USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 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 29 GLN : amide:sc= 0.56 K(o=0.56,f=-0.018) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.454 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.319 USER MOD Single : A 37 ASN : amide:sc= 0.706 K(o=0.71,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.204 31.037 -29.385 1.00 0.00 N ATOM 438 CA GLN A 29 -14.221 32.285 -28.618 1.00 0.00 C ATOM 439 C GLN A 29 -14.229 31.976 -27.118 1.00 0.00 C ATOM 440 O GLN A 29 -15.256 31.621 -26.546 1.00 0.00 O ATOM 441 CB GLN A 29 -15.471 33.113 -28.986 1.00 0.00 C ATOM 442 CG GLN A 29 -15.673 33.350 -30.494 1.00 0.00 C ATOM 443 CD GLN A 29 -16.983 32.792 -31.040 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.659 33.408 -31.854 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.340 31.585 -30.669 1.00 0.00 N ATOM 0 HA GLN A 29 -13.327 32.860 -28.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.352 32.607 -28.592 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.408 34.080 -28.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.636 34.421 -30.691 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.843 32.898 -31.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.776 31.072 -29.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.181 31.159 -31.059 1.00 0.00 H new ATOM 454 N ILE A 30 -13.080 32.104 -26.464 1.00 0.00 N ATOM 455 CA ILE A 30 -12.955 31.939 -25.018 1.00 0.00 C ATOM 456 C ILE A 30 -13.216 33.301 -24.367 1.00 0.00 C ATOM 457 O ILE A 30 -12.362 34.191 -24.397 1.00 0.00 O ATOM 458 CB ILE A 30 -11.590 31.331 -24.634 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.316 29.938 -25.245 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.542 31.155 -23.105 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.220 29.821 -26.770 1.00 0.00 C ATOM 0 H ILE A 30 -12.199 32.328 -26.927 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.692 31.226 -24.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.840 32.021 -25.021 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.381 29.568 -24.823 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.106 29.266 -24.909 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.582 30.726 -22.818 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.664 32.125 -22.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.346 30.490 -22.790 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.025 28.784 -27.044 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.159 30.145 -27.220 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.408 30.451 -27.133 1.00 0.00 H new ATOM 473 N ALA A 31 -14.410 33.465 -23.803 1.00 0.00 N ATOM 474 CA ALA A 31 -14.814 34.657 -23.062 1.00 0.00 C ATOM 475 C ALA A 31 -14.675 34.435 -21.552 1.00 0.00 C ATOM 476 O ALA A 31 -14.908 33.335 -21.050 1.00 0.00 O ATOM 477 CB ALA A 31 -16.244 35.036 -23.456 1.00 0.00 C ATOM 0 H ALA A 31 -15.141 32.755 -23.850 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.155 35.487 -23.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.550 35.925 -22.905 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.285 35.240 -24.526 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.917 34.213 -23.218 1.00 0.00 H new ATOM 483 N ARG A 32 -14.322 35.486 -20.814 1.00 0.00 N ATOM 484 CA ARG A 32 -14.261 35.462 -19.344 1.00 0.00 C ATOM 485 C ARG A 32 -15.559 35.962 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.817 -19.293 1.00 0.00 O ATOM 487 CB ARG A 32 -13.023 36.221 -18.837 1.00 0.00 C ATOM 488 CG ARG A 32 -11.808 35.284 -18.785 1.00 0.00 C ATOM 489 CD ARG A 32 -10.495 36.039 -18.560 1.00 0.00 C ATOM 490 NE ARG A 32 -10.327 36.488 -17.160 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.468 36.027 -16.268 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.678 35.015 -16.501 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.387 36.591 -15.102 1.00 0.00 N ATOM 0 H ARG A 32 -14.067 36.388 -21.217 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.152 34.427 -19.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.812 37.065 -19.493 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.219 36.629 -17.845 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.947 34.557 -17.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.746 34.723 -19.717 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.659 35.395 -18.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.460 36.905 -19.221 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.944 37.238 -16.848 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.707 34.543 -17.405 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.031 34.696 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.985 37.386 -14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.726 36.239 -14.410 1.00 0.00 H new ATOM 507 N TYR A 33 -15.859 35.466 -17.523 1.00 0.00 N ATOM 508 CA TYR A 33 -16.984 35.909 -16.699 1.00 0.00 C ATOM 509 C TYR A 33 -16.604 35.975 -15.212 1.00 0.00 C ATOM 510 O TYR A 33 -15.887 35.108 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.193 34.989 -16.885 1.00 0.00 C ATOM 512 CG TYR A 33 -18.767 34.910 -18.282 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.165 34.107 -19.270 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.942 35.620 -18.575 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.760 33.995 -20.541 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.530 35.522 -19.843 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.965 34.675 -20.813 1.00 0.00 C ATOM 518 OH TYR A 33 -20.624 34.481 -21.979 1.00 0.00 O ATOM 0 H TYR A 33 -15.312 34.725 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.248 36.914 -17.030 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.909 33.984 -16.575 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.982 35.320 -16.209 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.249 33.578 -19.053 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.395 36.245 -17.819 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.295 33.390 -21.305 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.415 36.096 -20.075 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.278 35.199 -22.108 1.00 0.00 H new ATOM 528 N ARG A 34 -17.100 36.999 -14.507 1.00 0.00 N ATOM 529 CA ARG A 34 -16.812 37.313 -13.098 1.00 0.00 C ATOM 530 C ARG A 34 -18.020 37.014 -12.213 1.00 0.00 C ATOM 531 O ARG A 34 -19.109 37.527 -12.468 1.00 0.00 O ATOM 532 CB ARG A 34 -16.393 38.792 -13.001 1.00 0.00 C ATOM 533 CG ARG A 34 -15.898 39.181 -11.600 1.00 0.00 C ATOM 534 CD ARG A 34 -15.339 40.606 -11.621 1.00 0.00 C ATOM 535 NE ARG A 34 -14.905 41.042 -10.279 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.674 41.090 -9.797 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.618 40.748 -10.478 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.475 41.506 -8.578 1.00 0.00 N ATOM 0 H ARG A 34 -17.748 37.668 -14.924 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.997 36.684 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.605 38.990 -13.727 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.240 39.423 -13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.717 39.113 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.128 38.484 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.496 40.656 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.100 41.290 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.645 41.343 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.715 40.421 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.694 40.807 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.266 41.792 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.528 41.545 -8.201 1.00 0.00 H new ATOM 552 N THR A 35 -17.826 36.196 -11.184 1.00 0.00 N ATOM 553 CA THR A 35 -18.861 35.783 -10.220 1.00 0.00 C ATOM 554 C THR A 35 -19.141 36.887 -9.196 1.00 0.00 C ATOM 555 O THR A 35 -18.480 37.928 -9.167 1.00 0.00 O ATOM 556 CB THR A 35 -18.492 34.483 -9.488 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.316 34.662 -8.760 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.318 33.306 -10.437 1.00 0.00 C ATOM 0 H THR A 35 -16.915 35.783 -10.984 1.00 0.00 H new ATOM 0 HA THR A 35 -19.763 35.599 -10.803 1.00 0.00 H new ATOM 0 HB THR A 35 -19.321 34.251 -8.820 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.563 34.773 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.058 32.414 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.249 33.133 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.522 33.527 -11.148 1.00 0.00 H new ATOM 566 N ASP A 36 -20.096 36.645 -8.299 1.00 0.00 N ATOM 567 CA ASP A 36 -20.489 37.618 -7.270 1.00 0.00 C ATOM 568 C ASP A 36 -19.508 37.654 -6.080 1.00 0.00 C ATOM 569 O ASP A 36 -19.542 38.566 -5.253 1.00 0.00 O ATOM 570 CB ASP A 36 -21.933 37.315 -6.835 1.00 0.00 C ATOM 571 CG ASP A 36 -22.522 38.406 -5.924 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.686 39.561 -6.388 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.862 38.105 -4.754 1.00 0.00 O ATOM 0 H ASP A 36 -20.621 35.771 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.446 38.621 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.560 37.210 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.957 36.359 -6.312 1.00 0.00 H new ATOM 578 N ASN A 37 -18.591 36.683 -6.030 1.00 0.00 N ATOM 579 CA ASN A 37 -17.518 36.554 -5.051 1.00 0.00 C ATOM 580 C ASN A 37 -16.166 37.073 -5.615 1.00 0.00 C ATOM 581 O ASN A 37 -15.104 36.834 -5.037 1.00 0.00 O ATOM 582 CB ASN A 37 -17.561 35.080 -4.617 1.00 0.00 C ATOM 583 CG ASN A 37 -16.627 34.723 -3.478 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.515 35.415 -2.475 1.00 0.00 O ATOM 585 ND2 ASN A 37 -15.979 33.589 -3.578 1.00 0.00 N ATOM 0 H ASN A 37 -18.581 35.925 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.642 37.183 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.581 34.833 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.317 34.456 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.376 33.277 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.077 33.018 -4.417 1.00 0.00 H new ATOM 592 N GLY A 38 -16.203 37.773 -6.761 1.00 0.00 N ATOM 593 CA GLY A 38 -15.045 38.321 -7.489 1.00 0.00 C ATOM 594 C GLY A 38 -14.300 37.321 -8.365 1.00 0.00 C ATOM 595 O GLY A 38 -13.281 37.663 -8.965 1.00 0.00 O ATOM 0 H GLY A 38 -17.085 37.983 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.386 39.145 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.345 38.739 -6.765 1.00 0.00 H new ATOM 599 N GLU A 39 -14.768 36.078 -8.411 1.00 0.00 N ATOM 600 CA GLU A 39 -14.023 34.962 -8.991 1.00 0.00 C ATOM 601 C GLU A 39 -14.229 34.928 -10.503 1.00 0.00 C ATOM 602 O GLU A 39 -15.358 34.799 -10.974 1.00 0.00 O ATOM 603 CB GLU A 39 -14.387 33.620 -8.332 1.00 0.00 C ATOM 604 CG GLU A 39 -14.645 33.726 -6.826 1.00 0.00 C ATOM 605 CD GLU A 39 -14.233 32.439 -6.089 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.022 32.106 -6.054 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.116 31.780 -5.496 1.00 0.00 O ATOM 0 H GLU A 39 -15.682 35.813 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.963 35.120 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.276 33.216 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.579 32.909 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.091 34.572 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.702 33.924 -6.650 1.00 0.00 H new ATOM 614 N GLU A 40 -13.148 35.042 -11.265 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 35.082 -12.732 1.00 0.00 C ATOM 616 C GLU A 40 -12.801 33.739 -13.353 1.00 0.00 C ATOM 617 O GLU A 40 -11.738 33.185 -13.056 1.00 0.00 O ATOM 618 CB GLU A 40 -12.303 36.194 -13.292 1.00 0.00 C ATOM 619 CG GLU A 40 -12.929 37.574 -13.094 1.00 0.00 C ATOM 620 CD GLU A 40 -12.057 38.723 -13.627 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.285 38.523 -14.597 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.159 39.841 -13.066 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.110 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.238 35.292 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.331 36.160 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.128 36.022 -14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.897 37.601 -13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.115 37.731 -12.032 1.00 0.00 H new ATOM 629 N PHE A 41 -13.663 33.242 -14.243 1.00 0.00 N ATOM 630 CA PHE A 41 -13.502 31.985 -14.977 1.00 0.00 C ATOM 631 C PHE A 41 -13.633 32.197 -16.488 1.00 0.00 C ATOM 632 O PHE A 41 -14.200 33.187 -16.952 1.00 0.00 O ATOM 633 CB PHE A 41 -14.544 30.966 -14.505 1.00 0.00 C ATOM 634 CG PHE A 41 -14.402 30.543 -13.055 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.988 31.293 -12.016 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.656 29.390 -12.740 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.816 30.889 -10.686 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.471 29.001 -11.402 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.050 29.755 -10.371 1.00 0.00 C ATOM 0 H PHE A 41 -14.529 33.725 -14.482 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.500 31.606 -14.774 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.538 31.388 -14.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.478 30.080 -15.136 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.567 32.176 -12.244 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.222 28.800 -13.534 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.279 31.457 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.885 28.124 -11.169 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.908 29.465 -9.340 1.00 0.00 H new ATOM 649 N GLU A 42 -13.124 31.239 -17.254 1.00 0.00 N ATOM 650 CA GLU A 42 -13.071 31.259 -18.715 1.00 0.00 C ATOM 651 C GLU A 42 -14.033 30.224 -19.321 1.00 0.00 C ATOM 652 O GLU A 42 -14.049 29.058 -18.914 1.00 0.00 O ATOM 653 CB GLU A 42 -11.636 31.019 -19.231 1.00 0.00 C ATOM 654 CG GLU A 42 -10.509 31.715 -18.446 1.00 0.00 C ATOM 655 CD GLU A 42 -9.839 30.771 -17.420 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.515 30.292 -16.477 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.618 30.510 -17.548 1.00 0.00 O ATOM 0 H GLU A 42 -12.719 30.390 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.387 32.252 -19.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.445 29.946 -19.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.585 31.348 -20.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.757 32.082 -19.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.914 32.584 -17.927 1.00 0.00 H new ATOM 664 N VAL A 43 -14.820 30.645 -20.314 1.00 0.00 N ATOM 665 CA VAL A 43 -15.831 29.830 -21.008 1.00 0.00 C ATOM 666 C VAL A 43 -15.568 29.813 -22.526 1.00 0.00 C ATOM 667 O VAL A 43 -15.764 30.835 -23.190 1.00 0.00 O ATOM 668 CB VAL A 43 -17.254 30.344 -20.717 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.306 29.418 -21.339 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.547 30.470 -19.216 1.00 0.00 C ATOM 0 H VAL A 43 -14.772 31.598 -20.673 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.754 28.811 -20.630 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.308 31.337 -21.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.303 29.801 -21.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.162 29.377 -22.419 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.202 28.417 -20.921 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.564 30.836 -19.073 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.443 29.494 -18.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.843 31.169 -18.765 1.00 0.00 H new ATOM 680 N PRO A 44 -15.141 28.673 -23.101 1.00 0.00 N ATOM 681 CA PRO A 44 -15.043 28.472 -24.544 1.00 0.00 C ATOM 682 C PRO A 44 -16.414 28.347 -25.228 1.00 0.00 C ATOM 683 O PRO A 44 -17.257 27.533 -24.843 1.00 0.00 O ATOM 684 CB PRO A 44 -14.194 27.210 -24.748 1.00 0.00 C ATOM 685 CG PRO A 44 -13.476 27.014 -23.414 1.00 0.00 C ATOM 686 CD PRO A 44 -14.464 27.593 -22.408 1.00 0.00 C ATOM 0 HA PRO A 44 -14.582 29.343 -25.010 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.815 26.349 -24.995 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.485 27.336 -25.566 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.269 25.962 -23.217 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.520 27.537 -23.389 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.174 26.835 -22.075 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.949 27.959 -21.520 1.00 0.00 H new ATOM 694 N PHE A 45 -16.592 29.122 -26.293 1.00 0.00 N ATOM 695 CA PHE A 45 -17.725 29.099 -27.229 1.00 0.00 C ATOM 696 C PHE A 45 -17.272 28.741 -28.649 1.00 0.00 C ATOM 697 O PHE A 45 -16.244 29.226 -29.113 1.00 0.00 O ATOM 698 CB PHE A 45 -18.408 30.474 -27.240 1.00 0.00 C ATOM 699 CG PHE A 45 -19.221 30.768 -25.995 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.603 31.351 -24.871 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.595 30.461 -25.957 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.360 31.629 -23.723 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.348 30.735 -24.800 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.726 31.315 -23.680 1.00 0.00 C ATOM 0 H PHE A 45 -15.906 29.833 -26.547 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.426 28.334 -26.894 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.647 31.246 -27.355 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.060 30.537 -28.111 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.549 31.583 -24.893 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.072 30.015 -26.817 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.888 32.088 -22.867 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.402 30.500 -24.772 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.300 31.518 -22.788 1.00 0.00 H new ATOM 714 N ALA A 46 -18.065 27.969 -29.384 1.00 0.00 N ATOM 715 CA ALA A 46 -17.825 27.658 -30.799 1.00 0.00 C ATOM 716 C ALA A 46 -18.396 28.754 -31.719 1.00 0.00 C ATOM 717 O ALA A 46 -19.249 29.533 -31.299 1.00 0.00 O ATOM 718 CB ALA A 46 -18.423 26.279 -31.103 1.00 0.00 C ATOM 0 H ALA A 46 -18.908 27.532 -29.012 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.753 27.630 -30.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.254 26.032 -32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.947 25.529 -30.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.494 26.295 -30.903 1.00 0.00 H new ATOM 724 N ASP A 47 -17.975 28.806 -32.986 1.00 0.00 N ATOM 725 CA ASP A 47 -18.488 29.763 -33.988 1.00 0.00 C ATOM 726 C ASP A 47 -20.008 29.623 -34.250 1.00 0.00 C ATOM 727 O ASP A 47 -20.660 30.561 -34.710 1.00 0.00 O ATOM 728 CB ASP A 47 -17.696 29.584 -35.292 1.00 0.00 C ATOM 729 CG ASP A 47 -18.148 30.547 -36.403 1.00 0.00 C ATOM 730 OD1 ASP A 47 -18.022 31.780 -36.214 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.597 30.073 -37.475 1.00 0.00 O ATOM 0 H ASP A 47 -17.260 28.180 -33.356 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.349 30.768 -33.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.636 29.740 -35.092 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.807 28.557 -35.641 1.00 0.00 H new ATOM 736 N ASP A 48 -20.593 28.470 -33.907 1.00 0.00 N ATOM 737 CA ASP A 48 -22.044 28.219 -33.953 1.00 0.00 C ATOM 738 C ASP A 48 -22.825 28.965 -32.843 1.00 0.00 C ATOM 739 O ASP A 48 -24.056 29.034 -32.882 1.00 0.00 O ATOM 740 CB ASP A 48 -22.256 26.702 -33.858 1.00 0.00 C ATOM 741 CG ASP A 48 -23.709 26.278 -34.144 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.196 26.503 -35.279 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.353 25.673 -33.252 1.00 0.00 O ATOM 0 H ASP A 48 -20.060 27.663 -33.581 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.441 28.609 -34.891 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.592 26.203 -34.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.974 26.363 -32.861 1.00 0.00 H new ATOM 748 N ALA A 49 -22.114 29.547 -31.871 1.00 0.00 N ATOM 749 CA ALA A 49 -22.641 30.333 -30.753 1.00 0.00 C ATOM 750 C ALA A 49 -22.019 31.744 -30.678 1.00 0.00 C ATOM 751 O ALA A 49 -20.935 32.005 -31.205 1.00 0.00 O ATOM 752 CB ALA A 49 -22.405 29.541 -29.460 1.00 0.00 C ATOM 0 H ALA A 49 -21.097 29.477 -31.843 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.709 30.495 -30.902 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.790 30.107 -28.611 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.921 28.583 -29.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.337 29.370 -29.328 1.00 0.00 H new ATOM 758 N GLU A 50 -22.694 32.659 -29.977 1.00 0.00 N ATOM 759 CA GLU A 50 -22.197 34.005 -29.648 1.00 0.00 C ATOM 760 C GLU A 50 -22.382 34.304 -28.155 1.00 0.00 C ATOM 761 O GLU A 50 -23.413 33.970 -27.570 1.00 0.00 O ATOM 762 CB GLU A 50 -22.896 35.081 -30.494 1.00 0.00 C ATOM 763 CG GLU A 50 -22.381 35.101 -31.937 1.00 0.00 C ATOM 764 CD GLU A 50 -23.142 36.140 -32.782 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.711 37.319 -32.835 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.175 35.791 -33.404 1.00 0.00 O ATOM 0 H GLU A 50 -23.629 32.482 -29.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.132 34.028 -29.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.971 34.900 -30.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.738 36.059 -30.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.316 35.332 -31.943 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.495 34.112 -32.381 1.00 0.00 H new ATOM 773 N ILE A 51 -21.371 34.947 -27.563 1.00 0.00 N ATOM 774 CA ILE A 51 -21.212 35.253 -26.134 1.00 0.00 C ATOM 775 C ILE A 51 -22.437 36.004 -25.581 1.00 0.00 C ATOM 776 O ILE A 51 -22.653 37.175 -25.920 1.00 0.00 O ATOM 777 CB ILE A 51 -19.933 36.085 -25.865 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.696 35.617 -26.671 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.608 36.102 -24.359 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.231 34.183 -26.409 1.00 0.00 C ATOM 0 H ILE A 51 -20.582 35.294 -28.109 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.120 34.296 -25.619 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.157 37.094 -26.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.919 35.718 -27.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.868 36.292 -26.454 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.707 36.691 -24.188 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.440 36.545 -23.812 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.447 35.082 -24.010 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.360 33.964 -27.027 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.967 34.072 -25.357 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.034 33.489 -26.656 1.00 0.00 H new ATOM 792 N PRO A 52 -23.244 35.359 -24.727 1.00 0.00 N ATOM 793 CA PRO A 52 -24.293 36.021 -23.972 1.00 0.00 C ATOM 794 C PRO A 52 -23.688 36.901 -22.867 1.00 0.00 C ATOM 795 O PRO A 52 -22.627 36.592 -22.318 1.00 0.00 O ATOM 796 CB PRO A 52 -25.156 34.887 -23.423 1.00 0.00 C ATOM 797 CG PRO A 52 -24.178 33.724 -23.271 1.00 0.00 C ATOM 798 CD PRO A 52 -23.137 33.959 -24.358 1.00 0.00 C ATOM 0 HA PRO A 52 -24.891 36.701 -24.579 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.609 35.156 -22.469 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.970 34.638 -24.104 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.723 33.715 -22.281 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.679 32.764 -23.401 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.136 33.728 -23.994 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.320 33.315 -25.218 1.00 0.00 H new ATOM 806 N GLY A 53 -24.381 37.990 -22.521 1.00 0.00 N ATOM 807 CA GLY A 53 -23.979 38.971 -21.498 1.00 0.00 C ATOM 808 C GLY A 53 -23.572 38.373 -20.143 1.00 0.00 C ATOM 809 O GLY A 53 -22.718 38.933 -19.451 1.00 0.00 O ATOM 0 H GLY A 53 -25.271 38.225 -22.960 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.144 39.554 -21.885 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.805 39.664 -21.338 1.00 0.00 H new ATOM 813 N THR A 54 -24.143 37.224 -19.764 1.00 0.00 N ATOM 814 CA THR A 54 -23.728 36.450 -18.587 1.00 0.00 C ATOM 815 C THR A 54 -23.738 34.932 -18.851 1.00 0.00 C ATOM 816 O THR A 54 -24.396 34.455 -19.780 1.00 0.00 O ATOM 817 CB THR A 54 -24.661 36.722 -17.387 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.993 36.360 -17.699 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.751 38.193 -16.987 1.00 0.00 C ATOM 0 H THR A 54 -24.918 36.799 -20.273 1.00 0.00 H new ATOM 0 HA THR A 54 -22.711 36.771 -18.364 1.00 0.00 H new ATOM 0 HB THR A 54 -24.225 36.137 -16.577 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.570 36.538 -16.927 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.426 38.298 -16.137 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.761 38.556 -16.712 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.131 38.776 -17.826 1.00 0.00 H new ATOM 827 N TRP A 55 -23.004 34.163 -18.035 1.00 0.00 N ATOM 828 CA TRP A 55 -22.865 32.701 -18.133 1.00 0.00 C ATOM 829 C TRP A 55 -22.450 32.069 -16.790 1.00 0.00 C ATOM 830 O TRP A 55 -21.740 32.688 -15.998 1.00 0.00 O ATOM 831 CB TRP A 55 -21.837 32.351 -19.215 1.00 0.00 C ATOM 832 CG TRP A 55 -21.806 30.910 -19.617 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.018 29.961 -19.071 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.583 30.225 -20.644 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.214 28.756 -19.711 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.182 28.855 -20.687 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.579 30.631 -21.554 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.737 27.938 -21.594 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.152 29.719 -22.464 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.731 28.376 -22.487 1.00 0.00 C ATOM 0 H TRP A 55 -22.470 34.555 -17.259 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.839 32.292 -18.401 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.043 32.955 -20.099 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.847 32.634 -18.859 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.333 30.122 -18.252 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.707 27.899 -19.490 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.910 31.659 -21.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.405 26.910 -21.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.919 30.053 -23.148 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.171 27.683 -23.189 1.00 0.00 H new ATOM 851 N LEU A 56 -22.884 30.837 -16.504 1.00 0.00 N ATOM 852 CA LEU A 56 -22.572 30.132 -15.251 1.00 0.00 C ATOM 853 C LEU A 56 -21.083 29.731 -15.169 1.00 0.00 C ATOM 854 O LEU A 56 -20.556 29.052 -16.052 1.00 0.00 O ATOM 855 CB LEU A 56 -23.508 28.915 -15.109 1.00 0.00 C ATOM 856 CG LEU A 56 -24.171 28.791 -13.726 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.252 27.711 -13.758 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.167 28.413 -12.642 1.00 0.00 C ATOM 0 H LEU A 56 -23.468 30.294 -17.140 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.808 -14.413 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.287 28.978 -15.869 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.939 28.007 -15.310 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.597 29.767 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.715 27.631 -12.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.010 27.976 -14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.803 26.755 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.679 28.337 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.711 27.454 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.393 29.178 -12.580 1.00 0.00 H new ATOM 870 N CYS A 57 -20.413 30.129 -14.089 1.00 0.00 N ATOM 871 CA CYS A 57 -18.991 29.865 -13.845 1.00 0.00 C ATOM 872 C CYS A 57 -18.755 28.581 -13.034 1.00 0.00 C ATOM 873 O CYS A 57 -19.651 28.086 -12.345 1.00 0.00 O ATOM 874 CB CYS A 57 -18.374 31.071 -13.130 1.00 0.00 C ATOM 875 SG CYS A 57 -18.219 32.460 -14.277 1.00 0.00 S ATOM 0 H CYS A 57 -20.854 30.659 -13.337 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.509 29.711 -14.811 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.995 31.358 -12.281 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.394 30.806 -12.733 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.697 33.477 -13.659 1.00 0.00 H new ATOM 881 N ARG A 58 -17.510 28.079 -13.042 1.00 0.00 N ATOM 882 CA ARG A 58 -17.130 26.818 -12.372 1.00 0.00 C ATOM 883 C ARG A 58 -17.181 26.875 -10.835 1.00 0.00 C ATOM 884 O ARG A 58 -17.221 25.826 -10.194 1.00 0.00 O ATOM 885 CB ARG A 58 -15.752 26.326 -12.854 1.00 0.00 C ATOM 886 CG ARG A 58 -15.631 26.204 -14.385 1.00 0.00 C ATOM 887 CD ARG A 58 -14.276 25.625 -14.821 1.00 0.00 C ATOM 888 NE ARG A 58 -14.088 24.224 -14.387 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.523 23.130 -14.990 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.214 23.168 -16.096 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.271 21.957 -14.484 1.00 0.00 N ATOM 0 H ARG A 58 -16.731 28.537 -13.516 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.893 26.097 -12.666 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.986 27.012 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.547 25.354 -12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.433 25.568 -14.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.766 27.187 -14.837 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.195 25.679 -15.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.474 26.239 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.563 24.085 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.437 24.065 -16.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.531 22.301 -16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.736 21.879 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.609 21.116 -14.953 1.00 0.00 H new ATOM 905 N ASN A 59 -17.250 28.074 -10.240 1.00 0.00 N ATOM 906 CA ASN A 59 -17.536 28.248 -8.805 1.00 0.00 C ATOM 907 C ASN A 59 -18.995 27.860 -8.434 1.00 0.00 C ATOM 908 O ASN A 59 -19.317 27.602 -7.274 1.00 0.00 O ATOM 909 CB ASN A 59 -17.246 29.718 -8.451 1.00 0.00 C ATOM 910 CG ASN A 59 -17.482 30.115 -6.999 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.379 29.330 -6.066 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.771 31.376 -6.763 1.00 0.00 N ATOM 0 H ASN A 59 -17.109 28.953 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.900 27.577 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.207 29.933 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.865 30.353 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.909 31.697 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.858 32.033 -7.538 1.00 0.00 H new ATOM 919 N GLY A 60 -19.877 27.773 -9.432 1.00 0.00 N ATOM 920 CA GLY A 60 -21.311 27.482 -9.284 1.00 0.00 C ATOM 921 C GLY A 60 -22.190 28.734 -9.156 1.00 0.00 C ATOM 922 O GLY A 60 -23.362 28.628 -8.791 1.00 0.00 O ATOM 0 H GLY A 60 -19.604 27.908 -10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.645 26.902 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.456 26.857 -8.403 1.00 0.00 H new ATOM 926 N MET A 61 -21.634 29.915 -9.453 1.00 0.00 N ATOM 927 CA MET A 61 -22.319 31.209 -9.479 1.00 0.00 C ATOM 928 C MET A 61 -22.462 31.732 -10.915 1.00 0.00 C ATOM 929 O MET A 61 -21.598 31.499 -11.763 1.00 0.00 O ATOM 930 CB MET A 61 -21.549 32.187 -8.576 1.00 0.00 C ATOM 931 CG MET A 61 -22.279 33.512 -8.313 1.00 0.00 C ATOM 932 SD MET A 61 -23.973 33.394 -7.668 1.00 0.00 S ATOM 933 CE MET A 61 -23.643 32.780 -5.993 1.00 0.00 C ATOM 0 H MET A 61 -20.646 29.996 -9.693 1.00 0.00 H new ATOM 0 HA MET A 61 -23.334 31.101 -9.096 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.348 31.701 -7.621 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.583 32.402 -9.033 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.686 34.093 -7.607 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.308 34.076 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.585 32.653 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.127 31.822 -6.052 1.00 0.00 H new ATOM 0 HE3 MET A 61 -23.018 33.496 -5.459 1.00 0.00 H new ATOM 943 N GLU A 62 -23.534 32.471 -11.192 1.00 0.00 N ATOM 944 CA GLU A 62 -23.733 33.165 -12.469 1.00 0.00 C ATOM 945 C GLU A 62 -22.702 34.296 -12.621 1.00 0.00 C ATOM 946 O GLU A 62 -22.744 35.299 -11.903 1.00 0.00 O ATOM 947 CB GLU A 62 -25.172 33.694 -12.580 1.00 0.00 C ATOM 948 CG GLU A 62 -26.197 32.557 -12.690 1.00 0.00 C ATOM 949 CD GLU A 62 -27.627 33.113 -12.834 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.301 33.345 -11.800 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.093 33.313 -13.981 1.00 0.00 O ATOM 0 H GLU A 62 -24.299 32.608 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.581 32.458 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.402 34.306 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.254 34.341 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.959 31.930 -13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.137 31.922 -11.806 1.00 0.00 H new ATOM 958 N GLY A 63 -21.755 34.117 -13.541 1.00 0.00 N ATOM 959 CA GLY A 63 -20.734 35.101 -13.882 1.00 0.00 C ATOM 960 C GLY A 63 -21.215 36.107 -14.930 1.00 0.00 C ATOM 961 O GLY A 63 -21.978 35.758 -15.831 1.00 0.00 O ATOM 0 H GLY A 63 -21.677 33.257 -14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.434 35.636 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.849 34.586 -14.257 1.00 0.00 H new ATOM 965 N THR A 64 -20.719 37.342 -14.868 1.00 0.00 N ATOM 966 CA THR A 64 -20.988 38.385 -15.876 1.00 0.00 C ATOM 967 C THR A 64 -19.769 38.638 -16.754 1.00 0.00 C ATOM 968 O THR A 64 -18.646 38.651 -16.258 1.00 0.00 O ATOM 969 CB THR A 64 -21.439 39.698 -15.220 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.578 39.468 -14.415 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.813 40.783 -16.237 1.00 0.00 C ATOM 0 H THR A 64 -20.112 37.657 -14.111 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.015 -16.504 1.00 0.00 H new ATOM 0 HB THR A 64 -20.589 40.047 -14.634 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.859 40.309 -13.998 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.123 41.685 -15.709 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.950 41.007 -16.864 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.633 40.429 -16.862 1.00 0.00 H new ATOM 979 N LEU A 65 -19.989 38.821 -18.058 1.00 0.00 N ATOM 980 CA LEU A 65 -18.950 38.964 -19.081 1.00 0.00 C ATOM 981 C LEU A 65 -18.051 40.187 -18.789 1.00 0.00 C ATOM 982 O LEU A 65 -18.540 41.318 -18.716 1.00 0.00 O ATOM 983 CB LEU A 65 -19.692 39.036 -20.432 1.00 0.00 C ATOM 984 CG LEU A 65 -18.894 38.889 -21.742 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.826 39.249 -22.903 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.645 39.759 -21.869 1.00 0.00 C ATOM 0 H LEU A 65 -20.931 38.876 -18.445 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.258 38.122 -19.094 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.458 38.260 -20.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.210 39.994 -20.470 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.540 37.858 -21.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.287 39.154 -23.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.682 38.574 -22.905 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.173 40.276 -22.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.166 39.570 -22.830 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.926 40.810 -21.803 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.950 39.518 -21.064 1.00 0.00 H new