USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 425 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 25 THR OG1 : rot -106:sc= -4.53! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 64 SER OG : rot -10:sc= 0.695 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 87 ASN : amide:sc= -3.88 K(o=-3.9,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.622 -1.971 2.061 1.00 0.00 N ATOM 352 CA GLY A 24 -7.664 -1.239 0.808 1.00 0.00 C ATOM 353 C GLY A 24 -6.324 -0.632 0.435 1.00 0.00 C ATOM 354 O GLY A 24 -6.255 0.254 -0.416 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.988 -1.909 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.409 -0.447 0.880 1.00 0.00 H new ATOM 358 N THR A 25 -5.253 -1.138 1.038 1.00 0.00 N ATOM 359 CA THR A 25 -3.915 -0.623 0.774 1.00 0.00 C ATOM 360 C THR A 25 -3.214 -1.395 -0.332 1.00 0.00 C ATOM 361 O THR A 25 -3.234 -2.626 -0.362 1.00 0.00 O ATOM 362 CB THR A 25 -3.057 -0.694 2.032 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.686 -0.612 1.697 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.260 -1.971 2.821 1.00 0.00 C ATOM 0 H THR A 25 -5.286 -1.903 1.712 1.00 0.00 H new ATOM 0 HA THR A 25 -4.036 0.413 0.456 1.00 0.00 H new ATOM 0 HB THR A 25 -3.368 0.148 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.272 -1.495 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.621 -1.959 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.303 -2.046 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.003 -2.828 2.199 1.00 0.00 H new ATOM 372 N SER A 26 -2.530 -0.655 -1.191 1.00 0.00 N ATOM 373 CA SER A 26 -1.766 -1.245 -2.276 1.00 0.00 C ATOM 374 C SER A 26 -0.332 -0.744 -2.249 1.00 0.00 C ATOM 375 O SER A 26 -0.091 0.456 -2.342 1.00 0.00 O ATOM 376 CB SER A 26 -2.397 -0.892 -3.620 1.00 0.00 C ATOM 377 OG SER A 26 -3.733 -1.354 -3.698 1.00 0.00 O ATOM 0 H SER A 26 -2.489 0.364 -1.156 1.00 0.00 H new ATOM 0 HA SER A 26 -1.771 -2.327 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.375 0.188 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.810 -1.332 -4.426 1.00 0.00 H new ATOM 0 HG SER A 26 -4.112 -1.112 -4.569 1.00 0.00 H new ATOM 383 N ALA A 27 0.617 -1.670 -2.194 1.00 0.00 N ATOM 384 CA ALA A 27 2.029 -1.313 -2.196 1.00 0.00 C ATOM 385 C ALA A 27 2.734 -2.027 -3.332 1.00 0.00 C ATOM 386 O ALA A 27 2.376 -3.141 -3.698 1.00 0.00 O ATOM 387 CB ALA A 27 2.683 -1.647 -0.858 1.00 0.00 C ATOM 0 H ALA A 27 0.434 -2.672 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 27 2.116 -0.237 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.737 -1.370 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.185 -1.094 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.595 -2.716 -0.667 1.00 0.00 H new ATOM 393 N THR A 28 3.674 -1.333 -3.946 1.00 0.00 N ATOM 394 CA THR A 28 4.390 -1.868 -5.086 1.00 0.00 C ATOM 395 C THR A 28 5.853 -2.069 -4.737 1.00 0.00 C ATOM 396 O THR A 28 6.487 -1.181 -4.182 1.00 0.00 O ATOM 397 CB THR A 28 4.232 -0.914 -6.274 1.00 0.00 C ATOM 398 OG1 THR A 28 2.944 -1.046 -6.849 1.00 0.00 O ATOM 399 CG2 THR A 28 5.248 -1.129 -7.378 1.00 0.00 C ATOM 0 H THR A 28 3.960 -0.393 -3.672 1.00 0.00 H new ATOM 0 HA THR A 28 3.976 -2.839 -5.359 1.00 0.00 H new ATOM 0 HB THR A 28 4.389 0.081 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.859 -0.429 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.069 -0.415 -8.182 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.253 -0.984 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.154 -2.143 -7.766 1.00 0.00 H new ATOM 407 N ILE A 29 6.383 -3.236 -5.079 1.00 0.00 N ATOM 408 CA ILE A 29 7.763 -3.565 -4.770 1.00 0.00 C ATOM 409 C ILE A 29 8.664 -3.421 -5.984 1.00 0.00 C ATOM 410 O ILE A 29 8.437 -4.037 -7.026 1.00 0.00 O ATOM 411 CB ILE A 29 7.893 -4.998 -4.229 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.709 -5.344 -3.330 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.190 -5.153 -3.462 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.438 -4.302 -2.270 1.00 0.00 C ATOM 0 H ILE A 29 5.875 -3.970 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 29 8.079 -2.857 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 29 7.898 -5.685 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.818 -5.466 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.897 -6.303 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.270 -6.172 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.031 -4.944 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.204 -4.454 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.584 -4.610 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.315 -4.196 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.219 -3.346 -2.747 1.00 0.00 H new ATOM 426 N THR A 30 9.707 -2.625 -5.820 1.00 0.00 N ATOM 427 CA THR A 30 10.684 -2.410 -6.874 1.00 0.00 C ATOM 428 C THR A 30 12.094 -2.645 -6.346 1.00 0.00 C ATOM 429 O THR A 30 12.683 -1.775 -5.707 1.00 0.00 O ATOM 430 CB THR A 30 10.561 -0.991 -7.427 1.00 0.00 C ATOM 431 OG1 THR A 30 11.755 -0.601 -8.083 1.00 0.00 O ATOM 432 CG2 THR A 30 10.256 0.043 -6.365 1.00 0.00 C ATOM 0 H THR A 30 9.900 -2.113 -4.959 1.00 0.00 H new ATOM 0 HA THR A 30 10.489 -3.120 -7.678 1.00 0.00 H new ATOM 0 HB THR A 30 9.724 -1.026 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.655 0.310 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.182 1.028 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.311 -0.202 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.055 0.049 -5.623 1.00 0.00 H new ATOM 440 N SER A 31 12.628 -3.831 -6.617 1.00 0.00 N ATOM 441 CA SER A 31 13.959 -4.189 -6.161 1.00 0.00 C ATOM 442 C SER A 31 14.892 -4.435 -7.343 1.00 0.00 C ATOM 443 O SER A 31 14.446 -4.786 -8.435 1.00 0.00 O ATOM 444 CB SER A 31 13.900 -5.432 -5.272 1.00 0.00 C ATOM 445 OG SER A 31 12.590 -5.640 -4.773 1.00 0.00 O ATOM 0 H SER A 31 12.155 -4.560 -7.152 1.00 0.00 H new ATOM 0 HA SER A 31 14.353 -3.356 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.219 -6.305 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.596 -5.322 -4.441 1.00 0.00 H new ATOM 0 HG SER A 31 12.578 -6.441 -4.209 1.00 0.00 H new ATOM 451 N GLY A 32 16.187 -4.254 -7.115 1.00 0.00 N ATOM 452 CA GLY A 32 17.161 -4.458 -8.172 1.00 0.00 C ATOM 453 C GLY A 32 17.114 -5.858 -8.753 1.00 0.00 C ATOM 454 O GLY A 32 17.628 -6.100 -9.845 1.00 0.00 O ATOM 0 H GLY A 32 16.581 -3.970 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.984 -3.734 -8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.160 -4.265 -7.781 1.00 0.00 H new ATOM 458 N GLU A 33 16.498 -6.785 -8.023 1.00 0.00 N ATOM 459 CA GLU A 33 16.400 -8.169 -8.472 1.00 0.00 C ATOM 460 C GLU A 33 15.155 -8.388 -9.327 1.00 0.00 C ATOM 461 O GLU A 33 15.252 -8.620 -10.532 1.00 0.00 O ATOM 462 CB GLU A 33 16.376 -9.113 -7.270 1.00 0.00 C ATOM 463 CG GLU A 33 17.539 -8.908 -6.313 1.00 0.00 C ATOM 464 CD GLU A 33 17.137 -9.081 -4.861 1.00 0.00 C ATOM 465 OE1 GLU A 33 17.152 -10.231 -4.374 1.00 0.00 O ATOM 466 OE2 GLU A 33 16.808 -8.066 -4.211 1.00 0.00 O ATOM 0 H GLU A 33 16.060 -6.602 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 33 17.276 -8.384 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.441 -8.974 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.387 -10.143 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.332 -9.616 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.950 -7.909 -6.456 1.00 0.00 H new ATOM 473 N GLN A 34 13.988 -8.331 -8.693 1.00 0.00 N ATOM 474 CA GLN A 34 12.727 -8.539 -9.396 1.00 0.00 C ATOM 475 C GLN A 34 11.752 -7.398 -9.127 1.00 0.00 C ATOM 476 O GLN A 34 10.766 -7.566 -8.410 1.00 0.00 O ATOM 477 CB GLN A 34 12.099 -9.869 -8.974 1.00 0.00 C ATOM 478 CG GLN A 34 10.765 -10.152 -9.645 1.00 0.00 C ATOM 479 CD GLN A 34 10.585 -11.617 -9.987 1.00 0.00 C ATOM 480 OE1 GLN A 34 9.737 -12.301 -9.414 1.00 0.00 O ATOM 481 NE2 GLN A 34 11.385 -12.108 -10.928 1.00 0.00 N ATOM 0 H GLN A 34 13.889 -8.143 -7.695 1.00 0.00 H new ATOM 0 HA GLN A 34 12.939 -8.564 -10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.792 -10.678 -9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.960 -9.869 -7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.957 -9.834 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.687 -9.558 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.074 -11.505 -11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.310 -13.088 -11.201 1.00 0.00 H new ATOM 490 N SER A 35 12.029 -6.240 -9.716 1.00 0.00 N ATOM 491 CA SER A 35 11.174 -5.071 -9.547 1.00 0.00 C ATOM 492 C SER A 35 10.012 -5.098 -10.535 1.00 0.00 C ATOM 493 O SER A 35 10.154 -5.568 -11.663 1.00 0.00 O ATOM 494 CB SER A 35 11.986 -3.789 -9.741 1.00 0.00 C ATOM 495 OG SER A 35 12.777 -3.857 -10.915 1.00 0.00 O ATOM 0 H SER A 35 12.840 -6.086 -10.315 1.00 0.00 H new ATOM 0 HA SER A 35 10.770 -5.092 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.312 -2.934 -9.802 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.628 -3.627 -8.875 1.00 0.00 H new ATOM 0 HG SER A 35 13.285 -3.025 -11.016 1.00 0.00 H new ATOM 501 N GLY A 36 8.863 -4.584 -10.106 1.00 0.00 N ATOM 502 CA GLY A 36 7.698 -4.551 -10.971 1.00 0.00 C ATOM 503 C GLY A 36 6.564 -5.418 -10.459 1.00 0.00 C ATOM 504 O GLY A 36 5.718 -5.865 -11.233 1.00 0.00 O ATOM 0 H GLY A 36 8.718 -4.190 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.350 -3.523 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.982 -4.884 -11.969 1.00 0.00 H new ATOM 508 N ALA A 37 6.545 -5.654 -9.152 1.00 0.00 N ATOM 509 CA ALA A 37 5.502 -6.468 -8.538 1.00 0.00 C ATOM 510 C ALA A 37 4.685 -5.649 -7.546 1.00 0.00 C ATOM 511 O ALA A 37 5.239 -4.970 -6.682 1.00 0.00 O ATOM 512 CB ALA A 37 6.113 -7.679 -7.850 1.00 0.00 C ATOM 0 H ALA A 37 7.239 -5.294 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 37 4.832 -6.813 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.323 -8.277 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.649 -8.282 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.806 -7.347 -7.077 1.00 0.00 H new ATOM 518 N VAL A 38 3.363 -5.713 -7.677 1.00 0.00 N ATOM 519 CA VAL A 38 2.476 -4.970 -6.792 1.00 0.00 C ATOM 520 C VAL A 38 1.873 -5.876 -5.723 1.00 0.00 C ATOM 521 O VAL A 38 1.221 -6.874 -6.031 1.00 0.00 O ATOM 522 CB VAL A 38 1.345 -4.278 -7.577 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.424 -3.515 -6.636 1.00 0.00 C ATOM 524 CG2 VAL A 38 1.922 -3.349 -8.635 1.00 0.00 C ATOM 0 H VAL A 38 2.885 -6.270 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 38 3.083 -4.206 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 38 0.756 -5.046 -8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.367 -3.034 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.018 -4.207 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.997 -2.756 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.109 -2.869 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.537 -2.588 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.534 -3.924 -9.330 1.00 0.00 H new ATOM 534 N ILE A 39 2.097 -5.516 -4.462 1.00 0.00 N ATOM 535 CA ILE A 39 1.593 -6.290 -3.335 1.00 0.00 C ATOM 536 C ILE A 39 0.592 -5.500 -2.504 1.00 0.00 C ATOM 537 O ILE A 39 0.570 -4.270 -2.539 1.00 0.00 O ATOM 538 CB ILE A 39 2.729 -6.738 -2.400 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.477 -5.533 -1.841 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.681 -7.679 -3.122 1.00 0.00 C ATOM 541 CD1 ILE A 39 3.033 -5.158 -0.449 1.00 0.00 C ATOM 0 H ILE A 39 2.628 -4.687 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 39 1.103 -7.161 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 39 2.287 -7.279 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.545 -5.749 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.330 -4.681 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.477 -7.984 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.135 -8.560 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.114 -7.169 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.602 -4.294 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.971 -4.913 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.205 -5.996 0.226 1.00 0.00 H new ATOM 553 N ARG A 40 -0.211 -6.221 -1.732 1.00 0.00 N ATOM 554 CA ARG A 40 -1.169 -5.599 -0.830 1.00 0.00 C ATOM 555 C ARG A 40 -0.640 -5.658 0.598 1.00 0.00 C ATOM 556 O ARG A 40 0.058 -6.600 0.972 1.00 0.00 O ATOM 557 CB ARG A 40 -2.532 -6.296 -0.924 1.00 0.00 C ATOM 558 CG ARG A 40 -3.492 -5.936 0.205 1.00 0.00 C ATOM 559 CD ARG A 40 -4.942 -6.043 -0.237 1.00 0.00 C ATOM 560 NE ARG A 40 -5.221 -7.317 -0.893 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.440 -7.834 -1.009 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.487 -7.188 -0.515 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.614 -8.999 -1.620 1.00 0.00 N ATOM 0 H ARG A 40 -0.217 -7.241 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.301 -4.557 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.995 -6.039 -1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.377 -7.375 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.320 -6.598 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.289 -4.921 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.594 -5.931 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.174 -5.225 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.437 -7.839 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.358 -6.292 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.421 -7.587 -0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.811 -9.500 -2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.550 -9.394 -1.708 1.00 0.00 H new ATOM 577 N GLY A 41 -0.964 -4.646 1.388 1.00 0.00 N ATOM 578 CA GLY A 41 -0.498 -4.605 2.760 1.00 0.00 C ATOM 579 C GLY A 41 -0.335 -3.188 3.261 1.00 0.00 C ATOM 580 O GLY A 41 -0.117 -2.273 2.472 1.00 0.00 O ATOM 0 H GLY A 41 -1.540 -3.853 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.204 -5.136 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.455 -5.128 2.835 1.00 0.00 H new ATOM 584 N VAL A 42 -0.453 -2.996 4.571 1.00 0.00 N ATOM 585 CA VAL A 42 -0.371 -1.657 5.138 1.00 0.00 C ATOM 586 C VAL A 42 0.714 -1.546 6.212 1.00 0.00 C ATOM 587 O VAL A 42 1.327 -2.533 6.611 1.00 0.00 O ATOM 588 CB VAL A 42 -1.766 -1.206 5.682 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.763 -0.835 7.169 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.291 -0.044 4.853 1.00 0.00 C ATOM 0 H VAL A 42 -0.604 -3.741 5.251 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.080 -0.979 4.336 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.426 -2.069 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.766 -0.533 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.451 -1.697 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.070 -0.011 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.263 0.266 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.593 0.791 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.393 -0.356 3.814 1.00 0.00 H new ATOM 600 N PHE A 43 0.886 -0.322 6.693 1.00 0.00 N ATOM 601 CA PHE A 43 1.845 0.000 7.736 1.00 0.00 C ATOM 602 C PHE A 43 1.202 -0.129 9.114 1.00 0.00 C ATOM 603 O PHE A 43 0.044 0.244 9.303 1.00 0.00 O ATOM 604 CB PHE A 43 2.319 1.431 7.518 1.00 0.00 C ATOM 605 CG PHE A 43 3.166 1.997 8.619 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.579 2.609 9.715 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.548 1.975 8.529 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.355 3.157 10.718 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.330 2.521 9.528 1.00 0.00 C ATOM 610 CZ PHE A 43 4.732 3.118 10.621 1.00 0.00 C ATOM 0 H PHE A 43 0.355 0.484 6.364 1.00 0.00 H new ATOM 0 HA PHE A 43 2.686 -0.692 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.886 1.472 6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.446 2.070 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.502 2.658 9.786 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.020 1.526 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.886 3.615 11.576 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.407 2.481 9.455 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.341 3.554 11.399 1.00 0.00 H new ATOM 893 N SER A 64 5.507 -2.245 11.628 1.00 0.00 N ATOM 894 CA SER A 64 5.629 -3.358 10.697 1.00 0.00 C ATOM 895 C SER A 64 4.529 -3.311 9.647 1.00 0.00 C ATOM 896 O SER A 64 3.558 -2.572 9.785 1.00 0.00 O ATOM 897 CB SER A 64 5.605 -4.693 11.441 1.00 0.00 C ATOM 898 OG SER A 64 5.050 -4.547 12.738 1.00 0.00 O ATOM 0 HA SER A 64 6.589 -3.267 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.023 -5.419 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.618 -5.088 11.518 1.00 0.00 H new ATOM 0 HG SER A 64 4.940 -3.595 12.941 1.00 0.00 H new ATOM 904 N LEU A 65 4.701 -4.090 8.583 1.00 0.00 N ATOM 905 CA LEU A 65 3.746 -4.095 7.482 1.00 0.00 C ATOM 906 C LEU A 65 3.033 -5.446 7.412 1.00 0.00 C ATOM 907 O LEU A 65 3.614 -6.487 7.721 1.00 0.00 O ATOM 908 CB LEU A 65 4.449 -3.779 6.149 1.00 0.00 C ATOM 909 CG LEU A 65 3.804 -4.372 4.886 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.982 -3.431 3.702 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.388 -5.741 4.580 1.00 0.00 C ATOM 0 H LEU A 65 5.491 -4.724 8.461 1.00 0.00 H new ATOM 0 HA LEU A 65 3.003 -3.318 7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.495 -2.696 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.477 -4.137 6.210 1.00 0.00 H new ATOM 0 HG LEU A 65 2.736 -4.491 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.519 -3.868 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.510 -2.474 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.045 -3.277 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.919 -6.144 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.462 -5.651 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.202 -6.412 5.419 1.00 0.00 H new ATOM 923 N PHE A 66 1.743 -5.396 7.115 1.00 0.00 N ATOM 924 CA PHE A 66 0.924 -6.596 7.018 1.00 0.00 C ATOM 925 C PHE A 66 0.663 -6.931 5.562 1.00 0.00 C ATOM 926 O PHE A 66 0.016 -6.169 4.849 1.00 0.00 O ATOM 927 CB PHE A 66 -0.406 -6.395 7.748 1.00 0.00 C ATOM 928 CG PHE A 66 -0.378 -6.836 9.182 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.170 -8.060 9.533 1.00 0.00 C ATOM 930 CD2 PHE A 66 -0.903 -6.031 10.180 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.197 -8.471 10.852 1.00 0.00 C ATOM 932 CE2 PHE A 66 -0.880 -6.436 11.501 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.329 -7.658 11.837 1.00 0.00 C ATOM 0 H PHE A 66 1.237 -4.529 6.935 1.00 0.00 H new ATOM 0 HA PHE A 66 1.462 -7.421 7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.678 -5.340 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.186 -6.946 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.581 -8.700 8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.335 -5.075 9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.629 -9.426 11.112 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.292 -5.799 12.269 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.310 -7.977 12.869 1.00 0.00 H new ATOM 943 N VAL A 67 1.177 -8.065 5.120 1.00 0.00 N ATOM 944 CA VAL A 67 1.032 -8.468 3.733 1.00 0.00 C ATOM 945 C VAL A 67 -0.035 -9.541 3.572 1.00 0.00 C ATOM 946 O VAL A 67 -0.419 -10.204 4.536 1.00 0.00 O ATOM 947 CB VAL A 67 2.369 -8.968 3.176 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.838 -10.199 3.939 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.262 -9.260 1.686 1.00 0.00 C ATOM 0 H VAL A 67 1.698 -8.722 5.701 1.00 0.00 H new ATOM 0 HA VAL A 67 0.716 -7.591 3.168 1.00 0.00 H new ATOM 0 HB VAL A 67 3.111 -8.180 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.789 -10.540 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.965 -9.948 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.096 -10.992 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.224 -9.613 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.505 -10.026 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.981 -8.350 1.156 1.00 0.00 H new ATOM 959 N ARG A 68 -0.531 -9.684 2.349 1.00 0.00 N ATOM 960 CA ARG A 68 -1.593 -10.641 2.061 1.00 0.00 C ATOM 961 C ARG A 68 -1.059 -12.062 1.933 1.00 0.00 C ATOM 962 O ARG A 68 -1.525 -12.970 2.622 1.00 0.00 O ATOM 963 CB ARG A 68 -2.324 -10.239 0.782 1.00 0.00 C ATOM 964 CG ARG A 68 -3.616 -9.485 1.043 1.00 0.00 C ATOM 965 CD ARG A 68 -4.552 -10.273 1.944 1.00 0.00 C ATOM 966 NE ARG A 68 -5.908 -10.336 1.405 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.853 -11.139 1.883 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.591 -11.945 2.903 1.00 0.00 N ATOM 969 NH2 ARG A 68 -8.063 -11.138 1.339 1.00 0.00 N ATOM 0 H ARG A 68 -0.215 -9.149 1.540 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.288 -10.626 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.665 -9.619 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.544 -11.134 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.390 -8.524 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.113 -9.275 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.166 -11.284 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.576 -9.813 2.932 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.143 -9.730 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.662 -11.950 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.319 -12.560 3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.268 -10.521 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.788 -11.755 1.706 1.00 0.00 H new ATOM 983 N THR A 69 -0.097 -12.262 1.040 1.00 0.00 N ATOM 984 CA THR A 69 0.458 -13.592 0.815 1.00 0.00 C ATOM 985 C THR A 69 1.784 -13.782 1.553 1.00 0.00 C ATOM 986 O THR A 69 1.802 -14.238 2.697 1.00 0.00 O ATOM 987 CB THR A 69 0.639 -13.844 -0.684 1.00 0.00 C ATOM 988 OG1 THR A 69 0.764 -12.620 -1.386 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.504 -14.617 -1.303 1.00 0.00 C ATOM 0 H THR A 69 0.313 -11.527 0.464 1.00 0.00 H new ATOM 0 HA THR A 69 -0.248 -14.320 1.215 1.00 0.00 H new ATOM 0 HB THR A 69 1.546 -14.442 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.881 -12.802 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.312 -14.761 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.593 -15.588 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.432 -14.060 -1.174 1.00 0.00 H new ATOM 997 N ASP A 70 2.893 -13.453 0.894 1.00 0.00 N ATOM 998 CA ASP A 70 4.213 -13.612 1.497 1.00 0.00 C ATOM 999 C ASP A 70 5.311 -13.085 0.578 1.00 0.00 C ATOM 1000 O ASP A 70 6.424 -13.608 0.567 1.00 0.00 O ATOM 1001 CB ASP A 70 4.470 -15.080 1.823 1.00 0.00 C ATOM 1002 CG ASP A 70 4.858 -15.291 3.273 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.032 -15.040 3.616 1.00 0.00 O ATOM 1004 OD2 ASP A 70 3.987 -15.707 4.066 1.00 0.00 O ATOM 0 H ASP A 70 2.904 -13.076 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 70 4.231 -13.029 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.575 -15.661 1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.263 -15.459 1.179 1.00 0.00 H new ATOM 1009 N GLU A 71 4.992 -12.052 -0.195 1.00 0.00 N ATOM 1010 CA GLU A 71 5.962 -11.447 -1.093 1.00 0.00 C ATOM 1011 C GLU A 71 6.884 -10.521 -0.317 1.00 0.00 C ATOM 1012 O GLU A 71 8.097 -10.520 -0.521 1.00 0.00 O ATOM 1013 CB GLU A 71 5.257 -10.677 -2.210 1.00 0.00 C ATOM 1014 CG GLU A 71 5.582 -11.197 -3.600 1.00 0.00 C ATOM 1015 CD GLU A 71 4.611 -10.698 -4.652 1.00 0.00 C ATOM 1016 OE1 GLU A 71 3.474 -11.213 -4.702 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.988 -9.794 -5.427 1.00 0.00 O ATOM 0 H GLU A 71 4.069 -11.618 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 71 6.556 -12.241 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.180 -10.730 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.537 -9.625 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.593 -10.892 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.570 -12.287 -3.588 1.00 0.00 H new ATOM 1024 N VAL A 72 6.301 -9.756 0.598 1.00 0.00 N ATOM 1025 CA VAL A 72 7.078 -8.866 1.442 1.00 0.00 C ATOM 1026 C VAL A 72 8.137 -9.655 2.192 1.00 0.00 C ATOM 1027 O VAL A 72 9.246 -9.173 2.421 1.00 0.00 O ATOM 1028 CB VAL A 72 6.193 -8.130 2.449 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.193 -7.242 1.727 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.496 -9.128 3.358 1.00 0.00 C ATOM 0 H VAL A 72 5.296 -9.736 0.772 1.00 0.00 H new ATOM 0 HA VAL A 72 7.550 -8.127 0.794 1.00 0.00 H new ATOM 0 HB VAL A 72 6.817 -7.487 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.571 -6.725 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.727 -6.509 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.562 -7.854 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.868 -8.594 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.877 -9.795 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.242 -9.712 3.897 1.00 0.00 H new ATOM 1040 N ARG A 73 7.796 -10.892 2.539 1.00 0.00 N ATOM 1041 CA ARG A 73 8.738 -11.787 3.195 1.00 0.00 C ATOM 1042 C ARG A 73 10.011 -11.886 2.363 1.00 0.00 C ATOM 1043 O ARG A 73 11.110 -12.057 2.893 1.00 0.00 O ATOM 1044 CB ARG A 73 8.111 -13.172 3.361 1.00 0.00 C ATOM 1045 CG ARG A 73 8.759 -14.014 4.444 1.00 0.00 C ATOM 1046 CD ARG A 73 9.883 -14.870 3.885 1.00 0.00 C ATOM 1047 NE ARG A 73 9.381 -16.089 3.255 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.105 -16.849 2.440 1.00 0.00 C ATOM 1049 NH1 ARG A 73 11.358 -16.517 2.159 1.00 0.00 N ATOM 1050 NH2 ARG A 73 9.578 -17.941 1.906 1.00 0.00 N ATOM 0 H ARG A 73 6.874 -11.296 2.376 1.00 0.00 H new ATOM 0 HA ARG A 73 8.984 -11.392 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.052 -13.055 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.175 -13.705 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.150 -13.364 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.008 -14.654 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.450 -14.292 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.571 -15.134 4.688 1.00 0.00 H new ATOM 0 HE ARG A 73 8.421 -16.373 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.767 -15.677 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.912 -17.101 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.615 -18.200 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.135 -18.523 1.281 1.00 0.00 H new ATOM 1064 N GLN A 74 9.841 -11.749 1.053 1.00 0.00 N ATOM 1065 CA GLN A 74 10.953 -11.789 0.113 1.00 0.00 C ATOM 1066 C GLN A 74 11.579 -10.406 -0.038 1.00 0.00 C ATOM 1067 O GLN A 74 12.742 -10.281 -0.420 1.00 0.00 O ATOM 1068 CB GLN A 74 10.463 -12.294 -1.248 1.00 0.00 C ATOM 1069 CG GLN A 74 9.367 -13.344 -1.149 1.00 0.00 C ATOM 1070 CD GLN A 74 9.346 -14.279 -2.342 1.00 0.00 C ATOM 1071 OE1 GLN A 74 10.210 -15.143 -2.484 1.00 0.00 O ATOM 1072 NE2 GLN A 74 8.354 -14.109 -3.209 1.00 0.00 N ATOM 0 H GLN A 74 8.931 -11.608 0.614 1.00 0.00 H new ATOM 0 HA GLN A 74 11.712 -12.470 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.093 -11.449 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.307 -12.712 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.508 -13.926 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.400 -12.848 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.659 -13.379 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.288 -14.708 -4.032 1.00 0.00 H new ATOM 1081 N LEU A 75 10.799 -9.373 0.277 1.00 0.00 N ATOM 1082 CA LEU A 75 11.266 -7.995 0.197 1.00 0.00 C ATOM 1083 C LEU A 75 12.357 -7.724 1.223 1.00 0.00 C ATOM 1084 O LEU A 75 12.182 -6.908 2.127 1.00 0.00 O ATOM 1085 CB LEU A 75 10.109 -7.032 0.421 1.00 0.00 C ATOM 1086 CG LEU A 75 9.423 -6.560 -0.823 1.00 0.00 C ATOM 1087 CD1 LEU A 75 9.089 -7.752 -1.714 1.00 0.00 C ATOM 1088 CD2 LEU A 75 8.163 -5.806 -0.436 1.00 0.00 C ATOM 0 H LEU A 75 9.834 -9.469 0.592 1.00 0.00 H new ATOM 0 HA LEU A 75 11.680 -7.842 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.372 -7.517 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.480 -6.163 0.964 1.00 0.00 H new ATOM 0 HG LEU A 75 10.080 -5.892 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.590 -7.402 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.008 -8.272 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.430 -8.435 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.656 -5.458 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.500 -6.468 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.427 -4.950 0.185 1.00 0.00 H new ATOM 1100 N ARG A 76 13.477 -8.418 1.091 1.00 0.00 N ATOM 1101 CA ARG A 76 14.587 -8.249 2.012 1.00 0.00 C ATOM 1102 C ARG A 76 15.094 -6.811 1.984 1.00 0.00 C ATOM 1103 O ARG A 76 14.871 -6.083 1.017 1.00 0.00 O ATOM 1104 CB ARG A 76 15.713 -9.219 1.657 1.00 0.00 C ATOM 1105 CG ARG A 76 15.262 -10.671 1.588 1.00 0.00 C ATOM 1106 CD ARG A 76 15.396 -11.358 2.937 1.00 0.00 C ATOM 1107 NE ARG A 76 15.748 -12.767 2.802 1.00 0.00 N ATOM 1108 CZ ARG A 76 14.863 -13.724 2.539 1.00 0.00 C ATOM 1109 NH1 ARG A 76 13.582 -13.422 2.386 1.00 0.00 N ATOM 1110 NH2 ARG A 76 15.261 -14.984 2.429 1.00 0.00 N ATOM 0 H ARG A 76 13.640 -9.104 0.354 1.00 0.00 H new ATOM 0 HA ARG A 76 14.239 -8.468 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.139 -8.933 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.508 -9.128 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.225 -10.716 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.857 -11.204 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.157 -10.850 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.457 -11.270 3.483 1.00 0.00 H new ATOM 0 HE ARG A 76 16.726 -13.033 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.273 -12.454 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.905 -14.158 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.246 -15.220 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.582 -15.718 2.227 1.00 0.00 H new ATOM 1124 N ARG A 77 15.769 -6.403 3.056 1.00 0.00 N ATOM 1125 CA ARG A 77 16.296 -5.044 3.169 1.00 0.00 C ATOM 1126 C ARG A 77 16.929 -4.576 1.861 1.00 0.00 C ATOM 1127 O ARG A 77 17.332 -5.389 1.028 1.00 0.00 O ATOM 1128 CB ARG A 77 17.328 -4.978 4.292 1.00 0.00 C ATOM 1129 CG ARG A 77 16.813 -4.324 5.561 1.00 0.00 C ATOM 1130 CD ARG A 77 17.937 -4.105 6.559 1.00 0.00 C ATOM 1131 NE ARG A 77 17.592 -3.108 7.567 1.00 0.00 N ATOM 1132 CZ ARG A 77 18.390 -2.781 8.579 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.570 -3.370 8.712 1.00 0.00 N ATOM 1134 NH2 ARG A 77 18.008 -1.865 9.457 1.00 0.00 N ATOM 0 H ARG A 77 15.965 -6.996 3.862 1.00 0.00 H new ATOM 0 HA ARG A 77 15.461 -4.381 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.662 -5.989 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.200 -4.428 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.347 -3.369 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.042 -4.950 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.174 -5.049 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.835 -3.788 6.029 1.00 0.00 H new ATOM 0 HE ARG A 77 16.691 -2.637 7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.867 -4.075 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.181 -3.118 9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.101 -1.410 9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.621 -1.615 10.233 1.00 0.00 H new ATOM 1148 N GLY A 78 17.012 -3.261 1.687 1.00 0.00 N ATOM 1149 CA GLY A 78 17.593 -2.709 0.478 1.00 0.00 C ATOM 1150 C GLY A 78 16.624 -2.726 -0.689 1.00 0.00 C ATOM 1151 O GLY A 78 17.038 -2.789 -1.846 1.00 0.00 O ATOM 0 H GLY A 78 16.687 -2.568 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.912 -1.684 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.485 -3.277 0.214 1.00 0.00 H new ATOM 1155 N ASP A 79 15.332 -2.671 -0.382 1.00 0.00 N ATOM 1156 CA ASP A 79 14.301 -2.680 -1.413 1.00 0.00 C ATOM 1157 C ASP A 79 13.367 -1.485 -1.259 1.00 0.00 C ATOM 1158 O ASP A 79 12.999 -1.109 -0.146 1.00 0.00 O ATOM 1159 CB ASP A 79 13.498 -3.981 -1.350 1.00 0.00 C ATOM 1160 CG ASP A 79 14.333 -5.195 -1.707 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.532 -5.023 -2.013 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.788 -6.319 -1.680 1.00 0.00 O ATOM 0 H ASP A 79 14.974 -2.620 0.572 1.00 0.00 H new ATOM 0 HA ASP A 79 14.793 -2.611 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.092 -4.106 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.650 -3.914 -2.031 1.00 0.00 H new ATOM 1167 N THR A 80 12.987 -0.891 -2.386 1.00 0.00 N ATOM 1168 CA THR A 80 12.091 0.261 -2.382 1.00 0.00 C ATOM 1169 C THR A 80 10.713 -0.126 -2.905 1.00 0.00 C ATOM 1170 O THR A 80 10.600 -0.872 -3.878 1.00 0.00 O ATOM 1171 CB THR A 80 12.674 1.385 -3.240 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.554 0.860 -4.220 1.00 0.00 O ATOM 1173 CG2 THR A 80 13.440 2.417 -2.441 1.00 0.00 C ATOM 0 H THR A 80 13.286 -1.189 -3.315 1.00 0.00 H new ATOM 0 HA THR A 80 11.988 0.610 -1.355 1.00 0.00 H new ATOM 0 HB THR A 80 11.814 1.873 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.916 1.593 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.826 3.184 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.776 2.876 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.271 1.935 -1.926 1.00 0.00 H new ATOM 1181 N LEU A 81 9.666 0.385 -2.265 1.00 0.00 N ATOM 1182 CA LEU A 81 8.305 0.070 -2.672 1.00 0.00 C ATOM 1183 C LEU A 81 7.408 1.307 -2.586 1.00 0.00 C ATOM 1184 O LEU A 81 7.729 2.270 -1.894 1.00 0.00 O ATOM 1185 CB LEU A 81 7.730 -1.070 -1.814 1.00 0.00 C ATOM 1186 CG LEU A 81 8.623 -1.555 -0.664 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.776 -2.088 0.481 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.597 -2.609 -1.159 1.00 0.00 C ATOM 0 H LEU A 81 9.735 1.016 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 81 8.334 -0.260 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.779 -0.741 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.516 -1.917 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 81 9.200 -0.709 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.426 -2.427 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.123 -1.297 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.170 -2.923 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.223 -2.943 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.042 -3.457 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.226 -2.184 -1.942 1.00 0.00 H new ATOM 1200 N THR A 82 6.300 1.285 -3.320 1.00 0.00 N ATOM 1201 CA THR A 82 5.370 2.411 -3.346 1.00 0.00 C ATOM 1202 C THR A 82 3.977 1.988 -2.889 1.00 0.00 C ATOM 1203 O THR A 82 3.359 1.118 -3.498 1.00 0.00 O ATOM 1204 CB THR A 82 5.274 2.970 -4.765 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.563 1.965 -5.721 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.201 4.128 -5.021 1.00 0.00 C ATOM 0 H THR A 82 6.023 0.498 -3.907 1.00 0.00 H new ATOM 0 HA THR A 82 5.748 3.172 -2.664 1.00 0.00 H new ATOM 0 HB THR A 82 4.248 3.325 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.495 2.342 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.078 4.472 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.965 4.941 -4.335 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.232 3.810 -4.866 1.00 0.00 H new ATOM 1214 N ILE A 83 3.465 2.637 -1.848 1.00 0.00 N ATOM 1215 CA ILE A 83 2.122 2.332 -1.353 1.00 0.00 C ATOM 1216 C ILE A 83 1.268 3.590 -1.257 1.00 0.00 C ATOM 1217 O ILE A 83 1.742 4.631 -0.809 1.00 0.00 O ATOM 1218 CB ILE A 83 2.151 1.649 0.027 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.746 1.202 0.437 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.723 2.593 1.064 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.676 0.651 1.844 1.00 0.00 C ATOM 0 H ILE A 83 3.952 3.371 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 83 1.684 1.644 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 83 2.788 0.767 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.065 2.049 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.397 0.441 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.739 2.100 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.738 2.871 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.104 3.488 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.349 0.354 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.332 -0.215 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.994 1.417 2.551 1.00 0.00 H new ATOM 1233 N GLY A 84 0.004 3.487 -1.683 1.00 0.00 N ATOM 1234 CA GLY A 84 -0.912 4.624 -1.630 1.00 0.00 C ATOM 1235 C GLY A 84 -0.243 5.940 -1.984 1.00 0.00 C ATOM 1236 O GLY A 84 -0.133 6.296 -3.157 1.00 0.00 O ATOM 0 H GLY A 84 -0.403 2.633 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.741 4.448 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.336 4.696 -0.628 1.00 0.00 H new ATOM 1240 N GLU A 85 0.241 6.640 -0.961 1.00 0.00 N ATOM 1241 CA GLU A 85 0.967 7.891 -1.160 1.00 0.00 C ATOM 1242 C GLU A 85 2.057 7.712 -2.216 1.00 0.00 C ATOM 1243 O GLU A 85 2.435 8.670 -2.885 1.00 0.00 O ATOM 1244 CB GLU A 85 1.590 8.357 0.161 1.00 0.00 C ATOM 1245 CG GLU A 85 0.575 8.878 1.164 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.233 10.043 0.626 1.00 0.00 C ATOM 1247 OE1 GLU A 85 0.365 11.104 0.352 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -1.465 9.894 0.482 1.00 0.00 O ATOM 0 H GLU A 85 0.143 6.361 0.015 1.00 0.00 H new ATOM 0 HA GLU A 85 0.264 8.648 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.136 7.526 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.318 9.141 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.101 8.070 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.093 9.188 2.071 1.00 0.00 H new ATOM 1255 N GLU A 86 2.528 6.463 -2.350 1.00 0.00 N ATOM 1256 CA GLU A 86 3.566 6.060 -3.311 1.00 0.00 C ATOM 1257 C GLU A 86 4.919 5.914 -2.636 1.00 0.00 C ATOM 1258 O GLU A 86 5.950 6.095 -3.274 1.00 0.00 O ATOM 1259 CB GLU A 86 3.704 7.023 -4.498 1.00 0.00 C ATOM 1260 CG GLU A 86 2.433 7.189 -5.306 1.00 0.00 C ATOM 1261 CD GLU A 86 2.070 8.644 -5.533 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.993 9.468 -5.694 1.00 0.00 O ATOM 1263 OE2 GLU A 86 0.861 8.959 -5.552 1.00 0.00 O ATOM 0 H GLU A 86 2.190 5.687 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 86 3.237 5.096 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.017 7.999 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.496 6.663 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.553 6.694 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.612 6.690 -4.791 1.00 0.00 H new ATOM 1270 N ASN A 87 4.937 5.675 -1.333 1.00 0.00 N ATOM 1271 CA ASN A 87 6.217 5.512 -0.665 1.00 0.00 C ATOM 1272 C ASN A 87 6.205 4.478 0.460 1.00 0.00 C ATOM 1273 O ASN A 87 5.666 4.718 1.538 1.00 0.00 O ATOM 1274 CB ASN A 87 6.724 6.851 -0.153 1.00 0.00 C ATOM 1275 CG ASN A 87 7.288 7.715 -1.263 1.00 0.00 C ATOM 1276 OD1 ASN A 87 6.884 8.862 -1.442 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.228 7.162 -2.022 1.00 0.00 N ATOM 0 H ASN A 87 4.113 5.592 -0.737 1.00 0.00 H new ATOM 0 HA ASN A 87 6.901 5.123 -1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.909 7.382 0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.494 6.682 0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.643 7.693 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.535 6.207 -1.839 1.00 0.00 H new ATOM 1284 N PHE A 88 6.895 3.371 0.215 1.00 0.00 N ATOM 1285 CA PHE A 88 7.120 2.335 1.212 1.00 0.00 C ATOM 1286 C PHE A 88 8.537 1.816 1.060 1.00 0.00 C ATOM 1287 O PHE A 88 8.932 1.367 -0.011 1.00 0.00 O ATOM 1288 CB PHE A 88 6.124 1.175 1.067 1.00 0.00 C ATOM 1289 CG PHE A 88 5.076 1.080 2.147 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.846 2.127 3.017 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.318 -0.072 2.284 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.887 2.033 4.009 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.354 -0.173 3.268 1.00 0.00 C ATOM 1294 CZ PHE A 88 3.134 0.883 4.127 1.00 0.00 C ATOM 0 H PHE A 88 7.318 3.166 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 88 6.973 2.769 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.621 1.269 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.683 0.240 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.424 3.034 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.483 -0.902 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.728 2.857 4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.773 -1.078 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.374 0.810 4.891 1.00 0.00 H new ATOM 1304 N TRP A 89 9.320 1.960 2.108 1.00 0.00 N ATOM 1305 CA TRP A 89 10.697 1.494 2.091 1.00 0.00 C ATOM 1306 C TRP A 89 10.836 0.280 2.983 1.00 0.00 C ATOM 1307 O TRP A 89 10.199 0.200 4.034 1.00 0.00 O ATOM 1308 CB TRP A 89 11.660 2.597 2.541 1.00 0.00 C ATOM 1309 CG TRP A 89 11.418 3.915 1.868 1.00 0.00 C ATOM 1310 CD1 TRP A 89 11.383 5.145 2.461 1.00 0.00 C ATOM 1311 CD2 TRP A 89 11.193 4.137 0.471 1.00 0.00 C ATOM 1312 NE1 TRP A 89 11.141 6.117 1.520 1.00 0.00 N ATOM 1313 CE2 TRP A 89 11.022 5.524 0.291 1.00 0.00 C ATOM 1314 CE3 TRP A 89 11.115 3.299 -0.645 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 10.779 6.088 -0.960 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 10.873 3.861 -1.885 1.00 0.00 C ATOM 1317 CH2 TRP A 89 10.709 5.243 -2.033 1.00 0.00 C ATOM 0 H TRP A 89 9.030 2.395 2.984 1.00 0.00 H new ATOM 0 HA TRP A 89 10.956 1.222 1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.572 2.727 3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.683 2.279 2.341 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.525 5.327 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 89 11.063 7.117 1.706 1.00 0.00 H new ATOM 0 HE3 TRP A 89 11.242 2.232 -0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 10.651 7.154 -1.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 10.809 3.223 -2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 89 10.523 5.651 -3.016 1.00 0.00 H new ATOM 1328 N VAL A 90 11.651 -0.676 2.566 1.00 0.00 N ATOM 1329 CA VAL A 90 11.819 -1.881 3.349 1.00 0.00 C ATOM 1330 C VAL A 90 12.887 -1.680 4.401 1.00 0.00 C ATOM 1331 O VAL A 90 14.080 -1.625 4.104 1.00 0.00 O ATOM 1332 CB VAL A 90 12.203 -3.089 2.478 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.298 -4.342 3.333 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.202 -3.274 1.350 1.00 0.00 C ATOM 0 H VAL A 90 12.196 -0.640 1.705 1.00 0.00 H new ATOM 0 HA VAL A 90 10.858 -2.087 3.820 1.00 0.00 H new ATOM 0 HB VAL A 90 13.180 -2.903 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.570 -5.191 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.057 -4.201 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.335 -4.534 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.491 -4.133 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.209 -3.442 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.187 -2.380 0.727 1.00 0.00 H new ATOM 1344 N ASP A 91 12.436 -1.582 5.639 1.00 0.00 N ATOM 1345 CA ASP A 91 13.321 -1.398 6.768 1.00 0.00 C ATOM 1346 C ASP A 91 13.747 -2.757 7.303 1.00 0.00 C ATOM 1347 O ASP A 91 14.925 -3.110 7.267 1.00 0.00 O ATOM 1348 CB ASP A 91 12.608 -0.577 7.844 1.00 0.00 C ATOM 1349 CG ASP A 91 13.574 0.056 8.826 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.569 -0.605 9.189 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.336 1.213 9.231 1.00 0.00 O ATOM 0 H ASP A 91 11.448 -1.628 5.886 1.00 0.00 H new ATOM 0 HA ASP A 91 14.215 -0.856 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.015 0.204 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.913 -1.219 8.385 1.00 0.00 H new ATOM 1356 N ARG A 92 12.761 -3.548 7.713 1.00 0.00 N ATOM 1357 CA ARG A 92 12.996 -4.908 8.182 1.00 0.00 C ATOM 1358 C ARG A 92 14.181 -4.996 9.132 1.00 0.00 C ATOM 1359 O ARG A 92 14.790 -3.990 9.495 1.00 0.00 O ATOM 1360 CB ARG A 92 13.208 -5.838 6.985 1.00 0.00 C ATOM 1361 CG ARG A 92 11.916 -6.200 6.270 1.00 0.00 C ATOM 1362 CD ARG A 92 11.739 -7.706 6.165 1.00 0.00 C ATOM 1363 NE ARG A 92 11.759 -8.351 7.474 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.879 -9.663 7.648 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.991 -10.465 6.598 1.00 0.00 N ATOM 1366 NH2 ARG A 92 11.887 -10.174 8.870 1.00 0.00 N ATOM 0 H ARG A 92 11.781 -3.266 7.729 1.00 0.00 H new ATOM 0 HA ARG A 92 12.114 -5.220 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.885 -5.360 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.695 -6.752 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.070 -5.770 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.917 -5.762 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.795 -7.926 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.532 -8.122 5.544 1.00 0.00 H new ATOM 0 HE ARG A 92 11.676 -7.761 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.985 -10.075 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.083 -11.472 6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.801 -9.560 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.979 -11.181 9.001 1.00 0.00 H new ATOM 1499 N LEU A 103 8.570 -7.509 8.535 1.00 0.00 N ATOM 1500 CA LEU A 103 8.374 -6.393 7.623 1.00 0.00 C ATOM 1501 C LEU A 103 8.315 -5.059 8.359 1.00 0.00 C ATOM 1502 O LEU A 103 7.234 -4.567 8.666 1.00 0.00 O ATOM 1503 CB LEU A 103 7.078 -6.596 6.827 1.00 0.00 C ATOM 1504 CG LEU A 103 7.259 -6.819 5.321 1.00 0.00 C ATOM 1505 CD1 LEU A 103 7.444 -5.492 4.599 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.432 -7.749 5.048 1.00 0.00 C ATOM 0 HA LEU A 103 9.229 -6.365 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.547 -7.452 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.441 -5.724 6.974 1.00 0.00 H new ATOM 0 HG LEU A 103 6.355 -7.293 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.571 -5.673 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.567 -4.865 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.327 -4.986 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.540 -7.892 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.345 -7.310 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.252 -8.712 5.526 1.00 0.00 H new ATOM 1518 N TRP A 104 9.476 -4.443 8.559 1.00 0.00 N ATOM 1519 CA TRP A 104 9.556 -3.132 9.191 1.00 0.00 C ATOM 1520 C TRP A 104 9.673 -2.075 8.100 1.00 0.00 C ATOM 1521 O TRP A 104 10.451 -2.230 7.159 1.00 0.00 O ATOM 1522 CB TRP A 104 10.743 -3.080 10.163 1.00 0.00 C ATOM 1523 CG TRP A 104 11.113 -1.700 10.623 1.00 0.00 C ATOM 1524 CD1 TRP A 104 10.308 -0.597 10.666 1.00 0.00 C ATOM 1525 CD2 TRP A 104 12.387 -1.284 11.133 1.00 0.00 C ATOM 1526 NE1 TRP A 104 11.007 0.479 11.158 1.00 0.00 N ATOM 1527 CE2 TRP A 104 12.285 0.083 11.452 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.607 -1.934 11.341 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 13.354 0.810 11.969 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.668 -1.211 11.855 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.536 0.148 12.164 1.00 0.00 C ATOM 0 H TRP A 104 10.379 -4.834 8.290 1.00 0.00 H new ATOM 0 HA TRP A 104 8.657 -2.938 9.775 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.508 -3.689 11.036 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.610 -3.533 9.682 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.273 -0.574 10.358 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.635 1.420 11.284 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.719 -2.982 11.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.254 1.859 12.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 15.615 -1.703 12.021 1.00 0.00 H new ATOM 0 HH2 TRP A 104 15.384 0.685 12.564 1.00 0.00 H new ATOM 1542 N LEU A 105 8.816 -1.063 8.164 1.00 0.00 N ATOM 1543 CA LEU A 105 8.703 -0.097 7.085 1.00 0.00 C ATOM 1544 C LEU A 105 9.426 1.216 7.317 1.00 0.00 C ATOM 1545 O LEU A 105 9.615 1.668 8.446 1.00 0.00 O ATOM 1546 CB LEU A 105 7.233 0.240 6.862 1.00 0.00 C ATOM 1547 CG LEU A 105 6.336 -0.920 6.461 1.00 0.00 C ATOM 1548 CD1 LEU A 105 6.027 -1.799 7.659 1.00 0.00 C ATOM 1549 CD2 LEU A 105 5.065 -0.382 5.865 1.00 0.00 C ATOM 0 H LEU A 105 8.191 -0.893 8.952 1.00 0.00 H new ATOM 0 HA LEU A 105 9.172 -0.580 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.838 0.678 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.170 1.006 6.089 1.00 0.00 H new ATOM 0 HG LEU A 105 6.853 -1.531 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.384 -2.623 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.956 -2.197 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.519 -1.209 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.419 -1.211 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.552 0.238 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.301 0.218 4.986 1.00 0.00 H new ATOM 1561 N GLY A 106 9.666 1.881 6.196 1.00 0.00 N ATOM 1562 CA GLY A 106 10.198 3.224 6.172 1.00 0.00 C ATOM 1563 C GLY A 106 9.500 4.023 5.083 1.00 0.00 C ATOM 1564 O GLY A 106 9.648 3.717 3.901 1.00 0.00 O ATOM 0 H GLY A 106 9.492 1.493 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.052 3.703 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.272 3.199 5.988 1.00 0.00 H new ATOM 1568 N ARG A 107 8.672 4.990 5.468 1.00 0.00 N ATOM 1569 CA ARG A 107 7.890 5.743 4.490 1.00 0.00 C ATOM 1570 C ARG A 107 8.547 7.071 4.141 1.00 0.00 C ATOM 1571 O ARG A 107 9.350 7.611 4.903 1.00 0.00 O ATOM 1572 CB ARG A 107 6.473 6.012 5.007 1.00 0.00 C ATOM 1573 CG ARG A 107 5.511 4.857 4.781 1.00 0.00 C ATOM 1574 CD ARG A 107 4.382 5.239 3.826 1.00 0.00 C ATOM 1575 NE ARG A 107 3.234 5.812 4.533 1.00 0.00 N ATOM 1576 CZ ARG A 107 2.981 7.119 4.644 1.00 0.00 C ATOM 1577 NH1 ARG A 107 3.790 8.025 4.103 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.907 7.524 5.307 1.00 0.00 N ATOM 0 H ARG A 107 8.525 5.269 6.438 1.00 0.00 H new ATOM 0 HA ARG A 107 7.842 5.128 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.520 6.230 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.080 6.902 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.056 4.004 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.089 4.543 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.753 5.958 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.062 4.357 3.271 1.00 0.00 H new ATOM 0 HE ARG A 107 2.579 5.165 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.621 7.727 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.580 9.018 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.280 6.839 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.708 8.520 5.396 1.00 0.00 H new ATOM 1592 N GLY A 108 8.199 7.574 2.967 1.00 0.00 N ATOM 1593 CA GLY A 108 8.718 8.841 2.497 1.00 0.00 C ATOM 1594 C GLY A 108 7.830 9.429 1.420 1.00 0.00 C ATOM 1595 O GLY A 108 8.295 9.729 0.321 1.00 0.00 O ATOM 0 H GLY A 108 7.555 7.118 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.793 9.538 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.726 8.702 2.106 1.00 0.00 H new