USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 102 LYS NZ :NH3+ -136:sc= -0.306 (180deg=0) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= -0.887 F(o=-5.5!,f=-1.2) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -4.8! C(o=-6.6!,f=-11!) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -147:sc= -1.76! (180deg=-2.3!) USER MOD Set 3.1: A 46 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.67) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.124) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0816 (180deg=-0.466) USER MOD Single : A 50 SER OG : rot -160:sc= -1.41 USER MOD Single : A 55 SER OG : rot -79:sc= -0.512! USER MOD Single : A 56 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.85!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.52 F(o=-2.7!,f=-1.5) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.074 F(o=-1.2,f=-0.074) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 174:sc= 0 (180deg=-0.0495) USER MOD Single : A 77 SER OG : rot -104:sc= -0.281 USER MOD Single : A 80 CYS SG : rot -84:sc= -7.72! USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0359 (180deg=-0.238) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.88! C(o=-1.9!,f=-5.5!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0535 F(o=-3.3!,f=-0.053) USER MOD Single : A 107 LYS NZ :NH3+ -175:sc= -2.62! (180deg=-3.05!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.64) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.252 F(o=-3!,f=-0.25) USER MOD Single : A 115 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 122 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.085) USER MOD Single : A 126 THR OG1 : rot -126:sc= 0.421 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -5.972 1.624 2.729 1.00 0.33 N ATOM 516 CA PRO A 36 -6.375 2.000 1.381 1.00 0.40 C ATOM 517 C PRO A 36 -5.987 0.935 0.372 1.00 0.35 C ATOM 518 O PRO A 36 -6.536 0.864 -0.728 1.00 0.48 O ATOM 519 CB PRO A 36 -5.591 3.282 1.134 1.00 0.47 C ATOM 520 CG PRO A 36 -4.342 3.098 1.918 1.00 0.27 C ATOM 521 CD PRO A 36 -4.735 2.318 3.146 1.00 0.30 C ATOM 0 HA PRO A 36 -7.453 2.122 1.280 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.380 3.422 0.074 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.146 4.159 1.467 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.592 2.560 1.337 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -3.906 4.060 2.189 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -3.958 1.612 3.440 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -4.910 2.973 3.999 1.00 0.30 H new ATOM 529 N ALA A 37 -5.029 0.105 0.766 1.00 0.27 N ATOM 530 CA ALA A 37 -4.542 -0.970 -0.079 1.00 0.31 C ATOM 531 C ALA A 37 -5.482 -2.165 -0.044 1.00 0.29 C ATOM 532 O ALA A 37 -5.522 -2.963 -0.983 1.00 0.35 O ATOM 533 CB ALA A 37 -3.149 -1.385 0.366 1.00 0.37 C ATOM 0 H ALA A 37 -4.572 0.160 1.676 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.499 -0.606 -1.106 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -2.789 -2.192 -0.272 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.474 -0.533 0.289 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.184 -1.728 1.400 1.00 0.37 H new ATOM 539 N GLU A 38 -6.245 -2.285 1.037 1.00 0.28 N ATOM 540 CA GLU A 38 -7.168 -3.398 1.176 1.00 0.30 C ATOM 541 C GLU A 38 -8.149 -3.431 0.010 1.00 0.25 C ATOM 542 O GLU A 38 -8.727 -4.473 -0.292 1.00 0.25 O ATOM 543 CB GLU A 38 -7.902 -3.346 2.516 1.00 0.38 C ATOM 544 CG GLU A 38 -9.209 -2.566 2.487 1.00 0.39 C ATOM 545 CD GLU A 38 -10.401 -3.434 2.132 1.00 0.86 C ATOM 546 OE1 GLU A 38 -10.736 -4.338 2.928 1.00 1.46 O ATOM 547 OE2 GLU A 38 -10.998 -3.209 1.060 1.00 1.36 O ATOM 0 H GLU A 38 -6.241 -1.632 1.820 1.00 0.28 H new ATOM 0 HA GLU A 38 -6.589 -4.321 1.157 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.108 -4.365 2.843 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.243 -2.899 3.260 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.376 -2.108 3.462 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -9.127 -1.755 1.764 1.00 0.39 H new ATOM 554 N ASN A 39 -8.342 -2.283 -0.635 1.00 0.28 N ATOM 555 CA ASN A 39 -9.220 -2.215 -1.795 1.00 0.30 C ATOM 556 C ASN A 39 -8.623 -3.078 -2.893 1.00 0.24 C ATOM 557 O ASN A 39 -9.288 -3.955 -3.450 1.00 0.22 O ATOM 558 CB ASN A 39 -9.376 -0.770 -2.274 1.00 0.37 C ATOM 559 CG ASN A 39 -10.262 -0.657 -3.502 1.00 1.22 C ATOM 560 OD1 ASN A 39 -11.240 -1.549 -3.613 1.00 2.04 O flip ATOM 561 ND2 ASN A 39 -10.070 0.224 -4.339 1.00 2.00 N flip ATOM 0 H ASN A 39 -7.907 -1.398 -0.376 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.212 -2.580 -1.529 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.797 -0.167 -1.469 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.393 -0.357 -2.500 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -9.307 0.889 -4.214 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -10.674 0.290 -5.158 1.00 2.00 H new ATOM 568 N PHE A 40 -7.350 -2.824 -3.192 1.00 0.23 N ATOM 569 CA PHE A 40 -6.640 -3.608 -4.185 1.00 0.21 C ATOM 570 C PHE A 40 -6.756 -5.070 -3.797 1.00 0.17 C ATOM 571 O PHE A 40 -6.980 -5.940 -4.637 1.00 0.19 O ATOM 572 CB PHE A 40 -5.167 -3.176 -4.253 1.00 0.23 C ATOM 573 CG PHE A 40 -4.178 -4.295 -4.050 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.794 -5.098 -5.111 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.631 -4.539 -2.800 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.886 -6.124 -4.928 1.00 2.32 C ATOM 577 CE2 PHE A 40 -2.725 -5.564 -2.612 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.357 -6.360 -3.671 1.00 2.54 C ATOM 0 H PHE A 40 -6.797 -2.084 -2.760 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.073 -3.451 -5.173 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.981 -2.715 -5.223 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -4.991 -2.411 -3.497 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.209 -4.921 -6.092 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -3.917 -3.920 -1.963 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.590 -6.740 -5.764 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.305 -5.741 -1.633 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.656 -7.168 -3.522 1.00 2.54 H new ATOM 588 N ARG A 41 -6.613 -5.318 -2.498 1.00 0.15 N ATOM 589 CA ARG A 41 -6.724 -6.659 -1.959 1.00 0.18 C ATOM 590 C ARG A 41 -8.093 -7.230 -2.265 1.00 0.21 C ATOM 591 O ARG A 41 -8.242 -8.424 -2.509 1.00 0.25 O ATOM 592 CB ARG A 41 -6.521 -6.650 -0.455 1.00 0.24 C ATOM 593 CG ARG A 41 -5.113 -6.350 -0.018 1.00 0.32 C ATOM 594 CD ARG A 41 -5.047 -6.231 1.490 1.00 0.33 C ATOM 595 NE ARG A 41 -6.372 -6.215 2.111 1.00 1.36 N ATOM 596 CZ ARG A 41 -6.638 -6.766 3.292 1.00 1.65 C ATOM 597 NH1 ARG A 41 -5.676 -7.365 3.979 1.00 1.07 N ATOM 598 NH2 ARG A 41 -7.868 -6.715 3.786 1.00 2.77 N ATOM 0 H ARG A 41 -6.419 -4.600 -1.800 1.00 0.15 H new ATOM 0 HA ARG A 41 -5.953 -7.275 -2.423 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.190 -5.910 -0.015 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.813 -7.621 -0.056 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.443 -7.140 -0.357 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.771 -5.423 -0.478 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -4.471 -7.065 1.892 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -4.514 -5.318 1.756 1.00 0.33 H new ATOM 0 HE ARG A 41 -7.133 -5.756 1.611 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -4.729 -7.404 3.602 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -5.883 -7.787 4.884 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -8.610 -6.253 3.260 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -8.072 -7.138 4.692 1.00 2.77 H new ATOM 612 N VAL A 42 -9.100 -6.367 -2.226 1.00 0.21 N ATOM 613 CA VAL A 42 -10.456 -6.785 -2.513 1.00 0.24 C ATOM 614 C VAL A 42 -10.545 -7.298 -3.940 1.00 0.20 C ATOM 615 O VAL A 42 -11.016 -8.404 -4.174 1.00 0.26 O ATOM 616 CB VAL A 42 -11.475 -5.644 -2.290 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.771 -5.919 -3.037 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.756 -5.476 -0.807 1.00 0.35 C ATOM 0 H VAL A 42 -8.999 -5.378 -1.999 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.711 -7.586 -1.819 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.044 -4.722 -2.679 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.471 -5.102 -2.864 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.565 -6.001 -4.104 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.206 -6.852 -2.679 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.475 -4.670 -0.662 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.165 -6.404 -0.407 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -10.830 -5.234 -0.286 1.00 0.35 H new ATOM 628 N LEU A 43 -10.066 -6.509 -4.892 1.00 0.15 N ATOM 629 CA LEU A 43 -10.112 -6.918 -6.291 1.00 0.15 C ATOM 630 C LEU A 43 -9.321 -8.204 -6.529 1.00 0.12 C ATOM 631 O LEU A 43 -9.750 -9.062 -7.301 1.00 0.14 O ATOM 632 CB LEU A 43 -9.602 -5.804 -7.201 1.00 0.16 C ATOM 633 CG LEU A 43 -10.435 -4.529 -7.170 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.800 -3.522 -6.237 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.594 -3.953 -8.568 1.00 0.24 C ATOM 0 H LEU A 43 -9.646 -5.594 -4.726 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.155 -7.118 -6.536 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.578 -5.561 -6.917 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.569 -6.176 -8.225 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.431 -4.769 -6.797 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.401 -2.613 -6.220 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.746 -3.941 -5.232 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.795 -3.286 -6.586 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.192 -3.043 -8.521 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.612 -3.720 -8.980 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.092 -4.682 -9.207 1.00 0.24 H new ATOM 647 N VAL A 44 -8.172 -8.348 -5.866 1.00 0.11 N ATOM 648 CA VAL A 44 -7.357 -9.547 -6.037 1.00 0.12 C ATOM 649 C VAL A 44 -7.996 -10.748 -5.341 1.00 0.15 C ATOM 650 O VAL A 44 -7.873 -11.882 -5.801 1.00 0.20 O ATOM 651 CB VAL A 44 -5.914 -9.376 -5.506 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.271 -8.118 -6.059 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.889 -9.360 -3.990 1.00 0.14 C ATOM 0 H VAL A 44 -7.791 -7.660 -5.216 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.306 -9.718 -7.112 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.335 -10.233 -5.849 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.258 -8.025 -5.668 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.236 -8.175 -7.147 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.856 -7.249 -5.760 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.862 -9.239 -3.644 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.495 -8.531 -3.625 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.291 -10.299 -3.610 1.00 0.14 H new ATOM 663 N LYS A 45 -8.682 -10.486 -4.230 1.00 0.19 N ATOM 664 CA LYS A 45 -9.338 -11.542 -3.467 1.00 0.26 C ATOM 665 C LYS A 45 -10.743 -11.796 -4.010 1.00 0.27 C ATOM 666 O LYS A 45 -11.390 -12.784 -3.658 1.00 0.32 O ATOM 667 CB LYS A 45 -9.397 -11.170 -1.976 1.00 0.32 C ATOM 668 CG LYS A 45 -10.549 -10.245 -1.619 1.00 0.34 C ATOM 669 CD LYS A 45 -10.615 -9.981 -0.123 1.00 0.42 C ATOM 670 CE LYS A 45 -9.426 -9.160 0.357 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.560 -8.773 1.788 1.00 0.75 N ATOM 0 H LYS A 45 -8.797 -9.551 -3.839 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.756 -12.458 -3.571 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.481 -12.083 -1.386 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.459 -10.693 -1.693 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.435 -9.300 -2.151 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.488 -10.687 -1.952 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.540 -9.455 0.113 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.642 -10.930 0.413 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.510 -9.734 0.221 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.334 -8.263 -0.255 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.625 -8.525 2.170 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.195 -7.953 1.868 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -9.954 -9.570 2.328 1.00 0.75 H new ATOM 685 N GLN A 46 -11.205 -10.894 -4.873 1.00 0.26 N ATOM 686 CA GLN A 46 -12.526 -11.005 -5.481 1.00 0.31 C ATOM 687 C GLN A 46 -12.397 -11.241 -6.986 1.00 0.34 C ATOM 688 O GLN A 46 -11.324 -11.586 -7.478 1.00 0.38 O ATOM 689 CB GLN A 46 -13.343 -9.731 -5.225 1.00 0.30 C ATOM 690 CG GLN A 46 -13.603 -9.450 -3.754 1.00 0.30 C ATOM 691 CD GLN A 46 -14.489 -10.495 -3.106 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.004 -11.492 -2.569 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.797 -10.275 -3.155 1.00 1.27 N ATOM 0 H GLN A 46 -10.678 -10.072 -5.168 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.042 -11.852 -5.029 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.817 -8.881 -5.660 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.298 -9.814 -5.743 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.652 -9.406 -3.223 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.070 -8.470 -3.653 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -16.156 -9.436 -3.610 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.443 -10.945 -2.738 1.00 1.27 H new ATOM 702 N LYS A 47 -13.497 -11.052 -7.706 1.00 0.40 N ATOM 703 CA LYS A 47 -13.509 -11.234 -9.154 1.00 0.46 C ATOM 704 C LYS A 47 -13.335 -9.892 -9.853 1.00 0.42 C ATOM 705 O LYS A 47 -13.225 -9.823 -11.078 1.00 0.47 O ATOM 706 CB LYS A 47 -14.829 -11.865 -9.590 1.00 0.52 C ATOM 707 CG LYS A 47 -16.021 -10.937 -9.408 1.00 0.53 C ATOM 708 CD LYS A 47 -17.331 -11.638 -9.735 1.00 0.85 C ATOM 709 CE LYS A 47 -17.687 -12.677 -8.683 1.00 1.64 C ATOM 710 NZ LYS A 47 -17.884 -12.063 -7.340 1.00 2.55 N ATOM 0 H LYS A 47 -14.394 -10.772 -7.310 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.685 -11.892 -9.429 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.758 -12.155 -10.638 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -14.995 -12.778 -9.018 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.048 -10.575 -8.380 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.905 -10.064 -10.050 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -18.131 -10.901 -9.805 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -17.254 -12.118 -10.710 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.597 -13.198 -8.981 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -16.895 -13.424 -8.628 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -18.424 -12.715 -6.736 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -16.958 -11.875 -6.905 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -18.407 -11.170 -7.440 1.00 2.55 H new ATOM 724 N LYS A 48 -13.319 -8.833 -9.054 1.00 0.36 N ATOM 725 CA LYS A 48 -13.179 -7.472 -9.557 1.00 0.40 C ATOM 726 C LYS A 48 -12.061 -7.347 -10.594 1.00 0.53 C ATOM 727 O LYS A 48 -12.317 -7.369 -11.798 1.00 1.19 O ATOM 728 CB LYS A 48 -12.913 -6.519 -8.392 1.00 0.32 C ATOM 729 CG LYS A 48 -14.042 -5.537 -8.126 1.00 0.73 C ATOM 730 CD LYS A 48 -15.226 -6.208 -7.450 1.00 0.46 C ATOM 731 CE LYS A 48 -14.930 -6.521 -5.992 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.128 -7.049 -5.284 1.00 1.46 N ATOM 0 H LYS A 48 -13.403 -8.893 -8.039 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.113 -7.208 -10.053 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.735 -7.105 -7.490 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.999 -5.960 -8.595 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.677 -4.725 -7.497 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.365 -5.091 -9.067 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.099 -5.559 -7.514 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.474 -7.129 -7.978 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.123 -7.251 -5.934 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.580 -5.619 -5.491 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.885 -7.250 -4.293 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.890 -6.342 -5.317 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.447 -7.924 -5.747 1.00 1.46 H new ATOM 746 N ALA A 49 -10.825 -7.215 -10.119 1.00 0.26 N ATOM 747 CA ALA A 49 -9.676 -7.063 -11.008 1.00 0.22 C ATOM 748 C ALA A 49 -8.580 -8.072 -10.697 1.00 0.20 C ATOM 749 O ALA A 49 -8.573 -8.693 -9.636 1.00 0.24 O ATOM 750 CB ALA A 49 -9.113 -5.659 -10.889 1.00 0.21 C ATOM 0 H ALA A 49 -10.594 -7.210 -9.126 1.00 0.26 H new ATOM 0 HA ALA A 49 -10.024 -7.244 -12.025 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.256 -5.553 -11.555 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.879 -4.935 -11.166 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.798 -5.479 -9.861 1.00 0.21 H new ATOM 756 N SER A 50 -7.653 -8.227 -11.637 1.00 0.21 N ATOM 757 CA SER A 50 -6.530 -9.132 -11.458 1.00 0.21 C ATOM 758 C SER A 50 -5.544 -8.527 -10.470 1.00 0.18 C ATOM 759 O SER A 50 -5.649 -7.350 -10.126 1.00 0.19 O ATOM 760 CB SER A 50 -5.838 -9.397 -12.796 1.00 0.25 C ATOM 761 OG SER A 50 -5.565 -8.185 -13.477 1.00 0.27 O ATOM 0 H SER A 50 -7.660 -7.735 -12.531 1.00 0.21 H new ATOM 0 HA SER A 50 -6.897 -10.081 -11.068 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.908 -9.940 -12.627 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.470 -10.032 -13.417 1.00 0.25 H new ATOM 0 HG SER A 50 -5.425 -8.369 -14.429 1.00 0.27 H new ATOM 767 N PHE A 51 -4.589 -9.325 -10.011 1.00 0.19 N ATOM 768 CA PHE A 51 -3.597 -8.839 -9.061 1.00 0.20 C ATOM 769 C PHE A 51 -2.829 -7.659 -9.641 1.00 0.23 C ATOM 770 O PHE A 51 -2.194 -6.903 -8.906 1.00 0.26 O ATOM 771 CB PHE A 51 -2.631 -9.956 -8.671 1.00 0.23 C ATOM 772 CG PHE A 51 -1.767 -9.597 -7.498 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.199 -9.833 -6.203 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.515 -9.040 -7.691 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.399 -9.516 -5.123 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.290 -8.724 -6.617 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.187 -8.906 -5.322 1.00 0.43 C ATOM 0 H PHE A 51 -4.480 -10.303 -10.278 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.122 -8.505 -8.166 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.200 -10.856 -8.435 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.996 -10.195 -9.524 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.173 -10.270 -6.036 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.164 -8.851 -8.695 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.728 -9.749 -4.121 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.285 -8.337 -6.780 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.395 -8.568 -4.477 1.00 0.43 H new ATOM 787 N GLU A 52 -2.898 -7.497 -10.956 1.00 0.25 N ATOM 788 CA GLU A 52 -2.193 -6.411 -11.622 1.00 0.28 C ATOM 789 C GLU A 52 -3.007 -5.116 -11.622 1.00 0.25 C ATOM 790 O GLU A 52 -2.533 -4.094 -11.138 1.00 0.28 O ATOM 791 CB GLU A 52 -1.800 -6.836 -13.044 1.00 0.33 C ATOM 792 CG GLU A 52 -2.838 -6.538 -14.116 1.00 0.35 C ATOM 793 CD GLU A 52 -2.406 -7.008 -15.492 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.591 -6.310 -16.128 1.00 0.83 O ATOM 795 OE2 GLU A 52 -2.883 -8.076 -15.932 1.00 0.80 O ATOM 0 H GLU A 52 -3.433 -8.101 -11.580 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.283 -6.200 -11.061 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.869 -6.336 -13.312 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.598 -7.907 -13.044 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.779 -7.020 -13.850 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -3.027 -5.465 -14.145 1.00 0.35 H new ATOM 802 N GLU A 53 -4.225 -5.156 -12.155 1.00 0.24 N ATOM 803 CA GLU A 53 -5.076 -3.970 -12.196 1.00 0.23 C ATOM 804 C GLU A 53 -5.343 -3.475 -10.787 1.00 0.19 C ATOM 805 O GLU A 53 -5.316 -2.274 -10.519 1.00 0.21 O ATOM 806 CB GLU A 53 -6.395 -4.284 -12.901 1.00 0.27 C ATOM 807 CG GLU A 53 -7.433 -3.183 -12.770 1.00 1.06 C ATOM 808 CD GLU A 53 -8.581 -3.343 -13.746 1.00 1.05 C ATOM 809 OE1 GLU A 53 -8.460 -2.861 -14.891 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.603 -3.952 -13.365 1.00 1.23 O ATOM 0 H GLU A 53 -4.644 -5.992 -12.563 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.561 -3.189 -12.756 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.198 -4.462 -13.958 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.804 -5.208 -12.493 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.824 -3.177 -11.753 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.955 -2.217 -12.933 1.00 1.06 H new ATOM 817 N ALA A 54 -5.605 -4.416 -9.894 1.00 0.19 N ATOM 818 CA ALA A 54 -5.864 -4.094 -8.505 1.00 0.16 C ATOM 819 C ALA A 54 -4.664 -3.381 -7.900 1.00 0.18 C ATOM 820 O ALA A 54 -4.792 -2.289 -7.339 1.00 0.17 O ATOM 821 CB ALA A 54 -6.176 -5.363 -7.736 1.00 0.16 C ATOM 0 H ALA A 54 -5.643 -5.412 -10.110 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.724 -3.427 -8.444 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.370 -5.117 -6.692 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -7.056 -5.842 -8.166 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.327 -6.043 -7.797 1.00 0.16 H new ATOM 827 N SER A 55 -3.491 -3.995 -8.032 1.00 0.26 N ATOM 828 CA SER A 55 -2.272 -3.405 -7.508 1.00 0.31 C ATOM 829 C SER A 55 -2.006 -2.091 -8.217 1.00 0.33 C ATOM 830 O SER A 55 -1.447 -1.163 -7.642 1.00 0.39 O ATOM 831 CB SER A 55 -1.093 -4.352 -7.703 1.00 0.43 C ATOM 832 OG SER A 55 -0.928 -4.664 -9.072 1.00 1.20 O ATOM 0 H SER A 55 -3.363 -4.895 -8.495 1.00 0.26 H new ATOM 0 HA SER A 55 -2.394 -3.225 -6.440 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.183 -3.893 -7.317 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.256 -5.267 -7.133 1.00 0.43 H new ATOM 0 HG SER A 55 -1.585 -5.342 -9.334 1.00 1.20 H new ATOM 838 N ASN A 56 -2.421 -2.029 -9.475 1.00 0.32 N ATOM 839 CA ASN A 56 -2.252 -0.831 -10.274 1.00 0.35 C ATOM 840 C ASN A 56 -3.047 0.312 -9.672 1.00 0.30 C ATOM 841 O ASN A 56 -2.571 1.443 -9.613 1.00 0.34 O ATOM 842 CB ASN A 56 -2.673 -1.088 -11.728 1.00 0.40 C ATOM 843 CG ASN A 56 -1.512 -1.536 -12.596 1.00 0.49 C ATOM 844 OD1 ASN A 56 -1.261 -2.730 -12.758 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.792 -0.573 -13.160 1.00 1.19 N ATOM 0 H ASN A 56 -2.878 -2.799 -9.962 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.198 -0.554 -10.275 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.453 -1.849 -11.748 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -3.105 -0.178 -12.145 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.003 -0.811 -13.753 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -1.034 0.405 -13.000 1.00 1.19 H new ATOM 852 N GLN A 57 -4.253 0.008 -9.213 1.00 0.25 N ATOM 853 CA GLN A 57 -5.099 1.013 -8.590 1.00 0.24 C ATOM 854 C GLN A 57 -4.556 1.345 -7.207 1.00 0.20 C ATOM 855 O GLN A 57 -4.751 2.447 -6.699 1.00 0.19 O ATOM 856 CB GLN A 57 -6.543 0.519 -8.492 1.00 0.27 C ATOM 857 CG GLN A 57 -7.523 1.594 -8.055 1.00 0.85 C ATOM 858 CD GLN A 57 -8.960 1.112 -8.064 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.234 -0.070 -7.849 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.889 2.027 -8.317 1.00 1.57 N ATOM 0 H GLN A 57 -4.665 -0.924 -9.261 1.00 0.25 H new ATOM 0 HA GLN A 57 -5.093 1.913 -9.205 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.852 0.130 -9.462 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.588 -0.311 -7.786 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -7.263 1.931 -7.052 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.429 2.456 -8.715 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -9.618 2.995 -8.490 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.874 1.762 -8.339 1.00 1.57 H new ATOM 869 N LEU A 58 -3.877 0.372 -6.598 1.00 0.19 N ATOM 870 CA LEU A 58 -3.278 0.571 -5.283 1.00 0.17 C ATOM 871 C LEU A 58 -2.144 1.580 -5.386 1.00 0.17 C ATOM 872 O LEU A 58 -2.167 2.621 -4.727 1.00 0.18 O ATOM 873 CB LEU A 58 -2.743 -0.759 -4.714 1.00 0.19 C ATOM 874 CG LEU A 58 -2.708 -0.890 -3.173 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.567 -1.802 -2.733 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.575 0.473 -2.504 1.00 0.20 C ATOM 0 H LEU A 58 -3.730 -0.556 -6.994 1.00 0.19 H new ATOM 0 HA LEU A 58 -4.045 0.949 -4.607 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.354 -1.570 -5.111 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.731 -0.908 -5.091 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.653 -1.333 -2.860 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.562 -1.879 -1.646 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.705 -2.792 -3.167 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.618 -1.387 -3.072 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.553 0.346 -1.422 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.652 0.951 -2.832 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.425 1.098 -2.779 1.00 0.20 H new ATOM 888 N ILE A 59 -1.158 1.280 -6.230 1.00 0.19 N ATOM 889 CA ILE A 59 -0.024 2.174 -6.401 1.00 0.20 C ATOM 890 C ILE A 59 -0.513 3.513 -6.945 1.00 0.18 C ATOM 891 O ILE A 59 -0.017 4.574 -6.569 1.00 0.16 O ATOM 892 CB ILE A 59 1.024 1.599 -7.378 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.206 0.091 -7.140 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.336 2.350 -7.232 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.443 -0.706 -8.399 1.00 0.38 C ATOM 0 H ILE A 59 -1.125 0.434 -6.798 1.00 0.19 H new ATOM 0 HA ILE A 59 0.447 2.297 -5.426 1.00 0.20 H new ATOM 0 HB ILE A 59 0.673 1.731 -8.401 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.047 -0.060 -6.463 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.319 -0.297 -6.639 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.070 1.938 -7.925 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.178 3.405 -7.456 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.703 2.246 -6.211 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.561 -1.760 -8.146 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.592 -0.587 -9.070 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.347 -0.348 -8.892 1.00 0.38 H new ATOM 907 N ASN A 60 -1.492 3.443 -7.852 1.00 0.20 N ATOM 908 CA ASN A 60 -2.077 4.638 -8.452 1.00 0.20 C ATOM 909 C ASN A 60 -2.623 5.552 -7.366 1.00 0.17 C ATOM 910 O ASN A 60 -2.360 6.758 -7.356 1.00 0.18 O ATOM 911 CB ASN A 60 -3.192 4.255 -9.423 1.00 0.22 C ATOM 912 CG ASN A 60 -2.686 4.021 -10.835 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.664 4.770 -11.235 1.00 0.81 O flip ATOM 914 ND2 ASN A 60 -3.213 3.179 -11.562 1.00 1.05 N flip ATOM 0 H ASN A 60 -1.895 2.567 -8.185 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.300 5.167 -9.004 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.686 3.352 -9.064 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.943 5.045 -9.437 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.996 2.625 -11.216 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -2.867 3.036 -12.511 1.00 1.05 H new ATOM 921 N HIS A 61 -3.393 4.971 -6.453 1.00 0.16 N ATOM 922 CA HIS A 61 -3.945 5.728 -5.345 1.00 0.16 C ATOM 923 C HIS A 61 -2.788 6.318 -4.548 1.00 0.13 C ATOM 924 O HIS A 61 -2.847 7.455 -4.064 1.00 0.12 O ATOM 925 CB HIS A 61 -4.823 4.812 -4.488 1.00 0.20 C ATOM 926 CG HIS A 61 -4.516 4.864 -3.034 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.424 4.239 -2.488 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.158 5.468 -2.011 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.402 4.455 -1.194 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.443 5.200 -0.874 1.00 0.30 N ATOM 0 H HIS A 61 -3.646 3.983 -6.461 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.575 6.543 -5.700 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.868 5.084 -4.638 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.707 3.786 -4.836 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.064 6.052 -2.077 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.656 4.085 -0.506 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.677 5.523 0.065 1.00 0.30 H new ATOM 939 N ILE A 62 -1.725 5.529 -4.444 1.00 0.14 N ATOM 940 CA ILE A 62 -0.519 5.946 -3.753 1.00 0.13 C ATOM 941 C ILE A 62 0.146 7.088 -4.509 1.00 0.11 C ATOM 942 O ILE A 62 0.869 7.890 -3.928 1.00 0.12 O ATOM 943 CB ILE A 62 0.471 4.778 -3.611 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.130 3.685 -2.728 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.797 5.262 -3.050 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.220 4.059 -1.263 1.00 0.75 C ATOM 0 H ILE A 62 -1.678 4.588 -4.835 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.802 6.282 -2.755 1.00 0.13 H new ATOM 0 HB ILE A 62 0.661 4.358 -4.599 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.128 3.445 -3.093 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.471 2.781 -2.826 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.482 4.419 -2.958 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.226 6.007 -3.721 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.636 5.708 -2.068 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.657 3.232 -0.703 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.778 4.270 -0.879 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.846 4.944 -1.151 1.00 0.75 H new ATOM 958 N GLU A 63 -0.096 7.144 -5.816 1.00 0.12 N ATOM 959 CA GLU A 63 0.461 8.206 -6.643 1.00 0.13 C ATOM 960 C GLU A 63 -0.272 9.506 -6.359 1.00 0.12 C ATOM 961 O GLU A 63 0.345 10.565 -6.241 1.00 0.11 O ATOM 962 CB GLU A 63 0.373 7.846 -8.126 1.00 0.17 C ATOM 963 CG GLU A 63 1.352 6.760 -8.534 1.00 0.17 C ATOM 964 CD GLU A 63 1.194 6.340 -9.982 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.495 7.159 -10.873 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.764 5.191 -10.223 1.00 0.70 O ATOM 0 H GLU A 63 -0.671 6.470 -6.321 1.00 0.12 H new ATOM 0 HA GLU A 63 1.515 8.330 -6.397 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.641 7.517 -8.354 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.561 8.739 -8.722 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.370 7.115 -8.373 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.212 5.891 -7.891 1.00 0.17 H new ATOM 973 N GLN A 64 -1.599 9.425 -6.254 1.00 0.14 N ATOM 974 CA GLN A 64 -2.401 10.597 -5.932 1.00 0.14 C ATOM 975 C GLN A 64 -1.896 11.164 -4.612 1.00 0.11 C ATOM 976 O GLN A 64 -1.619 12.366 -4.482 1.00 0.10 O ATOM 977 CB GLN A 64 -3.883 10.230 -5.829 1.00 0.18 C ATOM 978 CG GLN A 64 -4.794 11.428 -5.607 1.00 0.91 C ATOM 979 CD GLN A 64 -4.779 12.398 -6.774 1.00 1.57 C ATOM 980 OE1 GLN A 64 -4.570 11.876 -7.978 1.00 2.40 O flip ATOM 981 NE2 GLN A 64 -4.957 13.603 -6.596 1.00 2.11 N flip ATOM 0 H GLN A 64 -2.134 8.567 -6.387 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.306 11.342 -6.722 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.186 9.718 -6.742 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -4.018 9.525 -5.009 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -5.813 11.079 -5.443 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.486 11.951 -4.701 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.114 13.962 -5.654 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -4.947 14.243 -7.390 1.00 2.11 H new ATOM 990 N PHE A 65 -1.770 10.282 -3.626 1.00 0.11 N ATOM 991 CA PHE A 65 -1.246 10.691 -2.339 1.00 0.11 C ATOM 992 C PHE A 65 0.147 11.286 -2.551 1.00 0.10 C ATOM 993 O PHE A 65 0.421 12.411 -2.151 1.00 0.12 O ATOM 994 CB PHE A 65 -1.171 9.506 -1.366 1.00 0.14 C ATOM 995 CG PHE A 65 0.169 9.385 -0.708 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.606 10.362 0.161 1.00 0.16 C ATOM 997 CD2 PHE A 65 0.966 8.270 -0.922 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.815 10.239 0.803 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.172 8.137 -0.274 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.683 9.201 0.423 1.00 0.16 C ATOM 0 H PHE A 65 -2.021 9.296 -3.696 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.913 11.433 -1.900 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.939 9.620 -0.601 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.392 8.584 -1.904 1.00 0.14 H new ATOM 0 HD1 PHE A 65 -0.008 11.233 0.339 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.637 7.500 -1.603 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.093 10.928 1.586 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.712 7.202 -0.314 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.732 9.241 0.675 1.00 0.16 H new ATOM 1010 N LEU A 66 1.025 10.512 -3.186 1.00 0.09 N ATOM 1011 CA LEU A 66 2.386 10.963 -3.439 1.00 0.10 C ATOM 1012 C LEU A 66 2.366 12.300 -4.161 1.00 0.11 C ATOM 1013 O LEU A 66 3.350 13.038 -4.151 1.00 0.17 O ATOM 1014 CB LEU A 66 3.175 9.908 -4.223 1.00 0.11 C ATOM 1015 CG LEU A 66 3.731 8.760 -3.368 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.392 7.704 -4.238 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.718 9.286 -2.325 1.00 0.08 C ATOM 0 H LEU A 66 0.817 9.575 -3.532 1.00 0.09 H new ATOM 0 HA LEU A 66 2.895 11.102 -2.485 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.529 9.489 -4.994 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.004 10.398 -4.733 1.00 0.11 H new ATOM 0 HG LEU A 66 2.893 8.297 -2.846 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.777 6.902 -3.608 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.660 7.297 -4.936 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.214 8.154 -4.795 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.098 8.454 -1.732 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.548 9.783 -2.827 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.212 9.997 -1.671 1.00 0.08 H new ATOM 1029 N ASP A 67 1.238 12.611 -4.788 1.00 0.09 N ATOM 1030 CA ASP A 67 1.089 13.888 -5.459 1.00 0.10 C ATOM 1031 C ASP A 67 0.916 14.960 -4.393 1.00 0.11 C ATOM 1032 O ASP A 67 1.486 16.047 -4.492 1.00 0.13 O ATOM 1033 CB ASP A 67 -0.103 13.883 -6.418 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.090 15.070 -7.360 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.535 14.967 -8.437 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.707 16.103 -7.023 1.00 0.17 O ATOM 0 H ASP A 67 0.423 12.001 -4.844 1.00 0.09 H new ATOM 0 HA ASP A 67 1.975 14.089 -6.061 1.00 0.10 H new ATOM 0 HB2 ASP A 67 -0.095 12.961 -6.999 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -1.029 13.889 -5.843 1.00 0.11 H new ATOM 1041 N THR A 68 0.118 14.641 -3.366 1.00 0.10 N ATOM 1042 CA THR A 68 -0.085 15.571 -2.253 1.00 0.12 C ATOM 1043 C THR A 68 1.234 15.792 -1.509 1.00 0.13 C ATOM 1044 O THR A 68 2.268 15.244 -1.890 1.00 0.13 O ATOM 1045 CB THR A 68 -1.167 15.088 -1.247 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.749 16.218 -0.586 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.605 14.134 -0.195 1.00 0.13 C ATOM 0 H THR A 68 -0.389 13.760 -3.284 1.00 0.10 H new ATOM 0 HA THR A 68 -0.440 16.505 -2.688 1.00 0.12 H new ATOM 0 HB THR A 68 -1.918 14.546 -1.821 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.432 15.911 0.046 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.403 13.828 0.482 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.189 13.255 -0.687 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.178 14.638 0.372 1.00 0.13 H new ATOM 1055 N ASN A 69 1.190 16.592 -0.451 1.00 0.15 N ATOM 1056 CA ASN A 69 2.384 16.880 0.338 1.00 0.17 C ATOM 1057 C ASN A 69 2.273 16.302 1.748 1.00 0.18 C ATOM 1058 O ASN A 69 3.159 16.496 2.581 1.00 0.20 O ATOM 1059 CB ASN A 69 2.605 18.389 0.407 1.00 0.19 C ATOM 1060 CG ASN A 69 3.193 18.946 -0.875 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.464 19.369 -1.772 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.517 18.945 -0.967 1.00 1.16 N ATOM 0 H ASN A 69 0.343 17.053 -0.119 1.00 0.15 H new ATOM 0 HA ASN A 69 3.236 16.408 -0.151 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.656 18.883 0.613 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.271 18.618 1.239 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.970 19.305 -1.807 1.00 1.16 H new ATOM 0 HD22 ASN A 69 5.081 18.584 -0.198 1.00 1.16 H new ATOM 1069 N GLU A 70 1.181 15.593 2.003 1.00 0.17 N ATOM 1070 CA GLU A 70 0.938 14.988 3.310 1.00 0.19 C ATOM 1071 C GLU A 70 1.721 13.684 3.463 1.00 0.17 C ATOM 1072 O GLU A 70 1.743 12.861 2.549 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.559 14.710 3.474 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.447 15.774 2.847 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.578 17.011 3.713 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -0.748 17.933 3.564 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -2.512 17.059 4.543 1.00 0.73 O ATOM 0 H GLU A 70 0.444 15.421 1.319 1.00 0.17 H new ATOM 0 HA GLU A 70 1.273 15.683 4.080 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.792 13.744 3.026 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.792 14.634 4.536 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -1.039 16.056 1.877 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.437 15.355 2.667 1.00 0.22 H new ATOM 1084 N THR A 71 2.363 13.496 4.618 1.00 0.12 N ATOM 1085 CA THR A 71 3.131 12.276 4.860 1.00 0.10 C ATOM 1086 C THR A 71 2.405 11.247 5.734 1.00 0.13 C ATOM 1087 O THR A 71 2.861 10.115 5.814 1.00 0.13 O ATOM 1088 CB THR A 71 4.508 12.547 5.482 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.373 13.354 6.656 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.425 13.231 4.480 1.00 0.11 C ATOM 0 H THR A 71 2.366 14.163 5.390 1.00 0.12 H new ATOM 0 HA THR A 71 3.257 11.857 3.862 1.00 0.10 H new ATOM 0 HB THR A 71 4.952 11.591 5.760 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.258 13.518 7.044 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.396 13.414 4.941 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.553 12.590 3.607 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.985 14.180 4.172 1.00 0.11 H new ATOM 1098 N PRO A 72 1.301 11.576 6.439 1.00 0.17 N ATOM 1099 CA PRO A 72 0.607 10.559 7.224 1.00 0.23 C ATOM 1100 C PRO A 72 0.353 9.343 6.352 1.00 0.17 C ATOM 1101 O PRO A 72 0.253 8.208 6.821 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.716 11.221 7.593 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.430 12.678 7.572 1.00 0.32 C ATOM 1104 CD PRO A 72 0.650 12.895 6.543 1.00 0.18 C ATOM 0 HA PRO A 72 1.169 10.228 8.097 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.500 10.962 6.882 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.059 10.899 8.576 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.326 13.244 7.317 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.104 13.022 8.553 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.234 13.213 5.587 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.354 13.666 6.857 1.00 0.18 H new ATOM 1112 N TYR A 73 0.254 9.634 5.062 1.00 0.16 N ATOM 1113 CA TYR A 73 0.003 8.647 4.029 1.00 0.16 C ATOM 1114 C TYR A 73 1.298 8.027 3.473 1.00 0.13 C ATOM 1115 O TYR A 73 1.240 6.994 2.813 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.797 9.319 2.905 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.984 10.127 3.399 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.679 9.743 4.539 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.408 11.272 2.730 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.762 10.472 4.997 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.488 12.006 3.183 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.161 11.613 4.297 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.238 12.330 4.768 1.00 0.50 O ATOM 0 H TYR A 73 0.348 10.583 4.700 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.563 7.825 4.467 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.133 9.973 2.340 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.152 8.553 2.216 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.368 8.860 5.077 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.884 11.592 1.842 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.293 10.163 5.885 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.798 12.893 2.651 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.401 13.098 4.182 1.00 0.50 H new ATOM 1133 N PHE A 74 2.460 8.659 3.712 1.00 0.11 N ATOM 1134 CA PHE A 74 3.729 8.129 3.188 1.00 0.10 C ATOM 1135 C PHE A 74 4.168 6.860 3.920 1.00 0.09 C ATOM 1136 O PHE A 74 4.670 5.919 3.299 1.00 0.08 O ATOM 1137 CB PHE A 74 4.821 9.232 3.101 1.00 0.11 C ATOM 1138 CG PHE A 74 5.751 9.455 4.277 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.390 9.184 5.583 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.012 9.983 4.042 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.262 9.430 6.628 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.887 10.235 5.080 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.511 9.956 6.377 1.00 0.17 C ATOM 0 H PHE A 74 2.547 9.519 4.253 1.00 0.11 H new ATOM 0 HA PHE A 74 3.561 7.812 2.159 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.440 9.011 2.232 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.316 10.177 2.900 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.413 8.774 5.791 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.315 10.201 3.029 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.964 9.210 7.642 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.863 10.650 4.877 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.192 10.149 7.193 1.00 0.17 H new ATOM 1153 N MET A 75 3.958 6.808 5.225 1.00 0.09 N ATOM 1154 CA MET A 75 4.287 5.609 5.972 1.00 0.09 C ATOM 1155 C MET A 75 3.179 4.611 5.700 1.00 0.09 C ATOM 1156 O MET A 75 3.395 3.401 5.614 1.00 0.11 O ATOM 1157 CB MET A 75 4.418 5.893 7.472 1.00 0.14 C ATOM 1158 CG MET A 75 3.915 7.260 7.896 1.00 0.30 C ATOM 1159 SD MET A 75 3.345 7.299 9.606 1.00 0.52 S ATOM 1160 CE MET A 75 4.849 6.862 10.475 1.00 1.81 C ATOM 0 H MET A 75 3.568 7.569 5.780 1.00 0.09 H new ATOM 0 HA MET A 75 5.254 5.217 5.657 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.869 5.130 8.023 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.466 5.800 7.757 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.713 7.991 7.768 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.099 7.561 7.239 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.686 6.948 11.549 1.00 1.81 H new ATOM 0 HE2 MET A 75 5.126 5.836 10.231 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.652 7.536 10.175 1.00 1.81 H new ATOM 1170 N LYS A 76 1.980 5.155 5.543 1.00 0.09 N ATOM 1171 CA LYS A 76 0.817 4.361 5.215 1.00 0.10 C ATOM 1172 C LYS A 76 1.001 3.825 3.800 1.00 0.10 C ATOM 1173 O LYS A 76 0.457 2.783 3.432 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.442 5.215 5.322 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.721 4.474 4.983 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.565 5.251 3.989 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.786 5.559 2.719 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.666 6.070 1.634 1.00 0.96 N ATOM 0 H LYS A 76 1.793 6.153 5.640 1.00 0.09 H new ATOM 0 HA LYS A 76 0.708 3.528 5.909 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.519 5.605 6.337 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.344 6.073 4.657 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.477 3.496 4.569 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.295 4.301 5.893 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.457 4.676 3.740 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.902 6.182 4.445 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.014 6.297 2.937 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.277 4.657 2.378 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -2.300 5.755 0.713 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.630 5.704 1.768 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -2.684 7.109 1.662 1.00 0.96 H new ATOM 1192 N SER A 77 1.787 4.563 3.009 1.00 0.09 N ATOM 1193 CA SER A 77 2.097 4.148 1.653 1.00 0.09 C ATOM 1194 C SER A 77 2.958 2.915 1.760 1.00 0.08 C ATOM 1195 O SER A 77 2.690 1.900 1.124 1.00 0.09 O ATOM 1196 CB SER A 77 2.848 5.235 0.880 1.00 0.10 C ATOM 1197 OG SER A 77 4.247 5.088 1.024 1.00 0.10 O ATOM 0 H SER A 77 2.214 5.445 3.290 1.00 0.09 H new ATOM 0 HA SER A 77 1.173 3.954 1.108 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.581 5.185 -0.176 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.544 6.218 1.240 1.00 0.10 H new ATOM 0 HG SER A 77 4.583 5.758 1.655 1.00 0.10 H new ATOM 1203 N ILE A 78 4.001 3.015 2.586 1.00 0.09 N ATOM 1204 CA ILE A 78 4.871 1.880 2.817 1.00 0.09 C ATOM 1205 C ILE A 78 4.001 0.685 3.167 1.00 0.11 C ATOM 1206 O ILE A 78 4.252 -0.436 2.732 1.00 0.12 O ATOM 1207 CB ILE A 78 5.891 2.149 3.956 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.290 1.758 3.510 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.523 1.402 5.229 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.811 2.635 2.407 1.00 0.13 C ATOM 0 H ILE A 78 4.255 3.861 3.096 1.00 0.09 H new ATOM 0 HA ILE A 78 5.451 1.689 1.914 1.00 0.09 H new ATOM 0 HB ILE A 78 5.866 3.216 4.176 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.967 1.812 4.362 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.283 0.722 3.173 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.261 1.616 6.002 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.538 1.724 5.568 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.506 0.330 5.030 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.814 2.311 2.127 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.152 2.562 1.542 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.846 3.669 2.750 1.00 0.13 H new ATOM 1222 N ASP A 79 2.955 0.958 3.944 1.00 0.11 N ATOM 1223 CA ASP A 79 2.013 -0.070 4.353 1.00 0.13 C ATOM 1224 C ASP A 79 1.288 -0.657 3.145 1.00 0.13 C ATOM 1225 O ASP A 79 1.071 -1.866 3.079 1.00 0.16 O ATOM 1226 CB ASP A 79 1.011 0.502 5.358 1.00 0.13 C ATOM 1227 CG ASP A 79 1.474 0.340 6.793 1.00 0.15 C ATOM 1228 OD1 ASP A 79 2.239 1.203 7.271 1.00 0.69 O ATOM 1229 OD2 ASP A 79 1.072 -0.651 7.437 1.00 0.68 O ATOM 0 H ASP A 79 2.742 1.889 4.302 1.00 0.11 H new ATOM 0 HA ASP A 79 2.569 -0.875 4.834 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.853 1.560 5.147 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.049 0.005 5.231 1.00 0.13 H new ATOM 1234 N CYS A 80 0.894 0.194 2.195 1.00 0.14 N ATOM 1235 CA CYS A 80 0.224 -0.292 0.990 1.00 0.16 C ATOM 1236 C CYS A 80 1.145 -1.273 0.285 1.00 0.14 C ATOM 1237 O CYS A 80 0.729 -2.354 -0.150 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.121 0.853 0.043 1.00 0.23 C ATOM 1239 SG CYS A 80 1.171 1.213 -1.171 1.00 0.65 S ATOM 0 H CYS A 80 1.025 1.205 2.235 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.708 -0.778 1.280 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.044 0.610 -0.484 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.315 1.751 0.630 1.00 0.23 H new ATOM 0 HG CYS A 80 2.057 2.002 -0.640 1.00 0.65 H new ATOM 1245 N ILE A 81 2.408 -0.871 0.159 1.00 0.16 N ATOM 1246 CA ILE A 81 3.404 -1.720 -0.448 1.00 0.17 C ATOM 1247 C ILE A 81 3.380 -3.049 0.300 1.00 0.17 C ATOM 1248 O ILE A 81 3.376 -4.126 -0.285 1.00 0.19 O ATOM 1249 CB ILE A 81 4.822 -1.112 -0.323 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.067 -0.051 -1.391 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.882 -2.194 -0.397 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.778 1.354 -0.914 1.00 0.32 C ATOM 0 H ILE A 81 2.755 0.036 0.471 1.00 0.16 H new ATOM 0 HA ILE A 81 3.180 -1.838 -1.508 1.00 0.17 H new ATOM 0 HB ILE A 81 4.888 -0.629 0.652 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.104 -0.109 -1.720 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.444 -0.268 -2.259 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.870 -1.742 -0.307 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.733 -2.906 0.415 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.806 -2.713 -1.353 1.00 0.20 H new ATOM 0 HD11 ILE A 81 4.973 2.060 -1.722 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.733 1.428 -0.611 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.419 1.589 -0.065 1.00 0.32 H new ATOM 1264 N ARG A 82 3.356 -2.931 1.627 1.00 0.18 N ATOM 1265 CA ARG A 82 3.309 -4.084 2.511 1.00 0.20 C ATOM 1266 C ARG A 82 2.069 -4.921 2.213 1.00 0.26 C ATOM 1267 O ARG A 82 2.078 -6.143 2.367 1.00 0.36 O ATOM 1268 CB ARG A 82 3.290 -3.620 3.973 1.00 0.18 C ATOM 1269 CG ARG A 82 4.646 -3.653 4.661 1.00 0.18 C ATOM 1270 CD ARG A 82 5.482 -2.423 4.341 1.00 0.16 C ATOM 1271 NE ARG A 82 6.768 -2.448 5.034 1.00 0.33 N ATOM 1272 CZ ARG A 82 6.982 -1.860 6.207 1.00 0.92 C ATOM 1273 NH1 ARG A 82 6.000 -1.214 6.822 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.181 -1.921 6.771 1.00 0.85 N ATOM 0 H ARG A 82 3.369 -2.035 2.114 1.00 0.18 H new ATOM 0 HA ARG A 82 4.196 -4.696 2.344 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.900 -2.603 4.013 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.597 -4.249 4.532 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.503 -3.723 5.739 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.186 -4.548 4.353 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.649 -2.367 3.265 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.933 -1.526 4.626 1.00 0.16 H new ATOM 0 HE ARG A 82 7.544 -2.943 4.594 1.00 0.33 H new ATOM 0 HH11 ARG A 82 5.075 -1.167 6.395 1.00 2.05 H new ATOM 0 HH12 ARG A 82 6.170 -0.765 7.722 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.939 -2.419 6.305 1.00 0.85 H new ATOM 0 HH22 ARG A 82 8.345 -1.470 7.671 1.00 0.85 H new ATOM 1288 N ALA A 83 1.000 -4.248 1.786 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.249 -4.923 1.454 1.00 0.27 C ATOM 1290 C ALA A 83 -0.051 -5.864 0.278 1.00 0.31 C ATOM 1291 O ALA A 83 -0.283 -7.067 0.387 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.340 -3.914 1.134 1.00 0.25 C ATOM 0 H ALA A 83 0.977 -3.236 1.663 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.558 -5.505 2.322 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.262 -4.441 0.889 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.507 -3.272 1.999 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -1.034 -3.304 0.284 1.00 0.25 H new ATOM 1298 N PHE A 84 0.387 -5.311 -0.850 1.00 0.30 N ATOM 1299 CA PHE A 84 0.612 -6.117 -2.045 1.00 0.40 C ATOM 1300 C PHE A 84 1.797 -7.058 -1.848 1.00 0.36 C ATOM 1301 O PHE A 84 1.962 -8.023 -2.593 1.00 0.36 O ATOM 1302 CB PHE A 84 0.850 -5.222 -3.273 1.00 0.65 C ATOM 1303 CG PHE A 84 2.274 -5.217 -3.758 1.00 1.18 C ATOM 1304 CD1 PHE A 84 3.241 -4.483 -3.095 1.00 2.05 C ATOM 1305 CD2 PHE A 84 2.643 -5.957 -4.868 1.00 2.00 C ATOM 1306 CE1 PHE A 84 4.553 -4.487 -3.527 1.00 3.01 C ATOM 1307 CE2 PHE A 84 3.952 -5.963 -5.307 1.00 3.01 C ATOM 1308 CZ PHE A 84 4.909 -5.225 -4.635 1.00 3.37 C ATOM 0 H PHE A 84 0.591 -4.318 -0.961 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.284 -6.714 -2.218 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.202 -5.555 -4.084 1.00 0.65 H new ATOM 0 HB3 PHE A 84 0.556 -4.201 -3.029 1.00 0.65 H new ATOM 0 HD1 PHE A 84 2.967 -3.899 -2.229 1.00 2.05 H new ATOM 0 HD2 PHE A 84 1.899 -6.536 -5.396 1.00 2.00 H new ATOM 0 HE1 PHE A 84 5.299 -3.913 -2.997 1.00 3.01 H new ATOM 0 HE2 PHE A 84 4.228 -6.544 -6.175 1.00 3.01 H new ATOM 0 HZ PHE A 84 5.933 -5.227 -4.978 1.00 3.37 H new ATOM 1318 N ARG A 85 2.618 -6.772 -0.843 1.00 0.39 N ATOM 1319 CA ARG A 85 3.795 -7.585 -0.574 1.00 0.43 C ATOM 1320 C ARG A 85 3.425 -9.002 -0.134 1.00 0.38 C ATOM 1321 O ARG A 85 3.742 -9.978 -0.819 1.00 0.37 O ATOM 1322 CB ARG A 85 4.667 -6.925 0.497 1.00 0.56 C ATOM 1323 CG ARG A 85 5.711 -5.972 -0.064 1.00 0.88 C ATOM 1324 CD ARG A 85 6.546 -5.350 1.043 1.00 0.72 C ATOM 1325 NE ARG A 85 7.224 -6.363 1.850 1.00 1.07 N ATOM 1326 CZ ARG A 85 7.684 -6.142 3.077 1.00 1.14 C ATOM 1327 NH1 ARG A 85 7.547 -4.946 3.637 1.00 1.31 N ATOM 1328 NH2 ARG A 85 8.283 -7.116 3.746 1.00 1.75 N ATOM 0 H ARG A 85 2.490 -5.987 -0.205 1.00 0.39 H new ATOM 0 HA ARG A 85 4.354 -7.658 -1.507 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.026 -6.380 1.189 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.170 -7.702 1.073 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.362 -6.508 -0.755 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.218 -5.186 -0.636 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.286 -4.679 0.606 1.00 0.72 H new ATOM 0 HD3 ARG A 85 5.905 -4.744 1.684 1.00 0.72 H new ATOM 0 HE ARG A 85 7.351 -7.292 1.449 1.00 1.07 H new ATOM 0 HH11 ARG A 85 7.087 -4.193 3.125 1.00 1.31 H new ATOM 0 HH12 ARG A 85 7.901 -4.780 4.579 1.00 1.31 H new ATOM 0 HH21 ARG A 85 8.391 -8.036 3.319 1.00 1.75 H new ATOM 0 HH22 ARG A 85 8.636 -6.946 4.688 1.00 1.75 H new ATOM 1342 N GLU A 86 2.748 -9.109 1.006 1.00 0.38 N ATOM 1343 CA GLU A 86 2.346 -10.405 1.545 1.00 0.36 C ATOM 1344 C GLU A 86 1.332 -11.095 0.638 1.00 0.31 C ATOM 1345 O GLU A 86 1.226 -12.324 0.627 1.00 0.44 O ATOM 1346 CB GLU A 86 1.757 -10.236 2.947 1.00 0.41 C ATOM 1347 CG GLU A 86 2.741 -9.664 3.955 1.00 1.13 C ATOM 1348 CD GLU A 86 3.938 -10.567 4.176 1.00 1.53 C ATOM 1349 OE1 GLU A 86 3.861 -11.450 5.057 1.00 1.91 O ATOM 1350 OE2 GLU A 86 4.953 -10.392 3.470 1.00 1.89 O ATOM 0 H GLU A 86 2.466 -8.312 1.576 1.00 0.38 H new ATOM 0 HA GLU A 86 3.236 -11.032 1.600 1.00 0.36 H new ATOM 0 HB2 GLU A 86 0.887 -9.582 2.890 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.406 -11.204 3.304 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.085 -8.689 3.609 1.00 1.13 H new ATOM 0 HG3 GLU A 86 2.231 -9.504 4.905 1.00 1.13 H new ATOM 1357 N GLU A 87 0.587 -10.303 -0.117 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.416 -10.847 -1.020 1.00 0.15 C ATOM 1359 C GLU A 87 0.228 -11.465 -2.257 1.00 0.14 C ATOM 1360 O GLU A 87 -0.099 -12.586 -2.632 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.410 -9.758 -1.432 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.610 -9.643 -0.501 1.00 0.24 C ATOM 1363 CD GLU A 87 -2.218 -9.377 0.941 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -1.753 -10.319 1.613 1.00 1.06 O ATOM 1365 OE2 GLU A 87 -2.371 -8.223 1.394 1.00 1.83 O ATOM 0 H GLU A 87 0.657 -9.285 -0.123 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.951 -11.634 -0.488 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.893 -8.799 -1.464 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.763 -9.964 -2.442 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -3.258 -8.839 -0.850 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.191 -10.564 -0.550 1.00 0.24 H new ATOM 1372 N ALA A 88 1.154 -10.737 -2.875 1.00 0.18 N ATOM 1373 CA ALA A 88 1.826 -11.220 -4.081 1.00 0.17 C ATOM 1374 C ALA A 88 2.388 -12.624 -3.895 1.00 0.17 C ATOM 1375 O ALA A 88 2.145 -13.506 -4.716 1.00 0.18 O ATOM 1376 CB ALA A 88 2.929 -10.264 -4.502 1.00 0.19 C ATOM 0 H ALA A 88 1.456 -9.814 -2.563 1.00 0.18 H new ATOM 0 HA ALA A 88 1.076 -11.265 -4.871 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.415 -10.643 -5.401 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.501 -9.283 -4.707 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.663 -10.180 -3.701 1.00 0.19 H new ATOM 1382 N ILE A 89 3.148 -12.829 -2.821 1.00 0.20 N ATOM 1383 CA ILE A 89 3.729 -14.140 -2.555 1.00 0.23 C ATOM 1384 C ILE A 89 2.639 -15.200 -2.490 1.00 0.24 C ATOM 1385 O ILE A 89 2.819 -16.324 -2.960 1.00 0.31 O ATOM 1386 CB ILE A 89 4.518 -14.168 -1.230 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.298 -15.483 -1.114 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.567 -13.996 -0.053 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.939 -15.701 0.241 1.00 1.52 C ATOM 0 H ILE A 89 3.373 -12.113 -2.130 1.00 0.20 H new ATOM 0 HA ILE A 89 4.416 -14.350 -3.375 1.00 0.23 H new ATOM 0 HB ILE A 89 5.230 -13.343 -1.218 1.00 0.28 H new ATOM 0 HG12 ILE A 89 4.624 -16.313 -1.323 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.074 -15.502 -1.879 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.133 -14.017 0.878 1.00 0.60 H new ATOM 0 HG22 ILE A 89 3.048 -13.041 -0.141 1.00 0.60 H new ATOM 0 HG23 ILE A 89 2.838 -14.806 -0.053 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.472 -16.652 0.243 1.00 1.52 H new ATOM 0 HD12 ILE A 89 6.640 -14.892 0.446 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.167 -15.716 1.010 1.00 1.52 H new ATOM 1401 N LYS A 90 1.505 -14.830 -1.902 1.00 0.24 N ATOM 1402 CA LYS A 90 0.388 -15.747 -1.767 1.00 0.29 C ATOM 1403 C LYS A 90 -0.477 -15.737 -3.027 1.00 0.30 C ATOM 1404 O LYS A 90 -1.347 -16.590 -3.203 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.461 -15.379 -0.549 1.00 0.35 C ATOM 1406 CG LYS A 90 0.310 -15.390 0.765 1.00 0.33 C ATOM 1407 CD LYS A 90 0.856 -16.775 1.092 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.261 -17.790 1.291 1.00 1.74 C ATOM 1409 NZ LYS A 90 -1.189 -17.393 2.385 1.00 2.42 N ATOM 0 H LYS A 90 1.340 -13.902 -1.513 1.00 0.24 H new ATOM 0 HA LYS A 90 0.789 -16.751 -1.629 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -0.887 -14.387 -0.701 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.295 -16.076 -0.476 1.00 0.35 H new ATOM 0 HG2 LYS A 90 1.134 -14.679 0.708 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.343 -15.057 1.572 1.00 0.33 H new ATOM 0 HD2 LYS A 90 1.510 -17.108 0.286 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.464 -16.722 1.995 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -0.821 -17.899 0.362 1.00 1.74 H new ATOM 0 HE3 LYS A 90 0.171 -18.764 1.518 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -1.784 -18.205 2.647 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -0.639 -17.085 3.212 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -1.794 -16.611 2.061 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.222 -14.764 -3.900 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.971 -14.628 -5.146 1.00 0.19 C ATOM 1425 C PHE A 91 -0.101 -14.975 -6.350 1.00 0.20 C ATOM 1426 O PHE A 91 -0.459 -14.682 -7.492 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.532 -13.209 -5.281 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.886 -13.048 -4.647 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.038 -13.415 -5.326 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.006 -12.523 -3.369 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.281 -13.262 -4.743 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.246 -12.369 -2.781 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.392 -12.759 -3.479 1.00 0.43 C ATOM 0 H PHE A 91 0.500 -14.056 -3.766 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.803 -15.331 -5.118 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.837 -12.505 -4.824 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.599 -12.950 -6.338 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -3.963 -13.825 -6.322 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.119 -12.231 -2.827 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -6.169 -13.542 -5.290 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.329 -11.950 -1.789 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.364 -12.663 -3.019 1.00 0.43 H new ATOM 1443 N SER A 92 1.038 -15.612 -6.081 1.00 0.20 N ATOM 1444 CA SER A 92 1.972 -16.010 -7.132 1.00 0.23 C ATOM 1445 C SER A 92 2.213 -14.865 -8.112 1.00 0.27 C ATOM 1446 O SER A 92 1.745 -14.900 -9.250 1.00 0.61 O ATOM 1447 CB SER A 92 1.444 -17.236 -7.879 1.00 0.24 C ATOM 1448 OG SER A 92 1.303 -18.344 -7.007 1.00 0.25 O ATOM 0 H SER A 92 1.337 -15.864 -5.139 1.00 0.20 H new ATOM 0 HA SER A 92 2.921 -16.264 -6.660 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.481 -17.002 -8.333 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.125 -17.492 -8.690 1.00 0.24 H new ATOM 0 HG SER A 92 0.962 -19.114 -7.509 1.00 0.25 H new ATOM 1454 N GLU A 93 2.941 -13.850 -7.659 1.00 0.20 N ATOM 1455 CA GLU A 93 3.238 -12.691 -8.491 1.00 0.18 C ATOM 1456 C GLU A 93 4.594 -12.090 -8.132 1.00 0.18 C ATOM 1457 O GLU A 93 4.692 -11.232 -7.254 1.00 0.19 O ATOM 1458 CB GLU A 93 2.136 -11.640 -8.334 1.00 0.19 C ATOM 1459 CG GLU A 93 0.889 -11.940 -9.149 1.00 0.27 C ATOM 1460 CD GLU A 93 1.155 -11.947 -10.642 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.132 -10.860 -11.255 1.00 1.46 O ATOM 1462 OE2 GLU A 93 1.386 -13.042 -11.199 1.00 0.96 O ATOM 0 H GLU A 93 3.336 -13.807 -6.720 1.00 0.20 H new ATOM 0 HA GLU A 93 3.278 -13.017 -9.530 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.863 -11.566 -7.281 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.528 -10.667 -8.630 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.489 -12.909 -8.851 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.125 -11.196 -8.923 1.00 0.27 H new ATOM 1469 N GLU A 94 5.639 -12.553 -8.815 1.00 0.21 N ATOM 1470 CA GLU A 94 6.991 -12.066 -8.569 1.00 0.24 C ATOM 1471 C GLU A 94 7.275 -10.796 -9.370 1.00 0.25 C ATOM 1472 O GLU A 94 7.857 -9.842 -8.852 1.00 0.31 O ATOM 1473 CB GLU A 94 8.016 -13.149 -8.917 1.00 0.28 C ATOM 1474 CG GLU A 94 8.003 -13.561 -10.380 1.00 0.33 C ATOM 1475 CD GLU A 94 9.006 -14.657 -10.685 1.00 0.92 C ATOM 1476 OE1 GLU A 94 10.216 -14.352 -10.750 1.00 1.53 O ATOM 1477 OE2 GLU A 94 8.581 -15.818 -10.864 1.00 1.46 O ATOM 0 H GLU A 94 5.573 -13.265 -9.543 1.00 0.21 H new ATOM 0 HA GLU A 94 7.074 -11.824 -7.509 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.012 -12.789 -8.660 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.826 -14.027 -8.300 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.004 -13.903 -10.649 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.220 -12.692 -11.001 1.00 0.33 H new ATOM 1484 N GLN A 95 6.863 -10.793 -10.634 1.00 0.25 N ATOM 1485 CA GLN A 95 7.070 -9.641 -11.507 1.00 0.28 C ATOM 1486 C GLN A 95 6.400 -8.399 -10.935 1.00 0.23 C ATOM 1487 O GLN A 95 6.969 -7.306 -10.957 1.00 0.20 O ATOM 1488 CB GLN A 95 6.522 -9.935 -12.907 1.00 0.33 C ATOM 1489 CG GLN A 95 6.265 -8.691 -13.744 1.00 0.73 C ATOM 1490 CD GLN A 95 5.830 -9.022 -15.160 1.00 0.78 C ATOM 1491 OE1 GLN A 95 6.657 -9.157 -16.060 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.524 -9.153 -15.361 1.00 1.03 N ATOM 0 H GLN A 95 6.383 -11.576 -11.078 1.00 0.25 H new ATOM 0 HA GLN A 95 8.141 -9.453 -11.575 1.00 0.28 H new ATOM 0 HB2 GLN A 95 7.228 -10.576 -13.435 1.00 0.33 H new ATOM 0 HB3 GLN A 95 5.592 -10.495 -12.812 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.496 -8.086 -13.263 1.00 0.73 H new ATOM 0 HG3 GLN A 95 7.171 -8.086 -13.778 1.00 0.73 H new ATOM 0 HE21 GLN A 95 3.874 -9.032 -14.584 1.00 1.03 H new ATOM 0 HE22 GLN A 95 4.171 -9.374 -16.292 1.00 1.03 H new ATOM 1501 N ARG A 96 5.192 -8.575 -10.422 1.00 0.25 N ATOM 1502 CA ARG A 96 4.432 -7.475 -9.846 1.00 0.22 C ATOM 1503 C ARG A 96 5.208 -6.794 -8.728 1.00 0.20 C ATOM 1504 O ARG A 96 5.021 -5.606 -8.462 1.00 0.26 O ATOM 1505 CB ARG A 96 3.101 -7.991 -9.303 1.00 0.25 C ATOM 1506 CG ARG A 96 1.887 -7.422 -10.014 1.00 0.95 C ATOM 1507 CD ARG A 96 1.569 -6.014 -9.543 1.00 0.63 C ATOM 1508 NE ARG A 96 2.638 -5.063 -9.840 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.427 -3.803 -10.212 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.191 -3.353 -10.381 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.454 -2.994 -10.426 1.00 2.99 N ATOM 0 H ARG A 96 4.714 -9.475 -10.393 1.00 0.25 H new ATOM 0 HA ARG A 96 4.250 -6.743 -10.633 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.082 -9.078 -9.386 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.035 -7.751 -8.242 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.065 -7.414 -11.089 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.027 -8.068 -9.838 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.647 -5.677 -10.017 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.389 -6.027 -8.468 1.00 0.63 H new ATOM 0 HE ARG A 96 3.603 -5.384 -9.757 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.397 -3.974 -10.226 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.035 -2.386 -10.666 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.407 -3.337 -10.306 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.292 -2.028 -10.711 1.00 2.99 H new ATOM 1525 N PHE A 97 6.083 -7.548 -8.081 1.00 0.27 N ATOM 1526 CA PHE A 97 6.867 -7.013 -6.983 1.00 0.31 C ATOM 1527 C PHE A 97 7.952 -6.075 -7.483 1.00 0.25 C ATOM 1528 O PHE A 97 8.018 -4.919 -7.067 1.00 0.22 O ATOM 1529 CB PHE A 97 7.483 -8.153 -6.169 1.00 0.45 C ATOM 1530 CG PHE A 97 7.848 -7.779 -4.759 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.834 -6.836 -4.517 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.204 -8.359 -3.678 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.171 -6.480 -3.227 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.538 -8.008 -2.384 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.521 -7.105 -2.148 1.00 0.67 C ATOM 0 H PHE A 97 6.266 -8.528 -8.297 1.00 0.27 H new ATOM 0 HA PHE A 97 6.199 -6.438 -6.341 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.780 -8.985 -6.141 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.377 -8.508 -6.681 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.345 -6.374 -5.348 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.432 -9.094 -3.849 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.926 -5.729 -3.048 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.012 -8.457 -1.554 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.804 -6.866 -1.134 1.00 0.67 H new ATOM 1545 N ASN A 98 8.802 -6.567 -8.373 1.00 0.28 N ATOM 1546 CA ASN A 98 9.870 -5.742 -8.908 1.00 0.26 C ATOM 1547 C ASN A 98 9.295 -4.631 -9.771 1.00 0.21 C ATOM 1548 O ASN A 98 9.947 -3.620 -10.012 1.00 0.21 O ATOM 1549 CB ASN A 98 10.861 -6.584 -9.714 1.00 0.34 C ATOM 1550 CG ASN A 98 10.189 -7.361 -10.828 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.805 -8.516 -10.650 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.046 -6.730 -11.987 1.00 1.22 N ATOM 0 H ASN A 98 8.773 -7.520 -8.735 1.00 0.28 H new ATOM 0 HA ASN A 98 10.407 -5.295 -8.071 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.625 -5.933 -10.139 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.370 -7.279 -9.046 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.603 -7.204 -12.774 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.379 -5.772 -12.090 1.00 1.22 H new ATOM 1559 N ASN A 99 8.060 -4.814 -10.227 1.00 0.18 N ATOM 1560 CA ASN A 99 7.424 -3.811 -11.062 1.00 0.20 C ATOM 1561 C ASN A 99 6.922 -2.645 -10.224 1.00 0.19 C ATOM 1562 O ASN A 99 7.231 -1.496 -10.522 1.00 0.24 O ATOM 1563 CB ASN A 99 6.276 -4.421 -11.868 1.00 0.22 C ATOM 1564 CG ASN A 99 5.886 -3.563 -13.057 1.00 0.63 C ATOM 1565 OD1 ASN A 99 4.985 -2.613 -12.833 1.00 1.41 O flip ATOM 1566 ND2 ASN A 99 6.392 -3.748 -14.162 1.00 1.14 N flip ATOM 0 H ASN A 99 7.489 -5.637 -10.034 1.00 0.18 H new ATOM 0 HA ASN A 99 8.172 -3.435 -11.760 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.567 -5.411 -12.218 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.410 -4.554 -11.219 1.00 0.22 H new ATOM 0 HD21 ASN A 99 7.081 -4.489 -14.290 1.00 1.14 H new ATOM 0 HD22 ASN A 99 6.123 -3.160 -14.951 1.00 1.14 H new ATOM 1573 N PHE A 100 6.163 -2.931 -9.171 1.00 0.18 N ATOM 1574 CA PHE A 100 5.648 -1.866 -8.318 1.00 0.23 C ATOM 1575 C PHE A 100 6.803 -1.234 -7.554 1.00 0.18 C ATOM 1576 O PHE A 100 6.840 -0.027 -7.363 1.00 0.21 O ATOM 1577 CB PHE A 100 4.540 -2.416 -7.389 1.00 0.38 C ATOM 1578 CG PHE A 100 4.052 -1.515 -6.269 1.00 1.36 C ATOM 1579 CD1 PHE A 100 4.373 -0.169 -6.191 1.00 1.99 C ATOM 1580 CD2 PHE A 100 3.245 -2.051 -5.278 1.00 2.09 C ATOM 1581 CE1 PHE A 100 3.905 0.615 -5.150 1.00 2.95 C ATOM 1582 CE2 PHE A 100 2.777 -1.274 -4.238 1.00 3.08 C ATOM 1583 CZ PHE A 100 3.108 0.061 -4.175 1.00 3.43 C ATOM 0 H PHE A 100 5.894 -3.874 -8.891 1.00 0.18 H new ATOM 0 HA PHE A 100 5.187 -1.084 -8.921 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.682 -2.678 -8.008 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.905 -3.341 -6.942 1.00 0.38 H new ATOM 0 HD1 PHE A 100 4.997 0.275 -6.953 1.00 1.99 H new ATOM 0 HD2 PHE A 100 2.977 -3.096 -5.320 1.00 2.09 H new ATOM 0 HE1 PHE A 100 4.166 1.662 -5.103 1.00 2.95 H new ATOM 0 HE2 PHE A 100 2.152 -1.713 -3.474 1.00 3.08 H new ATOM 0 HZ PHE A 100 2.743 0.672 -3.362 1.00 3.43 H new ATOM 1593 N LEU A 101 7.786 -2.032 -7.174 1.00 0.18 N ATOM 1594 CA LEU A 101 8.910 -1.496 -6.430 1.00 0.21 C ATOM 1595 C LEU A 101 9.791 -0.621 -7.301 1.00 0.20 C ATOM 1596 O LEU A 101 10.125 0.497 -6.914 1.00 0.21 O ATOM 1597 CB LEU A 101 9.743 -2.613 -5.808 1.00 0.28 C ATOM 1598 CG LEU A 101 10.779 -2.189 -4.748 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.439 -0.841 -4.115 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.851 -3.270 -3.685 1.00 0.92 C ATOM 0 H LEU A 101 7.829 -3.033 -7.364 1.00 0.18 H new ATOM 0 HA LEU A 101 8.497 -0.880 -5.632 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.063 -3.332 -5.352 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.268 -3.134 -6.609 1.00 0.28 H new ATOM 0 HG LEU A 101 11.746 -2.069 -5.236 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.197 -0.585 -3.375 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.412 -0.073 -4.888 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.465 -0.902 -3.630 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.580 -2.986 -2.926 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.872 -3.390 -3.221 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.153 -4.212 -4.144 1.00 0.92 H new ATOM 1612 N LYS A 102 10.159 -1.103 -8.483 1.00 0.20 N ATOM 1613 CA LYS A 102 11.026 -0.318 -9.340 1.00 0.23 C ATOM 1614 C LYS A 102 10.264 0.821 -9.995 1.00 0.22 C ATOM 1615 O LYS A 102 10.859 1.822 -10.387 1.00 0.26 O ATOM 1616 CB LYS A 102 11.706 -1.193 -10.395 1.00 0.27 C ATOM 1617 CG LYS A 102 12.555 -2.326 -9.821 1.00 0.28 C ATOM 1618 CD LYS A 102 13.489 -1.860 -8.706 1.00 0.33 C ATOM 1619 CE LYS A 102 14.334 -0.669 -9.129 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.575 -0.553 -8.314 1.00 2.40 N ATOM 0 H LYS A 102 9.878 -2.009 -8.858 1.00 0.20 H new ATOM 0 HA LYS A 102 11.804 0.114 -8.711 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.941 -1.621 -11.043 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.338 -0.562 -11.021 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.899 -3.107 -9.436 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.146 -2.772 -10.621 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.900 -1.593 -7.828 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.142 -2.682 -8.414 1.00 0.33 H new ATOM 0 HE2 LYS A 102 14.599 -0.767 -10.182 1.00 1.44 H new ATOM 0 HE3 LYS A 102 13.748 0.245 -9.031 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.721 0.440 -8.043 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.484 -1.136 -7.458 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 16.389 -0.882 -8.872 1.00 2.40 H new ATOM 1634 N ALA A 103 8.946 0.677 -10.103 1.00 0.19 N ATOM 1635 CA ALA A 103 8.130 1.721 -10.705 1.00 0.21 C ATOM 1636 C ALA A 103 7.793 2.787 -9.682 1.00 0.18 C ATOM 1637 O ALA A 103 7.853 3.985 -9.976 1.00 0.20 O ATOM 1638 CB ALA A 103 6.864 1.149 -11.323 1.00 0.24 C ATOM 0 H ALA A 103 8.428 -0.142 -9.785 1.00 0.19 H new ATOM 0 HA ALA A 103 8.710 2.179 -11.506 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.278 1.955 -11.764 1.00 0.24 H new ATOM 0 HB2 ALA A 103 7.130 0.429 -12.097 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.275 0.652 -10.552 1.00 0.24 H new ATOM 1644 N LEU A 104 7.450 2.364 -8.472 1.00 0.16 N ATOM 1645 CA LEU A 104 7.130 3.317 -7.434 1.00 0.16 C ATOM 1646 C LEU A 104 8.386 4.107 -7.118 1.00 0.16 C ATOM 1647 O LEU A 104 8.358 5.331 -7.006 1.00 0.16 O ATOM 1648 CB LEU A 104 6.604 2.616 -6.167 1.00 0.19 C ATOM 1649 CG LEU A 104 7.669 1.931 -5.291 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.327 2.929 -4.357 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.064 0.793 -4.486 1.00 0.24 C ATOM 0 H LEU A 104 7.389 1.384 -8.195 1.00 0.16 H new ATOM 0 HA LEU A 104 6.339 3.981 -7.783 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.078 3.352 -5.559 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.870 1.868 -6.466 1.00 0.19 H new ATOM 0 HG LEU A 104 8.428 1.522 -5.958 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.075 2.420 -3.749 1.00 0.23 H new ATOM 0 HD12 LEU A 104 8.807 3.713 -4.942 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.572 3.372 -3.707 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.838 0.327 -3.876 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.278 1.183 -3.839 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.641 0.052 -5.164 1.00 0.24 H new ATOM 1663 N GLN A 105 9.499 3.379 -7.011 1.00 0.18 N ATOM 1664 CA GLN A 105 10.783 3.970 -6.687 1.00 0.22 C ATOM 1665 C GLN A 105 11.253 4.898 -7.794 1.00 0.24 C ATOM 1666 O GLN A 105 11.549 6.066 -7.542 1.00 0.26 O ATOM 1667 CB GLN A 105 11.795 2.862 -6.407 1.00 0.27 C ATOM 1668 CG GLN A 105 13.239 3.236 -6.660 1.00 0.35 C ATOM 1669 CD GLN A 105 14.126 2.031 -6.897 1.00 1.13 C ATOM 1670 OE1 GLN A 105 15.187 2.221 -7.673 1.00 1.76 O flip ATOM 1671 NE2 GLN A 105 13.866 0.941 -6.385 1.00 1.92 N flip ATOM 0 H GLN A 105 9.528 2.369 -7.147 1.00 0.18 H new ATOM 0 HA GLN A 105 10.682 4.580 -5.789 1.00 0.22 H new ATOM 0 HB2 GLN A 105 11.693 2.551 -5.367 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.546 1.998 -7.024 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.292 3.896 -7.526 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.619 3.798 -5.807 1.00 0.35 H new ATOM 0 HE21 GLN A 105 13.040 0.839 -5.795 1.00 1.92 H new ATOM 0 HE22 GLN A 105 14.477 0.141 -6.551 1.00 1.92 H new ATOM 1680 N GLU A 106 11.326 4.394 -9.021 1.00 0.25 N ATOM 1681 CA GLU A 106 11.743 5.242 -10.121 1.00 0.29 C ATOM 1682 C GLU A 106 10.908 6.510 -10.084 1.00 0.29 C ATOM 1683 O GLU A 106 11.408 7.605 -10.326 1.00 0.35 O ATOM 1684 CB GLU A 106 11.577 4.540 -11.466 1.00 0.31 C ATOM 1685 CG GLU A 106 10.133 4.267 -11.814 1.00 0.29 C ATOM 1686 CD GLU A 106 9.966 3.639 -13.184 1.00 0.33 C ATOM 1687 OE1 GLU A 106 10.120 2.404 -13.293 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.683 4.382 -14.148 1.00 0.41 O ATOM 0 H GLU A 106 11.108 3.430 -9.271 1.00 0.25 H new ATOM 0 HA GLU A 106 12.802 5.477 -10.011 1.00 0.29 H new ATOM 0 HB2 GLU A 106 12.024 5.154 -12.248 1.00 0.31 H new ATOM 0 HB3 GLU A 106 12.125 3.598 -11.448 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.702 3.606 -11.062 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.573 5.201 -11.777 1.00 0.29 H new ATOM 1695 N LYS A 107 9.633 6.354 -9.731 1.00 0.23 N ATOM 1696 CA LYS A 107 8.732 7.487 -9.650 1.00 0.23 C ATOM 1697 C LYS A 107 9.157 8.443 -8.534 1.00 0.24 C ATOM 1698 O LYS A 107 9.082 9.661 -8.695 1.00 0.30 O ATOM 1699 CB LYS A 107 7.300 6.992 -9.423 1.00 0.22 C ATOM 1700 CG LYS A 107 6.318 8.077 -9.010 1.00 0.62 C ATOM 1701 CD LYS A 107 5.552 7.683 -7.755 1.00 1.05 C ATOM 1702 CE LYS A 107 4.754 6.406 -7.970 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.070 5.960 -6.726 1.00 2.14 N ATOM 0 H LYS A 107 9.208 5.456 -9.499 1.00 0.23 H new ATOM 0 HA LYS A 107 8.773 8.036 -10.591 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.941 6.524 -10.339 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.313 6.219 -8.654 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.856 9.008 -8.833 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.616 8.264 -9.823 1.00 0.62 H new ATOM 0 HD2 LYS A 107 6.250 7.543 -6.930 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.879 8.491 -7.469 1.00 1.05 H new ATOM 0 HE2 LYS A 107 4.013 6.569 -8.753 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.420 5.617 -8.320 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 3.608 5.043 -6.893 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 4.769 5.861 -5.962 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 3.355 6.663 -6.452 1.00 2.14 H new ATOM 1717 N VAL A 108 9.600 7.892 -7.398 1.00 0.22 N ATOM 1718 CA VAL A 108 10.038 8.727 -6.277 1.00 0.26 C ATOM 1719 C VAL A 108 11.228 9.594 -6.682 1.00 0.33 C ATOM 1720 O VAL A 108 11.345 10.740 -6.248 1.00 0.40 O ATOM 1721 CB VAL A 108 10.412 7.895 -5.019 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.472 6.725 -4.834 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.858 7.425 -5.063 1.00 0.28 C ATOM 0 H VAL A 108 9.664 6.887 -7.233 1.00 0.22 H new ATOM 0 HA VAL A 108 9.189 9.360 -6.017 1.00 0.26 H new ATOM 0 HB VAL A 108 10.306 8.554 -4.157 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.761 6.163 -3.946 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.453 7.092 -4.716 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.524 6.075 -5.707 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.080 6.847 -4.166 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.011 6.801 -5.944 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.520 8.289 -5.111 1.00 0.28 H new ATOM 1733 N GLU A 109 12.109 9.044 -7.518 1.00 0.38 N ATOM 1734 CA GLU A 109 13.283 9.791 -7.975 1.00 0.48 C ATOM 1735 C GLU A 109 12.882 10.842 -9.003 1.00 0.45 C ATOM 1736 O GLU A 109 13.391 11.963 -8.992 1.00 0.45 O ATOM 1737 CB GLU A 109 14.339 8.858 -8.585 1.00 0.62 C ATOM 1738 CG GLU A 109 14.047 7.380 -8.401 1.00 1.29 C ATOM 1739 CD GLU A 109 15.191 6.499 -8.862 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.229 6.463 -8.167 1.00 2.41 O ATOM 1741 OE2 GLU A 109 15.051 5.846 -9.918 1.00 1.75 O ATOM 0 H GLU A 109 12.035 8.097 -7.889 1.00 0.38 H new ATOM 0 HA GLU A 109 13.716 10.282 -7.103 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.422 9.070 -9.651 1.00 0.62 H new ATOM 0 HB3 GLU A 109 15.308 9.083 -8.139 1.00 0.62 H new ATOM 0 HG2 GLU A 109 13.842 7.182 -7.349 1.00 1.29 H new ATOM 0 HG3 GLU A 109 13.146 7.119 -8.956 1.00 1.29 H new ATOM 1748 N ILE A 110 11.968 10.466 -9.890 1.00 0.44 N ATOM 1749 CA ILE A 110 11.493 11.365 -10.933 1.00 0.42 C ATOM 1750 C ILE A 110 10.704 12.537 -10.350 1.00 0.39 C ATOM 1751 O ILE A 110 10.750 13.648 -10.879 1.00 0.45 O ATOM 1752 CB ILE A 110 10.613 10.610 -11.959 1.00 0.42 C ATOM 1753 CG1 ILE A 110 11.476 9.993 -13.062 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.564 11.531 -12.574 1.00 0.42 C ATOM 1755 CD1 ILE A 110 12.444 8.942 -12.573 1.00 0.55 C ATOM 0 H ILE A 110 11.540 9.540 -9.907 1.00 0.44 H new ATOM 0 HA ILE A 110 12.375 11.758 -11.439 1.00 0.42 H new ATOM 0 HB ILE A 110 10.098 9.812 -11.424 1.00 0.42 H new ATOM 0 HG12 ILE A 110 10.823 9.549 -13.813 1.00 0.51 H new ATOM 0 HG13 ILE A 110 12.037 10.786 -13.556 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.963 10.971 -13.290 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.919 11.924 -11.788 1.00 0.42 H new ATOM 0 HG23 ILE A 110 10.059 12.357 -13.084 1.00 0.42 H new ATOM 0 HD11 ILE A 110 13.017 8.555 -13.416 1.00 0.55 H new ATOM 0 HD12 ILE A 110 13.123 9.384 -11.844 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.891 8.127 -12.106 1.00 0.55 H new ATOM 1767 N LYS A 111 9.992 12.293 -9.254 1.00 0.36 N ATOM 1768 CA LYS A 111 9.177 13.335 -8.640 1.00 0.37 C ATOM 1769 C LYS A 111 9.681 13.760 -7.261 1.00 0.40 C ATOM 1770 O LYS A 111 10.789 13.418 -6.845 1.00 0.48 O ATOM 1771 CB LYS A 111 7.724 12.877 -8.543 1.00 0.39 C ATOM 1772 CG LYS A 111 6.913 13.161 -9.796 1.00 0.51 C ATOM 1773 CD LYS A 111 5.421 13.085 -9.519 1.00 0.65 C ATOM 1774 CE LYS A 111 4.977 11.658 -9.239 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.501 11.556 -9.065 1.00 1.28 N ATOM 0 H LYS A 111 9.963 11.392 -8.777 1.00 0.36 H new ATOM 0 HA LYS A 111 9.252 14.209 -9.287 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.702 11.806 -8.341 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.252 13.372 -7.694 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.164 14.151 -10.177 1.00 0.51 H new ATOM 0 HG3 LYS A 111 7.177 12.444 -10.573 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.176 13.717 -8.666 1.00 0.65 H new ATOM 0 HD3 LYS A 111 4.871 13.477 -10.374 1.00 0.65 H new ATOM 0 HE2 LYS A 111 5.291 11.013 -10.060 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.474 11.294 -8.340 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.241 10.567 -8.876 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.204 12.151 -8.265 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 3.026 11.879 -9.932 1.00 1.28 H new ATOM 1789 N GLN A 112 8.832 14.514 -6.570 1.00 0.43 N ATOM 1790 CA GLN A 112 9.129 15.050 -5.243 1.00 0.56 C ATOM 1791 C GLN A 112 8.780 14.086 -4.137 1.00 0.65 C ATOM 1792 O GLN A 112 8.111 14.458 -3.173 1.00 1.51 O ATOM 1793 CB GLN A 112 8.314 16.314 -5.034 1.00 0.66 C ATOM 1794 CG GLN A 112 8.923 17.559 -5.658 1.00 0.69 C ATOM 1795 CD GLN A 112 10.290 17.888 -5.092 1.00 1.29 C ATOM 1796 OE1 GLN A 112 10.582 17.592 -3.933 1.00 2.15 O ATOM 1797 NE2 GLN A 112 11.137 18.504 -5.908 1.00 2.03 N ATOM 0 H GLN A 112 7.909 14.774 -6.918 1.00 0.43 H new ATOM 0 HA GLN A 112 10.201 15.242 -5.202 1.00 0.56 H new ATOM 0 HB2 GLN A 112 7.318 16.163 -5.450 1.00 0.66 H new ATOM 0 HB3 GLN A 112 8.191 16.481 -3.964 1.00 0.66 H new ATOM 0 HG2 GLN A 112 9.005 17.417 -6.736 1.00 0.69 H new ATOM 0 HG3 GLN A 112 8.255 18.405 -5.498 1.00 0.69 H new ATOM 0 HE21 GLN A 112 10.853 18.731 -6.861 1.00 2.03 H new ATOM 0 HE22 GLN A 112 12.071 18.751 -5.582 1.00 2.03 H new ATOM 1806 N LEU A 113 9.243 12.863 -4.245 1.00 0.37 N ATOM 1807 CA LEU A 113 8.909 11.879 -3.247 1.00 0.29 C ATOM 1808 C LEU A 113 10.131 11.118 -2.768 1.00 0.30 C ATOM 1809 O LEU A 113 10.080 9.909 -2.550 1.00 0.44 O ATOM 1810 CB LEU A 113 7.846 10.948 -3.812 1.00 0.24 C ATOM 1811 CG LEU A 113 6.521 11.639 -4.158 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.993 12.416 -2.963 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.650 12.537 -5.380 1.00 0.36 C ATOM 0 H LEU A 113 9.842 12.531 -5.001 1.00 0.37 H new ATOM 0 HA LEU A 113 8.511 12.385 -2.367 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.238 10.470 -4.710 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.651 10.156 -3.089 1.00 0.24 H new ATOM 0 HG LEU A 113 5.801 10.860 -4.408 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.053 12.899 -3.229 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.827 11.733 -2.130 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.720 13.174 -2.672 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.689 13.006 -5.590 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.396 13.308 -5.188 1.00 0.36 H new ATOM 0 HD23 LEU A 113 6.958 11.941 -6.239 1.00 0.36 H new ATOM 1825 N ASN A 114 11.229 11.842 -2.589 1.00 0.19 N ATOM 1826 CA ASN A 114 12.457 11.238 -2.108 1.00 0.18 C ATOM 1827 C ASN A 114 12.282 10.823 -0.654 1.00 0.16 C ATOM 1828 O ASN A 114 12.782 9.782 -0.234 1.00 0.18 O ATOM 1829 CB ASN A 114 13.634 12.207 -2.239 1.00 0.20 C ATOM 1830 CG ASN A 114 14.010 12.495 -3.683 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.027 12.475 -4.576 1.00 1.10 O flip ATOM 1832 ND2 ASN A 114 15.178 12.735 -3.992 1.00 1.22 N flip ATOM 0 H ASN A 114 11.291 12.844 -2.770 1.00 0.19 H new ATOM 0 HA ASN A 114 12.674 10.360 -2.716 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.383 13.144 -1.741 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.498 11.792 -1.720 1.00 0.20 H new ATOM 0 HD21 ASN A 114 15.904 12.741 -3.276 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.419 12.928 -4.964 1.00 1.22 H new ATOM 1839 N HIS A 115 11.564 11.651 0.107 1.00 0.16 N ATOM 1840 CA HIS A 115 11.299 11.366 1.514 1.00 0.14 C ATOM 1841 C HIS A 115 10.684 9.984 1.640 1.00 0.13 C ATOM 1842 O HIS A 115 11.051 9.193 2.515 1.00 0.12 O ATOM 1843 CB HIS A 115 10.354 12.411 2.104 1.00 0.15 C ATOM 1844 CG HIS A 115 10.693 13.818 1.719 1.00 0.28 C ATOM 1845 ND1 HIS A 115 9.899 14.582 0.891 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.747 14.601 2.053 1.00 0.92 C ATOM 1847 CE1 HIS A 115 10.448 15.772 0.731 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.570 15.810 1.426 1.00 0.51 N ATOM 0 H HIS A 115 11.157 12.524 -0.229 1.00 0.16 H new ATOM 0 HA HIS A 115 12.238 11.401 2.066 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.337 12.191 1.781 1.00 0.15 H new ATOM 0 HB3 HIS A 115 10.368 12.328 3.191 1.00 0.15 H new ATOM 0 HD2 HIS A 115 12.572 14.326 2.693 1.00 0.92 H new ATOM 0 HE1 HIS A 115 10.047 16.577 0.133 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.203 16.608 1.487 1.00 0.51 H new ATOM 1857 N PHE A 116 9.728 9.708 0.766 1.00 0.13 N ATOM 1858 CA PHE A 116 9.084 8.412 0.737 1.00 0.13 C ATOM 1859 C PHE A 116 10.169 7.349 0.630 1.00 0.12 C ATOM 1860 O PHE A 116 10.253 6.435 1.454 1.00 0.16 O ATOM 1861 CB PHE A 116 8.113 8.347 -0.448 1.00 0.15 C ATOM 1862 CG PHE A 116 7.618 6.969 -0.789 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.342 6.060 0.219 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.433 6.577 -2.106 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.891 4.790 -0.076 1.00 0.72 C ATOM 1866 CE2 PHE A 116 6.981 5.307 -2.406 1.00 0.77 C ATOM 1867 CZ PHE A 116 6.697 4.430 -1.446 1.00 0.21 C ATOM 0 H PHE A 116 9.384 10.368 0.068 1.00 0.13 H new ATOM 0 HA PHE A 116 8.506 8.241 1.645 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.254 8.982 -0.230 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.605 8.767 -1.325 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.482 6.349 1.250 1.00 0.73 H new ATOM 0 HD2 PHE A 116 7.645 7.272 -2.905 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.688 4.081 0.713 1.00 0.72 H new ATOM 0 HE2 PHE A 116 6.856 5.020 -3.440 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.321 3.450 -1.701 1.00 0.21 H new ATOM 1877 N TRP A 117 11.026 7.507 -0.374 1.00 0.14 N ATOM 1878 CA TRP A 117 12.133 6.591 -0.575 1.00 0.15 C ATOM 1879 C TRP A 117 12.929 6.452 0.716 1.00 0.15 C ATOM 1880 O TRP A 117 13.349 5.356 1.081 1.00 0.19 O ATOM 1881 CB TRP A 117 13.033 7.085 -1.713 1.00 0.19 C ATOM 1882 CG TRP A 117 14.376 6.417 -1.757 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.560 6.936 -1.323 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.671 5.112 -2.267 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.574 6.034 -1.529 1.00 0.60 N ATOM 1886 CE2 TRP A 117 16.054 4.907 -2.106 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.901 4.096 -2.841 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.684 3.729 -2.500 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.528 2.928 -3.231 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.907 2.753 -3.059 1.00 0.92 C ATOM 0 H TRP A 117 10.971 8.262 -1.058 1.00 0.14 H new ATOM 0 HA TRP A 117 11.740 5.613 -0.851 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.525 6.921 -2.663 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.176 8.161 -1.610 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.682 7.914 -0.882 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.555 6.180 -1.291 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.837 4.222 -2.977 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.747 3.592 -2.369 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.944 2.136 -3.676 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.366 1.828 -3.375 1.00 0.92 H new ATOM 1901 N GLU A 118 13.100 7.573 1.421 1.00 0.14 N ATOM 1902 CA GLU A 118 13.847 7.589 2.676 1.00 0.15 C ATOM 1903 C GLU A 118 13.271 6.596 3.677 1.00 0.14 C ATOM 1904 O GLU A 118 13.987 5.718 4.164 1.00 0.17 O ATOM 1905 CB GLU A 118 13.857 8.992 3.295 1.00 0.17 C ATOM 1906 CG GLU A 118 14.471 10.057 2.402 1.00 0.20 C ATOM 1907 CD GLU A 118 15.886 9.717 1.977 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.823 10.009 2.749 1.00 0.86 O ATOM 1909 OE2 GLU A 118 16.056 9.159 0.874 1.00 0.64 O ATOM 0 H GLU A 118 12.730 8.481 1.142 1.00 0.14 H new ATOM 0 HA GLU A 118 14.871 7.297 2.442 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.833 9.279 3.535 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.407 8.959 4.235 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.850 10.185 1.515 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.473 11.011 2.929 1.00 0.20 H new ATOM 1916 N ILE A 119 11.978 6.722 3.989 1.00 0.11 N ATOM 1917 CA ILE A 119 11.371 5.807 4.951 1.00 0.13 C ATOM 1918 C ILE A 119 11.493 4.367 4.474 1.00 0.14 C ATOM 1919 O ILE A 119 11.668 3.461 5.287 1.00 0.19 O ATOM 1920 CB ILE A 119 9.896 6.139 5.268 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.993 5.885 4.058 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.777 7.577 5.739 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.556 6.316 4.270 1.00 0.14 C ATOM 0 H ILE A 119 11.350 7.427 3.602 1.00 0.11 H new ATOM 0 HA ILE A 119 11.927 5.934 5.880 1.00 0.13 H new ATOM 0 HB ILE A 119 9.562 5.478 6.068 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.398 6.414 3.196 1.00 0.10 H new ATOM 0 HG13 ILE A 119 9.013 4.822 3.818 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.734 7.802 5.960 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.377 7.716 6.638 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.135 8.247 4.957 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.977 6.105 3.371 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.132 5.768 5.112 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.524 7.385 4.480 1.00 0.14 H new ATOM 1935 N VAL A 120 11.415 4.142 3.160 1.00 0.13 N ATOM 1936 CA VAL A 120 11.556 2.780 2.657 1.00 0.20 C ATOM 1937 C VAL A 120 12.965 2.254 2.968 1.00 0.21 C ATOM 1938 O VAL A 120 13.126 1.084 3.305 1.00 0.25 O ATOM 1939 CB VAL A 120 11.241 2.631 1.146 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.525 3.848 0.599 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.492 2.342 0.347 1.00 0.76 C ATOM 0 H VAL A 120 11.261 4.858 2.450 1.00 0.13 H new ATOM 0 HA VAL A 120 10.808 2.180 3.175 1.00 0.20 H new ATOM 0 HB VAL A 120 10.570 1.778 1.044 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.322 3.704 -0.462 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.585 3.987 1.132 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.152 4.730 0.733 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.235 2.243 -0.708 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.201 3.160 0.473 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.942 1.414 0.699 1.00 0.76 H new ATOM 1951 N VAL A 121 13.988 3.117 2.859 1.00 0.20 N ATOM 1952 CA VAL A 121 15.356 2.695 3.180 1.00 0.24 C ATOM 1953 C VAL A 121 15.432 2.366 4.663 1.00 0.26 C ATOM 1954 O VAL A 121 16.134 1.446 5.082 1.00 0.31 O ATOM 1955 CB VAL A 121 16.434 3.762 2.841 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.973 4.686 1.734 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.845 4.558 4.070 1.00 0.26 C ATOM 0 H VAL A 121 13.896 4.087 2.558 1.00 0.20 H new ATOM 0 HA VAL A 121 15.573 1.824 2.562 1.00 0.24 H new ATOM 0 HB VAL A 121 17.312 3.223 2.485 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.752 5.419 1.524 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.770 4.104 0.835 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.064 5.201 2.045 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.600 5.293 3.792 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.974 5.069 4.480 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.256 3.883 4.820 1.00 0.26 H new ATOM 1967 N GLN A 122 14.692 3.145 5.444 1.00 0.25 N ATOM 1968 CA GLN A 122 14.633 2.973 6.886 1.00 0.30 C ATOM 1969 C GLN A 122 13.763 1.774 7.243 1.00 0.35 C ATOM 1970 O GLN A 122 13.848 1.234 8.347 1.00 0.44 O ATOM 1971 CB GLN A 122 14.069 4.237 7.523 1.00 0.29 C ATOM 1972 CG GLN A 122 14.364 4.347 9.001 1.00 0.44 C ATOM 1973 CD GLN A 122 15.797 4.754 9.284 1.00 1.27 C ATOM 1974 OE1 GLN A 122 16.680 3.906 9.418 1.00 1.92 O ATOM 1975 NE2 GLN A 122 16.036 6.056 9.379 1.00 2.12 N ATOM 0 H GLN A 122 14.118 3.912 5.093 1.00 0.25 H new ATOM 0 HA GLN A 122 15.639 2.793 7.266 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.481 5.107 7.012 1.00 0.29 H new ATOM 0 HB3 GLN A 122 12.990 4.260 7.373 1.00 0.29 H new ATOM 0 HG2 GLN A 122 13.689 5.076 9.449 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.162 3.389 9.480 1.00 0.44 H new ATOM 0 HE21 GLN A 122 15.274 6.724 9.261 1.00 2.12 H new ATOM 0 HE22 GLN A 122 16.981 6.388 9.570 1.00 2.12 H new ATOM 1984 N ASP A 123 12.929 1.366 6.293 1.00 0.31 N ATOM 1985 CA ASP A 123 12.032 0.234 6.485 1.00 0.37 C ATOM 1986 C ASP A 123 12.470 -0.970 5.656 1.00 0.40 C ATOM 1987 O ASP A 123 11.862 -2.038 5.734 1.00 0.45 O ATOM 1988 CB ASP A 123 10.606 0.632 6.096 1.00 0.35 C ATOM 1989 CG ASP A 123 9.930 1.476 7.159 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.475 0.902 8.171 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.855 2.710 6.983 1.00 0.71 O ATOM 0 H ASP A 123 12.856 1.807 5.376 1.00 0.31 H new ATOM 0 HA ASP A 123 12.065 -0.047 7.538 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.630 1.186 5.157 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.016 -0.267 5.921 1.00 0.35 H new ATOM 1996 N GLY A 124 13.530 -0.797 4.868 1.00 0.38 N ATOM 1997 CA GLY A 124 14.007 -1.880 4.027 1.00 0.43 C ATOM 1998 C GLY A 124 12.926 -2.355 3.079 1.00 0.44 C ATOM 1999 O GLY A 124 12.552 -3.528 3.085 1.00 0.55 O ATOM 0 H GLY A 124 14.064 0.070 4.798 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.874 -1.546 3.456 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.337 -2.710 4.651 1.00 0.43 H new ATOM 2003 N ILE A 125 12.430 -1.434 2.257 1.00 0.40 N ATOM 2004 CA ILE A 125 11.362 -1.738 1.314 1.00 0.44 C ATOM 2005 C ILE A 125 11.776 -1.443 -0.125 1.00 0.45 C ATOM 2006 O ILE A 125 11.198 -0.577 -0.785 1.00 0.48 O ATOM 2007 CB ILE A 125 10.099 -0.922 1.651 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.793 -1.003 3.150 1.00 0.58 C ATOM 2009 CG2 ILE A 125 8.913 -1.405 0.838 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.561 -2.413 3.651 1.00 0.49 C ATOM 0 H ILE A 125 12.754 -0.467 2.227 1.00 0.40 H new ATOM 0 HA ILE A 125 11.151 -2.804 1.402 1.00 0.44 H new ATOM 0 HB ILE A 125 10.286 0.120 1.392 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.621 -0.562 3.705 1.00 0.58 H new ATOM 0 HG13 ILE A 125 8.910 -0.401 3.364 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.033 -0.815 1.092 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.130 -1.293 -0.224 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.723 -2.455 1.061 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.350 -2.389 4.720 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.714 -2.852 3.124 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.452 -3.015 3.470 1.00 0.49 H new ATOM 2022 N THR A 126 12.788 -2.153 -0.603 1.00 0.45 N ATOM 2023 CA THR A 126 13.267 -1.971 -1.966 1.00 0.47 C ATOM 2024 C THR A 126 13.704 -3.301 -2.574 1.00 0.48 C ATOM 2025 O THR A 126 13.843 -4.295 -1.858 1.00 0.57 O ATOM 2026 CB THR A 126 14.430 -0.966 -2.026 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.109 0.204 -1.264 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.734 -0.569 -3.461 1.00 0.53 C ATOM 0 H THR A 126 13.293 -2.860 -0.068 1.00 0.45 H new ATOM 0 HA THR A 126 12.436 -1.571 -2.547 1.00 0.47 H new ATOM 0 HB THR A 126 15.313 -1.446 -1.604 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.212 1.000 -1.827 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.560 0.142 -3.475 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.009 -1.455 -4.033 1.00 0.53 H new ATOM 0 HG23 THR A 126 13.852 -0.109 -3.906 1.00 0.53 H new ATOM 2036 N LEU A 127 13.934 -3.300 -3.893 1.00 0.47 N ATOM 2037 CA LEU A 127 14.372 -4.484 -4.648 1.00 0.48 C ATOM 2038 C LEU A 127 13.705 -5.771 -4.163 1.00 0.46 C ATOM 2039 O LEU A 127 12.778 -5.746 -3.352 1.00 0.52 O ATOM 2040 CB LEU A 127 15.912 -4.637 -4.645 1.00 0.52 C ATOM 2041 CG LEU A 127 16.609 -4.800 -3.285 1.00 0.66 C ATOM 2042 CD1 LEU A 127 18.020 -5.334 -3.462 1.00 1.29 C ATOM 2043 CD2 LEU A 127 16.607 -3.497 -2.528 1.00 1.19 C ATOM 0 H LEU A 127 13.820 -2.469 -4.474 1.00 0.47 H new ATOM 0 HA LEU A 127 14.050 -4.316 -5.676 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.165 -5.502 -5.258 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.337 -3.763 -5.138 1.00 0.52 H new ATOM 0 HG LEU A 127 16.051 -5.529 -2.697 1.00 0.66 H new ATOM 0 HD11 LEU A 127 18.494 -5.441 -2.486 1.00 1.29 H new ATOM 0 HD12 LEU A 127 17.982 -6.305 -3.956 1.00 1.29 H new ATOM 0 HD13 LEU A 127 18.598 -4.639 -4.072 1.00 1.29 H new ATOM 0 HD21 LEU A 127 17.105 -3.633 -1.568 1.00 1.19 H new ATOM 0 HD22 LEU A 127 17.135 -2.739 -3.107 1.00 1.19 H new ATOM 0 HD23 LEU A 127 15.579 -3.175 -2.361 1.00 1.19 H new