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= -0.24 X(o=-0.19,f=0) USER MOD Set 1.2: A 63 TYR OH : rot 21:sc= 0.0474 USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -164:sc= -2 (180deg=-3.15!) USER MOD Set 3.1: A 42 ASN : amide:sc= -0.0331 X(o=-0.24,f=-0.3) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.211 X(o=-0.24,f=-0.19) 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=-0.099) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 THR OG1 : rot 61:sc= 0.538 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.1!) 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 57 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.026) USER MOD Single : A 58 MET CE :methyl 168:sc= 0 (180deg=-0.144) USER MOD Single : A 61 SER OG : rot 75:sc= 0.977 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 (180deg=-0.00921) 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+ 158:sc= 1.2 (180deg=0.831) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -75:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.478 -12.453 16.465 1.00 10.00 N ATOM 462 CA LEU A 32 48.834 -12.982 15.254 1.00 10.00 C ATOM 463 C LEU A 32 49.861 -13.224 14.134 1.00 10.00 C ATOM 464 O LEU A 32 49.855 -14.261 13.474 1.00 10.00 O ATOM 465 CB LEU A 32 47.774 -11.948 14.817 1.00 10.00 C ATOM 466 CG LEU A 32 46.556 -12.449 14.020 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.836 -11.220 13.460 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.890 -13.384 12.861 1.00 10.00 C ATOM 0 HA LEU A 32 48.371 -13.947 15.461 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.404 -11.451 15.714 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.276 -11.190 14.216 1.00 10.00 H new ATOM 0 HG LEU A 32 45.945 -13.033 14.708 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.965 -11.538 12.888 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.516 -10.580 14.282 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.514 -10.666 12.811 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.970 -13.684 12.359 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.538 -12.868 12.152 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.401 -14.268 13.242 1.00 10.00 H new ATOM 480 N ASN A 33 50.798 -12.290 13.956 1.00 10.00 N ATOM 481 CA ASN A 33 51.897 -12.434 12.990 1.00 10.00 C ATOM 482 C ASN A 33 52.803 -13.636 13.331 1.00 10.00 C ATOM 483 O ASN A 33 53.255 -14.346 12.431 1.00 10.00 O ATOM 484 CB ASN A 33 52.691 -11.114 12.911 1.00 10.00 C ATOM 485 CG ASN A 33 53.489 -10.931 11.622 1.00 10.00 C ATOM 486 OD1 ASN A 33 53.462 -9.876 11.004 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.221 -11.918 11.156 1.00 10.00 N ATOM 0 H ASN A 33 50.819 -11.412 14.475 1.00 10.00 H new ATOM 0 HA ASN A 33 51.476 -12.642 12.007 1.00 10.00 H new ATOM 0 HB2 ASN A 33 51.997 -10.280 13.015 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.376 -11.066 13.757 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.753 -11.796 10.294 1.00 10.00 H new ATOM 0 HD22 ASN A 33 54.257 -12.806 11.656 1.00 10.00 H new ATOM 494 N LYS A 34 53.039 -13.893 14.624 1.00 10.00 N ATOM 495 CA LYS A 34 53.743 -15.090 15.123 1.00 10.00 C ATOM 496 C LYS A 34 52.941 -16.374 14.872 1.00 10.00 C ATOM 497 O LYS A 34 53.513 -17.358 14.408 1.00 10.00 O ATOM 498 CB LYS A 34 54.081 -14.876 16.609 1.00 10.00 C ATOM 499 CG LYS A 34 54.763 -16.071 17.304 1.00 10.00 C ATOM 500 CD LYS A 34 54.896 -15.854 18.822 1.00 10.00 C ATOM 501 CE LYS A 34 53.514 -15.839 19.497 1.00 10.00 C ATOM 502 NZ LYS A 34 53.580 -15.502 20.940 1.00 10.00 N ATOM 0 H LYS A 34 52.742 -13.265 15.370 1.00 10.00 H new ATOM 0 HA LYS A 34 54.673 -15.225 14.570 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.732 -14.006 16.696 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.161 -14.641 17.144 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.187 -16.977 17.116 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.751 -16.226 16.872 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.508 -16.646 19.254 1.00 10.00 H new ATOM 0 HD3 LYS A 34 55.410 -14.912 19.015 1.00 10.00 H new ATOM 0 HE2 LYS A 34 52.875 -15.116 18.989 1.00 10.00 H new ATOM 0 HE3 LYS A 34 53.047 -16.817 19.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 52.621 -15.507 21.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 54.166 -16.205 21.434 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 54.000 -14.558 21.057 1.00 10.00 H new ATOM 516 N GLN A 35 51.624 -16.355 15.090 1.00 10.00 N ATOM 517 CA GLN A 35 50.725 -17.475 14.760 1.00 10.00 C ATOM 518 C GLN A 35 50.764 -17.816 13.264 1.00 10.00 C ATOM 519 O GLN A 35 50.791 -18.986 12.887 1.00 10.00 O ATOM 520 CB GLN A 35 49.271 -17.174 15.171 1.00 10.00 C ATOM 521 CG GLN A 35 49.035 -17.150 16.688 1.00 10.00 C ATOM 522 CD GLN A 35 47.578 -16.842 17.042 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.638 -17.366 16.457 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.317 -15.993 18.012 1.00 10.00 N ATOM 0 H GLN A 35 51.143 -15.557 15.504 1.00 10.00 H new ATOM 0 HA GLN A 35 51.086 -18.333 15.327 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.980 -16.209 14.755 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.617 -17.924 14.725 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.314 -18.114 17.113 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.684 -16.401 17.143 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.082 -15.543 18.515 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.350 -15.785 18.261 1.00 10.00 H new ATOM 533 N LEU A 36 50.814 -16.798 12.404 1.00 10.00 N ATOM 534 CA LEU A 36 50.895 -16.974 10.954 1.00 10.00 C ATOM 535 C LEU A 36 52.256 -17.497 10.496 1.00 10.00 C ATOM 536 O LEU A 36 52.307 -18.392 9.658 1.00 10.00 O ATOM 537 CB LEU A 36 50.531 -15.671 10.261 1.00 10.00 C ATOM 538 CG LEU A 36 50.380 -15.884 8.746 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.263 -16.835 8.304 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.029 -14.531 8.179 1.00 10.00 C ATOM 0 H LEU A 36 50.799 -15.821 12.697 1.00 10.00 H new ATOM 0 HA LEU A 36 50.175 -17.742 10.669 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.600 -15.282 10.673 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.301 -14.924 10.453 1.00 10.00 H new ATOM 0 HG LEU A 36 51.312 -16.332 8.400 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.254 -16.905 7.216 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.437 -17.823 8.730 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.302 -16.454 8.651 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.906 -14.610 7.099 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.099 -14.180 8.625 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.828 -13.824 8.403 1.00 10.00 H new ATOM 552 N GLN A 37 53.352 -16.993 11.064 1.00 10.00 N ATOM 553 CA GLN A 37 54.690 -17.526 10.794 1.00 10.00 C ATOM 554 C GLN A 37 54.835 -18.977 11.288 1.00 10.00 C ATOM 555 O GLN A 37 55.501 -19.787 10.646 1.00 10.00 O ATOM 556 CB GLN A 37 55.731 -16.585 11.426 1.00 10.00 C ATOM 557 CG GLN A 37 57.179 -16.945 11.052 1.00 10.00 C ATOM 558 CD GLN A 37 58.215 -15.988 11.650 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.944 -14.848 12.010 1.00 10.00 O ATOM 560 NE2 GLN A 37 59.455 -16.412 11.787 1.00 10.00 N ATOM 0 H GLN A 37 53.340 -16.211 11.719 1.00 10.00 H new ATOM 0 HA GLN A 37 54.858 -17.564 9.718 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.525 -15.562 11.111 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.625 -16.612 12.510 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.393 -17.959 11.391 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.278 -16.944 9.966 1.00 10.00 H new ATOM 0 HE21 GLN A 37 59.706 -17.357 11.495 1.00 10.00 H new ATOM 0 HE22 GLN A 37 60.164 -15.796 12.185 1.00 10.00 H new ATOM 569 N ASP A 38 54.154 -19.344 12.377 1.00 10.00 N ATOM 570 CA ASP A 38 54.043 -20.738 12.814 1.00 10.00 C ATOM 571 C ASP A 38 53.209 -21.586 11.839 1.00 10.00 C ATOM 572 O ASP A 38 53.632 -22.687 11.487 1.00 10.00 O ATOM 573 CB ASP A 38 53.502 -20.815 14.247 1.00 10.00 C ATOM 574 CG ASP A 38 53.632 -22.237 14.819 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.777 -22.695 15.046 1.00 10.00 O ATOM 576 OD2 ASP A 38 52.593 -22.892 15.071 1.00 10.00 O ATOM 0 H ASP A 38 53.664 -18.683 12.980 1.00 10.00 H new ATOM 0 HA ASP A 38 55.045 -21.166 12.811 1.00 10.00 H new ATOM 0 HB2 ASP A 38 54.046 -20.115 14.881 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.456 -20.510 14.260 1.00 10.00 H new ATOM 581 N ALA A 39 52.104 -21.048 11.301 1.00 10.00 N ATOM 582 CA ALA A 39 51.350 -21.700 10.220 1.00 10.00 C ATOM 583 C ALA A 39 52.241 -21.951 9.005 1.00 10.00 C ATOM 584 O ALA A 39 52.259 -23.049 8.459 1.00 10.00 O ATOM 585 CB ALA A 39 50.117 -20.890 9.774 1.00 10.00 C ATOM 0 H ALA A 39 51.710 -20.156 11.600 1.00 10.00 H new ATOM 0 HA ALA A 39 51.001 -22.647 10.632 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.602 -21.422 8.974 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.441 -20.762 10.619 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.435 -19.912 9.413 1.00 10.00 H new ATOM 591 N GLN A 40 53.015 -20.936 8.627 1.00 10.00 N ATOM 592 CA GLN A 40 53.954 -20.949 7.515 1.00 10.00 C ATOM 593 C GLN A 40 55.090 -21.948 7.737 1.00 10.00 C ATOM 594 O GLN A 40 55.580 -22.487 6.760 1.00 10.00 O ATOM 595 CB GLN A 40 54.501 -19.520 7.335 1.00 10.00 C ATOM 596 CG GLN A 40 55.191 -19.299 5.979 1.00 10.00 C ATOM 597 CD GLN A 40 55.682 -17.862 5.782 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.793 -17.059 6.702 1.00 10.00 O ATOM 599 NE2 GLN A 40 55.998 -17.472 4.565 1.00 10.00 N ATOM 0 H GLN A 40 53.001 -20.040 9.114 1.00 10.00 H new ATOM 0 HA GLN A 40 53.437 -21.272 6.611 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.681 -18.809 7.438 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.210 -19.307 8.135 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.037 -19.981 5.893 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.496 -19.552 5.179 1.00 10.00 H new ATOM 0 HE21 GLN A 40 55.914 -18.122 3.783 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.327 -16.520 4.404 1.00 10.00 H new ATOM 608 N ALA A 41 55.489 -22.242 8.978 1.00 10.00 N ATOM 609 CA ALA A 41 56.416 -23.335 9.307 1.00 10.00 C ATOM 610 C ALA A 41 55.767 -24.724 9.355 1.00 10.00 C ATOM 611 O ALA A 41 56.406 -25.687 8.927 1.00 10.00 O ATOM 612 CB ALA A 41 57.173 -22.999 10.589 1.00 10.00 C ATOM 0 H ALA A 41 55.174 -21.721 9.796 1.00 10.00 H new ATOM 0 HA ALA A 41 57.126 -23.409 8.483 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.859 -23.811 10.830 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.737 -22.077 10.447 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.464 -22.868 11.407 1.00 10.00 H new ATOM 618 N ASN A 42 54.507 -24.858 9.786 1.00 10.00 N ATOM 619 CA ASN A 42 53.780 -26.119 9.619 1.00 10.00 C ATOM 620 C ASN A 42 53.648 -26.401 8.111 1.00 10.00 C ATOM 621 O ASN A 42 53.770 -27.540 7.659 1.00 10.00 O ATOM 622 CB ASN A 42 52.390 -26.071 10.289 1.00 10.00 C ATOM 623 CG ASN A 42 52.325 -25.536 11.714 1.00 10.00 C ATOM 624 OD1 ASN A 42 51.405 -24.816 12.073 1.00 10.00 O ATOM 625 ND2 ASN A 42 53.247 -25.892 12.581 1.00 10.00 N ATOM 0 H ASN A 42 53.977 -24.119 10.247 1.00 10.00 H new ATOM 0 HA ASN A 42 54.334 -26.921 10.107 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.736 -25.459 9.668 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.979 -27.080 10.287 1.00 10.00 H new ATOM 0 HD21 ASN A 42 53.192 -25.567 13.546 1.00 10.00 H new ATOM 0 HD22 ASN A 42 54.018 -26.493 12.288 1.00 10.00 H new ATOM 632 N LEU A 43 53.487 -25.327 7.330 1.00 10.00 N ATOM 633 CA LEU A 43 53.550 -25.323 5.890 1.00 10.00 C ATOM 634 C LEU A 43 54.965 -25.538 5.361 1.00 10.00 C ATOM 635 O LEU A 43 55.132 -26.256 4.400 1.00 10.00 O ATOM 636 CB LEU A 43 52.911 -24.017 5.371 1.00 10.00 C ATOM 637 CG LEU A 43 52.263 -24.220 4.016 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.050 -25.109 4.211 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.756 -22.936 3.385 1.00 10.00 C ATOM 0 H LEU A 43 53.301 -24.401 7.716 1.00 10.00 H new ATOM 0 HA LEU A 43 52.982 -26.172 5.508 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.165 -23.667 6.084 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.673 -23.241 5.299 1.00 10.00 H new ATOM 0 HG LEU A 43 53.025 -24.644 3.362 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.561 -25.274 3.251 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.364 -26.066 4.627 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.352 -24.627 4.895 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.305 -23.159 2.418 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.010 -22.480 4.036 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.588 -22.245 3.247 1.00 10.00 H new ATOM 651 N THR A 44 56.017 -25.033 5.989 1.00 10.00 N ATOM 652 CA THR A 44 57.389 -25.274 5.512 1.00 10.00 C ATOM 653 C THR A 44 57.732 -26.762 5.575 1.00 10.00 C ATOM 654 O THR A 44 58.392 -27.297 4.680 1.00 10.00 O ATOM 655 CB THR A 44 58.436 -24.480 6.303 1.00 10.00 C ATOM 656 OG1 THR A 44 58.372 -23.109 5.979 1.00 10.00 O ATOM 657 CG2 THR A 44 59.843 -24.944 5.973 1.00 10.00 C ATOM 0 H THR A 44 55.957 -24.455 6.827 1.00 10.00 H new ATOM 0 HA THR A 44 57.418 -24.931 4.478 1.00 10.00 H new ATOM 0 HB THR A 44 58.218 -24.643 7.358 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.484 -22.761 6.205 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.562 -24.362 6.549 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.946 -26.000 6.224 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.032 -24.804 4.909 1.00 10.00 H new ATOM 665 N LYS A 45 57.263 -27.442 6.626 1.00 10.00 N ATOM 666 CA LYS A 45 57.422 -28.894 6.778 1.00 10.00 C ATOM 667 C LYS A 45 56.757 -29.694 5.651 1.00 10.00 C ATOM 668 O LYS A 45 57.291 -30.729 5.247 1.00 10.00 O ATOM 669 CB LYS A 45 56.909 -29.320 8.157 1.00 10.00 C ATOM 670 CG LYS A 45 57.826 -28.882 9.305 1.00 10.00 C ATOM 671 CD LYS A 45 57.353 -29.489 10.633 1.00 10.00 C ATOM 672 CE LYS A 45 58.294 -29.053 11.760 1.00 10.00 C ATOM 673 NZ LYS A 45 57.886 -29.623 13.071 1.00 10.00 N ATOM 0 H LYS A 45 56.761 -27.001 7.397 1.00 10.00 H new ATOM 0 HA LYS A 45 58.485 -29.123 6.703 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.916 -28.900 8.314 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.803 -30.405 8.179 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.850 -29.195 9.100 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.833 -27.794 9.378 1.00 10.00 H new ATOM 0 HD2 LYS A 45 56.335 -29.166 10.850 1.00 10.00 H new ATOM 0 HD3 LYS A 45 57.334 -30.576 10.561 1.00 10.00 H new ATOM 0 HE2 LYS A 45 59.311 -29.369 11.527 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.305 -27.965 11.824 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 58.547 -29.305 13.808 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 56.925 -29.302 13.305 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 57.900 -30.662 13.018 1.00 10.00 H new ATOM 687 N ASN A 46 55.643 -29.200 5.108 1.00 10.00 N ATOM 688 CA ASN A 46 54.985 -29.714 3.918 1.00 10.00 C ATOM 689 C ASN A 46 54.212 -28.607 3.161 1.00 10.00 C ATOM 690 O ASN A 46 53.051 -28.347 3.494 1.00 10.00 O ATOM 691 CB ASN A 46 54.144 -30.913 4.339 1.00 10.00 C ATOM 692 CG ASN A 46 53.631 -31.711 3.143 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.502 -31.226 2.026 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.370 -32.986 3.323 1.00 10.00 N ATOM 0 H ASN A 46 55.158 -28.396 5.507 1.00 10.00 H new ATOM 0 HA ASN A 46 55.712 -30.057 3.182 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.739 -31.564 4.979 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.297 -30.569 4.933 1.00 10.00 H new ATOM 0 HD21 ASN A 46 53.064 -33.560 2.537 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.474 -33.402 4.249 1.00 10.00 H new ATOM 701 N PRO A 47 54.861 -27.914 2.194 1.00 10.00 N ATOM 702 CA PRO A 47 54.345 -26.704 1.541 1.00 10.00 C ATOM 703 C PRO A 47 52.913 -26.727 1.014 1.00 10.00 C ATOM 704 O PRO A 47 52.290 -25.666 0.947 1.00 10.00 O ATOM 705 CB PRO A 47 55.342 -26.387 0.445 1.00 10.00 C ATOM 706 CG PRO A 47 56.673 -26.814 1.054 1.00 10.00 C ATOM 707 CD PRO A 47 56.301 -27.992 1.954 1.00 10.00 C ATOM 0 HA PRO A 47 54.258 -25.932 2.306 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.123 -26.936 -0.470 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.337 -25.327 0.190 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.388 -27.108 0.286 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.131 -26.005 1.623 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.561 -28.937 1.478 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.851 -27.947 2.894 1.00 10.00 H new ATOM 715 N SER A 48 52.363 -27.897 0.676 1.00 10.00 N ATOM 716 CA SER A 48 50.967 -28.058 0.329 1.00 10.00 C ATOM 717 C SER A 48 50.217 -29.168 1.064 1.00 10.00 C ATOM 718 O SER A 48 49.263 -29.747 0.538 1.00 10.00 O ATOM 719 CB SER A 48 50.865 -28.081 -1.184 1.00 10.00 C ATOM 720 OG SER A 48 51.391 -29.274 -1.752 1.00 10.00 O ATOM 0 H SER A 48 52.893 -28.768 0.638 1.00 10.00 H new ATOM 0 HA SER A 48 50.413 -27.199 0.706 1.00 10.00 H new ATOM 0 HB2 SER A 48 49.820 -27.975 -1.475 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.398 -27.223 -1.593 1.00 10.00 H new ATOM 0 HG SER A 48 51.300 -29.240 -2.727 1.00 10.00 H new ATOM 726 N ASP A 49 50.646 -29.463 2.293 1.00 10.00 N ATOM 727 CA ASP A 49 49.879 -30.304 3.217 1.00 10.00 C ATOM 728 C ASP A 49 48.553 -29.561 3.446 1.00 10.00 C ATOM 729 O ASP A 49 48.565 -28.383 3.805 1.00 10.00 O ATOM 730 CB ASP A 49 50.662 -30.569 4.510 1.00 10.00 C ATOM 731 CG ASP A 49 49.819 -31.179 5.649 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.843 -30.545 6.110 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.133 -32.314 6.079 1.00 10.00 O ATOM 0 H ASP A 49 51.530 -29.128 2.675 1.00 10.00 H new ATOM 0 HA ASP A 49 49.687 -31.297 2.811 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.491 -31.241 4.288 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.096 -29.631 4.857 1.00 10.00 H new ATOM 738 N PRO A 50 47.400 -30.194 3.208 1.00 10.00 N ATOM 739 CA PRO A 50 46.135 -29.485 3.168 1.00 10.00 C ATOM 740 C PRO A 50 45.637 -28.954 4.506 1.00 10.00 C ATOM 741 O PRO A 50 44.928 -27.957 4.504 1.00 10.00 O ATOM 742 CB PRO A 50 45.154 -30.464 2.558 1.00 10.00 C ATOM 743 CG PRO A 50 45.729 -31.843 2.889 1.00 10.00 C ATOM 744 CD PRO A 50 47.235 -31.603 2.922 1.00 10.00 C ATOM 0 HA PRO A 50 46.254 -28.572 2.584 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.156 -30.339 2.978 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.067 -30.319 1.481 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.360 -32.212 3.846 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.457 -32.583 2.136 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.713 -32.216 3.686 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.694 -31.866 1.969 1.00 10.00 H new ATOM 752 N THR A 51 46.007 -29.550 5.638 1.00 10.00 N ATOM 753 CA THR A 51 45.714 -28.997 6.971 1.00 10.00 C ATOM 754 C THR A 51 46.680 -27.877 7.320 1.00 10.00 C ATOM 755 O THR A 51 46.241 -26.863 7.845 1.00 10.00 O ATOM 756 CB THR A 51 45.787 -30.105 8.015 1.00 10.00 C ATOM 757 OG1 THR A 51 44.631 -30.915 7.927 1.00 10.00 O ATOM 758 CG2 THR A 51 45.915 -29.600 9.449 1.00 10.00 C ATOM 0 H THR A 51 46.519 -30.432 5.663 1.00 10.00 H new ATOM 0 HA THR A 51 44.707 -28.580 6.960 1.00 10.00 H new ATOM 0 HB THR A 51 46.693 -30.668 7.792 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.679 -31.628 8.597 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.961 -30.449 10.131 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.824 -29.007 9.546 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.051 -28.983 9.696 1.00 10.00 H new ATOM 766 N ALA A 52 47.966 -27.997 6.999 1.00 10.00 N ATOM 767 CA ALA A 52 48.923 -26.898 7.095 1.00 10.00 C ATOM 768 C ALA A 52 48.480 -25.694 6.272 1.00 10.00 C ATOM 769 O ALA A 52 48.554 -24.556 6.736 1.00 10.00 O ATOM 770 CB ALA A 52 50.281 -27.447 6.633 1.00 10.00 C ATOM 0 H ALA A 52 48.377 -28.868 6.662 1.00 10.00 H new ATOM 0 HA ALA A 52 48.993 -26.536 8.121 1.00 10.00 H new ATOM 0 HB1 ALA A 52 51.030 -26.657 6.688 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.577 -28.274 7.278 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.200 -27.800 5.605 1.00 10.00 H new ATOM 776 N LEU A 53 47.976 -25.946 5.072 1.00 10.00 N ATOM 777 CA LEU A 53 47.548 -24.919 4.142 1.00 10.00 C ATOM 778 C LEU A 53 46.166 -24.380 4.520 1.00 10.00 C ATOM 779 O LEU A 53 45.950 -23.177 4.449 1.00 10.00 O ATOM 780 CB LEU A 53 47.659 -25.533 2.741 1.00 10.00 C ATOM 781 CG LEU A 53 47.733 -24.591 1.529 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.235 -23.192 1.842 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.739 -25.202 0.557 1.00 10.00 C ATOM 0 H LEU A 53 47.852 -26.893 4.713 1.00 10.00 H new ATOM 0 HA LEU A 53 48.177 -24.030 4.172 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.548 -26.163 2.725 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.801 -26.189 2.598 1.00 10.00 H new ATOM 0 HG LEU A 53 46.718 -24.492 1.143 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.254 -22.599 0.928 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.571 -22.721 2.567 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.241 -23.251 2.257 1.00 10.00 H new ATOM 0 HD21 LEU A 53 48.826 -24.566 -0.324 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.711 -25.284 1.043 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.399 -26.193 0.257 1.00 10.00 H new ATOM 795 N ALA A 54 45.267 -25.224 5.030 1.00 10.00 N ATOM 796 CA ALA A 54 44.005 -24.804 5.638 1.00 10.00 C ATOM 797 C ALA A 54 44.249 -23.923 6.873 1.00 10.00 C ATOM 798 O ALA A 54 43.581 -22.908 7.064 1.00 10.00 O ATOM 799 CB ALA A 54 43.200 -26.052 6.035 1.00 10.00 C ATOM 0 H ALA A 54 45.399 -26.235 5.032 1.00 10.00 H new ATOM 0 HA ALA A 54 43.446 -24.214 4.912 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.257 -25.747 6.489 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.998 -26.652 5.148 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.773 -26.642 6.750 1.00 10.00 H new ATOM 805 N ASN A 55 45.239 -24.291 7.688 1.00 10.00 N ATOM 806 CA ASN A 55 45.650 -23.577 8.888 1.00 10.00 C ATOM 807 C ASN A 55 46.215 -22.200 8.534 1.00 10.00 C ATOM 808 O ASN A 55 45.716 -21.177 8.993 1.00 10.00 O ATOM 809 CB ASN A 55 46.690 -24.442 9.614 1.00 10.00 C ATOM 810 CG ASN A 55 47.338 -23.792 10.808 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.701 -23.444 11.789 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.640 -23.653 10.749 1.00 10.00 N ATOM 0 H ASN A 55 45.796 -25.129 7.519 1.00 10.00 H new ATOM 0 HA ASN A 55 44.794 -23.405 9.541 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.210 -25.365 9.938 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.469 -24.720 8.904 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.146 -23.245 11.536 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.148 -23.952 9.917 1.00 10.00 H new ATOM 819 N TYR A 56 47.211 -22.182 7.649 1.00 10.00 N ATOM 820 CA TYR A 56 47.744 -20.952 7.051 1.00 10.00 C ATOM 821 C TYR A 56 46.663 -20.092 6.399 1.00 10.00 C ATOM 822 O TYR A 56 46.612 -18.908 6.694 1.00 10.00 O ATOM 823 CB TYR A 56 48.893 -21.343 6.111 1.00 10.00 C ATOM 824 CG TYR A 56 49.502 -20.311 5.185 1.00 10.00 C ATOM 825 CD1 TYR A 56 48.994 -20.159 3.880 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.703 -19.671 5.552 1.00 10.00 C ATOM 827 CE1 TYR A 56 49.711 -19.411 2.927 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.424 -18.924 4.601 1.00 10.00 C ATOM 829 CZ TYR A 56 50.943 -18.817 3.276 1.00 10.00 C ATOM 830 OH TYR A 56 51.652 -18.131 2.337 1.00 10.00 O ATOM 0 H TYR A 56 47.677 -23.028 7.322 1.00 10.00 H new ATOM 0 HA TYR A 56 48.141 -20.300 7.829 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.698 -21.737 6.731 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.537 -22.165 5.490 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.054 -20.617 3.610 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.071 -19.754 6.564 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.318 -19.292 1.928 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.344 -18.433 4.883 1.00 10.00 H new ATOM 0 HH TYR A 56 52.476 -17.783 2.738 1.00 10.00 H new ATOM 840 N GLN A 57 45.728 -20.652 5.634 1.00 10.00 N ATOM 841 CA GLN A 57 44.623 -19.881 5.045 1.00 10.00 C ATOM 842 C GLN A 57 43.669 -19.303 6.106 1.00 10.00 C ATOM 843 O GLN A 57 43.243 -18.156 5.981 1.00 10.00 O ATOM 844 CB GLN A 57 43.834 -20.735 4.036 1.00 10.00 C ATOM 845 CG GLN A 57 44.557 -20.916 2.690 1.00 10.00 C ATOM 846 CD GLN A 57 44.558 -19.644 1.844 1.00 10.00 C ATOM 847 OE1 GLN A 57 45.484 -18.844 1.870 1.00 10.00 O ATOM 848 NE2 GLN A 57 43.525 -19.401 1.063 1.00 10.00 N ATOM 0 H GLN A 57 45.710 -21.645 5.403 1.00 10.00 H new ATOM 0 HA GLN A 57 45.079 -19.039 4.525 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.643 -21.716 4.472 1.00 10.00 H new ATOM 0 HB3 GLN A 57 42.864 -20.271 3.859 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.586 -21.226 2.874 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.078 -21.719 2.130 1.00 10.00 H new ATOM 0 HE21 GLN A 57 42.745 -20.058 1.030 1.00 10.00 H new ATOM 0 HE22 GLN A 57 43.505 -18.556 0.492 1.00 10.00 H new ATOM 857 N MET A 58 43.356 -20.054 7.166 1.00 10.00 N ATOM 858 CA MET A 58 42.495 -19.613 8.273 1.00 10.00 C ATOM 859 C MET A 58 43.134 -18.491 9.096 1.00 10.00 C ATOM 860 O MET A 58 42.494 -17.479 9.385 1.00 10.00 O ATOM 861 CB MET A 58 42.181 -20.832 9.152 1.00 10.00 C ATOM 862 CG MET A 58 41.359 -20.517 10.409 1.00 10.00 C ATOM 863 SD MET A 58 41.150 -21.922 11.540 1.00 10.00 S ATOM 864 CE MET A 58 42.833 -22.057 12.216 1.00 10.00 C ATOM 0 H MET A 58 43.701 -21.007 7.283 1.00 10.00 H new ATOM 0 HA MET A 58 41.575 -19.197 7.862 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.640 -21.565 8.554 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.119 -21.297 9.454 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.840 -19.701 10.948 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.375 -20.161 10.105 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.827 -22.727 13.076 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.501 -22.454 11.452 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.181 -21.072 12.526 1.00 10.00 H new ATOM 874 N ILE A 59 44.408 -18.642 9.451 1.00 10.00 N ATOM 875 CA ILE A 59 45.168 -17.647 10.194 1.00 10.00 C ATOM 876 C ILE A 59 45.448 -16.435 9.304 1.00 10.00 C ATOM 877 O ILE A 59 45.372 -15.305 9.776 1.00 10.00 O ATOM 878 CB ILE A 59 46.440 -18.330 10.728 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.095 -19.444 11.748 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.368 -17.333 11.414 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.315 -20.264 12.162 1.00 10.00 C ATOM 0 H ILE A 59 44.949 -19.477 9.224 1.00 10.00 H new ATOM 0 HA ILE A 59 44.610 -17.264 11.048 1.00 10.00 H new ATOM 0 HB ILE A 59 46.941 -18.761 9.861 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.648 -18.994 12.634 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.346 -20.108 11.315 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.255 -17.852 11.778 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.665 -16.563 10.702 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.849 -16.870 12.253 1.00 10.00 H new ATOM 0 HD11 ILE A 59 47.013 -21.029 12.877 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.749 -20.740 11.283 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.055 -19.609 12.622 1.00 10.00 H new ATOM 893 N MET A 60 45.691 -16.632 8.006 1.00 10.00 N ATOM 894 CA MET A 60 45.883 -15.534 7.060 1.00 10.00 C ATOM 895 C MET A 60 44.594 -14.752 6.788 1.00 10.00 C ATOM 896 O MET A 60 44.642 -13.536 6.626 1.00 10.00 O ATOM 897 CB MET A 60 46.513 -16.035 5.761 1.00 10.00 C ATOM 898 CG MET A 60 47.210 -14.881 5.048 1.00 10.00 C ATOM 899 SD MET A 60 48.165 -15.371 3.593 1.00 10.00 S ATOM 900 CE MET A 60 49.557 -16.132 4.465 1.00 10.00 C ATOM 0 H MET A 60 45.760 -17.558 7.583 1.00 10.00 H new ATOM 0 HA MET A 60 46.574 -14.833 7.529 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.229 -16.828 5.975 1.00 10.00 H new ATOM 0 HB3 MET A 60 45.746 -16.464 5.116 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.460 -14.150 4.746 1.00 10.00 H new ATOM 0 HG3 MET A 60 47.875 -14.383 5.753 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.396 -16.250 3.779 1.00 10.00 H new ATOM 0 HE2 MET A 60 49.856 -15.496 5.298 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.258 -17.109 4.844 1.00 10.00 H new ATOM 910 N SER A 61 43.437 -15.417 6.815 1.00 10.00 N ATOM 911 CA SER A 61 42.116 -14.770 6.784 1.00 10.00 C ATOM 912 C SER A 61 41.918 -13.818 7.974 1.00 10.00 C ATOM 913 O SER A 61 41.340 -12.741 7.819 1.00 10.00 O ATOM 914 CB SER A 61 40.997 -15.823 6.756 1.00 10.00 C ATOM 915 OG SER A 61 41.006 -16.524 5.524 1.00 10.00 O ATOM 0 H SER A 61 43.387 -16.435 6.860 1.00 10.00 H new ATOM 0 HA SER A 61 42.068 -14.176 5.871 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.128 -16.524 7.581 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.031 -15.339 6.899 1.00 10.00 H new ATOM 0 HG SER A 61 41.753 -17.158 5.514 1.00 10.00 H new ATOM 921 N GLU A 62 42.450 -14.170 9.149 1.00 10.00 N ATOM 922 CA GLU A 62 42.462 -13.307 10.337 1.00 10.00 C ATOM 923 C GLU A 62 43.547 -12.213 10.267 1.00 10.00 C ATOM 924 O GLU A 62 43.291 -11.047 10.575 1.00 10.00 O ATOM 925 CB GLU A 62 42.610 -14.205 11.583 1.00 10.00 C ATOM 926 CG GLU A 62 42.298 -13.448 12.879 1.00 10.00 C ATOM 927 CD GLU A 62 42.245 -14.407 14.084 1.00 10.00 C ATOM 928 OE1 GLU A 62 43.302 -14.677 14.703 1.00 10.00 O ATOM 929 OE2 GLU A 62 41.137 -14.889 14.431 1.00 10.00 O ATOM 0 H GLU A 62 42.891 -15.076 9.305 1.00 10.00 H new ATOM 0 HA GLU A 62 41.521 -12.760 10.393 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.941 -15.061 11.494 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.626 -14.597 11.628 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.058 -12.686 13.050 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.344 -12.930 12.780 1.00 10.00 H new ATOM 936 N TYR A 63 44.743 -12.568 9.797 1.00 10.00 N ATOM 937 CA TYR A 63 45.887 -11.664 9.647 1.00 10.00 C ATOM 938 C TYR A 63 45.650 -10.546 8.631 1.00 10.00 C ATOM 939 O TYR A 63 45.980 -9.391 8.889 1.00 10.00 O ATOM 940 CB TYR A 63 47.110 -12.482 9.225 1.00 10.00 C ATOM 941 CG TYR A 63 48.355 -11.669 8.951 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.110 -11.133 10.011 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.773 -11.484 7.619 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.304 -10.441 9.738 1.00 10.00 C ATOM 945 CE2 TYR A 63 49.971 -10.807 7.344 1.00 10.00 C ATOM 946 CZ TYR A 63 50.753 -10.297 8.406 1.00 10.00 C ATOM 947 OH TYR A 63 51.933 -9.672 8.148 1.00 10.00 O ATOM 0 H TYR A 63 44.950 -13.522 9.501 1.00 10.00 H new ATOM 0 HA TYR A 63 46.044 -11.181 10.611 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.332 -13.207 10.008 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.859 -13.048 8.328 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.774 -11.253 11.030 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.170 -11.864 6.807 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.879 -10.019 10.549 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.295 -10.676 6.322 1.00 10.00 H new ATOM 0 HH TYR A 63 52.494 -9.687 8.952 1.00 10.00 H new ATOM 957 N ASN A 64 45.064 -10.872 7.480 1.00 10.00 N ATOM 958 CA ASN A 64 44.844 -9.922 6.389 1.00 10.00 C ATOM 959 C ASN A 64 43.836 -8.828 6.795 1.00 10.00 C ATOM 960 O ASN A 64 44.020 -7.654 6.468 1.00 10.00 O ATOM 961 CB ASN A 64 44.379 -10.704 5.148 1.00 10.00 C ATOM 962 CG ASN A 64 44.112 -9.797 3.958 1.00 10.00 C ATOM 963 OD1 ASN A 64 42.991 -9.380 3.703 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.127 -9.458 3.193 1.00 10.00 N ATOM 0 H ASN A 64 44.725 -11.812 7.276 1.00 10.00 H new ATOM 0 HA ASN A 64 45.774 -9.405 6.155 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.139 -11.438 4.879 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.472 -11.258 5.390 1.00 10.00 H new ATOM 0 HD21 ASN A 64 44.978 -8.848 2.389 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.063 -9.805 3.404 1.00 10.00 H new ATOM 1108 N VAL A 74 51.247 1.122 12.868 1.00 10.00 N ATOM 1109 CA VAL A 74 52.614 1.338 12.368 1.00 10.00 C ATOM 1110 C VAL A 74 52.983 2.830 12.370 1.00 10.00 C ATOM 1111 O VAL A 74 54.116 3.184 12.704 1.00 10.00 O ATOM 1112 CB VAL A 74 52.739 0.686 10.972 1.00 10.00 C ATOM 1113 CG1 VAL A 74 53.801 1.307 10.070 1.00 10.00 C ATOM 1114 CG2 VAL A 74 53.070 -0.805 11.113 1.00 10.00 C ATOM 0 HA VAL A 74 53.334 0.862 13.033 1.00 10.00 H new ATOM 0 HB VAL A 74 51.770 0.853 10.501 1.00 10.00 H new ATOM 0 HG11 VAL A 74 53.816 0.785 9.113 1.00 10.00 H new ATOM 0 HG12 VAL A 74 53.569 2.359 9.906 1.00 10.00 H new ATOM 0 HG13 VAL A 74 54.778 1.221 10.546 1.00 10.00 H new ATOM 0 HG21 VAL A 74 53.156 -1.254 10.123 1.00 10.00 H new ATOM 0 HG22 VAL A 74 54.014 -0.919 11.646 1.00 10.00 H new ATOM 0 HG23 VAL A 74 52.276 -1.303 11.670 1.00 10.00 H new ATOM 1124 N LYS A 75 52.028 3.718 12.063 1.00 10.00 N ATOM 1125 CA LYS A 75 52.235 5.178 12.040 1.00 10.00 C ATOM 1126 C LYS A 75 52.315 5.790 13.445 1.00 10.00 C ATOM 1127 O LYS A 75 53.035 6.770 13.631 1.00 10.00 O ATOM 1128 CB LYS A 75 51.145 5.851 11.187 1.00 10.00 C ATOM 1129 CG LYS A 75 51.159 5.338 9.737 1.00 10.00 C ATOM 1130 CD LYS A 75 50.056 5.978 8.884 1.00 10.00 C ATOM 1131 CE LYS A 75 49.976 5.300 7.508 1.00 10.00 C ATOM 1132 NZ LYS A 75 49.297 3.981 7.580 1.00 10.00 N ATOM 0 H LYS A 75 51.077 3.442 11.820 1.00 10.00 H new ATOM 0 HA LYS A 75 53.206 5.366 11.581 1.00 10.00 H new ATOM 0 HB2 LYS A 75 50.167 5.662 11.630 1.00 10.00 H new ATOM 0 HB3 LYS A 75 51.294 6.931 11.192 1.00 10.00 H new ATOM 0 HG2 LYS A 75 52.130 5.548 9.289 1.00 10.00 H new ATOM 0 HG3 LYS A 75 51.035 4.255 9.736 1.00 10.00 H new ATOM 0 HD2 LYS A 75 49.097 5.891 9.395 1.00 10.00 H new ATOM 0 HD3 LYS A 75 50.256 7.042 8.760 1.00 10.00 H new ATOM 0 HE2 LYS A 75 49.439 5.947 6.815 1.00 10.00 H new ATOM 0 HE3 LYS A 75 50.982 5.169 7.108 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 49.187 3.594 6.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 49.868 3.328 8.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 48.360 4.096 8.016 1.00 10.00 H new ATOM 1146 N SER A 76 51.675 5.186 14.453 1.00 10.00 N ATOM 1147 CA SER A 76 51.805 5.582 15.870 1.00 10.00 C ATOM 1148 C SER A 76 53.246 5.512 16.392 1.00 10.00 C ATOM 1149 O SER A 76 53.638 6.329 17.225 1.00 10.00 O ATOM 1150 CB SER A 76 50.927 4.703 16.768 1.00 10.00 C ATOM 1151 OG SER A 76 49.582 4.717 16.329 1.00 10.00 O ATOM 0 H SER A 76 51.043 4.398 14.311 1.00 10.00 H new ATOM 0 HA SER A 76 51.479 6.621 15.909 1.00 10.00 H new ATOM 0 HB2 SER A 76 51.304 3.680 16.764 1.00 10.00 H new ATOM 0 HB3 SER A 76 50.982 5.059 17.797 1.00 10.00 H new ATOM 0 HG SER A 76 49.041 4.148 16.915 1.00 10.00 H new ATOM 1157 N MET A 77 54.067 4.587 15.878 1.00 10.00 N ATOM 1158 CA MET A 77 55.481 4.461 16.262 1.00 10.00 C ATOM 1159 C MET A 77 56.309 5.725 15.948 1.00 10.00 C ATOM 1160 O MET A 77 57.277 6.019 16.649 1.00 10.00 O ATOM 1161 CB MET A 77 56.083 3.210 15.598 1.00 10.00 C ATOM 1162 CG MET A 77 57.431 2.804 16.210 1.00 10.00 C ATOM 1163 SD MET A 77 57.358 2.330 17.963 1.00 10.00 S ATOM 1164 CE MET A 77 59.131 2.290 18.338 1.00 10.00 C ATOM 0 H MET A 77 53.770 3.903 15.182 1.00 10.00 H new ATOM 0 HA MET A 77 55.522 4.350 17.346 1.00 10.00 H new ATOM 0 HB2 MET A 77 55.382 2.381 15.692 1.00 10.00 H new ATOM 0 HB3 MET A 77 56.214 3.397 14.532 1.00 10.00 H new ATOM 0 HG2 MET A 77 57.837 1.969 15.639 1.00 10.00 H new ATOM 0 HG3 MET A 77 58.129 3.634 16.101 1.00 10.00 H new ATOM 0 HE1 MET A 77 59.276 2.014 19.382 1.00 10.00 H new ATOM 0 HE2 MET A 77 59.622 1.557 17.698 1.00 10.00 H new ATOM 0 HE3 MET A 77 59.563 3.275 18.160 1.00 10.00 H new ATOM 1174 N LYS A 78 55.897 6.529 14.955 1.00 10.00 N ATOM 1175 CA LYS A 78 56.536 7.813 14.619 1.00 10.00 C ATOM 1176 C LYS A 78 56.465 8.838 15.761 1.00 10.00 C ATOM 1177 O LYS A 78 57.366 9.664 15.897 1.00 10.00 O ATOM 1178 CB LYS A 78 55.903 8.360 13.325 1.00 10.00 C ATOM 1179 CG LYS A 78 56.714 9.453 12.605 1.00 10.00 C ATOM 1180 CD LYS A 78 58.111 8.985 12.157 1.00 10.00 C ATOM 1181 CE LYS A 78 59.216 9.499 13.091 1.00 10.00 C ATOM 1182 NZ LYS A 78 60.475 8.731 12.920 1.00 10.00 N ATOM 0 H LYS A 78 55.103 6.304 14.356 1.00 10.00 H new ATOM 0 HA LYS A 78 57.600 7.633 14.462 1.00 10.00 H new ATOM 0 HB2 LYS A 78 55.752 7.530 12.635 1.00 10.00 H new ATOM 0 HB3 LYS A 78 54.917 8.760 13.563 1.00 10.00 H new ATOM 0 HG2 LYS A 78 56.156 9.793 11.733 1.00 10.00 H new ATOM 0 HG3 LYS A 78 56.822 10.311 13.269 1.00 10.00 H new ATOM 0 HD2 LYS A 78 58.137 7.896 12.130 1.00 10.00 H new ATOM 0 HD3 LYS A 78 58.302 9.334 11.142 1.00 10.00 H new ATOM 0 HE2 LYS A 78 59.402 10.554 12.890 1.00 10.00 H new ATOM 0 HE3 LYS A 78 58.882 9.426 14.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 61.277 9.300 13.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 60.421 7.850 13.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 60.609 8.504 11.914 1.00 10.00 H new ATOM 1196 N ASP A 79 55.439 8.764 16.612 1.00 10.00 N ATOM 1197 CA ASP A 79 55.343 9.566 17.838 1.00 10.00 C ATOM 1198 C ASP A 79 56.271 9.038 18.950 1.00 10.00 C ATOM 1199 O ASP A 79 56.920 9.822 19.642 1.00 10.00 O ATOM 1200 CB ASP A 79 53.883 9.586 18.312 1.00 10.00 C ATOM 1201 CG ASP A 79 53.677 10.585 19.463 1.00 10.00 C ATOM 1202 OD1 ASP A 79 53.683 11.813 19.205 1.00 10.00 O ATOM 1203 OD2 ASP A 79 53.490 10.147 20.624 1.00 10.00 O ATOM 0 H ASP A 79 54.644 8.141 16.470 1.00 10.00 H new ATOM 0 HA ASP A 79 55.672 10.580 17.612 1.00 10.00 H new ATOM 0 HB2 ASP A 79 53.232 9.851 17.478 1.00 10.00 H new ATOM 0 HB3 ASP A 79 53.592 8.588 18.639 1.00 10.00 H new ATOM 1208 N ILE A 80 56.394 7.710 19.082 1.00 10.00 N ATOM 1209 CA ILE A 80 57.297 7.045 20.041 1.00 10.00 C ATOM 1210 C ILE A 80 58.775 7.345 19.736 1.00 10.00 C ATOM 1211 O ILE A 80 59.569 7.565 20.655 1.00 10.00 O ATOM 1212 CB ILE A 80 57.022 5.521 20.077 1.00 10.00 C ATOM 1213 CG1 ILE A 80 55.535 5.169 20.336 1.00 10.00 C ATOM 1214 CG2 ILE A 80 57.909 4.807 21.112 1.00 10.00 C ATOM 1215 CD1 ILE A 80 54.941 5.727 21.638 1.00 10.00 C ATOM 0 H ILE A 80 55.859 7.052 18.515 1.00 10.00 H new ATOM 0 HA ILE A 80 57.092 7.451 21.031 1.00 10.00 H new ATOM 0 HB ILE A 80 57.273 5.163 19.079 1.00 10.00 H new ATOM 0 HG12 ILE A 80 54.941 5.537 19.499 1.00 10.00 H new ATOM 0 HG13 ILE A 80 55.433 4.084 20.346 1.00 10.00 H new ATOM 0 HG21 ILE A 80 57.687 3.740 21.107 1.00 10.00 H new ATOM 0 HG22 ILE A 80 58.958 4.960 20.859 1.00 10.00 H new ATOM 0 HG23 ILE A 80 57.711 5.214 22.103 1.00 10.00 H new ATOM 0 HD11 ILE A 80 53.898 5.423 21.722 1.00 10.00 H new ATOM 0 HD12 ILE A 80 55.501 5.339 22.489 1.00 10.00 H new ATOM 0 HD13 ILE A 80 55.002 6.815 21.629 1.00 10.00 H new ATOM 1227 N ASP A 81 59.139 7.442 18.454 1.00 10.00 N ATOM 1228 CA ASP A 81 60.486 7.821 17.992 1.00 10.00 C ATOM 1229 C ASP A 81 60.963 9.192 18.519 1.00 10.00 C ATOM 1230 O ASP A 81 62.168 9.435 18.590 1.00 10.00 O ATOM 1231 CB ASP A 81 60.550 7.843 16.455 1.00 10.00 C ATOM 1232 CG ASP A 81 60.489 6.475 15.755 1.00 10.00 C ATOM 1233 OD1 ASP A 81 60.854 5.438 16.357 1.00 10.00 O ATOM 1234 OD2 ASP A 81 60.154 6.471 14.545 1.00 10.00 O ATOM 0 H ASP A 81 58.493 7.256 17.687 1.00 10.00 H new ATOM 0 HA ASP A 81 61.152 7.059 18.399 1.00 10.00 H new ATOM 0 HB2 ASP A 81 59.726 8.454 16.086 1.00 10.00 H new ATOM 0 HB3 ASP A 81 61.473 8.340 16.157 1.00 10.00 H new ATOM 1239 N SER A 82 60.048 10.081 18.928 1.00 10.00 N ATOM 1240 CA SER A 82 60.369 11.392 19.522 1.00 10.00 C ATOM 1241 C SER A 82 61.233 11.298 20.797 1.00 10.00 C ATOM 1242 O SER A 82 61.927 12.252 21.159 1.00 10.00 O ATOM 1243 CB SER A 82 59.063 12.144 19.812 1.00 10.00 C ATOM 1244 OG SER A 82 59.300 13.522 20.054 1.00 10.00 O ATOM 0 H SER A 82 59.045 9.909 18.855 1.00 10.00 H new ATOM 0 HA SER A 82 60.972 11.937 18.796 1.00 10.00 H new ATOM 0 HB2 SER A 82 58.383 12.033 18.967 1.00 10.00 H new ATOM 0 HB3 SER A 82 58.571 11.701 20.678 1.00 10.00 H new ATOM 0 HG SER A 82 58.449 13.974 20.234 1.00 10.00 H new ATOM 1250 N SER A 83 61.238 10.138 21.469 1.00 10.00 N ATOM 1251 CA SER A 83 62.100 9.853 22.629 1.00 10.00 C ATOM 1252 C SER A 83 63.603 9.730 22.303 1.00 10.00 C ATOM 1253 O SER A 83 64.432 9.884 23.206 1.00 10.00 O ATOM 1254 CB SER A 83 61.621 8.586 23.350 1.00 10.00 C ATOM 1255 OG SER A 83 61.698 7.438 22.520 1.00 10.00 O ATOM 0 H SER A 83 60.633 9.356 21.218 1.00 10.00 H new ATOM 0 HA SER A 83 62.006 10.725 23.277 1.00 10.00 H new ATOM 0 HB2 SER A 83 62.225 8.428 24.244 1.00 10.00 H new ATOM 0 HB3 SER A 83 60.592 8.725 23.681 1.00 10.00 H new ATOM 0 HG SER A 83 60.969 7.458 21.865 1.00 10.00 H new