 -4.410 10.781 -6.427 1.00 0.00 C ATOM 1381 O PRO B 124 -3.389 11.454 -6.565 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.704 12.970 -6.363 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.987 13.367 -4.924 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.569 12.155 -4.213 1.00 0.00 C ATOM 0 HA PRO B 124 -6.274 11.117 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.719 13.316 -6.677 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.431 13.417 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.072 13.696 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.686 14.203 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.989 11.900 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.590 12.343 -3.882 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.428 9.464 -6.293 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.196 8.694 -6.299 1.00 0.00 C ATOM 1394 C LEU B 125 -2.298 9.167 -5.153 1.00 0.00 C ATOM 1395 O LEU B 125 -2.406 10.308 -4.707 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.526 8.764 -7.674 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.092 7.828 -8.743 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.732 8.318 -10.147 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.638 6.386 -8.506 1.00 0.00 C ATOM 0 H LEU B 125 -5.277 8.910 -6.180 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.406 7.639 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.599 9.788 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.465 8.544 -7.551 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.179 7.840 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.146 7.635 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.145 9.315 -10.301 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.648 8.354 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.055 5.742 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.550 6.337 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.986 6.051 -7.529 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.409 8.242 -4.700 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.494 8.554 -3.616 1.00 0.00 C ATOM 1413 C PRO B 126 0.642 9.458 -4.099 1.00 0.00 C ATOM 1414 O PRO B 126 0.864 9.592 -5.301 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.006 7.204 -3.114 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.301 6.214 -4.228 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.254 6.882 -5.205 1.00 0.00 C ATOM 0 HA PRO B 126 -0.970 9.116 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.060 7.233 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.518 6.921 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.620 5.922 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.745 5.305 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.850 6.879 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.211 6.362 -5.243 1.00 0.00 H new ATOM 1425 N PRO B 127 1.349 10.071 -3.112 1.00 0.00 N ATOM 1426 CA PRO B 127 2.455 10.958 -3.424 1.00 0.00 C ATOM 1427 C PRO B 127 3.689 10.164 -3.861 1.00 0.00 C ATOM 1428 O PRO B 127 4.241 9.389 -3.082 1.00 0.00 O ATOM 1429 CB PRO B 127 2.686 11.761 -2.155 1.00 0.00 C ATOM 1430 CG PRO B 127 2.016 10.978 -1.038 1.00 0.00 C ATOM 1431 CD PRO B 127 1.113 9.934 -1.677 1.00 0.00 C ATOM 0 HA PRO B 127 2.240 11.618 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.751 11.885 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.259 12.760 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.764 10.500 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.437 11.644 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.359 8.931 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.066 10.110 -1.429 1.00 0.00 H new ATOM 1439 N LEU B 128 4.083 10.384 -5.107 1.00 0.00 N ATOM 1440 CA LEU B 128 5.240 9.699 -5.658 1.00 0.00 C ATOM 1441 C LEU B 128 6.465 10.000 -4.792 1.00 0.00 C ATOM 1442 O LEU B 128 6.703 11.150 -4.424 1.00 0.00 O ATOM 1443 CB LEU B 128 5.425 10.060 -7.133 1.00 0.00 C ATOM 1444 CG LEU B 128 4.583 9.262 -8.130 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.935 9.639 -9.570 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.718 7.758 -7.882 1.00 0.00 C ATOM 0 H LEU B 128 3.622 11.027 -5.750 1.00 0.00 H new ATOM 0 HA LEU B 128 5.090 8.620 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.195 11.118 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.476 9.929 -7.389 1.00 0.00 H new ATOM 0 HG LEU B 128 3.535 9.521 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.322 9.057 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.746 10.701 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.988 9.427 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.109 7.214 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.762 7.463 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.379 7.524 -6.873 1.00 0.00 H new ATOM 1458 N PRO B 129 7.230 8.919 -4.484 1.00 0.00 N ATOM 1459 CA PRO B 129 8.425 9.056 -3.668 1.00 0.00 C ATOM 1460 C PRO B 129 9.568 9.680 -4.471 1.00 0.00 C ATOM 1461 O PRO B 129 10.086 10.733 -4.105 1.00 0.00 O ATOM 1462 CB PRO B 129 8.736 7.648 -3.187 1.00 0.00 C ATOM 1463 CG PRO B 129 7.984 6.713 -4.119 1.00 0.00 C ATOM 1464 CD PRO B 129 6.979 7.543 -4.901 1.00 0.00 C ATOM 0 HA PRO B 129 8.283 9.729 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.808 7.452 -3.219 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.417 7.509 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.675 6.212 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.476 5.934 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.118 7.423 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.956 7.241 -4.676 1.00 0.00 H new