USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=18 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 63 TYR OH : rot -39:sc= 1.17 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 178:sc= 1.26 (180deg=-0.0149) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.04 K(o=2.1,f=0.57) USER MOD Set 2.2: A 42 GLN : amide:sc= 1.1 K(o=2.1,f=0.57) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00877 USER MOD Single : A 33 GLN :FLIP amide:sc= 0.66 F(o=-1.5,f=0.66) USER MOD Single : A 35 CYS SG : rot 74:sc= 1.17 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.786 F(o=-5.4!,f=-0.79) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 51 GLN : amide:sc= -0.103 K(o=-0.1,f=-9.3!) USER MOD Single : A 52 MET CE :methyl 140:sc= -0.37 (180deg=-1.17) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.917 F(o=-2.6!,f=-0.92) USER MOD Single : A 56 SER OG : rot 19:sc= 0.502 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.0441 X(o=0.044,f=0) USER MOD Single : A 62 SER OG : rot 176:sc= -0.939 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00939 (180deg=-0.145) USER MOD Single : A 65 GLN : amide:sc= 0.737 K(o=0.74,f=-5.2!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 1.23 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0854 F(o=-1.1,f=-0.085) USER MOD Single : A 72 ASN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 75 MET CE :methyl -136:sc= -2.81 (180deg=-5.73!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.702 0.014 3.914 1.00 0.00 N ATOM 479 CA SER A 30 9.149 1.074 4.792 1.00 0.00 C ATOM 480 C SER A 30 7.980 1.549 5.643 1.00 0.00 C ATOM 481 O SER A 30 6.818 1.388 5.252 1.00 0.00 O ATOM 482 CB SER A 30 9.728 2.234 3.976 1.00 0.00 C ATOM 483 OG SER A 30 10.413 3.155 4.807 1.00 0.00 O ATOM 0 HA SER A 30 9.935 0.695 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.410 1.845 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.924 2.746 3.447 1.00 0.00 H new ATOM 0 HG SER A 30 10.773 3.884 4.260 1.00 0.00 H new ATOM 489 N SER A 31 8.289 2.123 6.798 1.00 0.00 N ATOM 490 CA SER A 31 7.275 2.622 7.714 1.00 0.00 C ATOM 491 C SER A 31 6.370 3.634 7.019 1.00 0.00 C ATOM 492 O SER A 31 5.156 3.625 7.211 1.00 0.00 O ATOM 493 CB SER A 31 7.952 3.250 8.930 1.00 0.00 C ATOM 494 OG SER A 31 9.044 4.063 8.530 1.00 0.00 O ATOM 0 H SER A 31 9.246 2.255 7.125 1.00 0.00 H new ATOM 0 HA SER A 31 6.653 1.790 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.230 3.849 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.302 2.467 9.603 1.00 0.00 H new ATOM 0 HG SER A 31 9.465 4.459 9.322 1.00 0.00 H new ATOM 500 N THR A 32 6.970 4.483 6.188 1.00 0.00 N ATOM 501 CA THR A 32 6.230 5.484 5.434 1.00 0.00 C ATOM 502 C THR A 32 5.184 4.832 4.535 1.00 0.00 C ATOM 503 O THR A 32 4.018 5.233 4.531 1.00 0.00 O ATOM 504 CB THR A 32 7.187 6.332 4.580 1.00 0.00 C ATOM 505 OG1 THR A 32 8.148 5.476 3.942 1.00 0.00 O ATOM 506 CG2 THR A 32 7.901 7.370 5.432 1.00 0.00 C ATOM 0 H THR A 32 7.976 4.495 6.021 1.00 0.00 H new ATOM 0 HA THR A 32 5.721 6.129 6.151 1.00 0.00 H new ATOM 0 HB THR A 32 6.605 6.857 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.757 6.017 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.572 7.957 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.166 8.030 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.477 6.869 6.210 1.00 0.00 H new ATOM 514 N GLN A 33 5.607 3.809 3.797 1.00 0.00 N ATOM 515 CA GLN A 33 4.713 3.080 2.902 1.00 0.00 C ATOM 516 C GLN A 33 3.532 2.511 3.674 1.00 0.00 C ATOM 517 O GLN A 33 2.377 2.681 3.282 1.00 0.00 O ATOM 518 CB GLN A 33 5.464 1.946 2.200 1.00 0.00 C ATOM 519 CG GLN A 33 6.656 2.408 1.381 1.00 0.00 C ATOM 520 CD GLN A 33 7.338 1.257 0.672 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.909 0.978 -0.546 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 8.237 0.622 1.219 1.00 0.00 N flip ATOM 0 H GLN A 33 6.567 3.465 3.802 1.00 0.00 H new ATOM 0 HA GLN A 33 4.342 3.778 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.806 1.232 2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.771 1.415 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.328 3.143 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.372 2.907 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.537 0.872 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.683 -0.155 0.731 1.00 0.00 H new ATOM 531 N LEU A 34 3.832 1.857 4.787 1.00 0.00 N ATOM 532 CA LEU A 34 2.802 1.243 5.614 1.00 0.00 C ATOM 533 C LEU A 34 1.849 2.289 6.197 1.00 0.00 C ATOM 534 O LEU A 34 0.676 2.002 6.433 1.00 0.00 O ATOM 535 CB LEU A 34 3.442 0.430 6.741 1.00 0.00 C ATOM 536 CG LEU A 34 4.326 -0.734 6.281 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.965 -1.426 7.475 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.516 -1.727 5.457 1.00 0.00 C ATOM 0 H LEU A 34 4.782 1.738 5.139 1.00 0.00 H new ATOM 0 HA LEU A 34 2.219 0.578 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.042 1.100 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.651 0.035 7.378 1.00 0.00 H new ATOM 0 HG LEU A 34 5.121 -0.333 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.589 -2.250 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.579 -0.712 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.186 -1.813 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.160 -2.547 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.699 -2.121 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.108 -1.225 4.580 1.00 0.00 H new ATOM 550 N CYS A 35 2.351 3.496 6.428 1.00 0.00 N ATOM 551 CA CYS A 35 1.524 4.569 6.966 1.00 0.00 C ATOM 552 C CYS A 35 0.585 5.126 5.898 1.00 0.00 C ATOM 553 O CYS A 35 -0.608 5.296 6.145 1.00 0.00 O ATOM 554 CB CYS A 35 2.394 5.692 7.540 1.00 0.00 C ATOM 555 SG CYS A 35 3.433 5.182 8.929 1.00 0.00 S ATOM 0 H CYS A 35 3.322 3.756 6.252 1.00 0.00 H new ATOM 0 HA CYS A 35 0.920 4.150 7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.032 6.084 6.748 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.748 6.508 7.863 1.00 0.00 H new ATOM 0 HG CYS A 35 4.422 4.462 8.490 1.00 0.00 H new ATOM 561 N VAL A 36 1.120 5.390 4.710 1.00 0.00 N ATOM 562 CA VAL A 36 0.329 5.966 3.624 1.00 0.00 C ATOM 563 C VAL A 36 -0.769 5.001 3.174 1.00 0.00 C ATOM 564 O VAL A 36 -1.905 5.415 2.918 1.00 0.00 O ATOM 565 CB VAL A 36 1.209 6.355 2.415 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.368 6.994 1.317 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.316 7.302 2.849 1.00 0.00 C ATOM 0 H VAL A 36 2.097 5.215 4.473 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.132 6.873 4.015 1.00 0.00 H new ATOM 0 HB VAL A 36 1.661 5.447 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.009 7.260 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.393 6.288 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.114 7.892 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.927 7.567 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.877 8.205 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.939 6.814 3.599 1.00 0.00 H new ATOM 577 N LEU A 37 -0.433 3.715 3.090 1.00 0.00 N ATOM 578 CA LEU A 37 -1.414 2.693 2.729 1.00 0.00 C ATOM 579 C LEU A 37 -2.509 2.615 3.789 1.00 0.00 C ATOM 580 O LEU A 37 -3.696 2.555 3.471 1.00 0.00 O ATOM 581 CB LEU A 37 -0.742 1.323 2.568 1.00 0.00 C ATOM 582 CG LEU A 37 0.285 1.221 1.438 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.899 -0.170 1.408 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.358 1.542 0.099 1.00 0.00 C ATOM 0 H LEU A 37 0.506 3.357 3.266 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.860 2.972 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.250 1.067 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.517 0.575 2.400 1.00 0.00 H new ATOM 0 HG LEU A 37 1.075 1.949 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.628 -0.229 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.394 -0.370 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.116 -0.910 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.389 1.464 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.166 0.837 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.758 2.556 0.121 1.00 0.00 H new ATOM 596 N ASN A 38 -2.092 2.652 5.051 1.00 0.00 N ATOM 597 CA ASN A 38 -3.008 2.585 6.186 1.00 0.00 C ATOM 598 C ASN A 38 -3.969 3.768 6.167 1.00 0.00 C ATOM 599 O ASN A 38 -5.175 3.614 6.363 1.00 0.00 O ATOM 600 CB ASN A 38 -2.203 2.588 7.489 1.00 0.00 C ATOM 601 CG ASN A 38 -3.068 2.550 8.734 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.146 1.968 8.739 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.595 3.177 9.803 1.00 0.00 N ATOM 0 H ASN A 38 -1.110 2.729 5.316 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.591 1.666 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.533 1.728 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.577 3.480 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.134 3.186 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.693 3.650 9.759 1.00 0.00 H new ATOM 610 N ASP A 39 -3.417 4.943 5.904 1.00 0.00 N ATOM 611 CA ASP A 39 -4.180 6.185 5.899 1.00 0.00 C ATOM 612 C ASP A 39 -5.293 6.144 4.861 1.00 0.00 C ATOM 613 O ASP A 39 -6.430 6.522 5.132 1.00 0.00 O ATOM 614 CB ASP A 39 -3.245 7.363 5.610 1.00 0.00 C ATOM 615 CG ASP A 39 -3.975 8.684 5.471 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.563 8.938 4.397 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.952 9.485 6.429 1.00 0.00 O ATOM 0 H ASP A 39 -2.428 5.064 5.688 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.636 6.309 6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.513 7.443 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.692 7.163 4.693 1.00 0.00 H new ATOM 622 N ARG A 40 -4.952 5.675 3.673 1.00 0.00 N ATOM 623 CA ARG A 40 -5.881 5.671 2.556 1.00 0.00 C ATOM 624 C ARG A 40 -6.899 4.543 2.679 1.00 0.00 C ATOM 625 O ARG A 40 -8.103 4.773 2.607 1.00 0.00 O ATOM 626 CB ARG A 40 -5.127 5.554 1.228 1.00 0.00 C ATOM 627 CG ARG A 40 -4.800 6.893 0.569 1.00 0.00 C ATOM 628 CD ARG A 40 -3.866 7.750 1.410 1.00 0.00 C ATOM 629 NE ARG A 40 -3.441 8.948 0.682 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.132 10.113 1.253 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.233 10.274 2.566 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.755 11.131 0.495 1.00 0.00 N ATOM 0 H ARG A 40 -4.033 5.290 3.456 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.421 6.618 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.198 5.010 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.723 4.958 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.343 6.712 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.725 7.440 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.369 8.042 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.991 7.166 1.695 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.377 8.887 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.550 9.501 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.993 11.170 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.703 11.021 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.517 12.025 0.924 1.00 0.00 H new ATOM 646 N PHE A 41 -6.410 3.331 2.891 1.00 0.00 N ATOM 647 CA PHE A 41 -7.250 2.139 2.827 1.00 0.00 C ATOM 648 C PHE A 41 -8.194 1.996 4.016 1.00 0.00 C ATOM 649 O PHE A 41 -9.179 1.266 3.934 1.00 0.00 O ATOM 650 CB PHE A 41 -6.387 0.895 2.673 1.00 0.00 C ATOM 651 CG PHE A 41 -5.831 0.790 1.289 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.691 0.825 0.210 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.472 0.684 1.062 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.212 0.755 -1.072 1.00 0.00 C ATOM 655 CE2 PHE A 41 -3.983 0.609 -0.228 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.857 0.644 -1.298 1.00 0.00 C ATOM 0 H PHE A 41 -5.432 3.144 3.110 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.886 2.254 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.570 0.924 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.979 0.008 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.755 0.909 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.788 0.660 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.897 0.787 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.920 0.523 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.479 0.585 -2.308 1.00 0.00 H new ATOM 666 N GLN A 42 -7.901 2.654 5.127 1.00 0.00 N ATOM 667 CA GLN A 42 -8.803 2.572 6.277 1.00 0.00 C ATOM 668 C GLN A 42 -9.805 3.722 6.300 1.00 0.00 C ATOM 669 O GLN A 42 -10.733 3.727 7.108 1.00 0.00 O ATOM 670 CB GLN A 42 -8.044 2.494 7.604 1.00 0.00 C ATOM 671 CG GLN A 42 -7.464 1.118 7.875 1.00 0.00 C ATOM 672 CD GLN A 42 -7.432 0.766 9.349 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.392 0.213 9.888 1.00 0.00 O ATOM 674 NE2 GLN A 42 -6.327 1.066 10.007 1.00 0.00 N ATOM 0 H GLN A 42 -7.074 3.235 5.261 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.360 1.643 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.238 3.228 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.717 2.765 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.052 0.371 7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.451 1.072 7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.554 1.524 9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.246 0.840 10.998 1.00 0.00 H new ATOM 683 N ARG A 43 -9.621 4.695 5.420 1.00 0.00 N ATOM 684 CA ARG A 43 -10.549 5.815 5.331 1.00 0.00 C ATOM 685 C ARG A 43 -11.364 5.755 4.042 1.00 0.00 C ATOM 686 O ARG A 43 -12.476 6.291 3.965 1.00 0.00 O ATOM 687 CB ARG A 43 -9.795 7.139 5.425 1.00 0.00 C ATOM 688 CG ARG A 43 -9.036 7.298 6.730 1.00 0.00 C ATOM 689 CD ARG A 43 -8.555 8.724 6.927 1.00 0.00 C ATOM 690 NE ARG A 43 -7.591 9.122 5.906 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.510 10.352 5.403 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.367 11.291 5.781 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.566 10.642 4.520 1.00 0.00 N ATOM 0 H ARG A 43 -8.843 4.733 4.761 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.242 5.746 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.095 7.212 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.502 7.962 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.679 7.012 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.182 6.621 6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.409 9.401 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.100 8.820 7.913 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.942 8.417 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.095 11.073 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.298 12.231 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.904 9.924 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.502 11.584 4.133 1.00 0.00 H new ATOM 707 N GLN A 44 -10.813 5.102 3.029 1.00 0.00 N ATOM 708 CA GLN A 44 -11.508 4.923 1.764 1.00 0.00 C ATOM 709 C GLN A 44 -11.841 3.448 1.570 1.00 0.00 C ATOM 710 O GLN A 44 -11.368 2.600 2.322 1.00 0.00 O ATOM 711 CB GLN A 44 -10.642 5.412 0.598 1.00 0.00 C ATOM 712 CG GLN A 44 -10.122 6.841 0.742 1.00 0.00 C ATOM 713 CD GLN A 44 -11.184 7.918 0.563 1.00 0.00 C ATOM 714 OE1 GLN A 44 -12.413 7.645 0.979 1.00 0.00 O flip ATOM 715 NE2 GLN A 44 -10.890 9.006 0.070 1.00 0.00 N flip ATOM 0 H GLN A 44 -9.882 4.686 3.060 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.427 5.509 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.791 4.740 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.223 5.343 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.671 6.953 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.331 7.002 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.935 9.184 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.601 9.730 -0.029 1.00 0.00 H new ATOM 724 N LYS A 45 -12.653 3.146 0.566 1.00 0.00 N ATOM 725 CA LYS A 45 -12.957 1.758 0.237 1.00 0.00 C ATOM 726 C LYS A 45 -11.825 1.163 -0.597 1.00 0.00 C ATOM 727 O LYS A 45 -11.346 0.063 -0.326 1.00 0.00 O ATOM 728 CB LYS A 45 -14.293 1.646 -0.513 1.00 0.00 C ATOM 729 CG LYS A 45 -14.425 2.601 -1.693 1.00 0.00 C ATOM 730 CD LYS A 45 -15.623 2.265 -2.568 1.00 0.00 C ATOM 731 CE LYS A 45 -15.450 0.919 -3.251 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.524 0.652 -4.242 1.00 0.00 N ATOM 0 H LYS A 45 -13.110 3.836 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.049 1.196 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.412 0.624 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.107 1.835 0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.521 3.622 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.516 2.563 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.528 2.253 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.755 3.042 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.481 0.888 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.447 0.130 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.366 -0.276 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.447 0.655 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.512 1.390 -4.975 1.00 0.00 H new ATOM 746 N TYR A 46 -11.403 1.921 -1.600 1.00 0.00 N ATOM 747 CA TYR A 46 -10.309 1.544 -2.483 1.00 0.00 C ATOM 748 C TYR A 46 -9.683 2.811 -3.039 1.00 0.00 C ATOM 749 O TYR A 46 -10.138 3.913 -2.725 1.00 0.00 O ATOM 750 CB TYR A 46 -10.793 0.665 -3.645 1.00 0.00 C ATOM 751 CG TYR A 46 -11.123 -0.762 -3.261 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.130 -1.633 -2.833 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.426 -1.236 -3.334 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.426 -2.937 -2.485 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.731 -2.540 -2.988 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.726 -3.386 -2.566 1.00 0.00 C ATOM 757 OH TYR A 46 -12.023 -4.685 -2.223 1.00 0.00 O ATOM 0 H TYR A 46 -11.816 2.826 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.583 0.967 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.679 1.123 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.024 0.651 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.109 -1.285 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.214 -0.576 -3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.642 -3.601 -2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.750 -2.894 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.984 -4.841 -2.335 1.00 0.00 H new ATOM 767 N LEU A 47 -8.661 2.666 -3.864 1.00 0.00 N ATOM 768 CA LEU A 47 -8.035 3.819 -4.483 1.00 0.00 C ATOM 769 C LEU A 47 -8.449 3.941 -5.939 1.00 0.00 C ATOM 770 O LEU A 47 -8.494 2.954 -6.673 1.00 0.00 O ATOM 771 CB LEU A 47 -6.513 3.740 -4.374 1.00 0.00 C ATOM 772 CG LEU A 47 -5.965 3.816 -2.951 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.446 3.829 -2.964 1.00 0.00 C ATOM 774 CD2 LEU A 47 -6.496 5.046 -2.232 1.00 0.00 C ATOM 0 H LEU A 47 -8.250 1.768 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.373 4.707 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.179 2.807 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.079 4.551 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.301 2.931 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.074 3.883 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.078 2.918 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.094 4.695 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.092 5.079 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.193 5.943 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.584 5.000 -2.187 1.00 0.00 H new ATOM 786 N SER A 48 -8.766 5.155 -6.342 1.00 0.00 N ATOM 787 CA SER A 48 -9.131 5.434 -7.712 1.00 0.00 C ATOM 788 C SER A 48 -7.877 5.708 -8.535 1.00 0.00 C ATOM 789 O SER A 48 -6.756 5.640 -8.022 1.00 0.00 O ATOM 790 CB SER A 48 -10.101 6.622 -7.771 1.00 0.00 C ATOM 791 OG SER A 48 -10.569 6.844 -9.091 1.00 0.00 O ATOM 0 H SER A 48 -8.777 5.971 -5.730 1.00 0.00 H new ATOM 0 HA SER A 48 -9.637 4.566 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.947 6.435 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.602 7.519 -7.405 1.00 0.00 H new ATOM 0 HG SER A 48 -11.186 7.606 -9.096 1.00 0.00 H new ATOM 797 N LEU A 49 -8.079 6.030 -9.799 1.00 0.00 N ATOM 798 CA LEU A 49 -6.998 6.251 -10.731 1.00 0.00 C ATOM 799 C LEU A 49 -6.121 7.408 -10.276 1.00 0.00 C ATOM 800 O LEU A 49 -4.901 7.371 -10.424 1.00 0.00 O ATOM 801 CB LEU A 49 -7.582 6.541 -12.105 1.00 0.00 C ATOM 802 CG LEU A 49 -8.509 5.457 -12.659 1.00 0.00 C ATOM 803 CD1 LEU A 49 -9.051 5.864 -14.019 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.779 4.122 -12.748 1.00 0.00 C ATOM 0 H LEU A 49 -9.007 6.146 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.375 5.357 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.134 7.480 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.762 6.689 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.350 5.341 -11.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.708 5.081 -14.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.612 6.794 -13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.223 6.009 -14.712 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.454 3.364 -13.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.918 4.222 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.442 3.825 -11.755 1.00 0.00 H new ATOM 816 N GLN A 50 -6.751 8.419 -9.693 1.00 0.00 N ATOM 817 CA GLN A 50 -6.031 9.594 -9.218 1.00 0.00 C ATOM 818 C GLN A 50 -5.257 9.263 -7.947 1.00 0.00 C ATOM 819 O GLN A 50 -4.151 9.748 -7.729 1.00 0.00 O ATOM 820 CB GLN A 50 -7.004 10.744 -8.949 1.00 0.00 C ATOM 821 CG GLN A 50 -6.321 12.019 -8.483 1.00 0.00 C ATOM 822 CD GLN A 50 -7.303 13.105 -8.096 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.413 12.824 -7.639 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.905 14.352 -8.278 1.00 0.00 N ATOM 0 H GLN A 50 -7.759 8.450 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.327 9.901 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.566 10.954 -9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.725 10.430 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.683 11.792 -7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.672 12.389 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.978 14.541 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.525 15.125 -8.037 1.00 0.00 H new ATOM 833 N GLN A 51 -5.847 8.421 -7.115 1.00 0.00 N ATOM 834 CA GLN A 51 -5.264 8.089 -5.829 1.00 0.00 C ATOM 835 C GLN A 51 -4.097 7.112 -5.967 1.00 0.00 C ATOM 836 O GLN A 51 -3.156 7.152 -5.178 1.00 0.00 O ATOM 837 CB GLN A 51 -6.344 7.534 -4.906 1.00 0.00 C ATOM 838 CG GLN A 51 -7.391 8.572 -4.526 1.00 0.00 C ATOM 839 CD GLN A 51 -8.614 7.965 -3.880 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.988 6.836 -4.183 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.248 8.713 -2.990 1.00 0.00 N ATOM 0 H GLN A 51 -6.733 7.954 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.856 9.000 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.835 6.692 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.877 7.148 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.947 9.295 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.692 9.120 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.901 9.646 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.083 8.356 -2.526 1.00 0.00 H new ATOM 850 N MET A 52 -4.147 6.239 -6.972 1.00 0.00 N ATOM 851 CA MET A 52 -3.056 5.287 -7.204 1.00 0.00 C ATOM 852 C MET A 52 -1.830 5.986 -7.792 1.00 0.00 C ATOM 853 O MET A 52 -0.699 5.626 -7.478 1.00 0.00 O ATOM 854 CB MET A 52 -3.507 4.114 -8.093 1.00 0.00 C ATOM 855 CG MET A 52 -4.034 4.515 -9.461 1.00 0.00 C ATOM 856 SD MET A 52 -4.656 3.106 -10.404 1.00 0.00 S ATOM 857 CE MET A 52 -5.927 2.495 -9.297 1.00 0.00 C ATOM 0 H MET A 52 -4.921 6.169 -7.633 1.00 0.00 H new ATOM 0 HA MET A 52 -2.773 4.872 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.665 3.435 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.284 3.558 -7.569 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.832 5.247 -9.339 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.238 5.002 -10.025 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.798 2.189 -9.877 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.544 1.641 -8.739 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.213 3.284 -8.601 1.00 0.00 H new ATOM 867 N GLN A 53 -2.050 6.990 -8.636 1.00 0.00 N ATOM 868 CA GLN A 53 -0.944 7.781 -9.171 1.00 0.00 C ATOM 869 C GLN A 53 -0.393 8.719 -8.097 1.00 0.00 C ATOM 870 O GLN A 53 0.800 9.037 -8.080 1.00 0.00 O ATOM 871 CB GLN A 53 -1.373 8.549 -10.427 1.00 0.00 C ATOM 872 CG GLN A 53 -2.558 9.476 -10.223 1.00 0.00 C ATOM 873 CD GLN A 53 -3.184 9.923 -11.530 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.090 9.082 -12.548 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.756 11.009 -11.620 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.974 7.274 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.144 7.103 -9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.527 9.135 -10.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.619 7.832 -11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.311 8.969 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.236 10.352 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.806 11.628 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.180 11.290 -12.504 1.00 0.00 H new ATOM 884 N GLU A 54 -1.272 9.168 -7.207 1.00 0.00 N ATOM 885 CA GLU A 54 -0.856 9.924 -6.035 1.00 0.00 C ATOM 886 C GLU A 54 0.035 9.054 -5.158 1.00 0.00 C ATOM 887 O GLU A 54 1.128 9.462 -4.758 1.00 0.00 O ATOM 888 CB GLU A 54 -2.081 10.378 -5.239 1.00 0.00 C ATOM 889 CG GLU A 54 -1.743 11.167 -3.985 1.00 0.00 C ATOM 890 CD GLU A 54 -2.911 11.270 -3.024 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.802 12.114 -3.247 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.936 10.508 -2.031 1.00 0.00 O ATOM 0 H GLU A 54 -2.279 9.020 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.300 10.804 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.713 10.990 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.665 9.501 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.902 10.693 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.421 12.169 -4.267 1.00 0.00 H new ATOM 899 N LEU A 55 -0.447 7.842 -4.894 1.00 0.00 N ATOM 900 CA LEU A 55 0.245 6.870 -4.055 1.00 0.00 C ATOM 901 C LEU A 55 1.683 6.673 -4.521 1.00 0.00 C ATOM 902 O LEU A 55 2.626 6.781 -3.731 1.00 0.00 O ATOM 903 CB LEU A 55 -0.521 5.537 -4.100 1.00 0.00 C ATOM 904 CG LEU A 55 -0.356 4.602 -2.892 1.00 0.00 C ATOM 905 CD1 LEU A 55 1.060 4.058 -2.798 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.736 5.324 -1.611 1.00 0.00 C ATOM 0 H LEU A 55 -1.337 7.505 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 55 0.278 7.241 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.582 5.759 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.209 4.996 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.027 3.754 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.140 3.401 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.295 3.497 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.761 4.886 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.614 4.650 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.092 6.193 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.775 5.648 -1.670 1.00 0.00 H new ATOM 918 N SER A 56 1.839 6.406 -5.807 1.00 0.00 N ATOM 919 CA SER A 56 3.150 6.163 -6.387 1.00 0.00 C ATOM 920 C SER A 56 4.065 7.371 -6.213 1.00 0.00 C ATOM 921 O SER A 56 5.257 7.222 -5.945 1.00 0.00 O ATOM 922 CB SER A 56 3.016 5.796 -7.869 1.00 0.00 C ATOM 923 OG SER A 56 2.085 6.636 -8.526 1.00 0.00 O ATOM 0 H SER A 56 1.069 6.352 -6.473 1.00 0.00 H new ATOM 0 HA SER A 56 3.603 5.325 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.988 5.877 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.699 4.757 -7.961 1.00 0.00 H new ATOM 0 HG SER A 56 1.953 7.452 -8.000 1.00 0.00 H new ATOM 929 N ASN A 57 3.495 8.564 -6.338 1.00 0.00 N ATOM 930 CA ASN A 57 4.265 9.797 -6.216 1.00 0.00 C ATOM 931 C ASN A 57 4.794 9.987 -4.794 1.00 0.00 C ATOM 932 O ASN A 57 5.911 10.465 -4.600 1.00 0.00 O ATOM 933 CB ASN A 57 3.405 10.999 -6.629 1.00 0.00 C ATOM 934 CG ASN A 57 4.128 12.325 -6.457 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.881 12.754 -7.332 1.00 0.00 O ATOM 936 ND2 ASN A 57 3.881 12.999 -5.343 1.00 0.00 N ATOM 0 H ASN A 57 2.502 8.704 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 57 5.124 9.725 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.106 10.886 -7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.491 11.008 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.321 13.906 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.251 12.611 -4.641 1.00 0.00 H new ATOM 943 N ILE A 58 3.996 9.598 -3.804 1.00 0.00 N ATOM 944 CA ILE A 58 4.356 9.803 -2.405 1.00 0.00 C ATOM 945 C ILE A 58 5.466 8.852 -1.970 1.00 0.00 C ATOM 946 O ILE A 58 6.418 9.251 -1.295 1.00 0.00 O ATOM 947 CB ILE A 58 3.141 9.603 -1.473 1.00 0.00 C ATOM 948 CG1 ILE A 58 1.951 10.423 -1.974 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.497 9.990 -0.044 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.725 10.352 -1.080 1.00 0.00 C ATOM 0 H ILE A 58 3.096 9.139 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 58 4.708 10.832 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 58 2.863 8.549 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.257 11.465 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.680 10.077 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.630 9.843 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.319 9.367 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.797 11.037 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.072 10.961 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.390 9.318 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.976 10.727 -0.088 1.00 0.00 H new ATOM 962 N LEU A 59 5.346 7.591 -2.363 1.00 0.00 N ATOM 963 CA LEU A 59 6.262 6.563 -1.886 1.00 0.00 C ATOM 964 C LEU A 59 7.419 6.342 -2.850 1.00 0.00 C ATOM 965 O LEU A 59 8.210 5.415 -2.669 1.00 0.00 O ATOM 966 CB LEU A 59 5.513 5.247 -1.655 1.00 0.00 C ATOM 967 CG LEU A 59 4.385 5.322 -0.629 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.720 3.966 -0.470 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.909 5.823 0.709 1.00 0.00 C ATOM 0 H LEU A 59 4.629 7.257 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 59 6.679 6.912 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.099 4.910 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.228 4.490 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 59 3.639 6.030 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.918 4.038 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.307 3.649 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.457 3.237 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.090 5.869 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.676 5.142 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.337 6.817 0.583 1.00 0.00 H new ATOM 981 N ASN A 60 7.516 7.202 -3.862 1.00 0.00 N ATOM 982 CA ASN A 60 8.567 7.106 -4.878 1.00 0.00 C ATOM 983 C ASN A 60 8.524 5.732 -5.541 1.00 0.00 C ATOM 984 O ASN A 60 9.520 5.006 -5.602 1.00 0.00 O ATOM 985 CB ASN A 60 9.948 7.369 -4.258 1.00 0.00 C ATOM 986 CG ASN A 60 10.996 7.753 -5.289 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.157 8.927 -5.615 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.723 6.773 -5.801 1.00 0.00 N ATOM 0 H ASN A 60 6.873 7.981 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 60 8.391 7.867 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.863 8.166 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.278 6.476 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.446 6.981 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.561 5.810 -5.506 1.00 0.00 H new ATOM 995 N LEU A 61 7.343 5.381 -6.019 1.00 0.00 N ATOM 996 CA LEU A 61 7.117 4.103 -6.670 1.00 0.00 C ATOM 997 C LEU A 61 6.529 4.330 -8.046 1.00 0.00 C ATOM 998 O LEU A 61 6.226 5.460 -8.427 1.00 0.00 O ATOM 999 CB LEU A 61 6.173 3.231 -5.838 1.00 0.00 C ATOM 1000 CG LEU A 61 6.705 2.805 -4.468 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.650 2.007 -3.717 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.981 1.991 -4.622 1.00 0.00 C ATOM 0 H LEU A 61 6.514 5.974 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 61 8.072 3.585 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.239 3.774 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.935 2.335 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 61 6.937 3.701 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.042 1.711 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.760 2.621 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.391 1.117 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.346 1.696 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.775 1.100 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.738 2.593 -5.124 1.00 0.00 H new ATOM 1014 N SER A 62 6.362 3.257 -8.785 1.00 0.00 N ATOM 1015 CA SER A 62 5.827 3.341 -10.120 1.00 0.00 C ATOM 1016 C SER A 62 4.320 3.123 -10.098 1.00 0.00 C ATOM 1017 O SER A 62 3.804 2.365 -9.274 1.00 0.00 O ATOM 1018 CB SER A 62 6.520 2.309 -11.007 1.00 0.00 C ATOM 1019 OG SER A 62 6.037 2.354 -12.337 1.00 0.00 O ATOM 0 H SER A 62 6.591 2.311 -8.479 1.00 0.00 H new ATOM 0 HA SER A 62 6.013 4.334 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.595 2.489 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.363 1.312 -10.596 1.00 0.00 H new ATOM 0 HG SER A 62 6.547 1.727 -12.892 1.00 0.00 H new ATOM 1025 N TYR A 63 3.629 3.804 -10.999 1.00 0.00 N ATOM 1026 CA TYR A 63 2.183 3.703 -11.129 1.00 0.00 C ATOM 1027 C TYR A 63 1.765 2.255 -11.351 1.00 0.00 C ATOM 1028 O TYR A 63 0.777 1.791 -10.787 1.00 0.00 O ATOM 1029 CB TYR A 63 1.711 4.590 -12.291 1.00 0.00 C ATOM 1030 CG TYR A 63 0.242 4.453 -12.636 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.720 5.239 -12.009 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.182 3.538 -13.590 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.061 5.117 -12.329 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.518 3.410 -13.915 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.454 4.197 -13.280 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.785 4.068 -13.603 1.00 0.00 O ATOM 0 H TYR A 63 4.058 4.446 -11.665 1.00 0.00 H new ATOM 0 HA TYR A 63 1.716 4.048 -10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.916 5.631 -12.042 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.302 4.351 -13.175 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.415 5.956 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.546 2.915 -14.087 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.795 5.738 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.828 2.696 -14.664 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.328 4.148 -12.791 1.00 0.00 H new ATOM 1046 N LYS A 64 2.538 1.540 -12.155 1.00 0.00 N ATOM 1047 CA LYS A 64 2.251 0.152 -12.453 1.00 0.00 C ATOM 1048 C LYS A 64 2.405 -0.698 -11.205 1.00 0.00 C ATOM 1049 O LYS A 64 1.639 -1.627 -10.978 1.00 0.00 O ATOM 1050 CB LYS A 64 3.161 -0.342 -13.584 1.00 0.00 C ATOM 1051 CG LYS A 64 4.656 -0.349 -13.270 1.00 0.00 C ATOM 1052 CD LYS A 64 5.117 -1.683 -12.695 1.00 0.00 C ATOM 1053 CE LYS A 64 5.005 -2.807 -13.713 1.00 0.00 C ATOM 1054 NZ LYS A 64 5.939 -2.625 -14.853 1.00 0.00 N ATOM 0 H LYS A 64 3.373 1.905 -12.613 1.00 0.00 H new ATOM 0 HA LYS A 64 1.218 0.064 -12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.859 -1.354 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.995 0.284 -14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.218 -0.134 -14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.880 0.448 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.151 -1.597 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.518 -1.927 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.211 -3.759 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.982 -2.856 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.979 -3.501 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.605 -1.845 -15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.888 -2.402 -14.492 1.00 0.00 H new ATOM 1068 N GLN A 65 3.391 -0.349 -10.392 1.00 0.00 N ATOM 1069 CA GLN A 65 3.637 -1.046 -9.140 1.00 0.00 C ATOM 1070 C GLN A 65 2.468 -0.842 -8.187 1.00 0.00 C ATOM 1071 O GLN A 65 2.000 -1.787 -7.553 1.00 0.00 O ATOM 1072 CB GLN A 65 4.929 -0.550 -8.488 1.00 0.00 C ATOM 1073 CG GLN A 65 6.180 -0.880 -9.285 1.00 0.00 C ATOM 1074 CD GLN A 65 7.441 -0.316 -8.661 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.415 0.728 -8.005 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.555 -1.000 -8.864 1.00 0.00 N ATOM 0 H GLN A 65 4.037 0.418 -10.579 1.00 0.00 H new ATOM 0 HA GLN A 65 3.742 -2.109 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.867 0.530 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.016 -0.989 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.275 -1.962 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.074 -0.488 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.533 -1.859 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.436 -0.668 -8.472 1.00 0.00 H new ATOM 1085 N VAL A 66 1.984 0.391 -8.116 1.00 0.00 N ATOM 1086 CA VAL A 66 0.880 0.716 -7.220 1.00 0.00 C ATOM 1087 C VAL A 66 -0.424 0.105 -7.727 1.00 0.00 C ATOM 1088 O VAL A 66 -1.208 -0.451 -6.953 1.00 0.00 O ATOM 1089 CB VAL A 66 0.714 2.239 -7.056 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.483 2.562 -6.173 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.981 2.840 -6.472 1.00 0.00 C ATOM 0 H VAL A 66 2.334 1.177 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 66 1.118 0.292 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 66 0.536 2.675 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.580 3.643 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.388 2.157 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.339 2.117 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.855 3.917 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.179 2.394 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.819 2.641 -7.140 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.632 0.190 -9.034 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.835 -0.343 -9.662 1.00 0.00 C ATOM 1103 C LYS A 67 -1.902 -1.859 -9.485 1.00 0.00 C ATOM 1104 O LYS A 67 -2.971 -2.427 -9.260 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.839 0.012 -11.151 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.207 -0.061 -11.809 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.104 0.222 -13.299 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.469 0.447 -13.932 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.109 1.701 -13.444 1.00 0.00 N ATOM 0 H LYS A 67 0.021 0.626 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.709 0.100 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.444 1.020 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.161 -0.662 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.640 -1.049 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.879 0.660 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.481 1.102 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.608 -0.614 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.363 0.492 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.116 -0.401 -13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.022 1.835 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.264 1.635 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.488 2.510 -13.649 1.00 0.00 H new ATOM 1123 N THR A 68 -0.742 -2.500 -9.572 1.00 0.00 N ATOM 1124 CA THR A 68 -0.641 -3.942 -9.404 1.00 0.00 C ATOM 1125 C THR A 68 -0.979 -4.344 -7.971 1.00 0.00 C ATOM 1126 O THR A 68 -1.708 -5.311 -7.744 1.00 0.00 O ATOM 1127 CB THR A 68 0.771 -4.448 -9.766 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.059 -4.156 -11.140 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.904 -5.948 -9.527 1.00 0.00 C ATOM 0 H THR A 68 0.148 -2.038 -9.760 1.00 0.00 H new ATOM 0 HA THR A 68 -1.360 -4.402 -10.082 1.00 0.00 H new ATOM 0 HB THR A 68 1.484 -3.934 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.922 -3.200 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.911 -6.271 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.718 -6.167 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.178 -6.480 -10.142 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.463 -3.584 -7.005 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.722 -3.859 -5.599 1.00 0.00 C ATOM 1139 C TRP A 69 -2.210 -3.690 -5.307 1.00 0.00 C ATOM 1140 O TRP A 69 -2.816 -4.518 -4.628 1.00 0.00 O ATOM 1141 CB TRP A 69 0.103 -2.930 -4.700 1.00 0.00 C ATOM 1142 CG TRP A 69 0.154 -3.373 -3.268 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.107 -4.163 -2.690 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.785 -3.054 -2.231 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.817 -4.353 -1.360 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.337 -3.684 -1.055 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.959 -2.295 -2.182 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -1.022 -3.584 0.152 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.637 -2.197 -0.983 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -2.167 -2.836 0.171 1.00 0.00 C ATOM 0 H TRP A 69 0.135 -2.775 -7.174 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.428 -4.887 -5.385 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.119 -2.869 -5.089 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.317 -1.925 -4.746 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.962 -4.577 -3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.373 -4.904 -0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -2.328 -1.795 -3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.663 -4.079 1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.547 -1.617 -0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -2.719 -2.736 1.094 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.786 -2.617 -5.839 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.215 -2.355 -5.704 1.00 0.00 C ATOM 1163 C PHE A 70 -5.040 -3.530 -6.228 1.00 0.00 C ATOM 1164 O PHE A 70 -5.946 -4.015 -5.547 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.586 -1.071 -6.458 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.064 -0.897 -6.674 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.894 -0.510 -5.635 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.622 -1.131 -7.921 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.252 -0.361 -5.836 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.978 -0.982 -8.128 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.795 -0.599 -7.085 1.00 0.00 C ATOM 0 H PHE A 70 -2.280 -1.909 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.441 -2.227 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.206 -0.213 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.085 -1.072 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.475 -0.323 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.987 -1.434 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.889 -0.059 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.399 -1.165 -9.106 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.857 -0.485 -7.244 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.718 -3.984 -7.434 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.448 -5.081 -8.059 1.00 0.00 C ATOM 1183 C GLN A 71 -5.299 -6.363 -7.240 1.00 0.00 C ATOM 1184 O GLN A 71 -6.258 -7.117 -7.066 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.947 -5.301 -9.493 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.728 -6.354 -10.266 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.200 -6.009 -10.407 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.008 -6.430 -9.444 1.00 0.00 O flip ATOM 1189 NE2 GLN A 71 -7.611 -5.366 -11.369 1.00 0.00 N flip ATOM 0 H GLN A 71 -3.956 -3.609 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.505 -4.818 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.998 -4.356 -10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.897 -5.593 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.290 -6.470 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.631 -7.315 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.961 -5.058 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.603 -5.140 -11.445 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.099 -6.585 -6.728 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.791 -7.763 -5.925 1.00 0.00 C ATOM 1200 C ASN A 72 -4.547 -7.726 -4.604 1.00 0.00 C ATOM 1201 O ASN A 72 -5.160 -8.714 -4.202 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.279 -7.845 -5.671 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.900 -8.921 -4.668 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.706 -10.080 -5.025 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.766 -8.536 -3.406 1.00 0.00 N ATOM 0 H ASN A 72 -3.308 -5.954 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.107 -8.650 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.768 -8.040 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.924 -6.879 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.493 -9.212 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.936 -7.564 -3.149 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.505 -6.575 -3.944 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.188 -6.383 -2.673 1.00 0.00 C ATOM 1214 C GLN A 73 -6.690 -6.572 -2.849 1.00 0.00 C ATOM 1215 O GLN A 73 -7.350 -7.206 -2.023 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.868 -4.987 -2.119 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.564 -4.649 -0.806 1.00 0.00 C ATOM 1218 CD GLN A 73 -6.714 -3.670 -0.978 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -7.374 -3.640 -2.013 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.951 -2.854 0.036 1.00 0.00 N ATOM 0 H GLN A 73 -3.999 -5.753 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.837 -7.127 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.791 -4.906 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.147 -4.242 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.940 -5.567 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.836 -4.227 -0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.380 -2.910 0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.704 -2.169 -0.026 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.220 -6.039 -3.943 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.637 -6.168 -4.242 1.00 0.00 C ATOM 1231 C ARG A 74 -8.993 -7.618 -4.569 1.00 0.00 C ATOM 1232 O ARG A 74 -10.062 -8.102 -4.197 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.021 -5.256 -5.408 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.520 -5.162 -5.630 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.859 -4.249 -6.794 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.303 -4.073 -6.943 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.941 -4.073 -8.114 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.267 -4.261 -9.242 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.253 -3.887 -8.153 1.00 0.00 N ATOM 0 H ARG A 74 -6.688 -5.514 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.199 -5.866 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.625 -4.257 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.548 -5.624 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.923 -6.157 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.999 -4.790 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.388 -3.278 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.447 -4.664 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.858 -3.942 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.258 -4.406 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.758 -4.260 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.774 -3.744 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.742 -3.887 -9.048 1.00 0.00 H new ATOM 1253 N MET A 75 -8.093 -8.315 -5.260 1.00 0.00 N ATOM 1254 CA MET A 75 -8.332 -9.716 -5.606 1.00 0.00 C ATOM 1255 C MET A 75 -8.252 -10.609 -4.372 1.00 0.00 C ATOM 1256 O MET A 75 -9.049 -11.536 -4.212 1.00 0.00 O ATOM 1257 CB MET A 75 -7.349 -10.199 -6.675 1.00 0.00 C ATOM 1258 CG MET A 75 -7.710 -9.736 -8.079 1.00 0.00 C ATOM 1259 SD MET A 75 -6.614 -10.405 -9.347 1.00 0.00 S ATOM 1260 CE MET A 75 -5.060 -9.623 -8.924 1.00 0.00 C ATOM 0 H MET A 75 -7.203 -7.940 -5.588 1.00 0.00 H new ATOM 0 HA MET A 75 -9.341 -9.783 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.350 -9.841 -6.428 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.311 -11.288 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.736 -10.032 -8.300 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.677 -8.647 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.576 -9.261 -9.831 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.245 -8.785 -8.252 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.411 -10.347 -8.431 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.298 -10.319 -3.493 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.128 -11.085 -2.260 1.00 0.00 C ATOM 1272 C LYS A 76 -8.294 -10.873 -1.300 1.00 0.00 C ATOM 1273 O LYS A 76 -8.591 -11.742 -0.478 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.808 -10.721 -1.570 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.637 -11.621 -1.948 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.600 -12.890 -1.097 1.00 0.00 C ATOM 1277 CE LYS A 76 -5.758 -13.829 -1.405 1.00 0.00 C ATOM 1278 NZ LYS A 76 -5.883 -14.915 -0.397 1.00 0.00 N ATOM 0 H LYS A 76 -6.629 -9.558 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.105 -12.139 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.554 -9.690 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.951 -10.764 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.711 -11.892 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.703 -11.073 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.658 -13.411 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.627 -12.618 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.686 -13.259 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.616 -14.267 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.684 -15.530 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.008 -15.476 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.045 -14.500 0.543 1.00 0.00 H new