USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 329 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 33 ASN : amide:sc= 0.0109 X(o=0.023,f=0.15) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.0125 USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -165:sc= -2.09 (180deg=-3.79!) USER MOD Set 3.1: A 42 ASN : amide:sc= 0.944 K(o=2.1,f=-4.4) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 174:sc= 1.11 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 44 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 46 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.24) USER MOD Single : A 57 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 58 MET CE :methyl 169:sc= 0 (180deg=-0.103) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0.987 (180deg=0.959) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.959 -12.321 16.502 1.00 10.00 N ATOM 462 CA LEU A 32 49.283 -12.921 15.353 1.00 10.00 C ATOM 463 C LEU A 32 50.298 -13.270 14.253 1.00 10.00 C ATOM 464 O LEU A 32 50.183 -14.296 13.588 1.00 10.00 O ATOM 465 CB LEU A 32 48.259 -11.878 14.854 1.00 10.00 C ATOM 466 CG LEU A 32 46.933 -12.423 14.292 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.162 -11.243 13.693 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.104 -13.515 13.237 1.00 10.00 C ATOM 0 HA LEU A 32 48.785 -13.851 15.627 1.00 10.00 H new ATOM 0 HB2 LEU A 32 48.027 -11.206 15.681 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.735 -11.277 14.079 1.00 10.00 H new ATOM 0 HG LEU A 32 46.394 -12.893 15.114 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.215 -11.597 13.285 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.969 -10.503 14.469 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.753 -10.789 12.897 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.124 -13.845 12.893 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.671 -13.121 12.394 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.639 -14.360 13.671 1.00 10.00 H new ATOM 480 N ASN A 33 51.344 -12.453 14.106 1.00 10.00 N ATOM 481 CA ASN A 33 52.449 -12.720 13.181 1.00 10.00 C ATOM 482 C ASN A 33 53.212 -14.003 13.564 1.00 10.00 C ATOM 483 O ASN A 33 53.551 -14.797 12.691 1.00 10.00 O ATOM 484 CB ASN A 33 53.366 -11.486 13.113 1.00 10.00 C ATOM 485 CG ASN A 33 54.461 -11.638 12.067 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.569 -12.063 12.358 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.201 -11.299 10.824 1.00 10.00 N ATOM 0 H ASN A 33 51.449 -11.583 14.628 1.00 10.00 H new ATOM 0 HA ASN A 33 52.047 -12.901 12.184 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.768 -10.604 12.884 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.820 -11.319 14.090 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.922 -11.391 10.109 1.00 10.00 H new ATOM 0 HD22 ASN A 33 53.278 -10.944 10.575 1.00 10.00 H new ATOM 494 N LYS A 34 53.397 -14.258 14.867 1.00 10.00 N ATOM 495 CA LYS A 34 53.962 -15.507 15.406 1.00 10.00 C ATOM 496 C LYS A 34 53.053 -16.713 15.153 1.00 10.00 C ATOM 497 O LYS A 34 53.536 -17.764 14.739 1.00 10.00 O ATOM 498 CB LYS A 34 54.273 -15.320 16.903 1.00 10.00 C ATOM 499 CG LYS A 34 55.035 -16.521 17.494 1.00 10.00 C ATOM 500 CD LYS A 34 55.443 -16.323 18.961 1.00 10.00 C ATOM 501 CE LYS A 34 54.224 -16.197 19.888 1.00 10.00 C ATOM 502 NZ LYS A 34 54.621 -16.159 21.320 1.00 10.00 N ATOM 0 H LYS A 34 53.152 -13.586 15.594 1.00 10.00 H new ATOM 0 HA LYS A 34 54.891 -15.725 14.878 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.864 -14.414 17.039 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.341 -15.178 17.451 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.412 -17.412 17.415 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.929 -16.704 16.898 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.057 -17.164 19.283 1.00 10.00 H new ATOM 0 HD3 LYS A 34 56.058 -15.427 19.048 1.00 10.00 H new ATOM 0 HE2 LYS A 34 53.671 -15.291 19.640 1.00 10.00 H new ATOM 0 HE3 LYS A 34 53.551 -17.038 19.720 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 53.771 -16.074 21.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 55.127 -17.035 21.563 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.243 -15.342 21.486 1.00 10.00 H new ATOM 516 N GLN A 35 51.739 -16.554 15.323 1.00 10.00 N ATOM 517 CA GLN A 35 50.740 -17.585 14.982 1.00 10.00 C ATOM 518 C GLN A 35 50.763 -17.938 13.489 1.00 10.00 C ATOM 519 O GLN A 35 50.703 -19.107 13.110 1.00 10.00 O ATOM 520 CB GLN A 35 49.331 -17.111 15.379 1.00 10.00 C ATOM 521 CG GLN A 35 49.118 -17.170 16.892 1.00 10.00 C ATOM 522 CD GLN A 35 47.871 -16.411 17.333 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.744 -16.879 17.230 1.00 10.00 O ATOM 524 NE2 GLN A 35 48.037 -15.215 17.848 1.00 10.00 N ATOM 0 H GLN A 35 51.329 -15.701 15.704 1.00 10.00 H new ATOM 0 HA GLN A 35 50.999 -18.484 15.542 1.00 10.00 H new ATOM 0 HB2 GLN A 35 49.179 -16.090 15.030 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.585 -17.732 14.882 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.036 -18.211 17.204 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.991 -16.754 17.396 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.975 -14.823 17.935 1.00 10.00 H new ATOM 0 HE22 GLN A 35 47.228 -14.678 18.161 1.00 10.00 H new ATOM 533 N LEU A 36 50.899 -16.927 12.636 1.00 10.00 N ATOM 534 CA LEU A 36 50.987 -17.080 11.187 1.00 10.00 C ATOM 535 C LEU A 36 52.325 -17.667 10.726 1.00 10.00 C ATOM 536 O LEU A 36 52.341 -18.502 9.826 1.00 10.00 O ATOM 537 CB LEU A 36 50.696 -15.722 10.568 1.00 10.00 C ATOM 538 CG LEU A 36 50.530 -15.787 9.045 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.489 -16.767 8.506 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.061 -14.402 8.647 1.00 10.00 C ATOM 0 H LEU A 36 50.952 -15.955 12.940 1.00 10.00 H new ATOM 0 HA LEU A 36 50.250 -17.809 10.850 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.788 -15.313 11.011 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.507 -15.035 10.812 1.00 10.00 H new ATOM 0 HG LEU A 36 51.482 -16.127 8.637 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.470 -16.716 7.417 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.747 -17.779 8.817 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.506 -16.506 8.898 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.917 -14.363 7.567 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.118 -14.180 9.147 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.810 -13.666 8.940 1.00 10.00 H new ATOM 552 N GLN A 37 53.433 -17.305 11.374 1.00 10.00 N ATOM 553 CA GLN A 37 54.733 -17.945 11.163 1.00 10.00 C ATOM 554 C GLN A 37 54.728 -19.406 11.637 1.00 10.00 C ATOM 555 O GLN A 37 55.344 -20.252 10.998 1.00 10.00 O ATOM 556 CB GLN A 37 55.825 -17.121 11.864 1.00 10.00 C ATOM 557 CG GLN A 37 57.244 -17.610 11.528 1.00 10.00 C ATOM 558 CD GLN A 37 58.341 -16.754 12.167 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.190 -16.168 13.232 1.00 10.00 O ATOM 560 NE2 GLN A 37 59.494 -16.644 11.541 1.00 10.00 N ATOM 0 H GLN A 37 53.454 -16.555 12.065 1.00 10.00 H new ATOM 0 HA GLN A 37 54.945 -17.971 10.094 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.727 -16.075 11.574 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.674 -17.168 12.943 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.355 -18.641 11.862 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.375 -17.610 10.446 1.00 10.00 H new ATOM 0 HE21 GLN A 37 59.640 -17.124 10.653 1.00 10.00 H new ATOM 0 HE22 GLN A 37 60.241 -16.079 11.944 1.00 10.00 H new ATOM 569 N ASP A 38 53.991 -19.737 12.699 1.00 10.00 N ATOM 570 CA ASP A 38 53.750 -21.130 13.094 1.00 10.00 C ATOM 571 C ASP A 38 52.884 -21.872 12.065 1.00 10.00 C ATOM 572 O ASP A 38 53.171 -23.027 11.748 1.00 10.00 O ATOM 573 CB ASP A 38 53.151 -21.217 14.503 1.00 10.00 C ATOM 574 CG ASP A 38 53.077 -22.679 14.975 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.148 -23.285 15.216 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.952 -23.219 15.112 1.00 10.00 O ATOM 0 H ASP A 38 53.545 -19.052 13.309 1.00 10.00 H new ATOM 0 HA ASP A 38 54.718 -21.631 13.119 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.758 -20.636 15.198 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.153 -20.778 14.507 1.00 10.00 H new ATOM 581 N ALA A 39 51.898 -21.201 11.452 1.00 10.00 N ATOM 582 CA ALA A 39 51.175 -21.763 10.307 1.00 10.00 C ATOM 583 C ALA A 39 52.133 -22.048 9.152 1.00 10.00 C ATOM 584 O ALA A 39 52.121 -23.141 8.595 1.00 10.00 O ATOM 585 CB ALA A 39 50.028 -20.863 9.812 1.00 10.00 C ATOM 0 H ALA A 39 51.585 -20.271 11.731 1.00 10.00 H new ATOM 0 HA ALA A 39 50.728 -22.693 10.660 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.534 -21.337 8.964 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.307 -20.717 10.616 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.430 -19.897 9.505 1.00 10.00 H new ATOM 591 N GLN A 40 53.001 -21.085 8.847 1.00 10.00 N ATOM 592 CA GLN A 40 54.023 -21.167 7.811 1.00 10.00 C ATOM 593 C GLN A 40 55.098 -22.210 8.133 1.00 10.00 C ATOM 594 O GLN A 40 55.722 -22.712 7.210 1.00 10.00 O ATOM 595 CB GLN A 40 54.646 -19.772 7.615 1.00 10.00 C ATOM 596 CG GLN A 40 55.316 -19.616 6.238 1.00 10.00 C ATOM 597 CD GLN A 40 55.874 -18.214 5.984 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.685 -17.267 6.739 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.591 -18.019 4.897 1.00 10.00 N ATOM 0 H GLN A 40 53.010 -20.190 9.337 1.00 10.00 H new ATOM 0 HA GLN A 40 53.551 -21.495 6.885 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.872 -19.013 7.727 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.384 -19.594 8.397 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.125 -20.341 6.153 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.590 -19.856 5.461 1.00 10.00 H new ATOM 0 HE21 GLN A 40 56.762 -18.792 4.253 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.975 -17.095 4.699 1.00 10.00 H new ATOM 608 N ALA A 41 55.331 -22.557 9.400 1.00 10.00 N ATOM 609 CA ALA A 41 56.167 -23.691 9.809 1.00 10.00 C ATOM 610 C ALA A 41 55.457 -25.042 9.727 1.00 10.00 C ATOM 611 O ALA A 41 56.072 -26.006 9.281 1.00 10.00 O ATOM 612 CB ALA A 41 56.783 -23.432 11.179 1.00 10.00 C ATOM 0 H ALA A 41 54.935 -22.047 10.190 1.00 10.00 H new ATOM 0 HA ALA A 41 56.976 -23.767 9.082 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.400 -24.283 11.467 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.400 -22.534 11.137 1.00 10.00 H new ATOM 0 HB3 ALA A 41 55.990 -23.293 11.914 1.00 10.00 H new ATOM 618 N ASN A 42 54.167 -25.139 10.068 1.00 10.00 N ATOM 619 CA ASN A 42 53.395 -26.352 9.781 1.00 10.00 C ATOM 620 C ASN A 42 53.326 -26.556 8.260 1.00 10.00 C ATOM 621 O ASN A 42 53.387 -27.683 7.770 1.00 10.00 O ATOM 622 CB ASN A 42 52.013 -26.316 10.460 1.00 10.00 C ATOM 623 CG ASN A 42 52.115 -26.233 11.977 1.00 10.00 C ATOM 624 OD1 ASN A 42 53.016 -26.790 12.591 1.00 10.00 O ATOM 625 ND2 ASN A 42 51.198 -25.557 12.631 1.00 10.00 N ATOM 0 H ASN A 42 53.641 -24.402 10.537 1.00 10.00 H new ATOM 0 HA ASN A 42 53.897 -27.220 10.208 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.451 -25.459 10.089 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.452 -27.209 10.184 1.00 10.00 H new ATOM 0 HD21 ASN A 42 51.237 -25.497 13.648 1.00 10.00 H new ATOM 0 HD22 ASN A 42 50.447 -25.092 12.121 1.00 10.00 H new ATOM 632 N LEU A 43 53.307 -25.446 7.514 1.00 10.00 N ATOM 633 CA LEU A 43 53.468 -25.421 6.082 1.00 10.00 C ATOM 634 C LEU A 43 54.908 -25.707 5.667 1.00 10.00 C ATOM 635 O LEU A 43 55.122 -26.423 4.717 1.00 10.00 O ATOM 636 CB LEU A 43 52.964 -24.069 5.543 1.00 10.00 C ATOM 637 CG LEU A 43 52.413 -24.214 4.137 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.133 -25.023 4.224 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.032 -22.890 3.499 1.00 10.00 C ATOM 0 H LEU A 43 53.174 -24.518 7.917 1.00 10.00 H new ATOM 0 HA LEU A 43 52.870 -26.219 5.642 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.189 -23.677 6.202 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.780 -23.346 5.545 1.00 10.00 H new ATOM 0 HG LEU A 43 53.194 -24.678 3.535 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.711 -25.145 3.226 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.350 -26.003 4.649 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.416 -24.503 4.860 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.646 -23.068 2.495 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.266 -22.403 4.102 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.911 -22.248 3.441 1.00 10.00 H new ATOM 651 N THR A 44 55.927 -25.258 6.385 1.00 10.00 N ATOM 652 CA THR A 44 57.322 -25.551 6.020 1.00 10.00 C ATOM 653 C THR A 44 57.604 -27.054 6.084 1.00 10.00 C ATOM 654 O THR A 44 58.319 -27.605 5.243 1.00 10.00 O ATOM 655 CB THR A 44 58.318 -24.806 6.911 1.00 10.00 C ATOM 656 OG1 THR A 44 58.295 -23.424 6.633 1.00 10.00 O ATOM 657 CG2 THR A 44 59.736 -25.294 6.676 1.00 10.00 C ATOM 0 H THR A 44 55.823 -24.689 7.225 1.00 10.00 H new ATOM 0 HA THR A 44 57.455 -25.203 4.995 1.00 10.00 H new ATOM 0 HB THR A 44 58.023 -24.996 7.943 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.455 -23.039 6.958 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.421 -24.746 7.323 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.797 -26.359 6.902 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.010 -25.128 5.634 1.00 10.00 H new ATOM 665 N LYS A 45 57.019 -27.723 7.080 1.00 10.00 N ATOM 666 CA LYS A 45 57.087 -29.180 7.257 1.00 10.00 C ATOM 667 C LYS A 45 56.473 -29.947 6.077 1.00 10.00 C ATOM 668 O LYS A 45 56.976 -31.014 5.722 1.00 10.00 O ATOM 669 CB LYS A 45 56.412 -29.533 8.589 1.00 10.00 C ATOM 670 CG LYS A 45 57.147 -29.003 9.837 1.00 10.00 C ATOM 671 CD LYS A 45 56.250 -29.022 11.092 1.00 10.00 C ATOM 672 CE LYS A 45 56.636 -27.876 12.038 1.00 10.00 C ATOM 673 NZ LYS A 45 55.641 -27.671 13.125 1.00 10.00 N ATOM 0 H LYS A 45 56.471 -27.258 7.804 1.00 10.00 H new ATOM 0 HA LYS A 45 58.132 -29.489 7.282 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.397 -29.136 8.584 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.330 -30.617 8.664 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.035 -29.608 10.018 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.488 -27.984 9.651 1.00 10.00 H new ATOM 0 HD2 LYS A 45 55.204 -28.926 10.801 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.352 -29.978 11.606 1.00 10.00 H new ATOM 0 HE2 LYS A 45 57.611 -28.086 12.478 1.00 10.00 H new ATOM 0 HE3 LYS A 45 56.737 -26.955 11.464 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 55.997 -26.957 13.792 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 54.742 -27.345 12.716 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.487 -28.568 13.628 1.00 10.00 H new ATOM 687 N ASN A 46 55.441 -29.390 5.436 1.00 10.00 N ATOM 688 CA ASN A 46 54.865 -29.854 4.182 1.00 10.00 C ATOM 689 C ASN A 46 54.207 -28.702 3.383 1.00 10.00 C ATOM 690 O ASN A 46 53.036 -28.391 3.628 1.00 10.00 O ATOM 691 CB ASN A 46 53.929 -31.014 4.500 1.00 10.00 C ATOM 692 CG ASN A 46 53.448 -31.739 3.244 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.495 -31.238 2.128 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.015 -32.972 3.372 1.00 10.00 N ATOM 0 H ASN A 46 54.966 -28.564 5.800 1.00 10.00 H new ATOM 0 HA ASN A 46 55.643 -30.219 3.512 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.442 -31.722 5.151 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.067 -30.640 5.052 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.724 -33.498 2.548 1.00 10.00 H new ATOM 0 HD22 ASN A 46 52.970 -33.403 4.295 1.00 10.00 H new ATOM 701 N PRO A 47 54.959 -28.029 2.479 1.00 10.00 N ATOM 702 CA PRO A 47 54.549 -26.788 1.807 1.00 10.00 C ATOM 703 C PRO A 47 53.164 -26.733 1.169 1.00 10.00 C ATOM 704 O PRO A 47 52.612 -25.637 1.049 1.00 10.00 O ATOM 705 CB PRO A 47 55.648 -26.498 0.804 1.00 10.00 C ATOM 706 CG PRO A 47 56.903 -26.978 1.526 1.00 10.00 C ATOM 707 CD PRO A 47 56.412 -28.158 2.365 1.00 10.00 C ATOM 0 HA PRO A 47 54.430 -26.025 2.576 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.491 -27.033 -0.133 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.703 -25.437 0.560 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.678 -27.282 0.822 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.330 -26.193 2.150 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.679 -29.104 1.893 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.878 -28.151 3.350 1.00 10.00 H new ATOM 715 N SER A 48 52.570 -27.869 0.796 1.00 10.00 N ATOM 716 CA SER A 48 51.196 -27.948 0.343 1.00 10.00 C ATOM 717 C SER A 48 50.326 -29.015 1.005 1.00 10.00 C ATOM 718 O SER A 48 49.356 -29.504 0.419 1.00 10.00 O ATOM 719 CB SER A 48 51.213 -27.962 -1.171 1.00 10.00 C ATOM 720 OG SER A 48 51.754 -29.171 -1.688 1.00 10.00 O ATOM 0 H SER A 48 53.046 -28.771 0.804 1.00 10.00 H new ATOM 0 HA SER A 48 50.666 -27.060 0.688 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.198 -27.830 -1.546 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.799 -27.118 -1.534 1.00 10.00 H new ATOM 0 HG SER A 48 51.746 -29.141 -2.667 1.00 10.00 H new ATOM 726 N ASP A 49 50.658 -29.360 2.252 1.00 10.00 N ATOM 727 CA ASP A 49 49.781 -30.161 3.113 1.00 10.00 C ATOM 728 C ASP A 49 48.484 -29.349 3.249 1.00 10.00 C ATOM 729 O ASP A 49 48.533 -28.173 3.614 1.00 10.00 O ATOM 730 CB ASP A 49 50.462 -30.472 4.455 1.00 10.00 C ATOM 731 CG ASP A 49 49.530 -31.025 5.552 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.497 -30.396 5.873 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.838 -32.110 6.102 1.00 10.00 O ATOM 0 H ASP A 49 51.539 -29.094 2.693 1.00 10.00 H new ATOM 0 HA ASP A 49 49.560 -31.142 2.692 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.260 -31.194 4.281 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.932 -29.561 4.825 1.00 10.00 H new ATOM 738 N PRO A 50 47.319 -29.916 2.919 1.00 10.00 N ATOM 739 CA PRO A 50 46.104 -29.135 2.793 1.00 10.00 C ATOM 740 C PRO A 50 45.539 -28.597 4.102 1.00 10.00 C ATOM 741 O PRO A 50 44.904 -27.552 4.072 1.00 10.00 O ATOM 742 CB PRO A 50 45.118 -30.047 2.094 1.00 10.00 C ATOM 743 CG PRO A 50 45.588 -31.462 2.444 1.00 10.00 C ATOM 744 CD PRO A 50 47.097 -31.310 2.598 1.00 10.00 C ATOM 0 HA PRO A 50 46.317 -28.224 2.233 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.100 -29.870 2.440 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.121 -29.883 1.016 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.125 -31.822 3.363 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.335 -32.174 1.659 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.477 -31.959 3.387 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.614 -31.588 1.680 1.00 10.00 H new ATOM 752 N THR A 51 45.780 -29.242 5.242 1.00 10.00 N ATOM 753 CA THR A 51 45.439 -28.691 6.563 1.00 10.00 C ATOM 754 C THR A 51 46.434 -27.622 6.979 1.00 10.00 C ATOM 755 O THR A 51 46.012 -26.593 7.486 1.00 10.00 O ATOM 756 CB THR A 51 45.429 -29.810 7.598 1.00 10.00 C ATOM 757 OG1 THR A 51 44.288 -30.625 7.413 1.00 10.00 O ATOM 758 CG2 THR A 51 45.446 -29.315 9.042 1.00 10.00 C ATOM 0 H THR A 51 46.217 -30.163 5.282 1.00 10.00 H new ATOM 0 HA THR A 51 44.450 -28.237 6.501 1.00 10.00 H new ATOM 0 HB THR A 51 46.349 -30.372 7.439 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.288 -31.343 8.080 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.438 -30.169 9.719 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.346 -28.724 9.214 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.567 -28.698 9.225 1.00 10.00 H new ATOM 766 N ALA A 52 47.731 -27.804 6.738 1.00 10.00 N ATOM 767 CA ALA A 52 48.734 -26.756 6.915 1.00 10.00 C ATOM 768 C ALA A 52 48.412 -25.516 6.089 1.00 10.00 C ATOM 769 O ALA A 52 48.514 -24.394 6.582 1.00 10.00 O ATOM 770 CB ALA A 52 50.091 -27.365 6.540 1.00 10.00 C ATOM 0 H ALA A 52 48.118 -28.690 6.412 1.00 10.00 H new ATOM 0 HA ALA A 52 48.749 -26.413 7.950 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.872 -26.614 6.658 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.302 -28.213 7.191 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.065 -27.701 5.504 1.00 10.00 H new ATOM 776 N LEU A 53 47.986 -25.718 4.850 1.00 10.00 N ATOM 777 CA LEU A 53 47.690 -24.650 3.910 1.00 10.00 C ATOM 778 C LEU A 53 46.320 -24.034 4.202 1.00 10.00 C ATOM 779 O LEU A 53 46.177 -22.819 4.137 1.00 10.00 O ATOM 780 CB LEU A 53 47.863 -25.254 2.510 1.00 10.00 C ATOM 781 CG LEU A 53 48.079 -24.305 1.320 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.626 -22.936 1.688 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.123 -24.962 0.419 1.00 10.00 C ATOM 0 H LEU A 53 47.834 -26.650 4.464 1.00 10.00 H new ATOM 0 HA LEU A 53 48.367 -23.800 3.997 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.712 -25.937 2.547 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.979 -25.855 2.297 1.00 10.00 H new ATOM 0 HG LEU A 53 47.104 -24.147 0.859 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.745 -22.337 0.785 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.933 -22.437 2.365 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.593 -23.050 2.178 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.312 -24.324 -0.444 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.049 -25.101 0.977 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.754 -25.930 0.081 1.00 10.00 H new ATOM 795 N ALA A 54 45.346 -24.837 4.637 1.00 10.00 N ATOM 796 CA ALA A 54 44.073 -24.362 5.170 1.00 10.00 C ATOM 797 C ALA A 54 44.287 -23.524 6.438 1.00 10.00 C ATOM 798 O ALA A 54 43.679 -22.471 6.601 1.00 10.00 O ATOM 799 CB ALA A 54 43.182 -25.575 5.487 1.00 10.00 C ATOM 0 H ALA A 54 45.424 -25.854 4.627 1.00 10.00 H new ATOM 0 HA ALA A 54 43.591 -23.728 4.426 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.228 -25.231 5.886 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.009 -26.147 4.576 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.677 -26.207 6.224 1.00 10.00 H new ATOM 805 N ASN A 55 45.190 -23.972 7.312 1.00 10.00 N ATOM 806 CA ASN A 55 45.556 -23.316 8.560 1.00 10.00 C ATOM 807 C ASN A 55 46.224 -21.967 8.294 1.00 10.00 C ATOM 808 O ASN A 55 45.763 -20.932 8.767 1.00 10.00 O ATOM 809 CB ASN A 55 46.488 -24.259 9.338 1.00 10.00 C ATOM 810 CG ASN A 55 47.085 -23.672 10.589 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.400 -23.289 11.524 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.395 -23.612 10.633 1.00 10.00 N ATOM 0 H ASN A 55 45.706 -24.839 7.159 1.00 10.00 H new ATOM 0 HA ASN A 55 44.663 -23.112 9.151 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.931 -25.157 9.606 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.298 -24.571 8.678 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.861 -23.240 11.460 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.947 -23.938 9.840 1.00 10.00 H new ATOM 819 N TYR A 56 47.275 -21.981 7.476 1.00 10.00 N ATOM 820 CA TYR A 56 47.924 -20.765 6.975 1.00 10.00 C ATOM 821 C TYR A 56 46.953 -19.825 6.269 1.00 10.00 C ATOM 822 O TYR A 56 46.940 -18.650 6.604 1.00 10.00 O ATOM 823 CB TYR A 56 49.142 -21.175 6.133 1.00 10.00 C ATOM 824 CG TYR A 56 49.840 -20.146 5.269 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.458 -19.995 3.923 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.995 -19.495 5.751 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.239 -19.214 3.050 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.784 -18.722 4.879 1.00 10.00 C ATOM 829 CZ TYR A 56 51.416 -18.591 3.521 1.00 10.00 C ATOM 830 OH TYR A 56 52.188 -17.871 2.663 1.00 10.00 O ATOM 0 H TYR A 56 47.705 -22.842 7.138 1.00 10.00 H new ATOM 0 HA TYR A 56 48.282 -20.166 7.812 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.886 -21.585 6.816 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.827 -21.988 5.479 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.564 -20.479 3.559 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.274 -19.590 6.790 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.938 -19.091 2.020 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.671 -18.229 5.248 1.00 10.00 H new ATOM 0 HH TYR A 56 52.960 -17.507 3.144 1.00 10.00 H new ATOM 840 N GLN A 57 46.062 -20.306 5.403 1.00 10.00 N ATOM 841 CA GLN A 57 45.066 -19.440 4.757 1.00 10.00 C ATOM 842 C GLN A 57 44.038 -18.866 5.753 1.00 10.00 C ATOM 843 O GLN A 57 43.679 -17.694 5.646 1.00 10.00 O ATOM 844 CB GLN A 57 44.367 -20.165 3.595 1.00 10.00 C ATOM 845 CG GLN A 57 45.259 -20.258 2.344 1.00 10.00 C ATOM 846 CD GLN A 57 45.506 -18.894 1.694 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.627 -18.292 1.092 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.701 -18.345 1.791 1.00 10.00 N ATOM 0 H GLN A 57 46.006 -21.287 5.130 1.00 10.00 H new ATOM 0 HA GLN A 57 45.613 -18.590 4.350 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.085 -21.169 3.913 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.446 -19.640 3.343 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.215 -20.705 2.617 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.792 -20.923 1.618 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.447 -18.831 2.289 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.880 -17.434 1.368 1.00 10.00 H new ATOM 857 N MET A 58 43.602 -19.641 6.751 1.00 10.00 N ATOM 858 CA MET A 58 42.678 -19.200 7.806 1.00 10.00 C ATOM 859 C MET A 58 43.299 -18.136 8.714 1.00 10.00 C ATOM 860 O MET A 58 42.699 -17.085 8.950 1.00 10.00 O ATOM 861 CB MET A 58 42.241 -20.433 8.617 1.00 10.00 C ATOM 862 CG MET A 58 41.285 -20.114 9.774 1.00 10.00 C ATOM 863 SD MET A 58 40.894 -21.539 10.831 1.00 10.00 S ATOM 864 CE MET A 58 42.471 -21.745 11.714 1.00 10.00 C ATOM 0 H MET A 58 43.887 -20.615 6.852 1.00 10.00 H new ATOM 0 HA MET A 58 41.811 -18.731 7.341 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.758 -21.144 7.946 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.128 -20.924 9.017 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.726 -19.330 10.389 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.357 -19.714 9.364 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.338 -22.448 12.536 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.225 -22.128 11.027 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.795 -20.782 12.109 1.00 10.00 H new ATOM 874 N ILE A 59 44.518 -18.377 9.198 1.00 10.00 N ATOM 875 CA ILE A 59 45.252 -17.442 10.037 1.00 10.00 C ATOM 876 C ILE A 59 45.648 -16.212 9.219 1.00 10.00 C ATOM 877 O ILE A 59 45.573 -15.103 9.732 1.00 10.00 O ATOM 878 CB ILE A 59 46.454 -18.175 10.657 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.993 -19.298 11.615 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.353 -17.232 11.454 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.159 -20.168 12.086 1.00 10.00 C ATOM 0 H ILE A 59 45.027 -19.241 9.013 1.00 10.00 H new ATOM 0 HA ILE A 59 44.632 -17.078 10.856 1.00 10.00 H new ATOM 0 HB ILE A 59 47.011 -18.593 9.819 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.499 -18.856 12.480 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.255 -19.923 11.112 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.188 -17.793 11.873 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.734 -16.451 10.797 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.779 -16.778 12.262 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.787 -20.943 12.757 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.637 -20.633 11.224 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.885 -19.549 12.614 1.00 10.00 H new ATOM 893 N MET A 60 46.000 -16.370 7.940 1.00 10.00 N ATOM 894 CA MET A 60 46.318 -15.251 7.054 1.00 10.00 C ATOM 895 C MET A 60 45.101 -14.387 6.719 1.00 10.00 C ATOM 896 O MET A 60 45.228 -13.170 6.623 1.00 10.00 O ATOM 897 CB MET A 60 47.000 -15.738 5.774 1.00 10.00 C ATOM 898 CG MET A 60 47.798 -14.602 5.143 1.00 10.00 C ATOM 899 SD MET A 60 48.945 -15.121 3.845 1.00 10.00 S ATOM 900 CE MET A 60 50.216 -15.828 4.926 1.00 10.00 C ATOM 0 H MET A 60 46.072 -17.282 7.490 1.00 10.00 H new ATOM 0 HA MET A 60 47.012 -14.616 7.604 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.660 -16.575 6.000 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.252 -16.103 5.070 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.102 -13.874 4.725 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.361 -14.092 5.925 1.00 10.00 H new ATOM 0 HE1 MET A 60 51.137 -15.970 4.360 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.403 -15.150 5.759 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.874 -16.789 5.310 1.00 10.00 H new ATOM 910 N SER A 61 43.917 -14.990 6.595 1.00 10.00 N ATOM 911 CA SER A 61 42.643 -14.273 6.463 1.00 10.00 C ATOM 912 C SER A 61 42.394 -13.381 7.687 1.00 10.00 C ATOM 913 O SER A 61 42.144 -12.182 7.542 1.00 10.00 O ATOM 914 CB SER A 61 41.500 -15.279 6.262 1.00 10.00 C ATOM 915 OG SER A 61 40.269 -14.617 6.015 1.00 10.00 O ATOM 0 H SER A 61 43.813 -16.005 6.583 1.00 10.00 H new ATOM 0 HA SER A 61 42.687 -13.623 5.589 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.735 -15.938 5.426 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.406 -15.908 7.147 1.00 10.00 H new ATOM 0 HG SER A 61 39.560 -15.281 5.889 1.00 10.00 H new ATOM 921 N GLU A 62 42.564 -13.923 8.899 1.00 10.00 N ATOM 922 CA GLU A 62 42.478 -13.151 10.146 1.00 10.00 C ATOM 923 C GLU A 62 43.583 -12.088 10.268 1.00 10.00 C ATOM 924 O GLU A 62 43.310 -10.936 10.602 1.00 10.00 O ATOM 925 CB GLU A 62 42.482 -14.118 11.344 1.00 10.00 C ATOM 926 CG GLU A 62 42.237 -13.393 12.675 1.00 10.00 C ATOM 927 CD GLU A 62 41.971 -14.397 13.813 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.936 -14.845 14.476 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.787 -14.743 14.055 1.00 10.00 O ATOM 0 H GLU A 62 42.766 -14.912 9.044 1.00 10.00 H new ATOM 0 HA GLU A 62 41.541 -12.595 10.136 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.713 -14.877 11.199 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.439 -14.638 11.386 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.103 -12.779 12.923 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.386 -12.719 12.574 1.00 10.00 H new ATOM 936 N TYR A 63 44.819 -12.444 9.932 1.00 10.00 N ATOM 937 CA TYR A 63 45.977 -11.552 9.955 1.00 10.00 C ATOM 938 C TYR A 63 45.804 -10.344 9.035 1.00 10.00 C ATOM 939 O TYR A 63 46.000 -9.197 9.445 1.00 10.00 O ATOM 940 CB TYR A 63 47.215 -12.365 9.566 1.00 10.00 C ATOM 941 CG TYR A 63 48.492 -11.568 9.444 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.213 -11.198 10.592 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.981 -11.252 8.164 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.441 -10.528 10.458 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.210 -10.588 8.024 1.00 10.00 C ATOM 946 CZ TYR A 63 50.949 -10.232 9.176 1.00 10.00 C ATOM 947 OH TYR A 63 52.123 -9.551 9.087 1.00 10.00 O ATOM 0 H TYR A 63 45.051 -13.389 9.627 1.00 10.00 H new ATOM 0 HA TYR A 63 46.089 -11.147 10.961 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.364 -13.149 10.308 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.021 -12.860 8.614 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.825 -11.428 11.573 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.410 -11.521 7.287 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.997 -10.239 11.338 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.589 -10.350 7.041 1.00 10.00 H new ATOM 0 HH TYR A 63 52.353 -9.418 8.144 1.00 10.00 H new ATOM 957 N ASN A 64 45.379 -10.597 7.798 1.00 10.00 N ATOM 958 CA ASN A 64 45.170 -9.556 6.801 1.00 10.00 C ATOM 959 C ASN A 64 44.013 -8.626 7.221 1.00 10.00 C ATOM 960 O ASN A 64 44.103 -7.409 7.061 1.00 10.00 O ATOM 961 CB ASN A 64 44.909 -10.222 5.439 1.00 10.00 C ATOM 962 CG ASN A 64 44.656 -9.203 4.340 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.524 -8.865 4.024 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.692 -8.677 3.727 1.00 10.00 N ATOM 0 H ASN A 64 45.170 -11.536 7.460 1.00 10.00 H new ATOM 0 HA ASN A 64 46.060 -8.932 6.719 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.765 -10.840 5.169 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.049 -10.887 5.521 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.552 -7.988 2.988 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.637 -8.958 3.990 1.00 10.00 H new ATOM 1108 N VAL A 74 40.201 4.019 11.487 1.00 10.00 N ATOM 1109 CA VAL A 74 40.594 5.421 11.321 1.00 10.00 C ATOM 1110 C VAL A 74 39.772 6.098 10.218 1.00 10.00 C ATOM 1111 O VAL A 74 39.285 7.215 10.414 1.00 10.00 O ATOM 1112 CB VAL A 74 42.111 5.466 11.046 1.00 10.00 C ATOM 1113 CG1 VAL A 74 42.583 6.833 10.568 1.00 10.00 C ATOM 1114 CG2 VAL A 74 42.895 5.101 12.314 1.00 10.00 C ATOM 0 HA VAL A 74 40.386 5.984 12.231 1.00 10.00 H new ATOM 0 HB VAL A 74 42.298 4.742 10.253 1.00 10.00 H new ATOM 0 HG11 VAL A 74 43.658 6.805 10.390 1.00 10.00 H new ATOM 0 HG12 VAL A 74 42.069 7.092 9.642 1.00 10.00 H new ATOM 0 HG13 VAL A 74 42.360 7.581 11.329 1.00 10.00 H new ATOM 0 HG21 VAL A 74 43.964 5.137 12.104 1.00 10.00 H new ATOM 0 HG22 VAL A 74 42.657 5.811 13.106 1.00 10.00 H new ATOM 0 HG23 VAL A 74 42.622 4.095 12.634 1.00 10.00 H new ATOM 1124 N LYS A 75 39.544 5.413 9.088 1.00 10.00 N ATOM 1125 CA LYS A 75 38.599 5.852 8.045 1.00 10.00 C ATOM 1126 C LYS A 75 37.181 5.977 8.606 1.00 10.00 C ATOM 1127 O LYS A 75 36.581 7.040 8.483 1.00 10.00 O ATOM 1128 CB LYS A 75 38.681 4.889 6.845 1.00 10.00 C ATOM 1129 CG LYS A 75 37.661 5.127 5.713 1.00 10.00 C ATOM 1130 CD LYS A 75 37.638 6.563 5.158 1.00 10.00 C ATOM 1131 CE LYS A 75 37.006 6.658 3.758 1.00 10.00 C ATOM 1132 NZ LYS A 75 35.603 6.167 3.699 1.00 10.00 N ATOM 0 H LYS A 75 40.012 4.533 8.869 1.00 10.00 H new ATOM 0 HA LYS A 75 38.874 6.847 7.696 1.00 10.00 H new ATOM 0 HB2 LYS A 75 39.684 4.952 6.422 1.00 10.00 H new ATOM 0 HB3 LYS A 75 38.554 3.871 7.213 1.00 10.00 H new ATOM 0 HG2 LYS A 75 37.879 4.440 4.896 1.00 10.00 H new ATOM 0 HG3 LYS A 75 36.666 4.879 6.081 1.00 10.00 H new ATOM 0 HD2 LYS A 75 37.084 7.203 5.845 1.00 10.00 H new ATOM 0 HD3 LYS A 75 38.657 6.947 5.117 1.00 10.00 H new ATOM 0 HE2 LYS A 75 37.032 7.696 3.427 1.00 10.00 H new ATOM 0 HE3 LYS A 75 37.612 6.085 3.056 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 35.271 6.182 2.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 35.560 5.194 4.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 34.996 6.781 4.278 1.00 10.00 H new ATOM 1146 N SER A 76 36.671 4.941 9.272 1.00 10.00 N ATOM 1147 CA SER A 76 35.303 4.897 9.816 1.00 10.00 C ATOM 1148 C SER A 76 35.018 6.009 10.831 1.00 10.00 C ATOM 1149 O SER A 76 33.935 6.591 10.797 1.00 10.00 O ATOM 1150 CB SER A 76 35.003 3.538 10.460 1.00 10.00 C ATOM 1151 OG SER A 76 35.071 2.498 9.499 1.00 10.00 O ATOM 0 H SER A 76 37.203 4.090 9.455 1.00 10.00 H new ATOM 0 HA SER A 76 34.646 5.054 8.960 1.00 10.00 H new ATOM 0 HB2 SER A 76 35.716 3.345 11.262 1.00 10.00 H new ATOM 0 HB3 SER A 76 34.012 3.556 10.913 1.00 10.00 H new ATOM 0 HG SER A 76 34.878 1.640 9.931 1.00 10.00 H new ATOM 1157 N MET A 77 35.983 6.366 11.685 1.00 10.00 N ATOM 1158 CA MET A 77 35.853 7.483 12.632 1.00 10.00 C ATOM 1159 C MET A 77 35.536 8.811 11.917 1.00 10.00 C ATOM 1160 O MET A 77 34.614 9.527 12.315 1.00 10.00 O ATOM 1161 CB MET A 77 37.141 7.589 13.467 1.00 10.00 C ATOM 1162 CG MET A 77 37.028 8.640 14.578 1.00 10.00 C ATOM 1163 SD MET A 77 38.519 8.790 15.599 1.00 10.00 S ATOM 1164 CE MET A 77 37.979 10.114 16.717 1.00 10.00 C ATOM 0 H MET A 77 36.882 5.887 11.740 1.00 10.00 H new ATOM 0 HA MET A 77 35.010 7.283 13.294 1.00 10.00 H new ATOM 0 HB2 MET A 77 37.366 6.618 13.909 1.00 10.00 H new ATOM 0 HB3 MET A 77 37.976 7.842 12.813 1.00 10.00 H new ATOM 0 HG2 MET A 77 36.808 9.608 14.128 1.00 10.00 H new ATOM 0 HG3 MET A 77 36.184 8.388 15.219 1.00 10.00 H new ATOM 0 HE1 MET A 77 38.777 10.342 17.423 1.00 10.00 H new ATOM 0 HE2 MET A 77 37.742 11.006 16.137 1.00 10.00 H new ATOM 0 HE3 MET A 77 37.093 9.790 17.263 1.00 10.00 H new ATOM 1174 N LYS A 78 36.260 9.116 10.832 1.00 10.00 N ATOM 1175 CA LYS A 78 36.043 10.308 9.992 1.00 10.00 C ATOM 1176 C LYS A 78 34.789 10.189 9.118 1.00 10.00 C ATOM 1177 O LYS A 78 34.062 11.164 8.934 1.00 10.00 O ATOM 1178 CB LYS A 78 37.284 10.544 9.113 1.00 10.00 C ATOM 1179 CG LYS A 78 38.535 10.867 9.951 1.00 10.00 C ATOM 1180 CD LYS A 78 39.780 11.124 9.088 1.00 10.00 C ATOM 1181 CE LYS A 78 40.278 9.844 8.402 1.00 10.00 C ATOM 1182 NZ LYS A 78 41.494 10.105 7.588 1.00 10.00 N ATOM 0 H LYS A 78 37.029 8.531 10.505 1.00 10.00 H new ATOM 0 HA LYS A 78 35.886 11.159 10.655 1.00 10.00 H new ATOM 0 HB2 LYS A 78 37.473 9.657 8.508 1.00 10.00 H new ATOM 0 HB3 LYS A 78 37.088 11.365 8.423 1.00 10.00 H new ATOM 0 HG2 LYS A 78 38.338 11.745 10.566 1.00 10.00 H new ATOM 0 HG3 LYS A 78 38.735 10.039 10.631 1.00 10.00 H new ATOM 0 HD2 LYS A 78 39.548 11.874 8.332 1.00 10.00 H new ATOM 0 HD3 LYS A 78 40.575 11.534 9.711 1.00 10.00 H new ATOM 0 HE2 LYS A 78 40.498 9.087 9.155 1.00 10.00 H new ATOM 0 HE3 LYS A 78 39.491 9.441 7.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 41.806 9.221 7.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 41.276 10.810 6.855 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 42.252 10.467 8.202 1.00 10.00 H new ATOM 1196 N ASP A 79 34.515 8.991 8.605 1.00 10.00 N ATOM 1197 CA ASP A 79 33.369 8.699 7.740 1.00 10.00 C ATOM 1198 C ASP A 79 32.029 8.906 8.468 1.00 10.00 C ATOM 1199 O ASP A 79 31.156 9.605 7.958 1.00 10.00 O ATOM 1200 CB ASP A 79 33.498 7.266 7.207 1.00 10.00 C ATOM 1201 CG ASP A 79 32.689 7.062 5.922 1.00 10.00 C ATOM 1202 OD1 ASP A 79 31.491 6.707 5.998 1.00 10.00 O ATOM 1203 OD2 ASP A 79 33.285 7.226 4.830 1.00 10.00 O ATOM 0 H ASP A 79 35.098 8.173 8.783 1.00 10.00 H new ATOM 0 HA ASP A 79 33.374 9.399 6.905 1.00 10.00 H new ATOM 0 HB2 ASP A 79 34.547 7.043 7.015 1.00 10.00 H new ATOM 0 HB3 ASP A 79 33.156 6.563 7.967 1.00 10.00 H new ATOM 1208 N ILE A 80 31.893 8.387 9.694 1.00 10.00 N ATOM 1209 CA ILE A 80 30.717 8.597 10.558 1.00 10.00 C ATOM 1210 C ILE A 80 30.592 10.059 11.008 1.00 10.00 C ATOM 1211 O ILE A 80 29.484 10.588 11.081 1.00 10.00 O ATOM 1212 CB ILE A 80 30.770 7.636 11.770 1.00 10.00 C ATOM 1213 CG1 ILE A 80 30.679 6.148 11.347 1.00 10.00 C ATOM 1214 CG2 ILE A 80 29.690 7.936 12.827 1.00 10.00 C ATOM 1215 CD1 ILE A 80 29.357 5.715 10.693 1.00 10.00 C ATOM 0 H ILE A 80 32.607 7.799 10.124 1.00 10.00 H new ATOM 0 HA ILE A 80 29.824 8.372 9.975 1.00 10.00 H new ATOM 0 HB ILE A 80 31.745 7.814 12.224 1.00 10.00 H new ATOM 0 HG12 ILE A 80 31.492 5.938 10.652 1.00 10.00 H new ATOM 0 HG13 ILE A 80 30.846 5.529 12.229 1.00 10.00 H new ATOM 0 HG21 ILE A 80 29.780 7.228 13.651 1.00 10.00 H new ATOM 0 HG22 ILE A 80 29.822 8.950 13.204 1.00 10.00 H new ATOM 0 HG23 ILE A 80 28.703 7.843 12.375 1.00 10.00 H new ATOM 0 HD11 ILE A 80 29.406 4.656 10.439 1.00 10.00 H new ATOM 0 HD12 ILE A 80 28.535 5.883 11.389 1.00 10.00 H new ATOM 0 HD13 ILE A 80 29.191 6.298 9.787 1.00 10.00 H new ATOM 1227 N ASP A 81 31.709 10.742 11.270 1.00 10.00 N ATOM 1228 CA ASP A 81 31.698 12.166 11.635 1.00 10.00 C ATOM 1229 C ASP A 81 31.172 13.070 10.496 1.00 10.00 C ATOM 1230 O ASP A 81 30.505 14.076 10.755 1.00 10.00 O ATOM 1231 CB ASP A 81 33.101 12.595 12.086 1.00 10.00 C ATOM 1232 CG ASP A 81 33.122 14.043 12.601 1.00 10.00 C ATOM 1233 OD1 ASP A 81 32.621 14.293 13.725 1.00 10.00 O ATOM 1234 OD2 ASP A 81 33.661 14.932 11.899 1.00 10.00 O ATOM 0 H ASP A 81 32.641 10.330 11.236 1.00 10.00 H new ATOM 0 HA ASP A 81 31.001 12.291 12.464 1.00 10.00 H new ATOM 0 HB2 ASP A 81 33.450 11.925 12.872 1.00 10.00 H new ATOM 0 HB3 ASP A 81 33.796 12.497 11.252 1.00 10.00 H new ATOM 1239 N SER A 82 31.423 12.688 9.240 1.00 10.00 N ATOM 1240 CA SER A 82 30.940 13.381 8.033 1.00 10.00 C ATOM 1241 C SER A 82 29.531 12.933 7.590 1.00 10.00 C ATOM 1242 O SER A 82 28.721 13.756 7.155 1.00 10.00 O ATOM 1243 CB SER A 82 31.943 13.133 6.899 1.00 10.00 C ATOM 1244 OG SER A 82 31.694 13.997 5.802 1.00 10.00 O ATOM 0 H SER A 82 31.984 11.864 9.025 1.00 10.00 H new ATOM 0 HA SER A 82 30.861 14.442 8.271 1.00 10.00 H new ATOM 0 HB2 SER A 82 32.958 13.288 7.266 1.00 10.00 H new ATOM 0 HB3 SER A 82 31.878 12.095 6.571 1.00 10.00 H new ATOM 0 HG SER A 82 32.347 13.821 5.092 1.00 10.00 H new ATOM 1250 N SER A 83 29.216 11.642 7.752 1.00 10.00 N ATOM 1251 CA SER A 83 28.027 10.954 7.222 1.00 10.00 C ATOM 1252 C SER A 83 27.483 9.944 8.245 1.00 10.00 C ATOM 1253 O SER A 83 27.608 8.727 8.088 1.00 10.00 O ATOM 1254 CB SER A 83 28.351 10.261 5.886 1.00 10.00 C ATOM 1255 OG SER A 83 28.702 11.209 4.886 1.00 10.00 O ATOM 0 H SER A 83 29.816 11.013 8.286 1.00 10.00 H new ATOM 0 HA SER A 83 27.253 11.700 7.038 1.00 10.00 H new ATOM 0 HB2 SER A 83 29.172 9.558 6.028 1.00 10.00 H new ATOM 0 HB3 SER A 83 27.489 9.682 5.555 1.00 10.00 H new ATOM 0 HG SER A 83 28.904 10.742 4.049 1.00 10.00 H new