USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 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 30 SER OG : rot 82:sc= 0.809 USER MOD Set 1.2: A 33 GLN : amide:sc= 0.645 K(o=1.5,f=-1.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00237 USER MOD Single : A 35 CYS SG : rot -22:sc= 0.897 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 42 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.06) USER MOD Single : A 44 GLN : amide:sc= 0.502 K(o=0.5,f=-7.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0542 USER MOD Single : A 48 SER OG : rot -143:sc= -0.914 USER MOD Single : A 50 GLN : amide:sc= 1.07 K(o=1.1,f=-0.55) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.746 F(o=-2.8!,f=-0.75) USER MOD Single : A 52 MET CE :methyl 135:sc= -0.66 (180deg=-1.15) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -12:sc= 0.754 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0432 F(o=-1.4!,f=-0.043) USER MOD Single : A 60 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.017) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00896 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.016 (180deg=-0.2) USER MOD Single : A 65 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.074) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 68 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0464 F(o=-1.3,f=-0.046) USER MOD Single : A 72 ASN : amide:sc= -0.959 K(o=-0.96,f=-2.5!) USER MOD Single : A 73 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.7) USER MOD Single : A 75 MET CE :methyl -143:sc= -0.195 (180deg=-1.01) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.624 0.302 3.567 1.00 0.00 N ATOM 479 CA SER A 30 8.877 1.092 4.757 1.00 0.00 C ATOM 480 C SER A 30 7.606 1.184 5.597 1.00 0.00 C ATOM 481 O SER A 30 6.496 1.083 5.064 1.00 0.00 O ATOM 482 CB SER A 30 9.357 2.492 4.367 1.00 0.00 C ATOM 483 OG SER A 30 10.427 2.424 3.436 1.00 0.00 O ATOM 0 HA SER A 30 9.656 0.609 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.530 3.056 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.680 3.031 5.258 1.00 0.00 H new ATOM 0 HG SER A 30 10.068 2.284 2.535 1.00 0.00 H new ATOM 489 N SER A 31 7.770 1.387 6.899 1.00 0.00 N ATOM 490 CA SER A 31 6.641 1.498 7.811 1.00 0.00 C ATOM 491 C SER A 31 5.728 2.638 7.379 1.00 0.00 C ATOM 492 O SER A 31 4.504 2.527 7.435 1.00 0.00 O ATOM 493 CB SER A 31 7.146 1.735 9.235 1.00 0.00 C ATOM 494 OG SER A 31 8.180 0.819 9.567 1.00 0.00 O ATOM 0 H SER A 31 8.681 1.478 7.348 1.00 0.00 H new ATOM 0 HA SER A 31 6.072 0.569 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.516 2.756 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.321 1.629 9.940 1.00 0.00 H new ATOM 0 HG SER A 31 8.488 0.991 10.481 1.00 0.00 H new ATOM 500 N THR A 32 6.342 3.724 6.924 1.00 0.00 N ATOM 501 CA THR A 32 5.613 4.875 6.428 1.00 0.00 C ATOM 502 C THR A 32 4.746 4.496 5.229 1.00 0.00 C ATOM 503 O THR A 32 3.562 4.814 5.188 1.00 0.00 O ATOM 504 CB THR A 32 6.586 5.991 6.017 1.00 0.00 C ATOM 505 OG1 THR A 32 7.621 6.110 7.002 1.00 0.00 O ATOM 506 CG2 THR A 32 5.861 7.322 5.871 1.00 0.00 C ATOM 0 H THR A 32 7.356 3.827 6.890 1.00 0.00 H new ATOM 0 HA THR A 32 4.970 5.232 7.232 1.00 0.00 H new ATOM 0 HB THR A 32 7.021 5.732 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.243 6.821 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.573 8.094 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.089 7.234 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.402 7.592 6.822 1.00 0.00 H new ATOM 514 N GLN A 33 5.342 3.788 4.271 1.00 0.00 N ATOM 515 CA GLN A 33 4.638 3.384 3.058 1.00 0.00 C ATOM 516 C GLN A 33 3.452 2.495 3.397 1.00 0.00 C ATOM 517 O GLN A 33 2.344 2.712 2.907 1.00 0.00 O ATOM 518 CB GLN A 33 5.583 2.647 2.106 1.00 0.00 C ATOM 519 CG GLN A 33 6.744 3.496 1.623 1.00 0.00 C ATOM 520 CD GLN A 33 7.720 2.714 0.770 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.656 2.096 1.278 1.00 0.00 O ATOM 522 NE2 GLN A 33 7.504 2.733 -0.532 1.00 0.00 N ATOM 0 H GLN A 33 6.314 3.482 4.313 1.00 0.00 H new ATOM 0 HA GLN A 33 4.273 4.285 2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.975 1.763 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.016 2.298 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.359 4.339 1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.270 3.910 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.716 3.258 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.125 2.222 -1.160 1.00 0.00 H new ATOM 531 N LEU A 34 3.693 1.499 4.243 1.00 0.00 N ATOM 532 CA LEU A 34 2.634 0.602 4.690 1.00 0.00 C ATOM 533 C LEU A 34 1.529 1.381 5.392 1.00 0.00 C ATOM 534 O LEU A 34 0.344 1.156 5.146 1.00 0.00 O ATOM 535 CB LEU A 34 3.201 -0.465 5.634 1.00 0.00 C ATOM 536 CG LEU A 34 4.261 -1.382 5.021 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.825 -2.320 6.076 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.672 -2.176 3.866 1.00 0.00 C ATOM 0 H LEU A 34 4.613 1.293 4.633 1.00 0.00 H new ATOM 0 HA LEU A 34 2.212 0.111 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.633 0.033 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.378 -1.080 5.997 1.00 0.00 H new ATOM 0 HG LEU A 34 5.073 -0.764 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.578 -2.966 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.281 -1.736 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.021 -2.932 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.439 -2.823 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.843 -2.785 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.311 -1.490 3.100 1.00 0.00 H new ATOM 550 N CYS A 35 1.931 2.310 6.253 1.00 0.00 N ATOM 551 CA CYS A 35 0.981 3.139 6.984 1.00 0.00 C ATOM 552 C CYS A 35 0.150 3.977 6.018 1.00 0.00 C ATOM 553 O CYS A 35 -1.064 4.051 6.147 1.00 0.00 O ATOM 554 CB CYS A 35 1.712 4.046 7.977 1.00 0.00 C ATOM 555 SG CYS A 35 0.624 4.949 9.108 1.00 0.00 S ATOM 0 H CYS A 35 2.910 2.507 6.461 1.00 0.00 H new ATOM 0 HA CYS A 35 0.312 2.483 7.541 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.403 3.440 8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.313 4.764 7.419 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.566 5.033 8.591 1.00 0.00 H new ATOM 561 N VAL A 36 0.808 4.590 5.039 1.00 0.00 N ATOM 562 CA VAL A 36 0.117 5.417 4.059 1.00 0.00 C ATOM 563 C VAL A 36 -0.909 4.599 3.275 1.00 0.00 C ATOM 564 O VAL A 36 -2.037 5.044 3.074 1.00 0.00 O ATOM 565 CB VAL A 36 1.109 6.094 3.087 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.372 6.833 1.980 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.021 7.054 3.837 1.00 0.00 C ATOM 0 H VAL A 36 1.817 4.529 4.904 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.406 6.198 4.610 1.00 0.00 H new ATOM 0 HB VAL A 36 1.717 5.312 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.095 7.300 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.241 6.129 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.266 7.601 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.713 7.521 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.420 7.824 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.585 6.506 4.592 1.00 0.00 H new ATOM 577 N LEU A 37 -0.522 3.403 2.851 1.00 0.00 N ATOM 578 CA LEU A 37 -1.431 2.524 2.123 1.00 0.00 C ATOM 579 C LEU A 37 -2.627 2.141 2.995 1.00 0.00 C ATOM 580 O LEU A 37 -3.775 2.171 2.547 1.00 0.00 O ATOM 581 CB LEU A 37 -0.696 1.264 1.659 1.00 0.00 C ATOM 582 CG LEU A 37 0.443 1.502 0.660 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.181 0.202 0.372 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.093 2.106 -0.630 1.00 0.00 C ATOM 0 H LEU A 37 0.412 3.019 2.997 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.797 3.062 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.290 0.757 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.420 0.587 1.205 1.00 0.00 H new ATOM 0 HG LEU A 37 1.146 2.207 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.986 0.390 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.600 -0.192 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.487 -0.525 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.730 2.267 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.818 1.425 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.576 3.059 -0.413 1.00 0.00 H new ATOM 596 N ASN A 38 -2.344 1.808 4.247 1.00 0.00 N ATOM 597 CA ASN A 38 -3.377 1.417 5.201 1.00 0.00 C ATOM 598 C ASN A 38 -4.287 2.596 5.520 1.00 0.00 C ATOM 599 O ASN A 38 -5.507 2.453 5.582 1.00 0.00 O ATOM 600 CB ASN A 38 -2.717 0.870 6.474 1.00 0.00 C ATOM 601 CG ASN A 38 -3.713 0.431 7.532 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.844 0.061 7.228 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.277 0.428 8.781 1.00 0.00 N ATOM 0 H ASN A 38 -1.399 1.801 4.630 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.994 0.634 4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.083 0.024 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.066 1.637 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.888 0.110 9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.330 0.743 8.991 1.00 0.00 H new ATOM 610 N ASP A 39 -3.693 3.768 5.687 1.00 0.00 N ATOM 611 CA ASP A 39 -4.457 4.972 5.973 1.00 0.00 C ATOM 612 C ASP A 39 -5.301 5.390 4.781 1.00 0.00 C ATOM 613 O ASP A 39 -6.372 5.947 4.949 1.00 0.00 O ATOM 614 CB ASP A 39 -3.549 6.122 6.411 1.00 0.00 C ATOM 615 CG ASP A 39 -3.327 6.123 7.908 1.00 0.00 C ATOM 616 OD1 ASP A 39 -2.386 5.452 8.374 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.114 6.778 8.625 1.00 0.00 O ATOM 0 H ASP A 39 -2.685 3.911 5.629 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.127 4.735 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.589 6.042 5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.992 7.071 6.108 1.00 0.00 H new ATOM 622 N ARG A 40 -4.832 5.122 3.576 1.00 0.00 N ATOM 623 CA ARG A 40 -5.633 5.396 2.393 1.00 0.00 C ATOM 624 C ARG A 40 -6.911 4.567 2.402 1.00 0.00 C ATOM 625 O ARG A 40 -7.975 5.061 2.049 1.00 0.00 O ATOM 626 CB ARG A 40 -4.833 5.143 1.116 1.00 0.00 C ATOM 627 CG ARG A 40 -4.169 6.391 0.541 1.00 0.00 C ATOM 628 CD ARG A 40 -3.460 7.216 1.607 1.00 0.00 C ATOM 629 NE ARG A 40 -4.366 8.134 2.306 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.040 8.806 3.410 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.848 8.630 3.970 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.916 9.638 3.960 1.00 0.00 N ATOM 0 H ARG A 40 -3.913 4.720 3.390 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.909 6.450 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.065 4.398 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.496 4.717 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.451 6.097 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.923 7.007 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.998 6.546 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.656 7.788 1.143 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.302 8.266 1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.181 7.980 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.600 9.145 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.836 9.762 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.669 10.153 4.805 1.00 0.00 H new ATOM 646 N PHE A 41 -6.803 3.314 2.809 1.00 0.00 N ATOM 647 CA PHE A 41 -7.973 2.451 2.918 1.00 0.00 C ATOM 648 C PHE A 41 -8.811 2.777 4.154 1.00 0.00 C ATOM 649 O PHE A 41 -10.019 2.534 4.178 1.00 0.00 O ATOM 650 CB PHE A 41 -7.551 0.985 2.941 1.00 0.00 C ATOM 651 CG PHE A 41 -7.100 0.504 1.599 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.847 0.813 0.480 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.945 -0.242 1.450 1.00 0.00 C ATOM 654 CE1 PHE A 41 -7.457 0.392 -0.766 1.00 0.00 C ATOM 655 CE2 PHE A 41 -5.544 -0.671 0.199 1.00 0.00 C ATOM 656 CZ PHE A 41 -6.303 -0.354 -0.913 1.00 0.00 C ATOM 0 H PHE A 41 -5.922 2.870 3.069 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.594 2.633 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.744 0.853 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.387 0.374 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.751 1.394 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.352 -0.491 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.052 0.643 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.640 -1.252 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.995 -0.688 -1.893 1.00 0.00 H new ATOM 666 N GLN A 42 -8.162 3.291 5.189 1.00 0.00 N ATOM 667 CA GLN A 42 -8.852 3.616 6.433 1.00 0.00 C ATOM 668 C GLN A 42 -9.526 4.992 6.362 1.00 0.00 C ATOM 669 O GLN A 42 -10.707 5.125 6.683 1.00 0.00 O ATOM 670 CB GLN A 42 -7.862 3.549 7.605 1.00 0.00 C ATOM 671 CG GLN A 42 -8.504 3.579 8.988 1.00 0.00 C ATOM 672 CD GLN A 42 -8.615 4.976 9.567 1.00 0.00 C ATOM 673 OE1 GLN A 42 -7.689 5.464 10.212 1.00 0.00 O ATOM 674 NE2 GLN A 42 -9.752 5.623 9.367 1.00 0.00 N ATOM 0 H GLN A 42 -7.162 3.492 5.194 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.642 2.881 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.273 2.636 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.168 4.386 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.499 3.138 8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.919 2.957 9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.499 5.187 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.881 6.558 9.753 1.00 0.00 H new ATOM 683 N ARG A 43 -8.779 6.009 5.941 1.00 0.00 N ATOM 684 CA ARG A 43 -9.291 7.379 5.908 1.00 0.00 C ATOM 685 C ARG A 43 -10.199 7.579 4.699 1.00 0.00 C ATOM 686 O ARG A 43 -11.215 8.271 4.777 1.00 0.00 O ATOM 687 CB ARG A 43 -8.144 8.394 5.836 1.00 0.00 C ATOM 688 CG ARG A 43 -7.009 8.149 6.818 1.00 0.00 C ATOM 689 CD ARG A 43 -7.421 8.363 8.261 1.00 0.00 C ATOM 690 NE ARG A 43 -6.276 8.224 9.158 1.00 0.00 N ATOM 691 CZ ARG A 43 -6.080 8.960 10.247 1.00 0.00 C ATOM 692 NH1 ARG A 43 -6.974 9.867 10.619 1.00 0.00 N ATOM 693 NH2 ARG A 43 -4.986 8.781 10.971 1.00 0.00 N ATOM 0 H ARG A 43 -7.817 5.912 5.618 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.856 7.540 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.737 8.389 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.549 9.391 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.644 7.129 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.179 8.814 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.859 9.355 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.191 7.642 8.534 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.580 7.514 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.821 10.004 10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.814 10.427 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.299 8.081 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.831 9.343 11.808 1.00 0.00 H new ATOM 707 N GLN A 44 -9.812 6.985 3.577 1.00 0.00 N ATOM 708 CA GLN A 44 -10.593 7.068 2.352 1.00 0.00 C ATOM 709 C GLN A 44 -11.354 5.767 2.168 1.00 0.00 C ATOM 710 O GLN A 44 -11.266 4.875 3.009 1.00 0.00 O ATOM 711 CB GLN A 44 -9.693 7.321 1.130 1.00 0.00 C ATOM 712 CG GLN A 44 -9.233 8.766 0.939 1.00 0.00 C ATOM 713 CD GLN A 44 -8.355 9.290 2.062 1.00 0.00 C ATOM 714 OE1 GLN A 44 -7.134 9.117 2.051 1.00 0.00 O ATOM 715 NE2 GLN A 44 -8.966 9.963 3.022 1.00 0.00 N ATOM 0 H GLN A 44 -8.956 6.437 3.492 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.286 7.905 2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.811 6.685 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.230 7.008 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.686 8.841 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.110 9.407 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.978 10.084 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.425 10.361 3.790 1.00 0.00 H new ATOM 724 N LYS A 45 -12.106 5.653 1.087 1.00 0.00 N ATOM 725 CA LYS A 45 -12.803 4.422 0.807 1.00 0.00 C ATOM 726 C LYS A 45 -11.922 3.525 -0.050 1.00 0.00 C ATOM 727 O LYS A 45 -11.661 2.376 0.299 1.00 0.00 O ATOM 728 CB LYS A 45 -14.114 4.720 0.083 1.00 0.00 C ATOM 729 CG LYS A 45 -15.100 3.577 0.141 1.00 0.00 C ATOM 730 CD LYS A 45 -15.544 3.314 1.569 1.00 0.00 C ATOM 731 CE LYS A 45 -16.426 2.086 1.667 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.020 1.950 3.018 1.00 0.00 N ATOM 0 H LYS A 45 -12.245 6.393 0.399 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.029 3.912 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.570 5.607 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.900 4.954 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.968 3.809 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.645 2.678 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.668 3.184 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.085 4.181 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.221 2.147 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.840 1.197 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.618 1.100 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.261 1.867 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.599 2.788 3.229 1.00 0.00 H new ATOM 746 N TYR A 46 -11.443 4.081 -1.157 1.00 0.00 N ATOM 747 CA TYR A 46 -10.541 3.382 -2.067 1.00 0.00 C ATOM 748 C TYR A 46 -9.706 4.392 -2.839 1.00 0.00 C ATOM 749 O TYR A 46 -9.893 5.604 -2.692 1.00 0.00 O ATOM 750 CB TYR A 46 -11.312 2.492 -3.055 1.00 0.00 C ATOM 751 CG TYR A 46 -11.852 1.222 -2.441 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.989 0.231 -1.994 1.00 0.00 C ATOM 753 CD2 TYR A 46 -13.217 1.021 -2.292 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.470 -0.926 -1.417 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.707 -0.133 -1.712 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.829 -1.102 -1.278 1.00 0.00 C ATOM 757 OH TYR A 46 -13.309 -2.248 -0.691 1.00 0.00 O ATOM 0 H TYR A 46 -11.669 5.031 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.893 2.742 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.141 3.063 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.654 2.232 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.923 0.368 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.907 1.778 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.785 -1.689 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.772 -0.275 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.288 -2.218 -0.667 1.00 0.00 H new ATOM 767 N LEU A 47 -8.791 3.895 -3.654 1.00 0.00 N ATOM 768 CA LEU A 47 -7.963 4.753 -4.483 1.00 0.00 C ATOM 769 C LEU A 47 -8.467 4.733 -5.914 1.00 0.00 C ATOM 770 O LEU A 47 -8.688 3.667 -6.486 1.00 0.00 O ATOM 771 CB LEU A 47 -6.493 4.311 -4.449 1.00 0.00 C ATOM 772 CG LEU A 47 -5.735 4.583 -3.142 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.185 3.640 -2.034 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.235 4.462 -3.373 1.00 0.00 C ATOM 0 H LEU A 47 -8.603 2.898 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.026 5.766 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.452 3.241 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.966 4.811 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.963 5.600 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.629 3.859 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.251 3.776 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.997 2.609 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.706 4.657 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.000 3.456 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.923 5.187 -4.125 1.00 0.00 H new ATOM 786 N SER A 48 -8.660 5.910 -6.482 1.00 0.00 N ATOM 787 CA SER A 48 -9.086 6.031 -7.856 1.00 0.00 C ATOM 788 C SER A 48 -7.878 5.924 -8.780 1.00 0.00 C ATOM 789 O SER A 48 -6.745 5.744 -8.318 1.00 0.00 O ATOM 790 CB SER A 48 -9.795 7.372 -8.060 1.00 0.00 C ATOM 791 OG SER A 48 -8.952 8.451 -7.681 1.00 0.00 O ATOM 0 H SER A 48 -8.526 6.801 -6.004 1.00 0.00 H new ATOM 0 HA SER A 48 -9.782 5.226 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.084 7.480 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.712 7.397 -7.471 1.00 0.00 H new ATOM 0 HG SER A 48 -9.489 9.152 -7.257 1.00 0.00 H new ATOM 797 N LEU A 49 -8.114 6.072 -10.070 1.00 0.00 N ATOM 798 CA LEU A 49 -7.063 5.980 -11.059 1.00 0.00 C ATOM 799 C LEU A 49 -6.100 7.147 -10.908 1.00 0.00 C ATOM 800 O LEU A 49 -4.911 7.032 -11.207 1.00 0.00 O ATOM 801 CB LEU A 49 -7.664 5.955 -12.464 1.00 0.00 C ATOM 802 CG LEU A 49 -8.186 4.592 -12.937 1.00 0.00 C ATOM 803 CD1 LEU A 49 -9.394 4.146 -12.129 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.524 4.645 -14.418 1.00 0.00 C ATOM 0 H LEU A 49 -9.038 6.259 -10.459 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.510 5.054 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.485 6.671 -12.502 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.908 6.299 -13.170 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.396 3.857 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.737 3.177 -12.492 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.118 4.063 -11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.195 4.878 -12.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.893 3.672 -14.742 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.291 5.400 -14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.630 4.901 -14.986 1.00 0.00 H new ATOM 816 N GLN A 50 -6.617 8.271 -10.433 1.00 0.00 N ATOM 817 CA GLN A 50 -5.773 9.408 -10.125 1.00 0.00 C ATOM 818 C GLN A 50 -5.022 9.167 -8.821 1.00 0.00 C ATOM 819 O GLN A 50 -3.823 9.384 -8.746 1.00 0.00 O ATOM 820 CB GLN A 50 -6.585 10.700 -10.022 1.00 0.00 C ATOM 821 CG GLN A 50 -5.717 11.916 -9.738 1.00 0.00 C ATOM 822 CD GLN A 50 -6.516 13.188 -9.541 1.00 0.00 C ATOM 823 OE1 GLN A 50 -7.588 13.362 -10.117 1.00 0.00 O ATOM 824 NE2 GLN A 50 -5.996 14.085 -8.722 1.00 0.00 N ATOM 0 H GLN A 50 -7.611 8.416 -10.255 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.060 9.521 -10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.130 10.857 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.328 10.596 -9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.120 11.728 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.020 12.057 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.103 13.901 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.487 14.962 -8.548 1.00 0.00 H new ATOM 833 N GLN A 51 -5.733 8.690 -7.803 1.00 0.00 N ATOM 834 CA GLN A 51 -5.146 8.513 -6.481 1.00 0.00 C ATOM 835 C GLN A 51 -3.998 7.504 -6.492 1.00 0.00 C ATOM 836 O GLN A 51 -3.026 7.666 -5.758 1.00 0.00 O ATOM 837 CB GLN A 51 -6.213 8.085 -5.476 1.00 0.00 C ATOM 838 CG GLN A 51 -7.239 9.167 -5.175 1.00 0.00 C ATOM 839 CD GLN A 51 -8.274 8.727 -4.158 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.869 7.874 -3.228 1.00 0.00 O flip ATOM 841 NE2 GLN A 51 -9.427 9.154 -4.200 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.714 8.420 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.734 9.476 -6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.729 7.205 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.726 7.790 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.726 10.055 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.742 9.452 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.702 9.810 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.108 8.852 -3.503 1.00 0.00 H new ATOM 850 N MET A 52 -4.100 6.469 -7.320 1.00 0.00 N ATOM 851 CA MET A 52 -3.043 5.463 -7.393 1.00 0.00 C ATOM 852 C MET A 52 -1.755 6.060 -7.968 1.00 0.00 C ATOM 853 O MET A 52 -0.672 5.822 -7.438 1.00 0.00 O ATOM 854 CB MET A 52 -3.499 4.226 -8.191 1.00 0.00 C ATOM 855 CG MET A 52 -3.982 4.522 -9.600 1.00 0.00 C ATOM 856 SD MET A 52 -4.645 3.065 -10.438 1.00 0.00 S ATOM 857 CE MET A 52 -5.987 2.621 -9.337 1.00 0.00 C ATOM 0 H MET A 52 -4.891 6.305 -7.942 1.00 0.00 H new ATOM 0 HA MET A 52 -2.828 5.131 -6.377 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.670 3.521 -8.247 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.301 3.732 -7.643 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.751 5.293 -9.560 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.155 4.926 -10.184 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.878 2.393 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.703 1.746 -8.752 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.198 3.454 -8.666 1.00 0.00 H new ATOM 867 N GLN A 53 -1.869 6.864 -9.023 1.00 0.00 N ATOM 868 CA GLN A 53 -0.693 7.517 -9.599 1.00 0.00 C ATOM 869 C GLN A 53 -0.226 8.656 -8.693 1.00 0.00 C ATOM 870 O GLN A 53 0.973 8.888 -8.524 1.00 0.00 O ATOM 871 CB GLN A 53 -0.980 8.040 -11.014 1.00 0.00 C ATOM 872 CG GLN A 53 -2.027 9.137 -11.071 1.00 0.00 C ATOM 873 CD GLN A 53 -2.266 9.657 -12.470 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.126 9.156 -13.196 1.00 0.00 O ATOM 875 NE2 GLN A 53 -1.502 10.661 -12.857 1.00 0.00 N ATOM 0 H GLN A 53 -2.749 7.078 -9.492 1.00 0.00 H new ATOM 0 HA GLN A 53 0.102 6.775 -9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.052 8.416 -11.445 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.307 7.208 -11.637 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.965 8.757 -10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.715 9.963 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.802 11.044 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.611 11.054 -13.792 1.00 0.00 H new ATOM 884 N GLU A 54 -1.186 9.342 -8.096 1.00 0.00 N ATOM 885 CA GLU A 54 -0.913 10.465 -7.218 1.00 0.00 C ATOM 886 C GLU A 54 -0.130 9.997 -5.994 1.00 0.00 C ATOM 887 O GLU A 54 0.789 10.671 -5.533 1.00 0.00 O ATOM 888 CB GLU A 54 -2.243 11.107 -6.811 1.00 0.00 C ATOM 889 CG GLU A 54 -2.123 12.501 -6.225 1.00 0.00 C ATOM 890 CD GLU A 54 -3.456 13.228 -6.218 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.776 13.888 -7.232 1.00 0.00 O ATOM 892 OE2 GLU A 54 -4.192 13.138 -5.211 1.00 0.00 O ATOM 0 H GLU A 54 -2.178 9.135 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.304 11.206 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.892 11.150 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.733 10.462 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.740 12.435 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.399 13.076 -6.802 1.00 0.00 H new ATOM 899 N LEU A 55 -0.473 8.813 -5.499 1.00 0.00 N ATOM 900 CA LEU A 55 0.189 8.258 -4.332 1.00 0.00 C ATOM 901 C LEU A 55 1.526 7.625 -4.700 1.00 0.00 C ATOM 902 O LEU A 55 2.495 7.728 -3.943 1.00 0.00 O ATOM 903 CB LEU A 55 -0.706 7.230 -3.641 1.00 0.00 C ATOM 904 CG LEU A 55 -0.192 6.736 -2.291 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.063 7.897 -1.318 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.114 5.666 -1.731 1.00 0.00 C ATOM 0 H LEU A 55 -1.206 8.222 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 55 0.381 9.080 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.695 7.667 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.828 6.373 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 55 0.795 6.296 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.304 7.530 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.637 8.631 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.038 8.364 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.733 5.325 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.114 6.080 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.158 4.825 -2.423 1.00 0.00 H new ATOM 918 N SER A 56 1.582 6.977 -5.862 1.00 0.00 N ATOM 919 CA SER A 56 2.818 6.348 -6.322 1.00 0.00 C ATOM 920 C SER A 56 3.943 7.377 -6.410 1.00 0.00 C ATOM 921 O SER A 56 5.103 7.067 -6.154 1.00 0.00 O ATOM 922 CB SER A 56 2.620 5.660 -7.678 1.00 0.00 C ATOM 923 OG SER A 56 2.216 6.569 -8.687 1.00 0.00 O ATOM 0 H SER A 56 0.792 6.874 -6.498 1.00 0.00 H new ATOM 0 HA SER A 56 3.095 5.586 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.550 5.178 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.871 4.874 -7.579 1.00 0.00 H new ATOM 0 HG SER A 56 1.966 7.423 -8.277 1.00 0.00 H new ATOM 929 N ASN A 57 3.586 8.610 -6.745 1.00 0.00 N ATOM 930 CA ASN A 57 4.564 9.677 -6.881 1.00 0.00 C ATOM 931 C ASN A 57 5.131 10.076 -5.517 1.00 0.00 C ATOM 932 O ASN A 57 6.316 10.393 -5.393 1.00 0.00 O ATOM 933 CB ASN A 57 3.923 10.889 -7.559 1.00 0.00 C ATOM 934 CG ASN A 57 4.942 11.927 -7.991 1.00 0.00 C ATOM 935 OD1 ASN A 57 6.124 11.475 -8.386 1.00 0.00 O flip ATOM 936 ND2 ASN A 57 4.658 13.124 -7.993 1.00 0.00 N flip ATOM 0 H ASN A 57 2.624 8.895 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 57 5.386 9.313 -7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.358 10.556 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.211 11.349 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.736 13.430 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.344 13.810 -8.307 1.00 0.00 H new ATOM 943 N ILE A 58 4.287 10.033 -4.493 1.00 0.00 N ATOM 944 CA ILE A 58 4.675 10.453 -3.154 1.00 0.00 C ATOM 945 C ILE A 58 5.628 9.443 -2.518 1.00 0.00 C ATOM 946 O ILE A 58 6.672 9.814 -1.977 1.00 0.00 O ATOM 947 CB ILE A 58 3.442 10.623 -2.242 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.387 11.485 -2.937 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.846 11.238 -0.909 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.163 11.756 -2.088 1.00 0.00 C ATOM 0 H ILE A 58 3.323 9.709 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 58 5.180 11.414 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 58 3.013 9.640 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.838 12.436 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.077 10.991 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.964 11.351 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.567 10.589 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.297 12.216 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.461 12.373 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.686 10.812 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.459 12.279 -1.179 1.00 0.00 H new ATOM 962 N LEU A 59 5.274 8.166 -2.606 1.00 0.00 N ATOM 963 CA LEU A 59 6.061 7.108 -1.976 1.00 0.00 C ATOM 964 C LEU A 59 7.247 6.699 -2.847 1.00 0.00 C ATOM 965 O LEU A 59 7.975 5.762 -2.515 1.00 0.00 O ATOM 966 CB LEU A 59 5.181 5.888 -1.691 1.00 0.00 C ATOM 967 CG LEU A 59 4.033 6.119 -0.704 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.181 4.866 -0.584 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.565 6.527 0.660 1.00 0.00 C ATOM 0 H LEU A 59 4.448 7.837 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 59 6.449 7.501 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.761 5.536 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.813 5.088 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 59 3.414 6.931 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.369 5.044 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.766 4.613 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.796 4.040 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.731 6.685 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.209 5.739 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.137 7.450 0.566 1.00 0.00 H new ATOM 981 N ASN A 60 7.431 7.418 -3.952 1.00 0.00 N ATOM 982 CA ASN A 60 8.482 7.124 -4.924 1.00 0.00 C ATOM 983 C ASN A 60 8.347 5.689 -5.423 1.00 0.00 C ATOM 984 O ASN A 60 9.196 4.832 -5.174 1.00 0.00 O ATOM 985 CB ASN A 60 9.879 7.377 -4.339 1.00 0.00 C ATOM 986 CG ASN A 60 10.968 7.322 -5.400 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.249 8.319 -6.066 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.594 6.166 -5.559 1.00 0.00 N ATOM 0 H ASN A 60 6.855 8.222 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 60 8.362 7.801 -5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.896 8.353 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.088 6.635 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.337 6.080 -6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.333 5.362 -4.988 1.00 0.00 H new ATOM 995 N LEU A 61 7.237 5.438 -6.092 1.00 0.00 N ATOM 996 CA LEU A 61 6.949 4.141 -6.675 1.00 0.00 C ATOM 997 C LEU A 61 6.366 4.329 -8.063 1.00 0.00 C ATOM 998 O LEU A 61 6.060 5.448 -8.473 1.00 0.00 O ATOM 999 CB LEU A 61 5.967 3.356 -5.799 1.00 0.00 C ATOM 1000 CG LEU A 61 6.506 2.910 -4.437 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.403 2.255 -3.622 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.675 1.950 -4.613 1.00 0.00 C ATOM 0 H LEU A 61 6.506 6.132 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 61 7.877 3.573 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.082 3.971 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.644 2.472 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 61 6.861 3.790 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.801 1.943 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.593 2.967 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.024 1.384 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.045 1.644 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.344 1.072 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.474 2.447 -5.164 1.00 0.00 H new ATOM 1014 N SER A 62 6.220 3.238 -8.785 1.00 0.00 N ATOM 1015 CA SER A 62 5.656 3.285 -10.119 1.00 0.00 C ATOM 1016 C SER A 62 4.135 3.208 -10.058 1.00 0.00 C ATOM 1017 O SER A 62 3.570 2.559 -9.172 1.00 0.00 O ATOM 1018 CB SER A 62 6.222 2.137 -10.956 1.00 0.00 C ATOM 1019 OG SER A 62 5.587 2.046 -12.220 1.00 0.00 O ATOM 0 H SER A 62 6.485 2.305 -8.470 1.00 0.00 H new ATOM 0 HA SER A 62 5.927 4.231 -10.588 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.293 2.283 -11.097 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.096 1.198 -10.417 1.00 0.00 H new ATOM 0 HG SER A 62 5.975 1.303 -12.728 1.00 0.00 H new ATOM 1025 N TYR A 63 3.485 3.882 -10.996 1.00 0.00 N ATOM 1026 CA TYR A 63 2.038 3.836 -11.130 1.00 0.00 C ATOM 1027 C TYR A 63 1.584 2.399 -11.324 1.00 0.00 C ATOM 1028 O TYR A 63 0.561 1.983 -10.791 1.00 0.00 O ATOM 1029 CB TYR A 63 1.594 4.711 -12.312 1.00 0.00 C ATOM 1030 CG TYR A 63 0.196 4.428 -12.820 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.924 4.855 -12.122 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.003 3.727 -14.004 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.197 4.596 -12.591 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.266 3.464 -14.478 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.362 3.898 -13.768 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.630 3.636 -14.238 1.00 0.00 O ATOM 0 H TYR A 63 3.947 4.476 -11.685 1.00 0.00 H new ATOM 0 HA TYR A 63 1.578 4.225 -10.221 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.652 5.758 -12.013 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.298 4.574 -13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.799 5.399 -11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.861 3.382 -14.563 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.059 4.939 -12.038 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.398 2.920 -15.402 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.570 3.136 -15.079 1.00 0.00 H new ATOM 1046 N LYS A 64 2.386 1.638 -12.058 1.00 0.00 N ATOM 1047 CA LYS A 64 2.085 0.249 -12.337 1.00 0.00 C ATOM 1048 C LYS A 64 2.254 -0.586 -11.077 1.00 0.00 C ATOM 1049 O LYS A 64 1.500 -1.530 -10.841 1.00 0.00 O ATOM 1050 CB LYS A 64 2.999 -0.265 -13.448 1.00 0.00 C ATOM 1051 CG LYS A 64 2.812 0.468 -14.765 1.00 0.00 C ATOM 1052 CD LYS A 64 3.767 -0.042 -15.831 1.00 0.00 C ATOM 1053 CE LYS A 64 3.554 0.672 -17.156 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.747 2.143 -17.037 1.00 0.00 N ATOM 0 H LYS A 64 3.257 1.968 -12.472 1.00 0.00 H new ATOM 0 HA LYS A 64 1.050 0.166 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.037 -0.167 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.811 -1.328 -13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.785 0.345 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.972 1.536 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.795 0.103 -15.499 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.624 -1.114 -15.967 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.248 0.275 -17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.547 0.467 -17.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.811 2.563 -17.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.941 2.559 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.624 2.337 -16.513 1.00 0.00 H new ATOM 1068 N GLN A 65 3.236 -0.217 -10.262 1.00 0.00 N ATOM 1069 CA GLN A 65 3.475 -0.896 -8.995 1.00 0.00 C ATOM 1070 C GLN A 65 2.306 -0.670 -8.047 1.00 0.00 C ATOM 1071 O GLN A 65 1.821 -1.608 -7.412 1.00 0.00 O ATOM 1072 CB GLN A 65 4.769 -0.396 -8.347 1.00 0.00 C ATOM 1073 CG GLN A 65 6.028 -0.722 -9.137 1.00 0.00 C ATOM 1074 CD GLN A 65 6.318 -2.209 -9.203 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.869 -2.902 -10.115 1.00 0.00 O ATOM 1076 NE2 GLN A 65 7.082 -2.700 -8.240 1.00 0.00 N ATOM 0 H GLN A 65 3.880 0.550 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 65 3.574 -1.963 -9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.704 0.684 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.855 -0.831 -7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.926 -0.332 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.877 -0.212 -8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.432 -2.087 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.321 -3.692 -8.234 1.00 0.00 H new ATOM 1085 N VAL A 66 1.841 0.574 -7.971 1.00 0.00 N ATOM 1086 CA VAL A 66 0.729 0.906 -7.081 1.00 0.00 C ATOM 1087 C VAL A 66 -0.585 0.359 -7.634 1.00 0.00 C ATOM 1088 O VAL A 66 -1.427 -0.137 -6.883 1.00 0.00 O ATOM 1089 CB VAL A 66 0.626 2.425 -6.822 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.632 2.762 -6.033 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.858 2.896 -6.068 1.00 0.00 C ATOM 0 H VAL A 66 2.210 1.360 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 66 0.928 0.430 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 66 0.568 2.938 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.679 3.838 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.510 2.444 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.609 2.246 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.785 3.968 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.925 2.369 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.749 2.689 -6.661 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.740 0.426 -8.951 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.911 -0.128 -9.624 1.00 0.00 C ATOM 1103 C LYS A 67 -2.023 -1.619 -9.320 1.00 0.00 C ATOM 1104 O LYS A 67 -3.095 -2.124 -8.977 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.786 0.093 -11.138 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.105 0.261 -11.885 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.963 -0.994 -11.851 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.148 -0.877 -12.797 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.984 0.316 -12.502 1.00 0.00 N ATOM 0 H LYS A 67 -0.064 0.862 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.808 0.375 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.175 0.979 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.249 -0.752 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.663 1.089 -11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.899 0.527 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.359 -1.858 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.321 -1.166 -10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.787 -0.821 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.761 -1.776 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.873 0.259 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.196 0.348 -11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.469 1.177 -12.776 1.00 0.00 H new ATOM 1123 N THR A 68 -0.895 -2.304 -9.432 1.00 0.00 N ATOM 1124 CA THR A 68 -0.827 -3.735 -9.192 1.00 0.00 C ATOM 1125 C THR A 68 -1.156 -4.067 -7.744 1.00 0.00 C ATOM 1126 O THR A 68 -1.990 -4.927 -7.483 1.00 0.00 O ATOM 1127 CB THR A 68 0.565 -4.294 -9.548 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.810 -4.119 -10.948 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.674 -5.769 -9.191 1.00 0.00 C ATOM 0 H THR A 68 -0.003 -1.883 -9.692 1.00 0.00 H new ATOM 0 HA THR A 68 -1.570 -4.204 -9.837 1.00 0.00 H new ATOM 0 HB THR A 68 1.310 -3.747 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.864 -3.162 -11.154 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.667 -6.135 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.512 -5.897 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.078 -6.333 -9.742 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.520 -3.367 -6.809 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.729 -3.633 -5.390 1.00 0.00 C ATOM 1139 C TRP A 69 -2.190 -3.403 -5.017 1.00 0.00 C ATOM 1140 O TRP A 69 -2.790 -4.215 -4.314 1.00 0.00 O ATOM 1141 CB TRP A 69 0.178 -2.748 -4.533 1.00 0.00 C ATOM 1142 CG TRP A 69 0.212 -3.160 -3.092 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.043 -4.085 -2.529 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.623 -2.674 -2.034 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.782 -4.199 -1.185 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.238 -3.347 -0.857 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.659 -1.738 -1.965 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.850 -3.109 0.370 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.265 -1.505 -0.746 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.860 -2.189 0.406 1.00 0.00 C ATOM 0 H TRP A 69 0.141 -2.616 -7.007 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.475 -4.676 -5.198 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.190 -2.777 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.163 -1.715 -4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.796 -4.646 -3.063 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.269 -4.818 -0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.980 -1.207 -2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.538 -3.632 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.065 -0.783 -0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -2.356 -1.985 1.343 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.758 -2.306 -5.507 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.156 -1.979 -5.240 1.00 0.00 C ATOM 1163 C PHE A 70 -5.077 -3.089 -5.738 1.00 0.00 C ATOM 1164 O PHE A 70 -5.963 -3.548 -5.015 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.526 -0.651 -5.909 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.964 -0.249 -5.720 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.401 0.268 -4.511 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.875 -0.386 -6.755 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.721 0.637 -4.338 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.196 -0.019 -6.586 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.620 0.496 -5.375 1.00 0.00 C ATOM 0 H PHE A 70 -2.272 -1.627 -6.092 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.284 -1.882 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.885 0.135 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.317 -0.723 -6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.702 0.384 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.549 -0.784 -7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.050 1.036 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.897 -0.134 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.651 0.787 -5.241 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.849 -3.526 -6.969 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.684 -4.551 -7.582 1.00 0.00 C ATOM 1183 C GLN A 71 -5.465 -5.900 -6.899 1.00 0.00 C ATOM 1184 O GLN A 71 -6.413 -6.626 -6.614 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.366 -4.654 -9.078 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.350 -5.508 -9.861 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.742 -4.904 -9.917 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.825 -3.582 -9.880 1.00 0.00 O flip ATOM 1189 NE2 GLN A 71 -8.737 -5.619 -9.999 1.00 0.00 N flip ATOM 0 H GLN A 71 -4.093 -3.187 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.730 -4.271 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.350 -3.652 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.365 -5.068 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.977 -5.644 -10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.407 -6.497 -9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.635 -6.634 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.665 -5.198 -10.041 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.207 -6.204 -6.621 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.816 -7.465 -6.005 1.00 0.00 C ATOM 1200 C ASN A 72 -4.398 -7.585 -4.608 1.00 0.00 C ATOM 1201 O ASN A 72 -5.025 -8.592 -4.275 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.287 -7.573 -5.952 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.797 -8.756 -5.135 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.563 -8.639 -3.930 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.620 -9.897 -5.785 1.00 0.00 N ATOM 0 H ASN A 72 -3.424 -5.581 -6.817 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.209 -8.281 -6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.900 -7.656 -6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.879 -6.655 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.279 -10.720 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.825 -9.953 -6.783 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.204 -6.549 -3.801 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.712 -6.539 -2.439 1.00 0.00 C ATOM 1214 C GLN A 73 -6.227 -6.688 -2.443 1.00 0.00 C ATOM 1215 O GLN A 73 -6.797 -7.388 -1.606 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.302 -5.247 -1.728 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.669 -5.214 -0.253 1.00 0.00 C ATOM 1218 CD GLN A 73 -4.024 -6.337 0.539 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.932 -6.801 0.214 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -4.702 -6.787 1.582 1.00 0.00 N ATOM 0 H GLN A 73 -3.698 -5.705 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.281 -7.381 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.225 -5.115 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.774 -4.402 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.366 -4.256 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.752 -5.279 -0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.605 -6.376 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.322 -7.545 2.149 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.870 -6.046 -3.407 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.313 -6.147 -3.557 1.00 0.00 C ATOM 1231 C ARG A 74 -8.718 -7.558 -3.976 1.00 0.00 C ATOM 1232 O ARG A 74 -9.603 -8.160 -3.362 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.816 -5.120 -4.580 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.315 -5.173 -4.869 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.161 -4.881 -3.634 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.236 -6.027 -2.725 1.00 0.00 N ATOM 1237 CZ ARG A 74 -11.891 -6.027 -1.562 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.547 -4.949 -1.158 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -11.891 -7.122 -0.806 1.00 0.00 N ATOM 0 H ARG A 74 -6.414 -5.449 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.773 -5.933 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.566 -4.121 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.276 -5.268 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.557 -4.451 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.572 -6.159 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.741 -4.027 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.167 -4.600 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.755 -6.884 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.554 -4.110 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.045 -4.959 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.392 -7.956 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.390 -7.128 0.084 1.00 0.00 H new ATOM 1253 N MET A 75 -8.055 -8.096 -4.998 1.00 0.00 N ATOM 1254 CA MET A 75 -8.463 -9.381 -5.563 1.00 0.00 C ATOM 1255 C MET A 75 -8.171 -10.540 -4.609 1.00 0.00 C ATOM 1256 O MET A 75 -8.970 -11.472 -4.501 1.00 0.00 O ATOM 1257 CB MET A 75 -7.799 -9.633 -6.925 1.00 0.00 C ATOM 1258 CG MET A 75 -6.294 -9.862 -6.861 1.00 0.00 C ATOM 1259 SD MET A 75 -5.579 -10.292 -8.462 1.00 0.00 S ATOM 1260 CE MET A 75 -6.498 -11.779 -8.852 1.00 0.00 C ATOM 0 H MET A 75 -7.244 -7.670 -5.447 1.00 0.00 H new ATOM 0 HA MET A 75 -9.542 -9.330 -5.711 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.267 -10.502 -7.388 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.997 -8.781 -7.575 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.810 -8.961 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.083 -10.660 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.843 -12.491 -9.354 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.879 -12.223 -7.932 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.332 -11.530 -9.507 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.045 -10.485 -3.901 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.655 -11.596 -3.045 1.00 0.00 C ATOM 1272 C LYS A 76 -7.409 -11.559 -1.722 1.00 0.00 C ATOM 1273 O LYS A 76 -7.643 -12.599 -1.112 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.140 -11.620 -2.812 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.611 -10.526 -1.898 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.090 -10.522 -1.878 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.521 -11.884 -1.500 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.049 -11.955 -1.693 1.00 0.00 N ATOM 0 H LYS A 76 -6.398 -9.696 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.924 -12.517 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.868 -12.588 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.638 -11.540 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.977 -9.556 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.991 -10.676 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.715 -10.232 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.739 -9.773 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.759 -12.098 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.001 -12.655 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.709 -12.900 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.821 -11.777 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.586 -11.237 -1.099 1.00 0.00 H new