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 72 ASN : amide:sc= 0.267 K(o=0.96,f=-12!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -173:sc= 0.692 (180deg=-0.241) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.815 K(o=0.68,f=-5.8!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.136 K(o=0.68,f=0.041) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 35 CYS SG : rot 72:sc= 0.683 USER MOD Single : A 38 ASN :FLIP amide:sc=-0.00188 F(o=-1.2,f=-0.0019) USER MOD Single : A 42 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 166:sc= 0.166 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 165:sc= -0.428 (180deg=-0.98) USER MOD Single : A 53 GLN : amide:sc= -2.35! C(o=-2.4!,f=-2.7!) USER MOD Single : A 56 SER OG : rot -84:sc= 0.125 USER MOD Single : A 57 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1) USER MOD Single : A 60 ASN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0591) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.46 F(o=-2.6!,f=-1.5) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 71 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 73 GLN : amide:sc= 0.00482 X(o=0.0048,f=0) USER MOD Single : A 75 MET CE :methyl 165:sc= -0.102 (180deg=-0.466) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.094 -0.419 3.670 1.00 0.00 N ATOM 479 CA SER A 30 8.601 0.384 4.766 1.00 0.00 C ATOM 480 C SER A 30 7.430 0.849 5.623 1.00 0.00 C ATOM 481 O SER A 30 6.316 1.002 5.114 1.00 0.00 O ATOM 482 CB SER A 30 9.389 1.582 4.218 1.00 0.00 C ATOM 483 OG SER A 30 10.006 2.325 5.258 1.00 0.00 O ATOM 0 HA SER A 30 9.277 -0.210 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.150 1.229 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.719 2.232 3.655 1.00 0.00 H new ATOM 0 HG SER A 30 10.500 3.079 4.873 1.00 0.00 H new ATOM 489 N SER A 31 7.680 1.086 6.904 1.00 0.00 N ATOM 490 CA SER A 31 6.631 1.504 7.820 1.00 0.00 C ATOM 491 C SER A 31 6.011 2.814 7.354 1.00 0.00 C ATOM 492 O SER A 31 4.799 2.991 7.422 1.00 0.00 O ATOM 493 CB SER A 31 7.193 1.649 9.234 1.00 0.00 C ATOM 494 OG SER A 31 7.764 0.427 9.675 1.00 0.00 O ATOM 0 H SER A 31 8.602 0.995 7.331 1.00 0.00 H new ATOM 0 HA SER A 31 5.852 0.741 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.947 2.436 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.399 1.953 9.917 1.00 0.00 H new ATOM 0 HG SER A 31 8.120 0.540 10.581 1.00 0.00 H new ATOM 500 N THR A 32 6.848 3.710 6.848 1.00 0.00 N ATOM 501 CA THR A 32 6.387 4.995 6.348 1.00 0.00 C ATOM 502 C THR A 32 5.354 4.809 5.233 1.00 0.00 C ATOM 503 O THR A 32 4.307 5.456 5.230 1.00 0.00 O ATOM 504 CB THR A 32 7.577 5.820 5.827 1.00 0.00 C ATOM 505 OG1 THR A 32 8.675 5.703 6.747 1.00 0.00 O ATOM 506 CG2 THR A 32 7.199 7.287 5.666 1.00 0.00 C ATOM 0 H THR A 32 7.855 3.568 6.774 1.00 0.00 H new ATOM 0 HA THR A 32 5.913 5.530 7.171 1.00 0.00 H new ATOM 0 HB THR A 32 7.865 5.433 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.435 6.226 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.059 7.846 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.377 7.375 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.891 7.691 6.630 1.00 0.00 H new ATOM 514 N GLN A 33 5.639 3.898 4.306 1.00 0.00 N ATOM 515 CA GLN A 33 4.717 3.606 3.218 1.00 0.00 C ATOM 516 C GLN A 33 3.465 2.924 3.759 1.00 0.00 C ATOM 517 O GLN A 33 2.345 3.289 3.404 1.00 0.00 O ATOM 518 CB GLN A 33 5.382 2.707 2.173 1.00 0.00 C ATOM 519 CG GLN A 33 6.649 3.295 1.568 1.00 0.00 C ATOM 520 CD GLN A 33 7.268 2.388 0.522 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.434 1.670 -0.212 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 8.483 2.346 0.363 1.00 0.00 N flip ATOM 0 H GLN A 33 6.500 3.352 4.289 1.00 0.00 H new ATOM 0 HA GLN A 33 4.438 4.547 2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.622 1.748 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.669 2.507 1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.418 4.260 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.375 3.479 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.094 2.915 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.883 1.742 -0.355 1.00 0.00 H new ATOM 531 N LEU A 34 3.676 1.939 4.627 1.00 0.00 N ATOM 532 CA LEU A 34 2.584 1.177 5.228 1.00 0.00 C ATOM 533 C LEU A 34 1.596 2.085 5.962 1.00 0.00 C ATOM 534 O LEU A 34 0.384 1.954 5.790 1.00 0.00 O ATOM 535 CB LEU A 34 3.144 0.117 6.184 1.00 0.00 C ATOM 536 CG LEU A 34 3.962 -0.988 5.514 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.636 -1.857 6.563 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.071 -1.829 4.609 1.00 0.00 C ATOM 0 H LEU A 34 4.604 1.647 4.933 1.00 0.00 H new ATOM 0 HA LEU A 34 2.041 0.683 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.770 0.613 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.314 -0.341 6.722 1.00 0.00 H new ATOM 0 HG LEU A 34 4.737 -0.528 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.214 -2.639 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.300 -1.243 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.878 -2.313 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.666 -2.612 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.277 -2.283 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.632 -1.194 3.839 1.00 0.00 H new ATOM 550 N CYS A 35 2.116 3.014 6.762 1.00 0.00 N ATOM 551 CA CYS A 35 1.269 3.935 7.515 1.00 0.00 C ATOM 552 C CYS A 35 0.422 4.791 6.575 1.00 0.00 C ATOM 553 O CYS A 35 -0.786 4.917 6.766 1.00 0.00 O ATOM 554 CB CYS A 35 2.112 4.831 8.426 1.00 0.00 C ATOM 555 SG CYS A 35 3.031 3.933 9.698 1.00 0.00 S ATOM 0 H CYS A 35 3.117 3.148 6.905 1.00 0.00 H new ATOM 0 HA CYS A 35 0.601 3.338 8.136 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.816 5.394 7.813 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.458 5.557 8.909 1.00 0.00 H new ATOM 0 HG CYS A 35 4.015 3.287 9.147 1.00 0.00 H new ATOM 561 N VAL A 36 1.053 5.350 5.547 1.00 0.00 N ATOM 562 CA VAL A 36 0.355 6.216 4.602 1.00 0.00 C ATOM 563 C VAL A 36 -0.713 5.438 3.838 1.00 0.00 C ATOM 564 O VAL A 36 -1.817 5.938 3.611 1.00 0.00 O ATOM 565 CB VAL A 36 1.330 6.873 3.600 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.583 7.741 2.598 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.372 7.701 4.335 1.00 0.00 C ATOM 0 H VAL A 36 2.045 5.219 5.347 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.121 7.004 5.185 1.00 0.00 H new ATOM 0 HB VAL A 36 1.834 6.076 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.294 8.191 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.126 7.127 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.045 8.527 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.050 8.156 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.876 8.483 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.938 7.058 5.009 1.00 0.00 H new ATOM 577 N LEU A 37 -0.385 4.209 3.457 1.00 0.00 N ATOM 578 CA LEU A 37 -1.327 3.350 2.752 1.00 0.00 C ATOM 579 C LEU A 37 -2.526 3.026 3.631 1.00 0.00 C ATOM 580 O LEU A 37 -3.673 3.134 3.196 1.00 0.00 O ATOM 581 CB LEU A 37 -0.644 2.055 2.304 1.00 0.00 C ATOM 582 CG LEU A 37 0.419 2.225 1.218 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.118 0.907 0.944 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.206 2.758 -0.057 1.00 0.00 C ATOM 0 H LEU A 37 0.527 3.785 3.625 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.676 3.888 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.182 1.587 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.407 1.367 1.939 1.00 0.00 H new ATOM 0 HG LEU A 37 1.158 2.943 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.871 1.049 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.599 0.554 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.387 0.170 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.564 2.873 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.964 2.059 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.668 3.725 0.141 1.00 0.00 H new ATOM 596 N ASN A 38 -2.261 2.656 4.878 1.00 0.00 N ATOM 597 CA ASN A 38 -3.329 2.274 5.797 1.00 0.00 C ATOM 598 C ASN A 38 -4.178 3.483 6.160 1.00 0.00 C ATOM 599 O ASN A 38 -5.395 3.377 6.294 1.00 0.00 O ATOM 600 CB ASN A 38 -2.760 1.628 7.063 1.00 0.00 C ATOM 601 CG ASN A 38 -3.839 1.011 7.946 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.890 0.476 7.333 1.00 0.00 O flip ATOM 603 ND2 ASN A 38 -3.722 0.998 9.171 1.00 0.00 N flip ATOM 0 H ASN A 38 -1.323 2.612 5.275 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.959 1.541 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.042 0.857 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.214 2.378 7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.902 1.418 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.445 0.567 9.748 1.00 0.00 H new ATOM 610 N ASP A 39 -3.530 4.634 6.300 1.00 0.00 N ATOM 611 CA ASP A 39 -4.233 5.874 6.598 1.00 0.00 C ATOM 612 C ASP A 39 -5.145 6.253 5.438 1.00 0.00 C ATOM 613 O ASP A 39 -6.299 6.610 5.641 1.00 0.00 O ATOM 614 CB ASP A 39 -3.242 7.010 6.876 1.00 0.00 C ATOM 615 CG ASP A 39 -3.910 8.239 7.468 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.635 8.940 6.738 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.700 8.517 8.673 1.00 0.00 O ATOM 0 H ASP A 39 -2.519 4.733 6.212 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.837 5.716 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.472 6.655 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.741 7.285 5.948 1.00 0.00 H new ATOM 622 N ARG A 40 -4.627 6.147 4.216 1.00 0.00 N ATOM 623 CA ARG A 40 -5.397 6.472 3.021 1.00 0.00 C ATOM 624 C ARG A 40 -6.659 5.609 2.938 1.00 0.00 C ATOM 625 O ARG A 40 -7.754 6.124 2.712 1.00 0.00 O ATOM 626 CB ARG A 40 -4.535 6.271 1.773 1.00 0.00 C ATOM 627 CG ARG A 40 -4.780 7.301 0.680 1.00 0.00 C ATOM 628 CD ARG A 40 -4.402 8.702 1.145 1.00 0.00 C ATOM 629 NE ARG A 40 -4.521 9.698 0.074 1.00 0.00 N ATOM 630 CZ ARG A 40 -5.129 10.878 0.201 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.702 11.221 1.352 1.00 0.00 N ATOM 632 NH2 ARG A 40 -5.148 11.717 -0.828 1.00 0.00 N ATOM 0 H ARG A 40 -3.673 5.837 4.029 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.701 7.517 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.484 6.304 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.724 5.276 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.200 7.040 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.830 7.283 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.043 8.990 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.378 8.694 1.518 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.110 9.472 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.678 10.580 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.165 12.125 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.700 11.457 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.611 12.622 -0.740 1.00 0.00 H new ATOM 646 N PHE A 41 -6.499 4.299 3.141 1.00 0.00 N ATOM 647 CA PHE A 41 -7.634 3.373 3.157 1.00 0.00 C ATOM 648 C PHE A 41 -8.538 3.619 4.367 1.00 0.00 C ATOM 649 O PHE A 41 -9.717 3.259 4.365 1.00 0.00 O ATOM 650 CB PHE A 41 -7.146 1.926 3.159 1.00 0.00 C ATOM 651 CG PHE A 41 -6.653 1.495 1.815 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.483 1.591 0.717 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.363 1.021 1.642 1.00 0.00 C ATOM 654 CE1 PHE A 41 -7.044 1.228 -0.528 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.916 0.648 0.390 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.759 0.752 -0.699 1.00 0.00 C ATOM 0 H PHE A 41 -5.594 3.855 3.297 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.217 3.552 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.346 1.815 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.958 1.271 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.491 1.957 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.702 0.943 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.704 1.314 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.910 0.276 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.415 0.462 -1.681 1.00 0.00 H new ATOM 666 N GLN A 42 -7.970 4.226 5.401 1.00 0.00 N ATOM 667 CA GLN A 42 -8.714 4.564 6.612 1.00 0.00 C ATOM 668 C GLN A 42 -9.625 5.763 6.348 1.00 0.00 C ATOM 669 O GLN A 42 -10.627 5.968 7.036 1.00 0.00 O ATOM 670 CB GLN A 42 -7.737 4.884 7.751 1.00 0.00 C ATOM 671 CG GLN A 42 -8.360 4.867 9.138 1.00 0.00 C ATOM 672 CD GLN A 42 -8.730 3.468 9.593 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.848 3.006 9.380 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.786 2.786 10.227 1.00 0.00 N ATOM 0 H GLN A 42 -6.987 4.497 5.426 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.329 3.712 6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.919 4.164 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.301 5.867 7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.662 5.305 9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.252 5.494 9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.870 3.207 10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.976 1.840 10.558 1.00 0.00 H new ATOM 683 N ARG A 43 -9.263 6.559 5.348 1.00 0.00 N ATOM 684 CA ARG A 43 -10.058 7.719 4.966 1.00 0.00 C ATOM 685 C ARG A 43 -11.071 7.330 3.897 1.00 0.00 C ATOM 686 O ARG A 43 -12.237 7.728 3.953 1.00 0.00 O ATOM 687 CB ARG A 43 -9.150 8.841 4.450 1.00 0.00 C ATOM 688 CG ARG A 43 -7.920 9.063 5.314 1.00 0.00 C ATOM 689 CD ARG A 43 -8.287 9.357 6.756 1.00 0.00 C ATOM 690 NE ARG A 43 -7.145 9.198 7.653 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.247 9.090 8.977 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.439 9.113 9.563 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.159 8.928 9.716 1.00 0.00 N ATOM 0 H ARG A 43 -8.423 6.421 4.787 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.593 8.080 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.834 8.605 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.722 9.768 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.284 8.179 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.338 9.892 4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.670 10.375 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.090 8.690 7.069 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.213 9.168 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.283 9.214 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.510 9.030 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.242 8.886 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.239 8.845 10.730 1.00 0.00 H new ATOM 707 N GLN A 44 -10.616 6.550 2.927 1.00 0.00 N ATOM 708 CA GLN A 44 -11.483 6.030 1.878 1.00 0.00 C ATOM 709 C GLN A 44 -11.162 4.559 1.652 1.00 0.00 C ATOM 710 O GLN A 44 -9.994 4.186 1.590 1.00 0.00 O ATOM 711 CB GLN A 44 -11.301 6.815 0.579 1.00 0.00 C ATOM 712 CG GLN A 44 -12.279 6.402 -0.511 1.00 0.00 C ATOM 713 CD GLN A 44 -12.099 7.180 -1.799 1.00 0.00 C ATOM 714 OE1 GLN A 44 -10.993 7.603 -2.133 1.00 0.00 O ATOM 715 NE2 GLN A 44 -13.190 7.382 -2.526 1.00 0.00 N ATOM 0 H GLN A 44 -9.641 6.261 2.844 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.522 6.137 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.423 7.879 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.282 6.675 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.157 5.338 -0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.297 6.542 -0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.088 7.013 -2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.131 7.906 -3.399 1.00 0.00 H new ATOM 724 N LYS A 45 -12.195 3.740 1.514 1.00 0.00 N ATOM 725 CA LYS A 45 -12.024 2.288 1.477 1.00 0.00 C ATOM 726 C LYS A 45 -11.187 1.826 0.284 1.00 0.00 C ATOM 727 O LYS A 45 -10.543 0.780 0.344 1.00 0.00 O ATOM 728 CB LYS A 45 -13.387 1.586 1.470 1.00 0.00 C ATOM 729 CG LYS A 45 -14.281 1.988 0.310 1.00 0.00 C ATOM 730 CD LYS A 45 -15.621 1.280 0.380 1.00 0.00 C ATOM 731 CE LYS A 45 -16.552 1.735 -0.731 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.887 1.082 -0.641 1.00 0.00 N ATOM 0 H LYS A 45 -13.162 4.053 1.426 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.479 2.011 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.229 0.508 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.902 1.805 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.436 3.067 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.789 1.748 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.468 0.203 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.085 1.473 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.673 2.817 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.102 1.508 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.492 1.420 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.775 0.051 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.329 1.319 0.270 1.00 0.00 H new ATOM 746 N TYR A 46 -11.194 2.597 -0.794 1.00 0.00 N ATOM 747 CA TYR A 46 -10.425 2.246 -1.979 1.00 0.00 C ATOM 748 C TYR A 46 -9.683 3.450 -2.528 1.00 0.00 C ATOM 749 O TYR A 46 -9.985 4.590 -2.186 1.00 0.00 O ATOM 750 CB TYR A 46 -11.331 1.683 -3.073 1.00 0.00 C ATOM 751 CG TYR A 46 -11.941 0.338 -2.752 1.00 0.00 C ATOM 752 CD1 TYR A 46 -11.165 -0.702 -2.255 1.00 0.00 C ATOM 753 CD2 TYR A 46 -13.293 0.106 -2.964 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.722 -1.939 -1.978 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.857 -1.126 -2.697 1.00 0.00 C ATOM 756 CZ TYR A 46 -13.070 -2.145 -2.204 1.00 0.00 C ATOM 757 OH TYR A 46 -13.634 -3.378 -1.947 1.00 0.00 O ATOM 0 H TYR A 46 -11.722 3.466 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.704 1.486 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.134 2.395 -3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.755 1.596 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.111 -0.543 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.915 0.903 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.108 -2.737 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.910 -1.290 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.610 -3.295 -1.934 1.00 0.00 H new ATOM 767 N LEU A 47 -8.711 3.185 -3.387 1.00 0.00 N ATOM 768 CA LEU A 47 -7.996 4.237 -4.082 1.00 0.00 C ATOM 769 C LEU A 47 -8.531 4.372 -5.495 1.00 0.00 C ATOM 770 O LEU A 47 -8.802 3.372 -6.160 1.00 0.00 O ATOM 771 CB LEU A 47 -6.497 3.935 -4.121 1.00 0.00 C ATOM 772 CG LEU A 47 -5.799 3.933 -2.762 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.347 3.505 -2.909 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.885 5.307 -2.116 1.00 0.00 C ATOM 0 H LEU A 47 -8.400 2.242 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.147 5.174 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.351 2.961 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.011 4.672 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.306 3.216 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.866 3.509 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.305 2.500 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.829 4.198 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.383 5.286 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.403 6.043 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.931 5.578 -1.975 1.00 0.00 H new ATOM 786 N SER A 48 -8.700 5.601 -5.943 1.00 0.00 N ATOM 787 CA SER A 48 -9.168 5.852 -7.291 1.00 0.00 C ATOM 788 C SER A 48 -8.004 5.806 -8.269 1.00 0.00 C ATOM 789 O SER A 48 -6.861 5.536 -7.886 1.00 0.00 O ATOM 790 CB SER A 48 -9.874 7.208 -7.368 1.00 0.00 C ATOM 791 OG SER A 48 -8.998 8.263 -7.013 1.00 0.00 O ATOM 0 H SER A 48 -8.520 6.441 -5.393 1.00 0.00 H new ATOM 0 HA SER A 48 -9.883 5.074 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.250 7.368 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.738 7.210 -6.703 1.00 0.00 H new ATOM 0 HG SER A 48 -9.474 9.118 -7.072 1.00 0.00 H new ATOM 797 N LEU A 49 -8.297 6.096 -9.521 1.00 0.00 N ATOM 798 CA LEU A 49 -7.293 6.070 -10.573 1.00 0.00 C ATOM 799 C LEU A 49 -6.247 7.140 -10.304 1.00 0.00 C ATOM 800 O LEU A 49 -5.050 6.927 -10.483 1.00 0.00 O ATOM 801 CB LEU A 49 -7.951 6.302 -11.936 1.00 0.00 C ATOM 802 CG LEU A 49 -7.005 6.250 -13.139 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.416 4.856 -13.294 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.737 6.668 -14.408 1.00 0.00 C ATOM 0 H LEU A 49 -9.231 6.355 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.810 5.093 -10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.731 5.554 -12.076 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.442 7.275 -11.923 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.187 6.950 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.746 4.838 -14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.859 4.594 -12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.220 4.136 -13.445 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.051 6.626 -15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.574 5.992 -14.585 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.111 7.686 -14.294 1.00 0.00 H new ATOM 816 N GLN A 50 -6.713 8.286 -9.847 1.00 0.00 N ATOM 817 CA GLN A 50 -5.825 9.393 -9.548 1.00 0.00 C ATOM 818 C GLN A 50 -5.094 9.166 -8.225 1.00 0.00 C ATOM 819 O GLN A 50 -3.982 9.641 -8.033 1.00 0.00 O ATOM 820 CB GLN A 50 -6.611 10.701 -9.523 1.00 0.00 C ATOM 821 CG GLN A 50 -5.738 11.939 -9.408 1.00 0.00 C ATOM 822 CD GLN A 50 -6.471 13.195 -9.827 1.00 0.00 C ATOM 823 OE1 GLN A 50 -6.431 13.585 -10.998 1.00 0.00 O ATOM 824 NE2 GLN A 50 -7.155 13.825 -8.889 1.00 0.00 N ATOM 0 H GLN A 50 -7.700 8.475 -9.675 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.071 9.457 -10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.209 10.772 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.307 10.680 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.396 12.046 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.850 11.814 -10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.160 13.467 -7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.678 14.670 -9.120 1.00 0.00 H new ATOM 833 N GLN A 51 -5.720 8.443 -7.312 1.00 0.00 N ATOM 834 CA GLN A 51 -5.122 8.174 -6.013 1.00 0.00 C ATOM 835 C GLN A 51 -4.039 7.090 -6.083 1.00 0.00 C ATOM 836 O GLN A 51 -3.090 7.110 -5.303 1.00 0.00 O ATOM 837 CB GLN A 51 -6.217 7.832 -5.006 1.00 0.00 C ATOM 838 CG GLN A 51 -7.081 9.044 -4.668 1.00 0.00 C ATOM 839 CD GLN A 51 -8.380 8.698 -3.966 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.388 9.383 -4.148 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.368 7.652 -3.156 1.00 0.00 N ATOM 0 H GLN A 51 -6.643 8.031 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.611 9.076 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.847 7.039 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.763 7.445 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.507 9.721 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.309 9.583 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.512 7.112 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.215 7.386 -2.654 1.00 0.00 H new ATOM 850 N MET A 52 -4.165 6.146 -7.011 1.00 0.00 N ATOM 851 CA MET A 52 -3.132 5.122 -7.181 1.00 0.00 C ATOM 852 C MET A 52 -1.869 5.727 -7.805 1.00 0.00 C ATOM 853 O MET A 52 -0.750 5.351 -7.450 1.00 0.00 O ATOM 854 CB MET A 52 -3.647 3.937 -8.008 1.00 0.00 C ATOM 855 CG MET A 52 -4.091 4.286 -9.416 1.00 0.00 C ATOM 856 SD MET A 52 -4.769 2.865 -10.295 1.00 0.00 S ATOM 857 CE MET A 52 -6.186 2.463 -9.270 1.00 0.00 C ATOM 0 H MET A 52 -4.957 6.066 -7.649 1.00 0.00 H new ATOM 0 HA MET A 52 -2.873 4.740 -6.194 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.861 3.185 -8.067 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.485 3.482 -7.481 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.842 5.075 -9.372 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.243 4.684 -9.973 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.850 1.791 -9.814 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.847 1.977 -8.355 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.723 3.377 -9.017 1.00 0.00 H new ATOM 867 N GLN A 53 -2.044 6.670 -8.726 1.00 0.00 N ATOM 868 CA GLN A 53 -0.907 7.399 -9.281 1.00 0.00 C ATOM 869 C GLN A 53 -0.374 8.394 -8.247 1.00 0.00 C ATOM 870 O GLN A 53 0.822 8.681 -8.199 1.00 0.00 O ATOM 871 CB GLN A 53 -1.284 8.095 -10.597 1.00 0.00 C ATOM 872 CG GLN A 53 -2.481 9.017 -10.489 1.00 0.00 C ATOM 873 CD GLN A 53 -2.995 9.500 -11.834 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.553 10.593 -11.939 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.809 8.697 -12.873 1.00 0.00 N ATOM 0 H GLN A 53 -2.952 6.946 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.113 6.690 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.427 8.669 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.491 7.335 -11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.284 8.497 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.211 9.880 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.342 7.799 -12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.133 8.978 -13.799 1.00 0.00 H new ATOM 884 N GLU A 54 -1.279 8.906 -7.419 1.00 0.00 N ATOM 885 CA GLU A 54 -0.914 9.767 -6.301 1.00 0.00 C ATOM 886 C GLU A 54 0.037 9.041 -5.351 1.00 0.00 C ATOM 887 O GLU A 54 1.148 9.505 -5.099 1.00 0.00 O ATOM 888 CB GLU A 54 -2.183 10.187 -5.549 1.00 0.00 C ATOM 889 CG GLU A 54 -1.936 10.938 -4.250 1.00 0.00 C ATOM 890 CD GLU A 54 -3.211 11.121 -3.446 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.987 12.045 -3.756 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.447 10.335 -2.503 1.00 0.00 O ATOM 0 H GLU A 54 -2.281 8.737 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.406 10.651 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.787 10.814 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.771 9.295 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.205 10.395 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.505 11.914 -4.472 1.00 0.00 H new ATOM 899 N LEU A 55 -0.385 7.872 -4.877 1.00 0.00 N ATOM 900 CA LEU A 55 0.360 7.126 -3.878 1.00 0.00 C ATOM 901 C LEU A 55 1.715 6.664 -4.394 1.00 0.00 C ATOM 902 O LEU A 55 2.702 6.672 -3.655 1.00 0.00 O ATOM 903 CB LEU A 55 -0.469 5.934 -3.409 1.00 0.00 C ATOM 904 CG LEU A 55 -1.127 6.091 -2.034 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.079 6.347 -0.967 1.00 0.00 C ATOM 906 CD2 LEU A 55 -2.156 7.210 -2.055 1.00 0.00 C ATOM 0 H LEU A 55 -1.249 7.420 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 55 0.554 7.793 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.249 5.743 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.172 5.053 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.641 5.161 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.566 6.456 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.617 5.509 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.466 7.261 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.611 7.304 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.668 8.148 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.927 6.981 -2.790 1.00 0.00 H new ATOM 918 N SER A 56 1.765 6.278 -5.658 1.00 0.00 N ATOM 919 CA SER A 56 3.010 5.822 -6.263 1.00 0.00 C ATOM 920 C SER A 56 4.064 6.926 -6.245 1.00 0.00 C ATOM 921 O SER A 56 5.208 6.691 -5.858 1.00 0.00 O ATOM 922 CB SER A 56 2.767 5.328 -7.690 1.00 0.00 C ATOM 923 OG SER A 56 1.792 6.112 -8.350 1.00 0.00 O ATOM 0 H SER A 56 0.961 6.270 -6.286 1.00 0.00 H new ATOM 0 HA SER A 56 3.387 4.988 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.701 5.359 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.444 4.287 -7.666 1.00 0.00 H new ATOM 0 HG SER A 56 0.898 5.788 -8.115 1.00 0.00 H new ATOM 929 N ASN A 57 3.666 8.134 -6.626 1.00 0.00 N ATOM 930 CA ASN A 57 4.578 9.263 -6.668 1.00 0.00 C ATOM 931 C ASN A 57 5.105 9.610 -5.275 1.00 0.00 C ATOM 932 O ASN A 57 6.239 10.065 -5.128 1.00 0.00 O ATOM 933 CB ASN A 57 3.879 10.470 -7.290 1.00 0.00 C ATOM 934 CG ASN A 57 3.639 10.304 -8.782 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.398 9.627 -9.478 1.00 0.00 O ATOM 936 ND2 ASN A 57 2.581 10.923 -9.285 1.00 0.00 N ATOM 0 H ASN A 57 2.712 8.354 -6.911 1.00 0.00 H new ATOM 0 HA ASN A 57 5.434 8.986 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.925 10.631 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.482 11.362 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.372 10.848 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.976 11.475 -8.677 1.00 0.00 H new ATOM 943 N ILE A 58 4.279 9.390 -4.257 1.00 0.00 N ATOM 944 CA ILE A 58 4.664 9.657 -2.878 1.00 0.00 C ATOM 945 C ILE A 58 5.701 8.655 -2.399 1.00 0.00 C ATOM 946 O ILE A 58 6.773 9.026 -1.917 1.00 0.00 O ATOM 947 CB ILE A 58 3.456 9.563 -1.926 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.270 10.342 -2.487 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.830 10.079 -0.541 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.011 10.192 -1.666 1.00 0.00 C ATOM 0 H ILE A 58 3.333 9.025 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 58 5.073 10.667 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 58 3.166 8.516 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.533 11.398 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.073 10.006 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.966 10.006 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.647 9.480 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.145 11.120 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.208 10.772 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.724 9.141 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.191 10.555 -0.654 1.00 0.00 H new ATOM 962 N LEU A 59 5.375 7.380 -2.550 1.00 0.00 N ATOM 963 CA LEU A 59 6.186 6.312 -1.983 1.00 0.00 C ATOM 964 C LEU A 59 7.358 5.958 -2.893 1.00 0.00 C ATOM 965 O LEU A 59 8.058 4.971 -2.659 1.00 0.00 O ATOM 966 CB LEU A 59 5.329 5.072 -1.732 1.00 0.00 C ATOM 967 CG LEU A 59 4.042 5.313 -0.937 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.286 4.009 -0.743 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.340 5.963 0.406 1.00 0.00 C ATOM 0 H LEU A 59 4.553 7.059 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 59 6.589 6.669 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.065 4.633 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.932 4.336 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 59 3.415 5.997 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.374 4.198 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.028 3.590 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.912 3.303 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.408 6.122 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.992 5.312 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.834 6.921 0.245 1.00 0.00 H new ATOM 981 N ASN A 60 7.550 6.771 -3.930 1.00 0.00 N ATOM 982 CA ASN A 60 8.656 6.605 -4.877 1.00 0.00 C ATOM 983 C ASN A 60 8.517 5.279 -5.626 1.00 0.00 C ATOM 984 O ASN A 60 9.497 4.608 -5.942 1.00 0.00 O ATOM 985 CB ASN A 60 10.008 6.693 -4.153 1.00 0.00 C ATOM 986 CG ASN A 60 11.144 7.104 -5.073 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.387 8.293 -5.283 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.856 6.131 -5.614 1.00 0.00 N ATOM 0 H ASN A 60 6.944 7.564 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 60 8.616 7.414 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.931 7.410 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.240 5.726 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.638 6.353 -6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.623 5.158 -5.416 1.00 0.00 H new ATOM 995 N LEU A 61 7.278 4.925 -5.921 1.00 0.00 N ATOM 996 CA LEU A 61 6.974 3.717 -6.671 1.00 0.00 C ATOM 997 C LEU A 61 6.423 4.096 -8.036 1.00 0.00 C ATOM 998 O LEU A 61 6.348 5.278 -8.372 1.00 0.00 O ATOM 999 CB LEU A 61 5.958 2.857 -5.912 1.00 0.00 C ATOM 1000 CG LEU A 61 6.403 2.389 -4.525 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.294 1.598 -3.848 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.667 1.548 -4.625 1.00 0.00 C ATOM 0 H LEU A 61 6.456 5.464 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 61 7.888 3.136 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.033 3.425 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.726 1.980 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 61 6.620 3.269 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.628 1.273 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.410 2.228 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.048 0.726 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.968 1.224 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.474 0.674 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.465 2.142 -5.070 1.00 0.00 H new ATOM 1014 N SER A 62 6.052 3.105 -8.821 1.00 0.00 N ATOM 1015 CA SER A 62 5.522 3.356 -10.144 1.00 0.00 C ATOM 1016 C SER A 62 4.018 3.097 -10.173 1.00 0.00 C ATOM 1017 O SER A 62 3.507 2.249 -9.438 1.00 0.00 O ATOM 1018 CB SER A 62 6.247 2.483 -11.169 1.00 0.00 C ATOM 1019 OG SER A 62 5.707 2.646 -12.471 1.00 0.00 O ATOM 0 H SER A 62 6.108 2.119 -8.565 1.00 0.00 H new ATOM 0 HA SER A 62 5.688 4.402 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.307 2.738 -11.180 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.174 1.437 -10.873 1.00 0.00 H new ATOM 0 HG SER A 62 6.194 2.075 -13.101 1.00 0.00 H new ATOM 1025 N TYR A 63 3.322 3.848 -11.020 1.00 0.00 N ATOM 1026 CA TYR A 63 1.878 3.724 -11.195 1.00 0.00 C ATOM 1027 C TYR A 63 1.490 2.292 -11.538 1.00 0.00 C ATOM 1028 O TYR A 63 0.521 1.761 -11.001 1.00 0.00 O ATOM 1029 CB TYR A 63 1.408 4.685 -12.297 1.00 0.00 C ATOM 1030 CG TYR A 63 0.045 4.361 -12.877 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.124 4.735 -12.227 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.066 3.672 -14.080 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.365 4.435 -12.761 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.300 3.368 -14.619 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.446 3.748 -13.956 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.677 3.441 -14.492 1.00 0.00 O ATOM 0 H TYR A 63 3.746 4.565 -11.609 1.00 0.00 H new ATOM 0 HA TYR A 63 1.389 3.986 -10.256 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.385 5.697 -11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.142 4.680 -13.103 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.064 5.268 -11.290 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.830 3.369 -14.602 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.265 4.737 -12.246 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.367 2.835 -15.556 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.555 2.957 -15.336 1.00 0.00 H new ATOM 1046 N LYS A 64 2.268 1.667 -12.412 1.00 0.00 N ATOM 1047 CA LYS A 64 1.986 0.308 -12.853 1.00 0.00 C ATOM 1048 C LYS A 64 2.051 -0.653 -11.676 1.00 0.00 C ATOM 1049 O LYS A 64 1.219 -1.549 -11.541 1.00 0.00 O ATOM 1050 CB LYS A 64 2.985 -0.112 -13.934 1.00 0.00 C ATOM 1051 CG LYS A 64 2.713 -1.486 -14.525 1.00 0.00 C ATOM 1052 CD LYS A 64 3.637 -1.784 -15.696 1.00 0.00 C ATOM 1053 CE LYS A 64 3.401 -3.181 -16.252 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.847 -4.245 -15.312 1.00 0.00 N ATOM 0 H LYS A 64 3.101 2.081 -12.830 1.00 0.00 H new ATOM 0 HA LYS A 64 0.980 0.278 -13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.970 0.627 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.989 -0.102 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.843 -2.246 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.676 -1.542 -14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.478 -1.047 -16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.674 -1.689 -15.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.340 -3.310 -16.467 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.933 -3.288 -17.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.809 -5.168 -15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.822 -4.052 -15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.221 -4.259 -14.481 1.00 0.00 H new ATOM 1068 N GLN A 65 3.027 -0.438 -10.811 1.00 0.00 N ATOM 1069 CA GLN A 65 3.220 -1.296 -9.654 1.00 0.00 C ATOM 1070 C GLN A 65 2.155 -1.045 -8.594 1.00 0.00 C ATOM 1071 O GLN A 65 1.726 -1.975 -7.916 1.00 0.00 O ATOM 1072 CB GLN A 65 4.618 -1.106 -9.064 1.00 0.00 C ATOM 1073 CG GLN A 65 5.699 -1.911 -9.775 1.00 0.00 C ATOM 1074 CD GLN A 65 5.842 -1.556 -11.243 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.713 -0.608 -11.540 1.00 0.00 O flip ATOM 1076 NE2 GLN A 65 5.180 -2.134 -12.104 1.00 0.00 N flip ATOM 0 H GLN A 65 3.700 0.325 -10.888 1.00 0.00 H new ATOM 0 HA GLN A 65 3.123 -2.329 -9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.879 -0.049 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.600 -1.389 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.653 -1.747 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.470 -2.973 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.517 -2.861 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.294 -1.886 -13.087 1.00 0.00 H new ATOM 1085 N VAL A 66 1.712 0.203 -8.465 1.00 0.00 N ATOM 1086 CA VAL A 66 0.679 0.532 -7.481 1.00 0.00 C ATOM 1087 C VAL A 66 -0.703 0.091 -7.967 1.00 0.00 C ATOM 1088 O VAL A 66 -1.512 -0.412 -7.188 1.00 0.00 O ATOM 1089 CB VAL A 66 0.673 2.034 -7.125 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.515 2.381 -6.234 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.976 2.400 -6.432 1.00 0.00 C ATOM 0 H VAL A 66 2.044 0.993 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 66 0.920 -0.019 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 66 0.580 2.609 -8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.495 3.445 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.442 2.142 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.458 1.804 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.969 3.461 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.080 1.813 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.813 2.189 -7.097 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.954 0.255 -9.259 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.217 -0.168 -9.856 1.00 0.00 C ATOM 1103 C LYS A 67 -2.370 -1.682 -9.740 1.00 0.00 C ATOM 1104 O LYS A 67 -3.442 -2.192 -9.404 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.274 0.282 -11.322 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.619 0.067 -12.001 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.688 -1.257 -12.745 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.042 -1.438 -13.416 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.076 -2.635 -14.294 1.00 0.00 N ATOM 0 H LYS A 67 -0.299 0.679 -9.916 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.045 0.297 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.022 1.341 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.509 -0.255 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.410 0.102 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.805 0.883 -12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.898 -1.298 -13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.510 -2.078 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.815 -1.527 -12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.276 -0.551 -14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.016 -2.719 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.356 -2.540 -15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.879 -3.486 -13.729 1.00 0.00 H new ATOM 1123 N THR A 68 -1.279 -2.382 -9.999 1.00 0.00 N ATOM 1124 CA THR A 68 -1.247 -3.828 -9.893 1.00 0.00 C ATOM 1125 C THR A 68 -1.333 -4.257 -8.427 1.00 0.00 C ATOM 1126 O THR A 68 -2.010 -5.226 -8.096 1.00 0.00 O ATOM 1127 CB THR A 68 0.035 -4.395 -10.538 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.136 -3.939 -11.895 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.039 -5.916 -10.517 1.00 0.00 C ATOM 0 H THR A 68 -0.394 -1.965 -10.288 1.00 0.00 H new ATOM 0 HA THR A 68 -2.109 -4.228 -10.428 1.00 0.00 H new ATOM 0 HB THR A 68 0.888 -4.041 -9.960 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.671 -3.118 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.955 -6.284 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.014 -6.266 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.822 -6.290 -11.071 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.668 -3.506 -7.550 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.710 -3.775 -6.116 1.00 0.00 C ATOM 1139 C TRP A 69 -2.136 -3.652 -5.592 1.00 0.00 C ATOM 1140 O TRP A 69 -2.605 -4.507 -4.838 1.00 0.00 O ATOM 1141 CB TRP A 69 0.214 -2.806 -5.371 1.00 0.00 C ATOM 1142 CG TRP A 69 0.083 -2.855 -3.879 1.00 0.00 C ATOM 1143 CD1 TRP A 69 0.647 -3.763 -3.029 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.655 -1.939 -3.061 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.296 -3.472 -1.733 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.505 -2.358 -1.728 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.433 -0.808 -3.329 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -1.101 -1.683 -0.666 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.024 -0.140 -2.274 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.858 -0.582 -0.957 1.00 0.00 C ATOM 0 H TRP A 69 -0.093 -2.705 -7.810 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.365 -4.794 -5.943 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.247 -3.027 -5.641 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.006 -1.791 -5.709 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.276 -4.588 -3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.584 -3.999 -0.908 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.569 -0.463 -4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.970 -2.017 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.623 0.737 -2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -2.338 -0.043 -0.154 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.818 -2.590 -6.003 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.202 -2.369 -5.617 1.00 0.00 C ATOM 1163 C PHE A 70 -5.073 -3.548 -6.038 1.00 0.00 C ATOM 1164 O PHE A 70 -5.867 -4.058 -5.247 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.723 -1.070 -6.240 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.176 -0.801 -5.956 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.592 -0.403 -4.694 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -7.126 -0.955 -6.953 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.929 -0.165 -4.434 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.463 -0.720 -6.698 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.864 -0.323 -5.439 1.00 0.00 C ATOM 0 H PHE A 70 -2.430 -1.865 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.249 -2.281 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.129 -0.235 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.575 -1.110 -7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.864 -0.278 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.817 -1.262 -7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.242 0.144 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.194 -0.847 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.909 -0.136 -5.239 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.907 -3.996 -7.277 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.681 -5.120 -7.787 1.00 0.00 C ATOM 1183 C GLN A 71 -5.282 -6.422 -7.097 1.00 0.00 C ATOM 1184 O GLN A 71 -6.121 -7.276 -6.835 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.495 -5.255 -9.295 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.162 -4.148 -10.095 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.672 -4.166 -9.958 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.367 -4.831 -10.721 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -8.192 -3.432 -8.986 1.00 0.00 N ATOM 0 H GLN A 71 -4.246 -3.599 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.732 -4.925 -7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.429 -5.263 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.896 -6.216 -9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.781 -3.183 -9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.894 -4.251 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.582 -2.893 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.203 -3.406 -8.851 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.998 -6.553 -6.801 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.459 -7.735 -6.136 1.00 0.00 C ATOM 1200 C ASN A 72 -4.036 -7.848 -4.730 1.00 0.00 C ATOM 1201 O ASN A 72 -4.490 -8.914 -4.308 1.00 0.00 O ATOM 1202 CB ASN A 72 -1.923 -7.649 -6.081 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.245 -8.929 -5.609 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.794 -9.693 -4.816 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.031 -9.161 -6.083 1.00 0.00 N ATOM 0 H ASN A 72 -3.297 -5.843 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.740 -8.624 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.548 -7.397 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.639 -6.834 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.479 -9.995 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.394 -8.506 -6.739 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.019 -6.742 -4.001 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.590 -6.700 -2.663 1.00 0.00 C ATOM 1214 C GLN A 73 -6.089 -6.968 -2.728 1.00 0.00 C ATOM 1215 O GLN A 73 -6.634 -7.731 -1.930 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.321 -5.340 -2.015 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.842 -5.222 -0.593 1.00 0.00 C ATOM 1218 CD GLN A 73 -4.596 -3.851 0.002 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -3.556 -3.604 0.607 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -5.550 -2.954 -0.170 1.00 0.00 N ATOM 0 H GLN A 73 -3.615 -5.860 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.121 -7.473 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.247 -5.155 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.778 -4.561 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.911 -5.433 -0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.362 -5.977 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.398 -3.203 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.439 -2.013 0.207 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.732 -6.357 -3.710 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.173 -6.458 -3.875 1.00 0.00 C ATOM 1231 C ARG A 74 -8.586 -7.880 -4.247 1.00 0.00 C ATOM 1232 O ARG A 74 -9.543 -8.418 -3.690 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.634 -5.473 -4.952 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.958 -4.793 -4.650 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.139 -5.734 -4.806 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.388 -5.086 -4.428 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.282 -4.626 -5.301 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.089 -4.782 -6.610 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.373 -4.011 -4.863 1.00 0.00 N ATOM 0 H ARG A 74 -6.272 -5.779 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.650 -6.210 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.867 -4.709 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.719 -6.003 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.939 -4.403 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.086 -3.940 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.202 -6.073 -5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.985 -6.619 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.590 -4.978 -3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.252 -5.256 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.778 -4.427 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.524 -3.892 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.061 -3.657 -5.528 1.00 0.00 H new ATOM 1253 N MET A 75 -7.857 -8.498 -5.177 1.00 0.00 N ATOM 1254 CA MET A 75 -8.225 -9.830 -5.660 1.00 0.00 C ATOM 1255 C MET A 75 -8.060 -10.880 -4.564 1.00 0.00 C ATOM 1256 O MET A 75 -8.828 -11.834 -4.494 1.00 0.00 O ATOM 1257 CB MET A 75 -7.410 -10.228 -6.902 1.00 0.00 C ATOM 1258 CG MET A 75 -5.936 -10.487 -6.630 1.00 0.00 C ATOM 1259 SD MET A 75 -5.042 -11.070 -8.086 1.00 0.00 S ATOM 1260 CE MET A 75 -5.219 -9.665 -9.183 1.00 0.00 C ATOM 0 H MET A 75 -7.019 -8.105 -5.606 1.00 0.00 H new ATOM 0 HA MET A 75 -9.276 -9.787 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.850 -11.125 -7.338 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.496 -9.437 -7.647 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.472 -9.569 -6.269 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.843 -11.226 -5.834 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.510 -9.754 -10.006 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.234 -9.639 -9.580 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.021 -8.746 -8.632 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.076 -10.687 -3.688 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.805 -11.657 -2.629 1.00 0.00 C ATOM 1272 C LYS A 76 -7.899 -11.654 -1.568 1.00 0.00 C ATOM 1273 O LYS A 76 -8.045 -12.619 -0.826 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.447 -11.405 -1.973 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.264 -11.716 -2.877 1.00 0.00 C ATOM 1276 CD LYS A 76 -2.957 -11.782 -2.099 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.668 -10.478 -1.376 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.557 -9.332 -2.317 1.00 0.00 N ATOM 0 H LYS A 76 -6.458 -9.875 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.787 -12.639 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.391 -10.362 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.372 -12.011 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.434 -12.666 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.188 -10.952 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.004 -12.596 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.138 -12.009 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.461 -10.280 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.741 -10.574 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.243 -8.487 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.866 -9.559 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.484 -9.148 -2.751 1.00 0.00 H new