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 Set 1.1: A 64 SER OG : rot -142:sc= 0.0131 USER MOD Set 1.2: A 67 THR OG1 : rot -140:sc= -1.14 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 40:sc= 1.65 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.63) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.0805 (180deg=-0.0853) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -1.44! (180deg=-2.15!) 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 143:sc= 0.188 USER MOD Single : A 76 ASN : amide:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : A 77 TYR OH : rot 10:sc= 0.52 USER MOD Single : A 83 SER OG : rot -53:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.365 -8.716 -15.439 1.00 0.00 N ATOM 324 CA ILE A 26 -2.598 -7.490 -15.583 1.00 0.00 C ATOM 325 C ILE A 26 -1.535 -7.427 -14.484 1.00 0.00 C ATOM 326 O ILE A 26 -1.817 -6.995 -13.367 1.00 0.00 O ATOM 327 CB ILE A 26 -3.530 -6.277 -15.609 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.341 -6.236 -16.905 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.748 -4.981 -15.381 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.502 -5.684 -18.060 1.00 0.00 C ATOM 0 HA ILE A 26 -2.071 -7.479 -16.537 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.240 -6.374 -14.788 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.690 -7.239 -17.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.226 -5.616 -16.765 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.433 -4.134 -15.404 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.253 -5.021 -14.411 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.000 -4.864 -16.166 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.102 -5.666 -18.970 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.175 -4.672 -17.821 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.631 -6.321 -18.213 1.00 0.00 H new ATOM 342 N ILE A 27 -0.336 -7.864 -14.840 1.00 0.00 N ATOM 343 CA ILE A 27 0.770 -7.862 -13.897 1.00 0.00 C ATOM 344 C ILE A 27 1.443 -6.487 -13.911 1.00 0.00 C ATOM 345 O ILE A 27 1.797 -5.976 -14.971 1.00 0.00 O ATOM 346 CB ILE A 27 1.728 -9.018 -14.194 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.957 -10.302 -14.505 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.726 -9.210 -13.050 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.373 -10.914 -13.230 1.00 0.00 C ATOM 0 H ILE A 27 -0.106 -8.221 -15.767 1.00 0.00 H new ATOM 0 HA ILE A 27 0.407 -8.030 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 27 2.304 -8.765 -15.084 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.154 -10.086 -15.210 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.620 -11.021 -14.987 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.395 -10.037 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.309 -8.298 -12.919 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.186 -9.431 -12.129 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.170 -11.826 -13.480 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.180 -11.151 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.308 -10.202 -12.764 1.00 0.00 H new ATOM 361 N VAL A 28 1.597 -5.929 -12.719 1.00 0.00 N ATOM 362 CA VAL A 28 2.221 -4.624 -12.579 1.00 0.00 C ATOM 363 C VAL A 28 3.225 -4.664 -11.425 1.00 0.00 C ATOM 364 O VAL A 28 2.904 -5.135 -10.335 1.00 0.00 O ATOM 365 CB VAL A 28 1.149 -3.548 -12.401 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.246 -3.466 -13.634 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.326 -3.798 -11.135 1.00 0.00 C ATOM 0 H VAL A 28 1.301 -6.357 -11.842 1.00 0.00 H new ATOM 0 HA VAL A 28 2.774 -4.367 -13.482 1.00 0.00 H new ATOM 0 HB VAL A 28 1.653 -2.588 -12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.508 -2.693 -13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.847 -3.220 -14.509 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.245 -4.427 -13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.429 -3.019 -11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.163 -4.770 -11.205 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.983 -3.784 -10.265 1.00 0.00 H new ATOM 377 N VAL A 29 4.420 -4.164 -11.704 1.00 0.00 N ATOM 378 CA VAL A 29 5.472 -4.136 -10.703 1.00 0.00 C ATOM 379 C VAL A 29 5.396 -2.820 -9.926 1.00 0.00 C ATOM 380 O VAL A 29 5.219 -1.756 -10.516 1.00 0.00 O ATOM 381 CB VAL A 29 6.832 -4.361 -11.368 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.330 -3.083 -12.043 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.856 -4.882 -10.357 1.00 0.00 C ATOM 0 H VAL A 29 4.683 -3.775 -12.610 1.00 0.00 H new ATOM 0 HA VAL A 29 5.338 -4.945 -9.985 1.00 0.00 H new ATOM 0 HB VAL A 29 6.706 -5.120 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.298 -3.270 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.616 -2.772 -12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.432 -2.294 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.814 -5.034 -10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.976 -4.156 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.509 -5.828 -9.942 1.00 0.00 H new ATOM 393 N ALA A 30 5.536 -2.937 -8.613 1.00 0.00 N ATOM 394 CA ALA A 30 5.486 -1.770 -7.749 1.00 0.00 C ATOM 395 C ALA A 30 6.703 -0.885 -8.023 1.00 0.00 C ATOM 396 O ALA A 30 7.839 -1.301 -7.800 1.00 0.00 O ATOM 397 CB ALA A 30 5.407 -2.218 -6.288 1.00 0.00 C ATOM 0 H ALA A 30 5.684 -3.822 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 30 4.595 -1.178 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.370 -1.342 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.509 -2.818 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.286 -2.814 -6.042 1.00 0.00 H new ATOM 403 N LEU A 31 6.425 0.318 -8.503 1.00 0.00 N ATOM 404 CA LEU A 31 7.483 1.266 -8.809 1.00 0.00 C ATOM 405 C LEU A 31 8.132 1.738 -7.506 1.00 0.00 C ATOM 406 O LEU A 31 9.349 1.899 -7.438 1.00 0.00 O ATOM 407 CB LEU A 31 6.948 2.404 -9.679 1.00 0.00 C ATOM 408 CG LEU A 31 6.591 2.037 -11.121 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.265 3.287 -11.940 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.701 1.203 -11.765 1.00 0.00 C ATOM 0 H LEU A 31 5.481 0.658 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 31 8.265 0.787 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.059 2.814 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.694 3.199 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 31 5.693 1.420 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.015 2.998 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.417 3.805 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.130 3.950 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.422 0.955 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.629 1.774 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.843 0.284 -11.196 1.00 0.00 H new ATOM 422 N TYR A 32 7.289 1.948 -6.506 1.00 0.00 N ATOM 423 CA TYR A 32 7.765 2.399 -5.209 1.00 0.00 C ATOM 424 C TYR A 32 7.167 1.556 -4.081 1.00 0.00 C ATOM 425 O TYR A 32 6.189 0.837 -4.290 1.00 0.00 O ATOM 426 CB TYR A 32 7.280 3.843 -5.061 1.00 0.00 C ATOM 427 CG TYR A 32 7.304 4.643 -6.365 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.452 5.310 -6.746 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.177 4.699 -7.161 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.473 6.063 -7.973 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.200 5.453 -8.387 1.00 0.00 C ATOM 432 CZ TYR A 32 7.347 6.097 -8.733 1.00 0.00 C ATOM 433 OH TYR A 32 7.368 6.808 -9.892 1.00 0.00 O ATOM 0 H TYR A 32 6.280 1.814 -6.567 1.00 0.00 H new ATOM 0 HA TYR A 32 8.850 2.313 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.263 3.836 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.902 4.351 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.334 5.267 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.279 4.178 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.364 6.589 -8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.325 5.506 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 32 6.495 6.742 -10.332 1.00 0.00 H new ATOM 443 N ASP A 33 7.778 1.671 -2.911 1.00 0.00 N ATOM 444 CA ASP A 33 7.317 0.928 -1.751 1.00 0.00 C ATOM 445 C ASP A 33 5.991 1.517 -1.267 1.00 0.00 C ATOM 446 O ASP A 33 5.830 2.735 -1.218 1.00 0.00 O ATOM 447 CB ASP A 33 8.324 1.021 -0.602 1.00 0.00 C ATOM 448 CG ASP A 33 8.703 2.445 -0.189 1.00 0.00 C ATOM 449 OD1 ASP A 33 7.980 2.999 0.666 1.00 0.00 O ATOM 450 OD2 ASP A 33 9.708 2.946 -0.738 1.00 0.00 O ATOM 0 H ASP A 33 8.588 2.267 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 33 7.199 -0.115 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.912 0.505 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.231 0.488 -0.889 1.00 0.00 H new ATOM 455 N TYR A 34 5.075 0.624 -0.919 1.00 0.00 N ATOM 456 CA TYR A 34 3.768 1.041 -0.440 1.00 0.00 C ATOM 457 C TYR A 34 3.343 0.219 0.779 1.00 0.00 C ATOM 458 O TYR A 34 3.461 -1.004 0.779 1.00 0.00 O ATOM 459 CB TYR A 34 2.793 0.770 -1.587 1.00 0.00 C ATOM 460 CG TYR A 34 1.397 1.358 -1.370 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.185 2.712 -1.541 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.351 0.537 -1.002 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.127 3.266 -1.336 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.963 1.092 -0.798 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.137 2.430 -0.975 1.00 0.00 C ATOM 466 OH TYR A 34 -2.376 2.953 -0.782 1.00 0.00 O ATOM 0 H TYR A 34 5.212 -0.386 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 34 3.784 2.090 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.209 1.179 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.704 -0.307 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.004 3.355 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.517 -0.522 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.306 4.323 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.791 0.461 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.553 3.635 -1.463 1.00 0.00 H new ATOM 476 N GLU A 35 2.860 0.927 1.790 1.00 0.00 N ATOM 477 CA GLU A 35 2.418 0.279 3.013 1.00 0.00 C ATOM 478 C GLU A 35 0.989 0.708 3.354 1.00 0.00 C ATOM 479 O GLU A 35 0.746 1.284 4.414 1.00 0.00 O ATOM 480 CB GLU A 35 3.372 0.581 4.170 1.00 0.00 C ATOM 481 CG GLU A 35 4.164 -0.665 4.568 1.00 0.00 C ATOM 482 CD GLU A 35 4.392 -0.710 6.081 1.00 0.00 C ATOM 483 OE1 GLU A 35 3.416 -1.028 6.793 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.538 -0.424 6.491 1.00 0.00 O ATOM 0 H GLU A 35 2.765 1.943 1.787 1.00 0.00 H new ATOM 0 HA GLU A 35 2.425 -0.799 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.059 1.376 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.806 0.945 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.626 -1.559 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.124 -0.670 4.052 1.00 0.00 H new ATOM 491 N ALA A 36 0.081 0.410 2.436 1.00 0.00 N ATOM 492 CA ALA A 36 -1.317 0.757 2.627 1.00 0.00 C ATOM 493 C ALA A 36 -1.410 2.136 3.283 1.00 0.00 C ATOM 494 O ALA A 36 -1.464 2.242 4.508 1.00 0.00 O ATOM 495 CB ALA A 36 -2.005 -0.330 3.454 1.00 0.00 C ATOM 0 H ALA A 36 0.286 -0.068 1.558 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.833 0.812 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.054 -0.069 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.936 -1.284 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.516 -0.413 4.425 1.00 0.00 H new ATOM 569 N ASP A 41 -6.783 -0.700 0.859 1.00 0.00 N ATOM 570 CA ASP A 41 -5.629 -0.681 -0.023 1.00 0.00 C ATOM 571 C ASP A 41 -4.666 -1.799 0.382 1.00 0.00 C ATOM 572 O ASP A 41 -4.557 -2.133 1.560 1.00 0.00 O ATOM 573 CB ASP A 41 -4.880 0.649 0.080 1.00 0.00 C ATOM 574 CG ASP A 41 -5.552 1.826 -0.629 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.675 2.178 -0.206 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.929 2.348 -1.578 1.00 0.00 O ATOM 0 HA ASP A 41 -5.982 -0.818 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.759 0.900 1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.880 0.518 -0.333 1.00 0.00 H new ATOM 581 N LEU A 42 -3.990 -2.345 -0.619 1.00 0.00 N ATOM 582 CA LEU A 42 -3.039 -3.418 -0.383 1.00 0.00 C ATOM 583 C LEU A 42 -1.638 -2.825 -0.217 1.00 0.00 C ATOM 584 O LEU A 42 -1.338 -1.770 -0.774 1.00 0.00 O ATOM 585 CB LEU A 42 -3.134 -4.471 -1.489 1.00 0.00 C ATOM 586 CG LEU A 42 -2.491 -5.825 -1.182 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.375 -6.654 -0.249 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.155 -6.577 -2.471 1.00 0.00 C ATOM 0 H LEU A 42 -4.082 -2.064 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.276 -3.940 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.187 -4.635 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.671 -4.067 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.552 -5.646 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.894 -7.611 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.520 -6.116 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.342 -6.826 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.699 -7.536 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.068 -6.745 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.458 -5.986 -3.066 1.00 0.00 H new ATOM 600 N SER A 43 -0.820 -3.529 0.550 1.00 0.00 N ATOM 601 CA SER A 43 0.542 -3.085 0.797 1.00 0.00 C ATOM 602 C SER A 43 1.524 -3.941 -0.006 1.00 0.00 C ATOM 603 O SER A 43 1.334 -5.149 -0.140 1.00 0.00 O ATOM 604 CB SER A 43 0.880 -3.146 2.287 1.00 0.00 C ATOM 605 OG SER A 43 0.885 -4.483 2.779 1.00 0.00 O ATOM 0 H SER A 43 -1.073 -4.404 1.009 1.00 0.00 H new ATOM 0 HA SER A 43 0.627 -2.047 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.857 -2.694 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.155 -2.556 2.848 1.00 0.00 H new ATOM 0 HG SER A 43 1.107 -4.479 3.734 1.00 0.00 H new ATOM 611 N PHE A 44 2.552 -3.280 -0.520 1.00 0.00 N ATOM 612 CA PHE A 44 3.563 -3.966 -1.306 1.00 0.00 C ATOM 613 C PHE A 44 4.901 -3.226 -1.242 1.00 0.00 C ATOM 614 O PHE A 44 5.015 -2.197 -0.578 1.00 0.00 O ATOM 615 CB PHE A 44 3.071 -3.981 -2.755 1.00 0.00 C ATOM 616 CG PHE A 44 2.577 -2.623 -3.258 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.463 -1.723 -3.765 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.254 -2.315 -3.199 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.005 -0.463 -4.232 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.796 -1.055 -3.666 1.00 0.00 C ATOM 621 CZ PHE A 44 1.681 -0.155 -4.173 1.00 0.00 C ATOM 0 H PHE A 44 2.706 -2.278 -0.407 1.00 0.00 H new ATOM 0 HA PHE A 44 3.715 -4.973 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.881 -4.323 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.263 -4.707 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.514 -1.967 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.551 -3.029 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.708 0.251 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.255 -0.811 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.333 0.804 -4.529 1.00 0.00 H new ATOM 631 N GLN A 45 5.880 -3.778 -1.944 1.00 0.00 N ATOM 632 CA GLN A 45 7.206 -3.183 -1.975 1.00 0.00 C ATOM 633 C GLN A 45 7.640 -2.931 -3.420 1.00 0.00 C ATOM 634 O GLN A 45 7.160 -3.592 -4.341 1.00 0.00 O ATOM 635 CB GLN A 45 8.220 -4.065 -1.244 1.00 0.00 C ATOM 636 CG GLN A 45 7.976 -4.043 0.266 1.00 0.00 C ATOM 637 CD GLN A 45 8.818 -5.108 0.973 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.104 -6.166 0.437 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.196 -4.771 2.203 1.00 0.00 N ATOM 0 H GLN A 45 5.782 -4.630 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 45 7.166 -2.226 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.150 -5.088 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.231 -3.718 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.221 -3.058 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.919 -4.215 0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.922 -3.869 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.760 -5.415 2.758 1.00 0.00 H new ATOM 648 N LYS A 46 8.543 -1.974 -3.575 1.00 0.00 N ATOM 649 CA LYS A 46 9.047 -1.626 -4.893 1.00 0.00 C ATOM 650 C LYS A 46 9.647 -2.872 -5.550 1.00 0.00 C ATOM 651 O LYS A 46 10.692 -3.360 -5.124 1.00 0.00 O ATOM 652 CB LYS A 46 10.021 -0.450 -4.802 1.00 0.00 C ATOM 653 CG LYS A 46 11.016 -0.471 -5.963 1.00 0.00 C ATOM 654 CD LYS A 46 11.688 0.893 -6.135 1.00 0.00 C ATOM 655 CE LYS A 46 11.991 1.174 -7.607 1.00 0.00 C ATOM 656 NZ LYS A 46 13.446 1.085 -7.863 1.00 0.00 N ATOM 0 H LYS A 46 8.939 -1.428 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 46 8.233 -1.287 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.466 0.488 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.560 -0.492 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.774 -1.234 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.500 -0.745 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.040 1.674 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.612 0.922 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.461 0.459 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.628 2.166 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.634 1.279 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.945 1.784 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.782 0.130 -7.626 1.00 0.00 H new ATOM 670 N GLY A 47 8.958 -3.350 -6.575 1.00 0.00 N ATOM 671 CA GLY A 47 9.410 -4.529 -7.295 1.00 0.00 C ATOM 672 C GLY A 47 8.440 -5.697 -7.098 1.00 0.00 C ATOM 673 O GLY A 47 8.633 -6.771 -7.666 1.00 0.00 O ATOM 0 H GLY A 47 8.090 -2.943 -6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.498 -4.300 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.403 -4.814 -6.947 1.00 0.00 H new ATOM 677 N ASP A 48 7.420 -5.447 -6.290 1.00 0.00 N ATOM 678 CA ASP A 48 6.420 -6.464 -6.011 1.00 0.00 C ATOM 679 C ASP A 48 5.439 -6.544 -7.181 1.00 0.00 C ATOM 680 O ASP A 48 4.981 -5.518 -7.682 1.00 0.00 O ATOM 681 CB ASP A 48 5.625 -6.122 -4.749 1.00 0.00 C ATOM 682 CG ASP A 48 4.983 -7.320 -4.046 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.146 -8.442 -4.572 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.343 -7.085 -2.998 1.00 0.00 O ATOM 0 H ASP A 48 7.264 -4.555 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 48 6.936 -7.413 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.288 -5.619 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.842 -5.411 -5.012 1.00 0.00 H new ATOM 689 N GLN A 49 5.145 -7.771 -7.583 1.00 0.00 N ATOM 690 CA GLN A 49 4.227 -7.998 -8.686 1.00 0.00 C ATOM 691 C GLN A 49 2.839 -8.360 -8.154 1.00 0.00 C ATOM 692 O GLN A 49 2.711 -9.185 -7.250 1.00 0.00 O ATOM 693 CB GLN A 49 4.755 -9.085 -9.625 1.00 0.00 C ATOM 694 CG GLN A 49 6.127 -8.707 -10.184 1.00 0.00 C ATOM 695 CD GLN A 49 6.106 -8.678 -11.714 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.564 -9.589 -12.384 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.552 -7.582 -12.227 1.00 0.00 N ATOM 0 H GLN A 49 5.526 -8.619 -7.164 1.00 0.00 H new ATOM 0 HA GLN A 49 4.146 -7.076 -9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.825 -10.031 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.053 -9.235 -10.445 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.423 -7.730 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.874 -9.423 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.188 -6.857 -11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.492 -7.467 -13.239 1.00 0.00 H new ATOM 706 N MET A 50 1.832 -7.725 -8.738 1.00 0.00 N ATOM 707 CA MET A 50 0.458 -7.970 -8.334 1.00 0.00 C ATOM 708 C MET A 50 -0.423 -8.275 -9.547 1.00 0.00 C ATOM 709 O MET A 50 -0.186 -7.758 -10.636 1.00 0.00 O ATOM 710 CB MET A 50 -0.086 -6.740 -7.603 1.00 0.00 C ATOM 711 CG MET A 50 0.828 -6.343 -6.443 1.00 0.00 C ATOM 712 SD MET A 50 0.422 -4.698 -5.881 1.00 0.00 S ATOM 713 CE MET A 50 1.901 -3.828 -6.374 1.00 0.00 C ATOM 0 H MET A 50 1.941 -7.042 -9.487 1.00 0.00 H new ATOM 0 HA MET A 50 0.442 -8.834 -7.670 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.176 -5.908 -8.301 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.087 -6.950 -7.226 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.719 -7.053 -5.624 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.870 -6.381 -6.761 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.830 -2.785 -6.064 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.769 -4.289 -5.902 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.008 -3.878 -7.458 1.00 0.00 H new ATOM 723 N VAL A 51 -1.423 -9.114 -9.315 1.00 0.00 N ATOM 724 CA VAL A 51 -2.341 -9.495 -10.374 1.00 0.00 C ATOM 725 C VAL A 51 -3.556 -8.566 -10.349 1.00 0.00 C ATOM 726 O VAL A 51 -4.504 -8.799 -9.601 1.00 0.00 O ATOM 727 CB VAL A 51 -2.715 -10.972 -10.237 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.875 -11.333 -11.167 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.505 -11.871 -10.496 1.00 0.00 C ATOM 0 H VAL A 51 -1.617 -9.540 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.866 -9.383 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.043 -11.140 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.121 -12.388 -11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.746 -10.728 -10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.586 -11.140 -12.200 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.799 -12.915 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.132 -11.698 -11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.720 -11.641 -9.775 1.00 0.00 H new ATOM 739 N VAL A 52 -3.488 -7.533 -11.176 1.00 0.00 N ATOM 740 CA VAL A 52 -4.571 -6.567 -11.258 1.00 0.00 C ATOM 741 C VAL A 52 -5.843 -7.274 -11.726 1.00 0.00 C ATOM 742 O VAL A 52 -5.886 -7.817 -12.829 1.00 0.00 O ATOM 743 CB VAL A 52 -4.165 -5.402 -12.162 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.398 -4.678 -12.708 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.241 -4.431 -11.425 1.00 0.00 C ATOM 0 H VAL A 52 -2.700 -7.344 -11.795 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.779 -6.141 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.613 -5.811 -13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.082 -3.854 -13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.003 -5.376 -13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.988 -4.288 -11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.968 -3.612 -12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.756 -4.032 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.340 -4.956 -11.107 1.00 0.00 H new ATOM 755 N LEU A 53 -6.850 -7.243 -10.866 1.00 0.00 N ATOM 756 CA LEU A 53 -8.122 -7.874 -11.179 1.00 0.00 C ATOM 757 C LEU A 53 -9.103 -6.813 -11.680 1.00 0.00 C ATOM 758 O LEU A 53 -9.686 -6.958 -12.753 1.00 0.00 O ATOM 759 CB LEU A 53 -8.636 -8.668 -9.976 1.00 0.00 C ATOM 760 CG LEU A 53 -7.579 -9.429 -9.174 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.169 -9.980 -7.874 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.932 -10.527 -10.020 1.00 0.00 C ATOM 0 H LEU A 53 -6.812 -6.791 -9.952 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.000 -8.600 -11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.148 -7.980 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.380 -9.382 -10.328 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.790 -8.729 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.397 -10.517 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.543 -9.156 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.988 -10.660 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.185 -11.052 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.696 -11.232 -10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.454 -10.080 -10.892 1.00 0.00 H new ATOM 774 N GLU A 54 -9.257 -5.768 -10.878 1.00 0.00 N ATOM 775 CA GLU A 54 -10.157 -4.683 -11.227 1.00 0.00 C ATOM 776 C GLU A 54 -9.371 -3.387 -11.436 1.00 0.00 C ATOM 777 O GLU A 54 -8.410 -3.117 -10.717 1.00 0.00 O ATOM 778 CB GLU A 54 -11.237 -4.504 -10.159 1.00 0.00 C ATOM 779 CG GLU A 54 -12.490 -5.311 -10.504 1.00 0.00 C ATOM 780 CD GLU A 54 -13.635 -4.987 -9.542 1.00 0.00 C ATOM 781 OE1 GLU A 54 -14.146 -3.850 -9.632 1.00 0.00 O ATOM 782 OE2 GLU A 54 -13.973 -5.883 -8.739 1.00 0.00 O ATOM 0 H GLU A 54 -8.773 -5.651 -9.988 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.655 -4.936 -12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.851 -4.821 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.493 -3.448 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.797 -5.092 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.264 -6.376 -10.460 1.00 0.00 H new ATOM 822 N GLU A 58 -7.863 4.493 -11.143 1.00 0.00 N ATOM 823 CA GLU A 58 -6.480 4.588 -10.708 1.00 0.00 C ATOM 824 C GLU A 58 -6.117 3.389 -9.829 1.00 0.00 C ATOM 825 O GLU A 58 -5.353 2.519 -10.244 1.00 0.00 O ATOM 826 CB GLU A 58 -6.224 5.905 -9.973 1.00 0.00 C ATOM 827 CG GLU A 58 -6.596 7.103 -10.849 1.00 0.00 C ATOM 828 CD GLU A 58 -7.836 7.816 -10.303 1.00 0.00 C ATOM 829 OE1 GLU A 58 -7.783 8.220 -9.121 1.00 0.00 O ATOM 830 OE2 GLU A 58 -8.807 7.940 -11.080 1.00 0.00 O ATOM 0 HA GLU A 58 -5.841 4.574 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.805 5.930 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.173 5.969 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.760 7.801 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.784 6.768 -11.869 1.00 0.00 H new ATOM 837 N TRP A 59 -6.683 3.382 -8.631 1.00 0.00 N ATOM 838 CA TRP A 59 -6.429 2.305 -7.690 1.00 0.00 C ATOM 839 C TRP A 59 -7.064 1.029 -8.248 1.00 0.00 C ATOM 840 O TRP A 59 -8.285 0.946 -8.381 1.00 0.00 O ATOM 841 CB TRP A 59 -6.940 2.665 -6.293 1.00 0.00 C ATOM 842 CG TRP A 59 -6.353 3.960 -5.731 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.757 5.217 -5.960 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.231 4.076 -4.830 1.00 0.00 C ATOM 845 NE1 TRP A 59 -5.981 6.130 -5.275 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.023 5.413 -4.566 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.419 3.081 -4.256 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.007 5.880 -3.723 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.408 3.564 -3.418 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.185 4.908 -3.142 1.00 0.00 C ATOM 0 H TRP A 59 -7.317 4.105 -8.291 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.358 2.139 -7.575 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.026 2.755 -6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.709 1.847 -5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.586 5.482 -6.600 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.090 7.144 -5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.564 2.028 -4.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.866 6.933 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.754 2.841 -2.952 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.381 5.201 -2.482 1.00 0.00 H new ATOM 861 N TRP A 60 -6.207 0.068 -8.561 1.00 0.00 N ATOM 862 CA TRP A 60 -6.670 -1.199 -9.102 1.00 0.00 C ATOM 863 C TRP A 60 -6.612 -2.241 -7.983 1.00 0.00 C ATOM 864 O TRP A 60 -5.788 -2.137 -7.075 1.00 0.00 O ATOM 865 CB TRP A 60 -5.855 -1.599 -10.333 1.00 0.00 C ATOM 866 CG TRP A 60 -5.663 -0.468 -11.347 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.461 0.584 -11.569 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.566 -0.321 -12.273 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.960 1.397 -12.566 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.771 0.829 -13.008 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.437 -1.132 -12.482 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.890 1.272 -14.001 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.565 -0.676 -13.479 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.759 0.479 -14.227 1.00 0.00 C ATOM 0 H TRP A 60 -5.196 0.141 -8.450 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.700 -1.117 -9.448 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.876 -1.953 -10.009 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.349 -2.436 -10.827 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.381 0.773 -11.035 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.384 2.257 -12.914 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.256 -2.035 -11.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.073 2.176 -14.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.681 -1.263 -13.680 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.039 0.764 -14.980 1.00 0.00 H new ATOM 885 N LYS A 61 -7.497 -3.221 -8.084 1.00 0.00 N ATOM 886 CA LYS A 61 -7.557 -4.280 -7.092 1.00 0.00 C ATOM 887 C LYS A 61 -6.758 -5.487 -7.590 1.00 0.00 C ATOM 888 O LYS A 61 -7.252 -6.272 -8.397 1.00 0.00 O ATOM 889 CB LYS A 61 -9.011 -4.608 -6.744 1.00 0.00 C ATOM 890 CG LYS A 61 -9.087 -5.592 -5.576 1.00 0.00 C ATOM 891 CD LYS A 61 -10.098 -6.704 -5.861 1.00 0.00 C ATOM 892 CE LYS A 61 -10.314 -7.579 -4.624 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.124 -8.422 -4.372 1.00 0.00 N ATOM 0 H LYS A 61 -8.179 -3.304 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.096 -3.954 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.543 -3.692 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.510 -5.033 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.104 -6.027 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.371 -5.062 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.047 -6.267 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.744 -7.319 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.512 -6.950 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.191 -8.210 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.394 -9.236 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.740 -8.761 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.401 -7.862 -3.877 1.00 0.00 H new ATOM 907 N ALA A 62 -5.537 -5.595 -7.088 1.00 0.00 N ATOM 908 CA ALA A 62 -4.664 -6.691 -7.472 1.00 0.00 C ATOM 909 C ALA A 62 -4.332 -7.530 -6.236 1.00 0.00 C ATOM 910 O ALA A 62 -4.592 -7.112 -5.109 1.00 0.00 O ATOM 911 CB ALA A 62 -3.413 -6.134 -8.153 1.00 0.00 C ATOM 0 H ALA A 62 -5.131 -4.941 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.161 -7.344 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.759 -6.957 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.702 -5.572 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.886 -5.475 -7.463 1.00 0.00 H new ATOM 917 N ARG A 63 -3.760 -8.698 -6.489 1.00 0.00 N ATOM 918 CA ARG A 63 -3.388 -9.598 -5.411 1.00 0.00 C ATOM 919 C ARG A 63 -1.877 -9.834 -5.413 1.00 0.00 C ATOM 920 O ARG A 63 -1.315 -10.273 -6.415 1.00 0.00 O ATOM 921 CB ARG A 63 -4.107 -10.942 -5.543 1.00 0.00 C ATOM 922 CG ARG A 63 -3.315 -12.058 -4.859 1.00 0.00 C ATOM 923 CD ARG A 63 -2.612 -12.943 -5.889 1.00 0.00 C ATOM 924 NE ARG A 63 -3.612 -13.716 -6.659 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.347 -14.871 -7.286 1.00 0.00 C ATOM 926 NH1 ARG A 63 -2.114 -15.393 -7.237 1.00 0.00 N ATOM 927 NH2 ARG A 63 -4.316 -15.505 -7.960 1.00 0.00 N ATOM 0 H ARG A 63 -3.545 -9.042 -7.425 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.684 -9.130 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.100 -10.872 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.245 -11.183 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.578 -11.624 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.986 -12.665 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.018 -12.327 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.923 -13.622 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.561 -13.347 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.376 -14.912 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.913 -16.272 -7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.255 -15.109 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.114 -16.384 -8.437 1.00 0.00 H new ATOM 941 N SER A 64 -1.261 -9.532 -4.279 1.00 0.00 N ATOM 942 CA SER A 64 0.175 -9.706 -4.138 1.00 0.00 C ATOM 943 C SER A 64 0.574 -11.122 -4.553 1.00 0.00 C ATOM 944 O SER A 64 -0.028 -12.097 -4.106 1.00 0.00 O ATOM 945 CB SER A 64 0.624 -9.427 -2.702 1.00 0.00 C ATOM 946 OG SER A 64 2.028 -9.606 -2.538 1.00 0.00 O ATOM 0 H SER A 64 -1.730 -9.168 -3.450 1.00 0.00 H new ATOM 0 HA SER A 64 0.672 -8.990 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.354 -8.407 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.092 -10.090 -2.020 1.00 0.00 H new ATOM 0 HG SER A 64 2.206 -10.019 -1.667 1.00 0.00 H new ATOM 952 N LEU A 65 1.586 -11.191 -5.405 1.00 0.00 N ATOM 953 CA LEU A 65 2.073 -12.473 -5.886 1.00 0.00 C ATOM 954 C LEU A 65 3.151 -12.995 -4.934 1.00 0.00 C ATOM 955 O LEU A 65 3.966 -13.834 -5.314 1.00 0.00 O ATOM 956 CB LEU A 65 2.540 -12.359 -7.339 1.00 0.00 C ATOM 957 CG LEU A 65 1.486 -12.659 -8.408 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.008 -12.316 -9.804 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.010 -14.111 -8.314 1.00 0.00 C ATOM 0 H LEU A 65 2.082 -10.380 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 65 1.268 -13.208 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.916 -11.349 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.380 -13.038 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 65 0.620 -12.023 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.240 -12.539 -10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.259 -11.256 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.898 -12.909 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.262 -14.299 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.857 -14.782 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.572 -14.287 -7.332 1.00 0.00 H new ATOM 971 N ALA A 66 3.119 -12.476 -3.715 1.00 0.00 N ATOM 972 CA ALA A 66 4.084 -12.878 -2.706 1.00 0.00 C ATOM 973 C ALA A 66 3.341 -13.449 -1.496 1.00 0.00 C ATOM 974 O ALA A 66 3.793 -14.417 -0.886 1.00 0.00 O ATOM 975 CB ALA A 66 4.967 -11.684 -2.337 1.00 0.00 C ATOM 0 H ALA A 66 2.440 -11.781 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 66 4.739 -13.660 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.690 -11.987 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.495 -11.334 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.345 -10.880 -1.944 1.00 0.00 H new ATOM 981 N THR A 67 2.214 -12.825 -1.186 1.00 0.00 N ATOM 982 CA THR A 67 1.405 -13.258 -0.060 1.00 0.00 C ATOM 983 C THR A 67 -0.006 -13.624 -0.526 1.00 0.00 C ATOM 984 O THR A 67 -0.853 -14.000 0.282 1.00 0.00 O ATOM 985 CB THR A 67 1.428 -12.149 0.994 1.00 0.00 C ATOM 986 OG1 THR A 67 1.225 -10.954 0.245 1.00 0.00 O ATOM 987 CG2 THR A 67 2.811 -11.966 1.622 1.00 0.00 C ATOM 0 H THR A 67 1.842 -12.023 -1.695 1.00 0.00 H new ATOM 0 HA THR A 67 1.810 -14.164 0.392 1.00 0.00 H new ATOM 0 HB THR A 67 0.703 -12.376 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.801 -10.244 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.771 -11.167 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.117 -12.894 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.531 -11.706 0.846 1.00 0.00 H new ATOM 995 N ARG A 68 -0.214 -13.500 -1.829 1.00 0.00 N ATOM 996 CA ARG A 68 -1.507 -13.812 -2.414 1.00 0.00 C ATOM 997 C ARG A 68 -2.600 -12.951 -1.777 1.00 0.00 C ATOM 998 O ARG A 68 -3.779 -13.298 -1.828 1.00 0.00 O ATOM 999 CB ARG A 68 -1.856 -15.289 -2.221 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.781 -16.191 -2.830 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.427 -17.339 -1.883 1.00 0.00 C ATOM 1002 NE ARG A 68 0.777 -18.047 -2.374 1.00 0.00 N ATOM 1003 CZ ARG A 68 0.783 -18.874 -3.430 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -0.349 -19.101 -4.109 1.00 0.00 N ATOM 1005 NH2 ARG A 68 1.922 -19.474 -3.804 1.00 0.00 N ATOM 0 H ARG A 68 0.492 -13.188 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.448 -13.600 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.958 -15.506 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.820 -15.502 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.134 -16.594 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.112 -15.604 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.248 -16.952 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.264 -18.034 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 68 1.656 -17.897 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.215 -18.645 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.345 -19.730 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.783 -19.302 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.927 -20.103 -4.607 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.169 -11.842 -1.193 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.095 -10.928 -0.547 1.00 0.00 C ATOM 1021 C LYS A 69 -3.990 -10.283 -1.607 1.00 0.00 C ATOM 1022 O LYS A 69 -3.821 -10.529 -2.800 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.337 -9.917 0.316 1.00 0.00 C ATOM 1024 CG LYS A 69 -1.874 -10.555 1.628 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.764 -9.725 2.278 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.900 -9.727 3.802 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.407 -9.451 4.439 1.00 0.00 N ATOM 0 H LYS A 69 -1.191 -11.556 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.749 -11.469 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.475 -9.539 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.979 -9.062 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.718 -10.641 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.514 -11.566 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.209 -10.127 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.806 -8.701 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.627 -8.975 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.278 -10.692 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.297 -9.456 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.091 -10.183 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.753 -8.519 4.132 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.922 -9.468 -1.134 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.843 -8.785 -2.026 1.00 0.00 C ATOM 1043 C GLU A 70 -6.198 -7.406 -1.468 1.00 0.00 C ATOM 1044 O GLU A 70 -6.376 -7.246 -0.261 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.101 -9.623 -2.260 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.900 -10.605 -3.415 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.025 -11.642 -3.457 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.188 -11.211 -3.610 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.695 -12.841 -3.335 1.00 0.00 O ATOM 0 H GLU A 70 -5.059 -9.265 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.352 -8.649 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.351 -10.171 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.944 -8.967 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.868 -10.060 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.940 -11.109 -3.305 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.291 -6.443 -2.373 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.622 -5.081 -1.987 1.00 0.00 C ATOM 1058 C GLY A 71 -6.327 -4.101 -3.124 1.00 0.00 C ATOM 1059 O GLY A 71 -5.635 -4.445 -4.080 1.00 0.00 O ATOM 0 H GLY A 71 -6.143 -6.579 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.676 -5.022 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.049 -4.801 -1.103 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.868 -2.901 -2.983 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.673 -1.869 -3.987 1.00 0.00 C ATOM 1065 C TYR A 72 -5.263 -1.279 -3.898 1.00 0.00 C ATOM 1066 O TYR A 72 -4.800 -0.927 -2.815 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.692 -0.772 -3.668 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.139 -1.163 -3.968 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.470 -1.701 -5.195 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.117 -0.978 -3.011 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.833 -2.069 -5.477 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.480 -1.346 -3.294 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.771 -1.872 -4.513 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.058 -2.220 -4.780 1.00 0.00 O ATOM 0 H TYR A 72 -7.442 -2.620 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.800 -2.279 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.609 -0.508 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.441 0.121 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.706 -1.846 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.860 -0.557 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.104 -2.492 -6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.254 -1.207 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.618 -2.024 -4.000 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.621 -1.190 -5.054 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.274 -0.649 -5.121 1.00 0.00 C ATOM 1086 C ILE A 73 -3.242 0.508 -6.122 1.00 0.00 C ATOM 1087 O ILE A 73 -4.032 0.539 -7.064 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.266 -1.758 -5.433 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.676 -2.536 -6.685 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.072 -2.678 -4.225 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.541 -2.561 -7.711 1.00 0.00 C ATOM 0 H ILE A 73 -5.008 -1.483 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.979 -0.243 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.302 -1.294 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.946 -3.556 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.561 -2.079 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.351 -3.457 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.702 -2.097 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.025 -3.136 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.858 -3.120 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.290 -1.541 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.665 -3.040 -7.273 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.298 1.454 -5.876 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.154 2.610 -6.744 1.00 0.00 C ATOM 1105 C PRO A 74 -1.475 2.227 -8.060 1.00 0.00 C ATOM 1106 O PRO A 74 -0.499 1.479 -8.065 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.350 3.614 -5.932 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.679 2.815 -4.828 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.345 1.450 -4.769 1.00 0.00 C ATOM 0 HA PRO A 74 -3.113 3.034 -7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.610 4.117 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.996 4.387 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.388 2.711 -5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.777 3.329 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.615 0.648 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.848 1.296 -3.814 1.00 0.00 H new ATOM 1117 N SER A 75 -2.020 2.756 -9.146 1.00 0.00 N ATOM 1118 CA SER A 75 -1.480 2.478 -10.465 1.00 0.00 C ATOM 1119 C SER A 75 -0.252 3.353 -10.724 1.00 0.00 C ATOM 1120 O SER A 75 0.647 2.963 -11.467 1.00 0.00 O ATOM 1121 CB SER A 75 -2.534 2.708 -11.552 1.00 0.00 C ATOM 1122 OG SER A 75 -2.049 3.549 -12.595 1.00 0.00 O ATOM 0 H SER A 75 -2.830 3.376 -9.139 1.00 0.00 H new ATOM 0 HA SER A 75 -1.184 1.429 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.838 1.749 -11.971 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.422 3.157 -11.107 1.00 0.00 H new ATOM 0 HG SER A 75 -2.401 3.239 -13.455 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.254 4.521 -10.095 1.00 0.00 N ATOM 1129 CA ASN A 76 0.849 5.454 -10.248 1.00 0.00 C ATOM 1130 C ASN A 76 2.072 4.918 -9.501 1.00 0.00 C ATOM 1131 O ASN A 76 3.148 5.510 -9.560 1.00 0.00 O ATOM 1132 CB ASN A 76 0.497 6.822 -9.660 1.00 0.00 C ATOM 1133 CG ASN A 76 0.565 6.795 -8.131 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.478 5.756 -7.498 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.724 7.993 -7.576 1.00 0.00 N ATOM 0 H ASN A 76 -1.002 4.841 -9.479 1.00 0.00 H new ATOM 0 HA ASN A 76 1.056 5.561 -11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.184 7.575 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.504 7.112 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.780 8.082 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.790 8.823 -8.165 1.00 0.00 H new ATOM 1142 N TYR A 77 1.865 3.803 -8.814 1.00 0.00 N ATOM 1143 CA TYR A 77 2.938 3.181 -8.057 1.00 0.00 C ATOM 1144 C TYR A 77 3.298 1.814 -8.639 1.00 0.00 C ATOM 1145 O TYR A 77 4.109 1.087 -8.068 1.00 0.00 O ATOM 1146 CB TYR A 77 2.396 2.992 -6.638 1.00 0.00 C ATOM 1147 CG TYR A 77 3.009 3.941 -5.607 1.00 0.00 C ATOM 1148 CD1 TYR A 77 2.981 5.305 -5.821 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.590 3.435 -4.461 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.557 6.198 -4.850 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.167 4.329 -3.491 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.121 5.667 -3.733 1.00 0.00 C ATOM 1153 OH TYR A 77 4.666 6.511 -2.816 1.00 0.00 O ATOM 0 H TYR A 77 0.971 3.315 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 77 3.836 3.799 -8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.315 3.135 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.578 1.964 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.527 5.702 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.612 2.368 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.541 7.267 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.626 3.946 -2.592 1.00 0.00 H new ATOM 0 HH TYR A 77 4.425 7.435 -3.038 1.00 0.00 H new ATOM 1163 N VAL A 78 2.678 1.504 -9.768 1.00 0.00 N ATOM 1164 CA VAL A 78 2.923 0.236 -10.434 1.00 0.00 C ATOM 1165 C VAL A 78 3.263 0.495 -11.903 1.00 0.00 C ATOM 1166 O VAL A 78 3.122 1.615 -12.389 1.00 0.00 O ATOM 1167 CB VAL A 78 1.720 -0.691 -10.252 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.256 -0.709 -8.794 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.576 -0.295 -11.187 1.00 0.00 C ATOM 0 H VAL A 78 2.006 2.110 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 78 3.778 -0.272 -9.988 1.00 0.00 H new ATOM 0 HB VAL A 78 2.033 -1.701 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.400 -1.376 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.068 -1.062 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.969 0.298 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.267 -0.970 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.265 0.727 -10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.913 -0.359 -12.222 1.00 0.00 H new ATOM 1179 N ALA A 79 3.703 -0.563 -12.570 1.00 0.00 N ATOM 1180 CA ALA A 79 4.065 -0.465 -13.974 1.00 0.00 C ATOM 1181 C ALA A 79 3.958 -1.847 -14.620 1.00 0.00 C ATOM 1182 O ALA A 79 4.764 -2.732 -14.341 1.00 0.00 O ATOM 1183 CB ALA A 79 5.468 0.131 -14.099 1.00 0.00 C ATOM 0 H ALA A 79 3.817 -1.492 -12.164 1.00 0.00 H new ATOM 0 HA ALA A 79 3.381 0.200 -14.502 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.740 0.205 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.483 1.124 -13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.183 -0.510 -13.584 1.00 0.00 H new ATOM 1189 N ARG A 80 2.956 -1.989 -15.475 1.00 0.00 N ATOM 1190 CA ARG A 80 2.733 -3.249 -16.165 1.00 0.00 C ATOM 1191 C ARG A 80 4.068 -3.892 -16.539 1.00 0.00 C ATOM 1192 O ARG A 80 4.989 -3.208 -16.984 1.00 0.00 O ATOM 1193 CB ARG A 80 1.900 -3.043 -17.432 1.00 0.00 C ATOM 1194 CG ARG A 80 0.426 -3.364 -17.177 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.198 -4.068 -18.384 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.313 -3.257 -18.922 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.040 -3.598 -19.995 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.773 -4.736 -20.652 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.033 -2.800 -20.413 1.00 0.00 N ATOM 0 H ARG A 80 2.289 -1.253 -15.706 1.00 0.00 H new ATOM 0 HA ARG A 80 2.187 -3.906 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.998 -2.012 -17.772 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.282 -3.680 -18.230 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.335 -3.998 -16.295 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.119 -2.444 -16.966 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.556 -4.222 -19.156 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.562 -5.053 -18.093 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.542 -2.384 -18.447 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.016 -5.342 -20.335 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.326 -4.995 -21.469 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.235 -1.933 -19.914 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.586 -3.059 -21.230 1.00 0.00 H new ATOM 1213 N VAL A 81 4.134 -5.201 -16.346 1.00 0.00 N ATOM 1214 CA VAL A 81 5.343 -5.945 -16.659 1.00 0.00 C ATOM 1215 C VAL A 81 5.637 -5.826 -18.155 1.00 0.00 C ATOM 1216 O VAL A 81 6.798 -5.810 -18.564 1.00 0.00 O ATOM 1217 CB VAL A 81 5.201 -7.394 -16.191 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.803 -8.309 -17.352 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.487 -7.884 -15.524 1.00 0.00 C ATOM 0 H VAL A 81 3.369 -5.766 -15.977 1.00 0.00 H new ATOM 0 HA VAL A 81 6.197 -5.528 -16.126 1.00 0.00 H new ATOM 0 HB VAL A 81 4.404 -7.429 -15.448 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.709 -9.334 -16.992 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.849 -7.980 -17.764 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.567 -8.266 -18.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.358 -8.917 -15.201 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.311 -7.826 -16.236 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.710 -7.258 -14.660 1.00 0.00 H new ATOM 1229 N ASP A 82 4.567 -5.744 -18.932 1.00 0.00 N ATOM 1230 CA ASP A 82 4.697 -5.627 -20.374 1.00 0.00 C ATOM 1231 C ASP A 82 4.847 -4.151 -20.750 1.00 0.00 C ATOM 1232 O ASP A 82 4.776 -3.795 -21.926 1.00 0.00 O ATOM 1233 CB ASP A 82 3.456 -6.171 -21.085 1.00 0.00 C ATOM 1234 CG ASP A 82 3.735 -6.929 -22.384 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.929 -7.202 -22.636 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.749 -7.219 -23.096 1.00 0.00 O ATOM 0 H ASP A 82 3.606 -5.756 -18.590 1.00 0.00 H new ATOM 0 HA ASP A 82 5.570 -6.202 -20.681 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.926 -6.834 -20.402 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.787 -5.339 -21.304 1.00 0.00 H new ATOM 1241 N SER A 83 5.051 -3.331 -19.729 1.00 0.00 N ATOM 1242 CA SER A 83 5.211 -1.902 -19.937 1.00 0.00 C ATOM 1243 C SER A 83 6.606 -1.461 -19.488 1.00 0.00 C ATOM 1244 O SER A 83 6.798 -0.318 -19.078 1.00 0.00 O ATOM 1245 CB SER A 83 4.137 -1.112 -19.187 1.00 0.00 C ATOM 1246 OG SER A 83 4.104 0.256 -19.587 1.00 0.00 O ATOM 0 H SER A 83 5.109 -3.629 -18.755 1.00 0.00 H new ATOM 0 HA SER A 83 5.097 -1.696 -21.001 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.162 -1.566 -19.366 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.325 -1.172 -18.115 1.00 0.00 H new ATOM 0 HG SER A 83 5.003 0.640 -19.514 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.486 11.115 -5.257 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.754 11.442 -6.470 1.00 0.00 C ATOM 1380 C PRO B 124 -4.383 10.764 -6.482 1.00 0.00 C ATOM 1381 O PRO B 124 -3.360 11.429 -6.631 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.667 12.959 -6.479 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.940 13.402 -5.052 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.523 12.217 -4.299 1.00 0.00 C ATOM 0 HA PRO B 124 -6.248 11.079 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.683 13.291 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.396 13.388 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.021 13.742 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.635 14.242 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.938 11.987 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.541 12.420 -3.968 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.407 9.448 -6.324 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.178 8.674 -6.316 1.00 0.00 C ATOM 1394 C LEU B 125 -2.300 9.130 -5.148 1.00 0.00 C ATOM 1395 O LEU B 125 -2.422 10.260 -4.681 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.483 8.756 -7.676 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.045 7.847 -8.772 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.612 8.328 -10.159 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.657 6.388 -8.526 1.00 0.00 C ATOM 0 H LEU B 125 -5.258 8.899 -6.201 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.395 7.618 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.533 9.787 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.429 8.517 -7.538 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.133 7.902 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.025 7.665 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.979 9.341 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.524 8.321 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.069 5.763 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.571 6.297 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.055 6.063 -7.565 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.412 8.202 -4.700 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.515 8.497 -3.597 1.00 0.00 C ATOM 1413 C PRO B 126 0.621 9.420 -4.046 1.00 0.00 C ATOM 1414 O PRO B 126 0.843 9.600 -5.243 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.025 7.142 -3.114 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.297 6.172 -4.252 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.240 6.853 -5.230 1.00 0.00 C ATOM 0 HA PRO B 126 -1.006 9.038 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.038 7.174 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.548 6.838 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.633 5.896 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.741 5.252 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.821 6.873 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.193 6.328 -5.293 1.00 0.00 H new ATOM 1425 N PRO B 127 1.329 9.993 -3.036 1.00 0.00 N ATOM 1426 CA PRO B 127 2.437 10.891 -3.314 1.00 0.00 C ATOM 1427 C PRO B 127 3.668 10.114 -3.784 1.00 0.00 C ATOM 1428 O PRO B 127 4.251 9.345 -3.019 1.00 0.00 O ATOM 1429 CB PRO B 127 2.669 11.644 -2.015 1.00 0.00 C ATOM 1430 CG PRO B 127 1.999 10.818 -0.929 1.00 0.00 C ATOM 1431 CD PRO B 127 1.095 9.801 -1.607 1.00 0.00 C ATOM 0 HA PRO B 127 2.223 11.584 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.734 11.760 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.242 12.646 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.747 10.315 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.421 11.459 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.340 8.785 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.049 9.968 -1.351 1.00 0.00 H new ATOM 1439 N LEU B 128 4.030 10.340 -5.038 1.00 0.00 N ATOM 1440 CA LEU B 128 5.181 9.671 -5.618 1.00 0.00 C ATOM 1441 C LEU B 128 6.431 10.018 -4.806 1.00 0.00 C ATOM 1442 O LEU B 128 6.650 11.180 -4.465 1.00 0.00 O ATOM 1443 CB LEU B 128 5.302 10.006 -7.106 1.00 0.00 C ATOM 1444 CG LEU B 128 4.404 9.203 -8.049 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.662 9.583 -9.508 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.562 7.699 -7.811 1.00 0.00 C ATOM 0 H LEU B 128 3.545 10.978 -5.669 1.00 0.00 H new ATOM 0 HA LEU B 128 5.058 8.589 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.080 11.065 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.338 9.857 -7.409 1.00 0.00 H new ATOM 0 HG LEU B 128 3.367 9.456 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.011 8.998 -10.157 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.457 10.644 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.703 9.378 -9.759 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.912 7.152 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.598 7.410 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.288 7.463 -6.783 1.00 0.00 H new ATOM 1458 N PRO B 129 7.238 8.964 -4.512 1.00 0.00 N ATOM 1459 CA PRO B 129 8.459 9.147 -3.746 1.00 0.00 C ATOM 1460 C PRO B 129 9.551 9.789 -4.603 1.00 0.00 C ATOM 1461 O PRO B 129 9.269 10.339 -5.667 1.00 0.00 O ATOM 1462 CB PRO B 129 8.828 7.757 -3.256 1.00 0.00 C ATOM 1463 CG PRO B 129 8.068 6.786 -4.146 1.00 0.00 C ATOM 1464 CD PRO B 129 7.009 7.575 -4.899 1.00 0.00 C ATOM 0 HA PRO B 129 8.331 9.829 -2.906 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.903 7.591 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.552 7.626 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.747 6.296 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.606 6.001 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.108 7.443 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO B 129 6.005 7.249 -4.628 1.00 0.00 H new