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 75 LYS NZ :NH3+ 152:sc= 0.447 (180deg=0) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0.42 USER MOD Set 2.1: A 33 ASN : amide:sc= 0.00239 X(o=0.0055,f=0) USER MOD Set 2.2: A 63 TYR OH : rot 33:sc= 0.00314 USER MOD Set 3.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 60 MET CE :methyl -163:sc= -1.88 (180deg=-3.76!) USER MOD Set 4.1: A 42 ASN : amide:sc= 1.23 K(o=1.9,f=-0.58) USER MOD Set 4.2: A 45 LYS NZ :NH3+ 180:sc= 0.682 (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= -0.48 K(o=-0.48,f=-1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 THR OG1 : rot 56:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -1.7! C(o=-1.7!,f=-4.2!) 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= -0.494 X(o=-0.49,f=-0.3) USER MOD Single : A 57 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.42) USER MOD Single : A 58 MET CE :methyl 169:sc= 0 (180deg=-0.127) USER MOD Single : A 61 SER OG : rot 75:sc= 0.805 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 77 MET CE :methyl 178:sc= 0 (180deg=-0.0113) 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 78:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.891 -12.157 16.268 1.00 10.00 N ATOM 462 CA LEU A 32 49.189 -12.706 15.111 1.00 10.00 C ATOM 463 C LEU A 32 50.180 -13.068 13.992 1.00 10.00 C ATOM 464 O LEU A 32 50.038 -14.093 13.326 1.00 10.00 O ATOM 465 CB LEU A 32 48.176 -11.641 14.654 1.00 10.00 C ATOM 466 CG LEU A 32 46.838 -12.170 14.109 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.041 -10.976 13.587 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.990 -13.194 12.986 1.00 10.00 C ATOM 0 HA LEU A 32 48.671 -13.630 15.369 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.967 -10.982 15.497 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.644 -11.031 13.881 1.00 10.00 H new ATOM 0 HG LEU A 32 46.332 -12.684 14.926 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.085 -11.321 13.193 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.866 -10.272 14.400 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.603 -10.482 12.794 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.004 -13.520 12.655 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.522 -12.741 12.150 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.552 -14.054 13.351 1.00 10.00 H new ATOM 480 N ASN A 33 51.244 -12.272 13.839 1.00 10.00 N ATOM 481 CA ASN A 33 52.364 -12.604 12.951 1.00 10.00 C ATOM 482 C ASN A 33 53.041 -13.921 13.373 1.00 10.00 C ATOM 483 O ASN A 33 53.366 -14.741 12.519 1.00 10.00 O ATOM 484 CB ASN A 33 53.407 -11.471 12.918 1.00 10.00 C ATOM 485 CG ASN A 33 53.002 -10.223 12.152 1.00 10.00 C ATOM 486 OD1 ASN A 33 53.371 -10.033 11.002 1.00 10.00 O ATOM 487 ND2 ASN A 33 52.303 -9.305 12.775 1.00 10.00 N ATOM 0 H ASN A 33 51.353 -11.382 14.326 1.00 10.00 H new ATOM 0 HA ASN A 33 51.951 -12.728 11.950 1.00 10.00 H new ATOM 0 HB2 ASN A 33 53.639 -11.186 13.944 1.00 10.00 H new ATOM 0 HB3 ASN A 33 54.326 -11.861 12.480 1.00 10.00 H new ATOM 0 HD21 ASN A 33 52.068 -8.433 12.300 1.00 10.00 H new ATOM 0 HD22 ASN A 33 51.995 -9.462 13.734 1.00 10.00 H new ATOM 494 N LYS A 34 53.213 -14.154 14.680 1.00 10.00 N ATOM 495 CA LYS A 34 53.763 -15.401 15.238 1.00 10.00 C ATOM 496 C LYS A 34 52.820 -16.593 15.050 1.00 10.00 C ATOM 497 O LYS A 34 53.284 -17.677 14.707 1.00 10.00 O ATOM 498 CB LYS A 34 54.153 -15.178 16.711 1.00 10.00 C ATOM 499 CG LYS A 34 54.953 -16.351 17.298 1.00 10.00 C ATOM 500 CD LYS A 34 55.415 -16.029 18.728 1.00 10.00 C ATOM 501 CE LYS A 34 56.303 -17.128 19.329 1.00 10.00 C ATOM 502 NZ LYS A 34 55.552 -18.379 19.619 1.00 10.00 N ATOM 0 H LYS A 34 52.970 -13.469 15.396 1.00 10.00 H new ATOM 0 HA LYS A 34 54.663 -15.662 14.682 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.743 -14.265 16.792 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.250 -15.028 17.303 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.338 -17.251 17.303 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.818 -16.559 16.669 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.963 -15.087 18.724 1.00 10.00 H new ATOM 0 HD3 LYS A 34 54.541 -15.886 19.364 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.117 -17.350 18.639 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.757 -16.760 20.249 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.199 -19.086 20.023 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 54.791 -18.178 20.299 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.140 -18.749 18.738 1.00 10.00 H new ATOM 516 N GLN A 35 51.505 -16.390 15.172 1.00 10.00 N ATOM 517 CA GLN A 35 50.496 -17.403 14.811 1.00 10.00 C ATOM 518 C GLN A 35 50.590 -17.791 13.328 1.00 10.00 C ATOM 519 O GLN A 35 50.543 -18.968 12.973 1.00 10.00 O ATOM 520 CB GLN A 35 49.072 -16.902 15.114 1.00 10.00 C ATOM 521 CG GLN A 35 48.743 -16.822 16.611 1.00 10.00 C ATOM 522 CD GLN A 35 47.321 -16.302 16.838 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.342 -16.886 16.387 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.123 -15.199 17.528 1.00 10.00 N ATOM 0 H GLN A 35 51.105 -15.520 15.523 1.00 10.00 H new ATOM 0 HA GLN A 35 50.704 -18.284 15.419 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.944 -15.914 14.671 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.354 -17.564 14.630 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.849 -17.808 17.063 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.457 -16.166 17.108 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.918 -14.691 17.916 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.175 -14.853 17.675 1.00 10.00 H new ATOM 533 N LEU A 36 50.767 -16.802 12.455 1.00 10.00 N ATOM 534 CA LEU A 36 50.891 -17.000 11.011 1.00 10.00 C ATOM 535 C LEU A 36 52.227 -17.631 10.606 1.00 10.00 C ATOM 536 O LEU A 36 52.252 -18.496 9.735 1.00 10.00 O ATOM 537 CB LEU A 36 50.640 -15.665 10.328 1.00 10.00 C ATOM 538 CG LEU A 36 50.477 -15.802 8.809 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.406 -16.777 8.315 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.055 -14.427 8.332 1.00 10.00 C ATOM 0 H LEU A 36 50.829 -15.823 12.735 1.00 10.00 H new ATOM 0 HA LEU A 36 50.144 -17.722 10.682 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.742 -15.210 10.747 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.469 -14.990 10.542 1.00 10.00 H new ATOM 0 HG LEU A 36 51.421 -16.191 8.427 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.392 -16.781 7.225 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.631 -17.780 8.679 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.431 -16.466 8.689 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.918 -14.443 7.251 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.118 -14.147 8.813 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.826 -13.700 8.589 1.00 10.00 H new ATOM 552 N GLN A 37 53.323 -17.269 11.273 1.00 10.00 N ATOM 553 CA GLN A 37 54.625 -17.919 11.109 1.00 10.00 C ATOM 554 C GLN A 37 54.597 -19.367 11.615 1.00 10.00 C ATOM 555 O GLN A 37 55.205 -20.235 10.997 1.00 10.00 O ATOM 556 CB GLN A 37 55.700 -17.063 11.804 1.00 10.00 C ATOM 557 CG GLN A 37 57.151 -17.487 11.510 1.00 10.00 C ATOM 558 CD GLN A 37 57.646 -18.709 12.291 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.242 -18.987 13.413 1.00 10.00 O ATOM 560 NE2 GLN A 37 58.561 -19.478 11.738 1.00 10.00 N ATOM 0 H GLN A 37 53.333 -16.507 11.951 1.00 10.00 H new ATOM 0 HA GLN A 37 54.873 -17.985 10.050 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.571 -16.024 11.499 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.536 -17.102 12.881 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.242 -17.696 10.444 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.809 -16.646 11.728 1.00 10.00 H new ATOM 0 HE21 GLN A 37 58.911 -19.264 10.804 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.920 -20.288 12.244 1.00 10.00 H new ATOM 569 N ASP A 38 53.836 -19.665 12.672 1.00 10.00 N ATOM 570 CA ASP A 38 53.567 -21.041 13.105 1.00 10.00 C ATOM 571 C ASP A 38 52.740 -21.813 12.063 1.00 10.00 C ATOM 572 O ASP A 38 53.026 -22.983 11.793 1.00 10.00 O ATOM 573 CB ASP A 38 52.899 -21.048 14.486 1.00 10.00 C ATOM 574 CG ASP A 38 52.671 -22.480 14.996 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.649 -23.127 15.440 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.513 -22.960 14.961 1.00 10.00 O ATOM 0 H ASP A 38 53.387 -18.957 13.254 1.00 10.00 H new ATOM 0 HA ASP A 38 54.521 -21.562 13.192 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.522 -20.503 15.195 1.00 10.00 H new ATOM 0 HB3 ASP A 38 51.945 -20.524 14.432 1.00 10.00 H new ATOM 581 N ALA A 39 51.783 -21.156 11.397 1.00 10.00 N ATOM 582 CA ALA A 39 51.103 -21.746 10.242 1.00 10.00 C ATOM 583 C ALA A 39 52.101 -22.060 9.127 1.00 10.00 C ATOM 584 O ALA A 39 52.126 -23.172 8.610 1.00 10.00 O ATOM 585 CB ALA A 39 49.971 -20.853 9.700 1.00 10.00 C ATOM 0 H ALA A 39 51.464 -20.218 11.639 1.00 10.00 H new ATOM 0 HA ALA A 39 50.647 -22.673 10.591 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.502 -21.339 8.845 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.227 -20.695 10.481 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.382 -19.892 9.391 1.00 10.00 H new ATOM 591 N GLN A 40 52.963 -21.094 8.813 1.00 10.00 N ATOM 592 CA GLN A 40 53.987 -21.174 7.777 1.00 10.00 C ATOM 593 C GLN A 40 55.081 -22.195 8.106 1.00 10.00 C ATOM 594 O GLN A 40 55.711 -22.694 7.186 1.00 10.00 O ATOM 595 CB GLN A 40 54.591 -19.771 7.575 1.00 10.00 C ATOM 596 CG GLN A 40 55.277 -19.611 6.212 1.00 10.00 C ATOM 597 CD GLN A 40 55.779 -18.184 6.006 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.055 -17.295 5.575 1.00 10.00 O ATOM 599 NE2 GLN A 40 57.029 -17.898 6.311 1.00 10.00 N ATOM 0 H GLN A 40 52.965 -20.196 9.296 1.00 10.00 H new ATOM 0 HA GLN A 40 53.518 -21.521 6.856 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.803 -19.024 7.670 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.314 -19.574 8.366 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.113 -20.307 6.140 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.577 -19.870 5.418 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.646 -18.626 6.671 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.380 -16.948 6.187 1.00 10.00 H new ATOM 608 N ALA A 41 55.326 -22.523 9.375 1.00 10.00 N ATOM 609 CA ALA A 41 56.191 -23.632 9.800 1.00 10.00 C ATOM 610 C ALA A 41 55.523 -25.008 9.743 1.00 10.00 C ATOM 611 O ALA A 41 56.174 -25.970 9.331 1.00 10.00 O ATOM 612 CB ALA A 41 56.791 -23.329 11.167 1.00 10.00 C ATOM 0 H ALA A 41 54.919 -22.013 10.159 1.00 10.00 H new ATOM 0 HA ALA A 41 56.998 -23.702 9.070 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.431 -24.156 11.475 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.382 -22.415 11.111 1.00 10.00 H new ATOM 0 HB3 ALA A 41 55.990 -23.199 11.895 1.00 10.00 H new ATOM 618 N ASN A 42 54.234 -25.132 10.077 1.00 10.00 N ATOM 619 CA ASN A 42 53.512 -26.376 9.798 1.00 10.00 C ATOM 620 C ASN A 42 53.433 -26.578 8.278 1.00 10.00 C ATOM 621 O ASN A 42 53.548 -27.702 7.787 1.00 10.00 O ATOM 622 CB ASN A 42 52.157 -26.428 10.521 1.00 10.00 C ATOM 623 CG ASN A 42 52.346 -26.609 12.019 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.571 -27.710 12.505 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.323 -25.552 12.794 1.00 10.00 N ATOM 0 H ASN A 42 53.681 -24.405 10.530 1.00 10.00 H new ATOM 0 HA ASN A 42 54.059 -27.225 10.207 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.603 -25.509 10.329 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.560 -27.249 10.124 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.492 -25.650 13.795 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.136 -24.632 12.396 1.00 10.00 H new ATOM 632 N LEU A 43 53.360 -25.471 7.531 1.00 10.00 N ATOM 633 CA LEU A 43 53.509 -25.450 6.097 1.00 10.00 C ATOM 634 C LEU A 43 54.957 -25.695 5.678 1.00 10.00 C ATOM 635 O LEU A 43 55.189 -26.376 4.705 1.00 10.00 O ATOM 636 CB LEU A 43 52.965 -24.115 5.550 1.00 10.00 C ATOM 637 CG LEU A 43 52.419 -24.283 4.143 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.153 -25.113 4.239 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.023 -22.976 3.477 1.00 10.00 C ATOM 0 H LEU A 43 53.191 -24.548 7.931 1.00 10.00 H new ATOM 0 HA LEU A 43 52.928 -26.265 5.666 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.179 -23.743 6.207 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.759 -23.368 5.549 1.00 10.00 H new ATOM 0 HG LEU A 43 53.211 -24.739 3.549 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.733 -25.253 3.243 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.387 -26.085 4.674 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.428 -24.598 4.869 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.643 -23.178 2.476 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.248 -22.487 4.067 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.894 -22.324 3.409 1.00 10.00 H new ATOM 651 N THR A 44 55.966 -25.249 6.412 1.00 10.00 N ATOM 652 CA THR A 44 57.364 -25.502 6.033 1.00 10.00 C ATOM 653 C THR A 44 57.687 -26.995 6.096 1.00 10.00 C ATOM 654 O THR A 44 58.390 -27.529 5.235 1.00 10.00 O ATOM 655 CB THR A 44 58.355 -24.731 6.907 1.00 10.00 C ATOM 656 OG1 THR A 44 58.294 -23.349 6.627 1.00 10.00 O ATOM 657 CG2 THR A 44 59.780 -25.183 6.642 1.00 10.00 C ATOM 0 H THR A 44 55.852 -24.711 7.271 1.00 10.00 H new ATOM 0 HA THR A 44 57.472 -25.148 5.008 1.00 10.00 H new ATOM 0 HB THR A 44 58.083 -24.926 7.944 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.373 -23.033 6.739 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.464 -24.619 7.276 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.872 -26.246 6.864 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.028 -25.009 5.595 1.00 10.00 H new ATOM 665 N LYS A 45 57.146 -27.680 7.108 1.00 10.00 N ATOM 666 CA LYS A 45 57.248 -29.138 7.253 1.00 10.00 C ATOM 667 C LYS A 45 56.617 -29.900 6.081 1.00 10.00 C ATOM 668 O LYS A 45 57.128 -30.955 5.701 1.00 10.00 O ATOM 669 CB LYS A 45 56.636 -29.545 8.597 1.00 10.00 C ATOM 670 CG LYS A 45 57.501 -29.146 9.807 1.00 10.00 C ATOM 671 CD LYS A 45 56.917 -29.621 11.149 1.00 10.00 C ATOM 672 CE LYS A 45 55.569 -28.948 11.442 1.00 10.00 C ATOM 673 NZ LYS A 45 54.998 -29.347 12.755 1.00 10.00 N ATOM 0 H LYS A 45 56.619 -27.234 7.859 1.00 10.00 H new ATOM 0 HA LYS A 45 58.302 -29.414 7.236 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.653 -29.085 8.695 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.485 -30.624 8.607 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.501 -29.563 9.685 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.608 -28.061 9.828 1.00 10.00 H new ATOM 0 HD2 LYS A 45 56.788 -30.703 11.129 1.00 10.00 H new ATOM 0 HD3 LYS A 45 57.619 -29.398 11.952 1.00 10.00 H new ATOM 0 HE2 LYS A 45 55.696 -27.866 11.420 1.00 10.00 H new ATOM 0 HE3 LYS A 45 54.862 -29.202 10.652 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 54.089 -28.863 12.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 54.848 -30.376 12.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.656 -29.082 13.515 1.00 10.00 H new ATOM 687 N ASN A 46 55.560 -29.355 5.474 1.00 10.00 N ATOM 688 CA ASN A 46 54.948 -29.842 4.248 1.00 10.00 C ATOM 689 C ASN A 46 54.276 -28.711 3.434 1.00 10.00 C ATOM 690 O ASN A 46 53.104 -28.404 3.680 1.00 10.00 O ATOM 691 CB ASN A 46 54.026 -30.996 4.623 1.00 10.00 C ATOM 692 CG ASN A 46 53.558 -31.784 3.401 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.567 -31.322 2.268 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.179 -33.029 3.583 1.00 10.00 N ATOM 0 H ASN A 46 55.092 -28.528 5.844 1.00 10.00 H new ATOM 0 HA ASN A 46 55.704 -30.219 3.560 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.546 -31.666 5.307 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.158 -30.607 5.156 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.897 -33.598 2.785 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.167 -33.426 4.522 1.00 10.00 H new ATOM 701 N PRO A 47 55.018 -28.050 2.511 1.00 10.00 N ATOM 702 CA PRO A 47 54.594 -26.825 1.818 1.00 10.00 C ATOM 703 C PRO A 47 53.208 -26.791 1.184 1.00 10.00 C ATOM 704 O PRO A 47 52.644 -25.703 1.052 1.00 10.00 O ATOM 705 CB PRO A 47 55.689 -26.536 0.811 1.00 10.00 C ATOM 706 CG PRO A 47 56.950 -27.002 1.531 1.00 10.00 C ATOM 707 CD PRO A 47 56.469 -28.176 2.383 1.00 10.00 C ATOM 0 HA PRO A 47 54.467 -26.052 2.576 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.533 -27.078 -0.121 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.736 -25.477 0.559 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.723 -27.309 0.826 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.376 -26.209 2.146 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.733 -29.125 1.916 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.945 -28.160 3.364 1.00 10.00 H new ATOM 715 N SER A 48 52.627 -27.939 0.829 1.00 10.00 N ATOM 716 CA SER A 48 51.253 -28.040 0.383 1.00 10.00 C ATOM 717 C SER A 48 50.401 -29.108 1.068 1.00 10.00 C ATOM 718 O SER A 48 49.439 -29.624 0.494 1.00 10.00 O ATOM 719 CB SER A 48 51.266 -28.074 -1.130 1.00 10.00 C ATOM 720 OG SER A 48 51.839 -29.272 -1.635 1.00 10.00 O ATOM 0 H SER A 48 53.114 -28.835 0.847 1.00 10.00 H new ATOM 0 HA SER A 48 50.710 -27.155 0.714 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.246 -27.976 -1.503 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.827 -27.218 -1.506 1.00 10.00 H new ATOM 0 HG SER A 48 51.826 -29.253 -2.615 1.00 10.00 H new ATOM 726 N ASP A 49 50.740 -29.423 2.321 1.00 10.00 N ATOM 727 CA ASP A 49 49.876 -30.224 3.194 1.00 10.00 C ATOM 728 C ASP A 49 48.565 -29.433 3.334 1.00 10.00 C ATOM 729 O ASP A 49 48.595 -28.255 3.692 1.00 10.00 O ATOM 730 CB ASP A 49 50.552 -30.515 4.540 1.00 10.00 C ATOM 731 CG ASP A 49 49.598 -31.099 5.602 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.657 -30.402 6.043 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.781 -32.280 5.983 1.00 10.00 O ATOM 0 H ASP A 49 51.615 -29.133 2.757 1.00 10.00 H new ATOM 0 HA ASP A 49 49.676 -31.209 2.772 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.374 -31.213 4.380 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.988 -29.593 4.924 1.00 10.00 H new ATOM 738 N PRO A 50 47.408 -30.028 3.026 1.00 10.00 N ATOM 739 CA PRO A 50 46.174 -29.277 2.899 1.00 10.00 C ATOM 740 C PRO A 50 45.609 -28.713 4.197 1.00 10.00 C ATOM 741 O PRO A 50 44.960 -27.677 4.143 1.00 10.00 O ATOM 742 CB PRO A 50 45.200 -30.228 2.234 1.00 10.00 C ATOM 743 CG PRO A 50 45.706 -31.623 2.608 1.00 10.00 C ATOM 744 CD PRO A 50 47.214 -31.432 2.733 1.00 10.00 C ATOM 0 HA PRO A 50 46.363 -28.375 2.317 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.183 -30.067 2.590 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.185 -30.088 1.153 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.267 -31.972 3.542 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.456 -32.359 1.844 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.623 -32.058 3.526 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.722 -31.713 1.811 1.00 10.00 H new ATOM 752 N THR A 51 45.859 -29.324 5.352 1.00 10.00 N ATOM 753 CA THR A 51 45.502 -28.745 6.658 1.00 10.00 C ATOM 754 C THR A 51 46.482 -27.657 7.058 1.00 10.00 C ATOM 755 O THR A 51 46.043 -26.619 7.528 1.00 10.00 O ATOM 756 CB THR A 51 45.493 -29.837 7.723 1.00 10.00 C ATOM 757 OG1 THR A 51 44.365 -30.675 7.568 1.00 10.00 O ATOM 758 CG2 THR A 51 45.526 -29.312 9.157 1.00 10.00 C ATOM 0 H THR A 51 46.314 -30.234 5.416 1.00 10.00 H new ATOM 0 HA THR A 51 44.509 -28.303 6.574 1.00 10.00 H new ATOM 0 HB THR A 51 46.415 -30.396 7.566 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.377 -31.370 8.258 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.517 -30.152 9.852 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.432 -28.725 9.309 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.653 -28.685 9.335 1.00 10.00 H new ATOM 766 N ALA A 52 47.783 -27.833 6.843 1.00 10.00 N ATOM 767 CA ALA A 52 48.772 -26.771 6.997 1.00 10.00 C ATOM 768 C ALA A 52 48.432 -25.555 6.144 1.00 10.00 C ATOM 769 O ALA A 52 48.522 -24.420 6.614 1.00 10.00 O ATOM 770 CB ALA A 52 50.137 -27.373 6.635 1.00 10.00 C ATOM 0 H ALA A 52 48.184 -28.725 6.554 1.00 10.00 H new ATOM 0 HA ALA A 52 48.785 -26.404 8.023 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.909 -26.611 6.737 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.357 -28.204 7.305 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.115 -27.732 5.606 1.00 10.00 H new ATOM 776 N LEU A 53 48.000 -25.789 4.913 1.00 10.00 N ATOM 777 CA LEU A 53 47.684 -24.748 3.954 1.00 10.00 C ATOM 778 C LEU A 53 46.306 -24.144 4.230 1.00 10.00 C ATOM 779 O LEU A 53 46.150 -22.931 4.149 1.00 10.00 O ATOM 780 CB LEU A 53 47.862 -25.378 2.566 1.00 10.00 C ATOM 781 CG LEU A 53 48.065 -24.451 1.358 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.606 -23.072 1.698 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.109 -25.118 0.463 1.00 10.00 C ATOM 0 H LEU A 53 47.857 -26.731 4.548 1.00 10.00 H new ATOM 0 HA LEU A 53 48.349 -23.888 4.028 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.719 -26.050 2.615 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.985 -25.994 2.367 1.00 10.00 H new ATOM 0 HG LEU A 53 47.086 -24.308 0.900 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.716 -22.489 0.784 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.914 -22.565 2.370 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.576 -23.172 2.184 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.289 -24.495 -0.413 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.039 -25.241 1.018 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.745 -26.095 0.145 1.00 10.00 H new ATOM 795 N ALA A 54 45.335 -24.949 4.670 1.00 10.00 N ATOM 796 CA ALA A 54 44.053 -24.477 5.186 1.00 10.00 C ATOM 797 C ALA A 54 44.244 -23.602 6.434 1.00 10.00 C ATOM 798 O ALA A 54 43.620 -22.552 6.570 1.00 10.00 O ATOM 799 CB ALA A 54 43.180 -25.696 5.529 1.00 10.00 C ATOM 0 H ALA A 54 45.422 -25.965 4.676 1.00 10.00 H new ATOM 0 HA ALA A 54 43.568 -23.867 4.424 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.219 -25.358 5.916 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.020 -26.293 4.631 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.682 -26.302 6.283 1.00 10.00 H new ATOM 805 N ASN A 55 45.146 -24.019 7.323 1.00 10.00 N ATOM 806 CA ASN A 55 45.497 -23.332 8.557 1.00 10.00 C ATOM 807 C ASN A 55 46.165 -21.991 8.263 1.00 10.00 C ATOM 808 O ASN A 55 45.703 -20.949 8.715 1.00 10.00 O ATOM 809 CB ASN A 55 46.426 -24.263 9.350 1.00 10.00 C ATOM 810 CG ASN A 55 47.041 -23.665 10.587 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.368 -23.263 11.522 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.351 -23.638 10.621 1.00 10.00 N ATOM 0 H ASN A 55 45.672 -24.883 7.193 1.00 10.00 H new ATOM 0 HA ASN A 55 44.604 -23.109 9.141 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.863 -25.150 9.638 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.228 -24.595 8.691 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.832 -23.274 11.443 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.889 -23.981 9.825 1.00 10.00 H new ATOM 819 N TYR A 56 47.213 -22.017 7.441 1.00 10.00 N ATOM 820 CA TYR A 56 47.850 -20.812 6.902 1.00 10.00 C ATOM 821 C TYR A 56 46.865 -19.891 6.192 1.00 10.00 C ATOM 822 O TYR A 56 46.843 -18.713 6.515 1.00 10.00 O ATOM 823 CB TYR A 56 49.048 -21.240 6.042 1.00 10.00 C ATOM 824 CG TYR A 56 49.729 -20.226 5.147 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.275 -20.049 3.825 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.926 -19.614 5.568 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.035 -19.291 2.914 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.691 -18.860 4.658 1.00 10.00 C ATOM 829 CZ TYR A 56 51.258 -18.716 3.320 1.00 10.00 C ATOM 830 OH TYR A 56 52.008 -18.018 2.424 1.00 10.00 O ATOM 0 H TYR A 56 47.650 -22.883 7.126 1.00 10.00 H new ATOM 0 HA TYR A 56 48.224 -20.195 7.719 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.806 -21.641 6.715 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.717 -22.063 5.409 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.343 -20.495 3.510 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.257 -19.723 6.590 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.682 -19.149 1.903 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.609 -18.392 4.982 1.00 10.00 H new ATOM 0 HH TYR A 56 52.819 -17.687 2.864 1.00 10.00 H new ATOM 840 N GLN A 57 45.975 -20.391 5.338 1.00 10.00 N ATOM 841 CA GLN A 57 44.972 -19.545 4.675 1.00 10.00 C ATOM 842 C GLN A 57 43.963 -18.936 5.667 1.00 10.00 C ATOM 843 O GLN A 57 43.607 -17.763 5.539 1.00 10.00 O ATOM 844 CB GLN A 57 44.243 -20.324 3.565 1.00 10.00 C ATOM 845 CG GLN A 57 45.094 -20.505 2.294 1.00 10.00 C ATOM 846 CD GLN A 57 45.360 -19.217 1.508 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.767 -18.166 1.718 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.270 -19.247 0.556 1.00 10.00 N ATOM 0 H GLN A 57 45.924 -21.378 5.085 1.00 10.00 H new ATOM 0 HA GLN A 57 45.513 -18.714 4.222 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.957 -21.304 3.946 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.322 -19.801 3.307 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.050 -20.947 2.574 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.594 -21.217 1.638 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.777 -20.111 0.362 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.467 -18.407 0.013 1.00 10.00 H new ATOM 857 N MET A 58 43.536 -19.687 6.689 1.00 10.00 N ATOM 858 CA MET A 58 42.624 -19.216 7.739 1.00 10.00 C ATOM 859 C MET A 58 43.262 -18.154 8.639 1.00 10.00 C ATOM 860 O MET A 58 42.677 -17.093 8.866 1.00 10.00 O ATOM 861 CB MET A 58 42.158 -20.424 8.563 1.00 10.00 C ATOM 862 CG MET A 58 41.197 -20.054 9.700 1.00 10.00 C ATOM 863 SD MET A 58 40.693 -21.438 10.760 1.00 10.00 S ATOM 864 CE MET A 58 42.253 -21.776 11.626 1.00 10.00 C ATOM 0 H MET A 58 43.820 -20.659 6.812 1.00 10.00 H new ATOM 0 HA MET A 58 41.770 -18.734 7.263 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.668 -21.138 7.901 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.030 -20.925 8.983 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.669 -19.293 10.322 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.304 -19.603 9.268 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.070 -22.465 12.451 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.965 -22.222 10.932 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.662 -20.844 12.016 1.00 10.00 H new ATOM 874 N ILE A 59 44.476 -18.408 9.127 1.00 10.00 N ATOM 875 CA ILE A 59 45.228 -17.469 9.943 1.00 10.00 C ATOM 876 C ILE A 59 45.615 -16.251 9.103 1.00 10.00 C ATOM 877 O ILE A 59 45.575 -15.138 9.612 1.00 10.00 O ATOM 878 CB ILE A 59 46.437 -18.195 10.561 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.998 -19.309 11.542 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.325 -17.225 11.339 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.175 -20.162 12.021 1.00 10.00 C ATOM 0 H ILE A 59 44.968 -19.286 8.961 1.00 10.00 H new ATOM 0 HA ILE A 59 44.622 -17.095 10.768 1.00 10.00 H new ATOM 0 HB ILE A 59 46.986 -18.630 9.726 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.506 -18.858 12.403 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.263 -19.950 11.055 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.170 -17.766 11.764 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.692 -16.449 10.667 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.747 -16.767 12.142 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.814 -20.928 12.707 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.652 -20.637 11.164 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.899 -19.528 12.534 1.00 10.00 H new ATOM 893 N MET A 60 45.919 -16.419 7.813 1.00 10.00 N ATOM 894 CA MET A 60 46.219 -15.305 6.911 1.00 10.00 C ATOM 895 C MET A 60 44.998 -14.428 6.613 1.00 10.00 C ATOM 896 O MET A 60 45.122 -13.207 6.526 1.00 10.00 O ATOM 897 CB MET A 60 46.850 -15.812 5.612 1.00 10.00 C ATOM 898 CG MET A 60 47.632 -14.685 4.946 1.00 10.00 C ATOM 899 SD MET A 60 48.708 -15.224 3.597 1.00 10.00 S ATOM 900 CE MET A 60 49.993 -15.981 4.625 1.00 10.00 C ATOM 0 H MET A 60 45.964 -17.334 7.364 1.00 10.00 H new ATOM 0 HA MET A 60 46.937 -14.672 7.432 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.512 -16.652 5.822 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.075 -16.177 4.938 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.928 -13.948 4.561 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.238 -14.183 5.701 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.899 -16.115 4.035 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.206 -15.334 5.476 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.648 -16.951 4.984 1.00 10.00 H new ATOM 910 N SER A 61 43.813 -15.034 6.517 1.00 10.00 N ATOM 911 CA SER A 61 42.535 -14.319 6.415 1.00 10.00 C ATOM 912 C SER A 61 42.291 -13.438 7.647 1.00 10.00 C ATOM 913 O SER A 61 41.970 -12.256 7.512 1.00 10.00 O ATOM 914 CB SER A 61 41.375 -15.311 6.226 1.00 10.00 C ATOM 915 OG SER A 61 41.469 -15.949 4.962 1.00 10.00 O ATOM 0 H SER A 61 43.710 -16.049 6.508 1.00 10.00 H new ATOM 0 HA SER A 61 42.585 -13.669 5.541 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.394 -16.058 7.020 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.423 -14.786 6.305 1.00 10.00 H new ATOM 0 HG SER A 61 42.181 -16.622 4.988 1.00 10.00 H new ATOM 921 N GLU A 62 42.522 -13.974 8.851 1.00 10.00 N ATOM 922 CA GLU A 62 42.449 -13.212 10.105 1.00 10.00 C ATOM 923 C GLU A 62 43.559 -12.156 10.222 1.00 10.00 C ATOM 924 O GLU A 62 43.296 -11.016 10.608 1.00 10.00 O ATOM 925 CB GLU A 62 42.486 -14.199 11.286 1.00 10.00 C ATOM 926 CG GLU A 62 42.220 -13.561 12.660 1.00 10.00 C ATOM 927 CD GLU A 62 40.815 -12.932 12.785 1.00 10.00 C ATOM 928 OE1 GLU A 62 39.816 -13.557 12.353 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.694 -11.818 13.348 1.00 10.00 O ATOM 0 H GLU A 62 42.767 -14.955 8.984 1.00 10.00 H new ATOM 0 HA GLU A 62 41.512 -12.656 10.117 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.746 -14.980 11.113 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.462 -14.684 11.308 1.00 10.00 H new ATOM 0 HG2 GLU A 62 42.340 -14.320 13.433 1.00 10.00 H new ATOM 0 HG3 GLU A 62 42.971 -12.794 12.847 1.00 10.00 H new ATOM 936 N TYR A 63 44.785 -12.506 9.828 1.00 10.00 N ATOM 937 CA TYR A 63 45.950 -11.622 9.814 1.00 10.00 C ATOM 938 C TYR A 63 45.713 -10.379 8.963 1.00 10.00 C ATOM 939 O TYR A 63 45.910 -9.257 9.427 1.00 10.00 O ATOM 940 CB TYR A 63 47.181 -12.388 9.305 1.00 10.00 C ATOM 941 CG TYR A 63 48.391 -11.524 9.022 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.073 -10.888 10.075 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.833 -11.366 7.692 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.206 -10.103 9.798 1.00 10.00 C ATOM 945 CE2 TYR A 63 49.979 -10.600 7.417 1.00 10.00 C ATOM 946 CZ TYR A 63 50.671 -9.969 8.472 1.00 10.00 C ATOM 947 OH TYR A 63 51.781 -9.229 8.210 1.00 10.00 O ATOM 0 H TYR A 63 45.001 -13.447 9.498 1.00 10.00 H new ATOM 0 HA TYR A 63 46.125 -11.287 10.836 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.454 -13.141 10.044 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.910 -12.920 8.393 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.728 -11.002 11.092 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.290 -11.834 6.884 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.722 -9.601 10.603 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.329 -10.495 6.401 1.00 10.00 H new ATOM 0 HH TYR A 63 52.406 -9.299 8.962 1.00 10.00 H new ATOM 957 N ASN A 64 45.251 -10.580 7.730 1.00 10.00 N ATOM 958 CA ASN A 64 45.051 -9.499 6.775 1.00 10.00 C ATOM 959 C ASN A 64 43.929 -8.552 7.240 1.00 10.00 C ATOM 960 O ASN A 64 44.070 -7.329 7.180 1.00 10.00 O ATOM 961 CB ASN A 64 44.752 -10.116 5.397 1.00 10.00 C ATOM 962 CG ASN A 64 44.550 -9.063 4.318 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.350 -8.155 4.139 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.478 -9.144 3.562 1.00 10.00 N ATOM 0 H ASN A 64 45.005 -11.501 7.367 1.00 10.00 H new ATOM 0 HA ASN A 64 45.953 -8.892 6.703 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.574 -10.772 5.110 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.858 -10.736 5.467 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.316 -8.452 2.830 1.00 10.00 H new ATOM 0 HD22 ASN A 64 42.808 -9.899 3.707 1.00 10.00 H new ATOM 1108 N VAL A 74 43.811 3.354 14.314 1.00 10.00 N ATOM 1109 CA VAL A 74 44.755 4.463 14.483 1.00 10.00 C ATOM 1110 C VAL A 74 44.266 5.721 13.749 1.00 10.00 C ATOM 1111 O VAL A 74 44.248 6.802 14.341 1.00 10.00 O ATOM 1112 CB VAL A 74 46.141 3.996 13.995 1.00 10.00 C ATOM 1113 CG1 VAL A 74 47.118 5.142 13.767 1.00 10.00 C ATOM 1114 CG2 VAL A 74 46.764 3.040 15.022 1.00 10.00 C ATOM 0 HA VAL A 74 44.828 4.741 15.534 1.00 10.00 H new ATOM 0 HB VAL A 74 45.971 3.501 13.039 1.00 10.00 H new ATOM 0 HG11 VAL A 74 48.073 4.743 13.425 1.00 10.00 H new ATOM 0 HG12 VAL A 74 46.716 5.818 13.013 1.00 10.00 H new ATOM 0 HG13 VAL A 74 47.265 5.686 14.700 1.00 10.00 H new ATOM 0 HG21 VAL A 74 47.743 2.715 14.669 1.00 10.00 H new ATOM 0 HG22 VAL A 74 46.874 3.554 15.977 1.00 10.00 H new ATOM 0 HG23 VAL A 74 46.118 2.172 15.150 1.00 10.00 H new ATOM 1124 N LYS A 75 43.803 5.585 12.496 1.00 10.00 N ATOM 1125 CA LYS A 75 43.240 6.678 11.673 1.00 10.00 C ATOM 1126 C LYS A 75 42.085 7.415 12.365 1.00 10.00 C ATOM 1127 O LYS A 75 41.997 8.640 12.284 1.00 10.00 O ATOM 1128 CB LYS A 75 42.786 6.088 10.323 1.00 10.00 C ATOM 1129 CG LYS A 75 42.266 7.153 9.341 1.00 10.00 C ATOM 1130 CD LYS A 75 41.762 6.557 8.016 1.00 10.00 C ATOM 1131 CE LYS A 75 40.587 5.573 8.149 1.00 10.00 C ATOM 1132 NZ LYS A 75 39.384 6.187 8.778 1.00 10.00 N ATOM 0 H LYS A 75 43.808 4.688 12.010 1.00 10.00 H new ATOM 0 HA LYS A 75 44.018 7.426 11.520 1.00 10.00 H new ATOM 0 HB2 LYS A 75 43.622 5.558 9.866 1.00 10.00 H new ATOM 0 HB3 LYS A 75 42.001 5.353 10.501 1.00 10.00 H new ATOM 0 HG2 LYS A 75 41.457 7.710 9.813 1.00 10.00 H new ATOM 0 HG3 LYS A 75 43.064 7.866 9.132 1.00 10.00 H new ATOM 0 HD2 LYS A 75 41.460 7.373 7.360 1.00 10.00 H new ATOM 0 HD3 LYS A 75 42.591 6.045 7.527 1.00 10.00 H new ATOM 0 HE2 LYS A 75 40.322 5.196 7.161 1.00 10.00 H new ATOM 0 HE3 LYS A 75 40.903 4.715 8.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 38.529 5.704 8.436 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 39.446 6.091 9.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 39.337 7.195 8.526 1.00 10.00 H new ATOM 1146 N SER A 76 41.232 6.669 13.069 1.00 10.00 N ATOM 1147 CA SER A 76 39.971 7.155 13.651 1.00 10.00 C ATOM 1148 C SER A 76 39.972 7.174 15.189 1.00 10.00 C ATOM 1149 O SER A 76 38.913 7.331 15.795 1.00 10.00 O ATOM 1150 CB SER A 76 38.809 6.304 13.120 1.00 10.00 C ATOM 1151 OG SER A 76 38.739 6.352 11.698 1.00 10.00 O ATOM 0 H SER A 76 41.400 5.681 13.258 1.00 10.00 H new ATOM 0 HA SER A 76 39.851 8.194 13.343 1.00 10.00 H new ATOM 0 HB2 SER A 76 38.934 5.271 13.445 1.00 10.00 H new ATOM 0 HB3 SER A 76 37.871 6.661 13.545 1.00 10.00 H new ATOM 0 HG SER A 76 37.991 5.800 11.388 1.00 10.00 H new ATOM 1157 N MET A 77 41.129 7.020 15.847 1.00 10.00 N ATOM 1158 CA MET A 77 41.245 6.862 17.310 1.00 10.00 C ATOM 1159 C MET A 77 40.495 7.942 18.113 1.00 10.00 C ATOM 1160 O MET A 77 39.765 7.622 19.054 1.00 10.00 O ATOM 1161 CB MET A 77 42.735 6.834 17.697 1.00 10.00 C ATOM 1162 CG MET A 77 42.944 6.426 19.160 1.00 10.00 C ATOM 1163 SD MET A 77 44.680 6.289 19.675 1.00 10.00 S ATOM 1164 CE MET A 77 45.155 8.042 19.719 1.00 10.00 C ATOM 0 H MET A 77 42.031 7.001 15.371 1.00 10.00 H new ATOM 0 HA MET A 77 40.765 5.919 17.571 1.00 10.00 H new ATOM 0 HB2 MET A 77 43.265 6.137 17.048 1.00 10.00 H new ATOM 0 HB3 MET A 77 43.171 7.819 17.530 1.00 10.00 H new ATOM 0 HG2 MET A 77 42.447 7.155 19.800 1.00 10.00 H new ATOM 0 HG3 MET A 77 42.454 5.467 19.328 1.00 10.00 H new ATOM 0 HE1 MET A 77 46.189 8.131 20.054 1.00 10.00 H new ATOM 0 HE2 MET A 77 45.059 8.470 18.721 1.00 10.00 H new ATOM 0 HE3 MET A 77 44.503 8.578 20.408 1.00 10.00 H new ATOM 1174 N LYS A 78 40.629 9.214 17.713 1.00 10.00 N ATOM 1175 CA LYS A 78 39.956 10.367 18.343 1.00 10.00 C ATOM 1176 C LYS A 78 38.423 10.345 18.229 1.00 10.00 C ATOM 1177 O LYS A 78 37.737 10.872 19.105 1.00 10.00 O ATOM 1178 CB LYS A 78 40.554 11.678 17.793 1.00 10.00 C ATOM 1179 CG LYS A 78 40.281 11.919 16.294 1.00 10.00 C ATOM 1180 CD LYS A 78 41.063 13.113 15.725 1.00 10.00 C ATOM 1181 CE LYS A 78 40.646 14.446 16.362 1.00 10.00 C ATOM 1182 NZ LYS A 78 41.385 15.589 15.764 1.00 10.00 N ATOM 0 H LYS A 78 41.220 9.480 16.926 1.00 10.00 H new ATOM 0 HA LYS A 78 40.148 10.299 19.414 1.00 10.00 H new ATOM 0 HB2 LYS A 78 40.151 12.515 18.363 1.00 10.00 H new ATOM 0 HB3 LYS A 78 41.631 11.670 17.958 1.00 10.00 H new ATOM 0 HG2 LYS A 78 40.542 11.021 15.734 1.00 10.00 H new ATOM 0 HG3 LYS A 78 39.214 12.087 16.147 1.00 10.00 H new ATOM 0 HD2 LYS A 78 42.129 12.955 15.886 1.00 10.00 H new ATOM 0 HD3 LYS A 78 40.908 13.165 14.647 1.00 10.00 H new ATOM 0 HE2 LYS A 78 39.574 14.595 16.229 1.00 10.00 H new ATOM 0 HE3 LYS A 78 40.833 14.412 17.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 41.080 16.474 16.216 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 42.406 15.458 15.913 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 41.187 15.635 14.744 1.00 10.00 H new ATOM 1196 N ASP A 79 37.881 9.714 17.187 1.00 10.00 N ATOM 1197 CA ASP A 79 36.439 9.513 17.000 1.00 10.00 C ATOM 1198 C ASP A 79 35.945 8.260 17.740 1.00 10.00 C ATOM 1199 O ASP A 79 34.891 8.298 18.377 1.00 10.00 O ATOM 1200 CB ASP A 79 36.116 9.396 15.502 1.00 10.00 C ATOM 1201 CG ASP A 79 36.390 10.708 14.748 1.00 10.00 C ATOM 1202 OD1 ASP A 79 35.616 11.680 14.925 1.00 10.00 O ATOM 1203 OD2 ASP A 79 37.365 10.765 13.961 1.00 10.00 O ATOM 0 H ASP A 79 38.442 9.319 16.432 1.00 10.00 H new ATOM 0 HA ASP A 79 35.923 10.377 17.419 1.00 10.00 H new ATOM 0 HB2 ASP A 79 36.712 8.595 15.064 1.00 10.00 H new ATOM 0 HB3 ASP A 79 35.069 9.118 15.378 1.00 10.00 H new ATOM 1208 N ILE A 80 36.719 7.169 17.716 1.00 10.00 N ATOM 1209 CA ILE A 80 36.434 5.915 18.436 1.00 10.00 C ATOM 1210 C ILE A 80 36.335 6.151 19.949 1.00 10.00 C ATOM 1211 O ILE A 80 35.432 5.628 20.603 1.00 10.00 O ATOM 1212 CB ILE A 80 37.502 4.850 18.087 1.00 10.00 C ATOM 1213 CG1 ILE A 80 37.360 4.432 16.602 1.00 10.00 C ATOM 1214 CG2 ILE A 80 37.402 3.604 18.988 1.00 10.00 C ATOM 1215 CD1 ILE A 80 38.572 3.679 16.042 1.00 10.00 C ATOM 0 H ILE A 80 37.586 7.129 17.181 1.00 10.00 H new ATOM 0 HA ILE A 80 35.463 5.539 18.113 1.00 10.00 H new ATOM 0 HB ILE A 80 38.479 5.301 18.258 1.00 10.00 H new ATOM 0 HG12 ILE A 80 36.476 3.804 16.496 1.00 10.00 H new ATOM 0 HG13 ILE A 80 37.191 5.325 16.000 1.00 10.00 H new ATOM 0 HG21 ILE A 80 38.172 2.887 18.704 1.00 10.00 H new ATOM 0 HG22 ILE A 80 37.544 3.895 20.029 1.00 10.00 H new ATOM 0 HG23 ILE A 80 36.419 3.147 18.870 1.00 10.00 H new ATOM 0 HD11 ILE A 80 38.391 3.423 14.998 1.00 10.00 H new ATOM 0 HD12 ILE A 80 39.457 4.311 16.113 1.00 10.00 H new ATOM 0 HD13 ILE A 80 38.731 2.767 16.617 1.00 10.00 H new ATOM 1227 N ASP A 81 37.224 6.980 20.500 1.00 10.00 N ATOM 1228 CA ASP A 81 37.227 7.348 21.921 1.00 10.00 C ATOM 1229 C ASP A 81 35.940 8.080 22.361 1.00 10.00 C ATOM 1230 O ASP A 81 35.444 7.863 23.468 1.00 10.00 O ATOM 1231 CB ASP A 81 38.472 8.197 22.212 1.00 10.00 C ATOM 1232 CG ASP A 81 38.594 8.546 23.706 1.00 10.00 C ATOM 1233 OD1 ASP A 81 38.927 7.643 24.512 1.00 10.00 O ATOM 1234 OD2 ASP A 81 38.384 9.726 24.074 1.00 10.00 O ATOM 0 H ASP A 81 37.973 7.421 19.966 1.00 10.00 H new ATOM 0 HA ASP A 81 37.256 6.428 22.506 1.00 10.00 H new ATOM 0 HB2 ASP A 81 39.363 7.656 21.892 1.00 10.00 H new ATOM 0 HB3 ASP A 81 38.429 9.116 21.627 1.00 10.00 H new ATOM 1239 N SER A 82 35.364 8.901 21.476 1.00 10.00 N ATOM 1240 CA SER A 82 34.066 9.567 21.683 1.00 10.00 C ATOM 1241 C SER A 82 32.876 8.617 21.449 1.00 10.00 C ATOM 1242 O SER A 82 31.872 8.671 22.165 1.00 10.00 O ATOM 1243 CB SER A 82 33.965 10.773 20.741 1.00 10.00 C ATOM 1244 OG SER A 82 32.835 11.571 21.060 1.00 10.00 O ATOM 0 H SER A 82 35.792 9.128 20.578 1.00 10.00 H new ATOM 0 HA SER A 82 34.017 9.891 22.723 1.00 10.00 H new ATOM 0 HB2 SER A 82 34.872 11.374 20.814 1.00 10.00 H new ATOM 0 HB3 SER A 82 33.893 10.429 19.709 1.00 10.00 H new ATOM 0 HG SER A 82 32.791 12.335 20.448 1.00 10.00 H new ATOM 1250 N SER A 83 33.005 7.702 20.483 1.00 10.00 N ATOM 1251 CA SER A 83 31.981 6.723 20.072 1.00 10.00 C ATOM 1252 C SER A 83 31.874 5.486 20.987 1.00 10.00 C ATOM 1253 O SER A 83 31.156 4.539 20.654 1.00 10.00 O ATOM 1254 CB SER A 83 32.248 6.262 18.629 1.00 10.00 C ATOM 1255 OG SER A 83 32.291 7.361 17.732 1.00 10.00 O ATOM 0 H SER A 83 33.863 7.616 19.939 1.00 10.00 H new ATOM 0 HA SER A 83 31.028 7.246 20.151 1.00 10.00 H new ATOM 0 HB2 SER A 83 33.193 5.720 18.588 1.00 10.00 H new ATOM 0 HB3 SER A 83 31.468 5.567 18.318 1.00 10.00 H new ATOM 0 HG SER A 83 33.157 7.813 17.809 1.00 10.00 H new