USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot -147:sc= 1.03 USER MOD Set 1.2: A 102 GLN : amide:sc= -5.36! C(o=-4.3!,f=-6.8!) USER MOD Set 2.1: A 45 HIS :FLIP no HE2:sc= -0.785 F(o=-5.8,f=-4.8) USER MOD Set 2.2: A 61 GLN : amide:sc= -2.25 X(o=-4.8,f=-4.8!) USER MOD Set 2.3: A 124 HIS : no HE2:sc= -1.73 K(o=-4.8,f=-11) USER MOD Set 3.1: A 50 GLN : amide:sc= 0.84 K(o=1.2,f=-0.12) USER MOD Set 3.2: A 56 THR OG1 : rot 150:sc= 0.385 USER MOD Set 4.1: A 49 GLN : amide:sc= 0.289 K(o=-3.8,f=-6.9!) USER MOD Set 4.2: A 59 THR OG1 : rot -125:sc= 1.03 USER MOD Set 4.3: A 97 GLN : amide:sc= -5.14! C(o=-3.8!,f=-7.4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.069 X(o=-0.069,f=-0.55) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 64:sc= 0.458 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc=-0.00113 (180deg=-0.245) USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= -0.136 (180deg=-0.816) USER MOD Single : A 71 LYS NZ :NH3+ -104:sc= -0.0215 (180deg=-0.603) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.486 (180deg=-0.504) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 0.386 (180deg=-0.0526) USER MOD Single : A 83 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.03) USER MOD Single : A 85 THR OG1 : rot -88:sc= 0.101 USER MOD Single : A 89 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-4.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.111 K(o=-0.11,f=-1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.8!) USER MOD Single : A 107 CYS SG : rot -12:sc= -5.75! USER MOD Single : A 108 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -161:sc= 0.137 (180deg=0.0615) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.97 F(o=-5.4,f=-3) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.924 -12.387 -13.702 1.00 0.00 N ATOM 607 CA ASP A 42 0.426 -12.130 -12.351 1.00 0.00 C ATOM 608 C ASP A 42 0.990 -10.829 -11.788 1.00 0.00 C ATOM 609 O ASP A 42 1.695 -10.830 -10.779 1.00 0.00 O ATOM 610 CB ASP A 42 0.782 -13.296 -11.427 1.00 0.00 C ATOM 611 CG ASP A 42 -0.035 -13.293 -10.150 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.148 -12.726 -10.159 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.439 -13.855 -9.141 1.00 0.00 O ATOM 0 HA ASP A 42 -0.658 -12.032 -12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.622 -14.236 -11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.842 -13.247 -11.177 1.00 0.00 H new ATOM 618 N TYR A 43 0.674 -9.723 -12.447 1.00 0.00 N ATOM 619 CA TYR A 43 1.149 -8.414 -12.015 1.00 0.00 C ATOM 620 C TYR A 43 0.532 -8.023 -10.678 1.00 0.00 C ATOM 621 O TYR A 43 -0.329 -8.725 -10.149 1.00 0.00 O ATOM 622 CB TYR A 43 0.817 -7.355 -13.066 1.00 0.00 C ATOM 623 CG TYR A 43 1.316 -7.686 -14.456 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.506 -8.381 -14.649 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.598 -7.295 -15.579 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.961 -8.676 -15.920 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.049 -7.586 -16.853 1.00 0.00 C ATOM 628 CZ TYR A 43 2.230 -8.275 -17.017 1.00 0.00 C ATOM 629 OH TYR A 43 2.682 -8.566 -18.284 1.00 0.00 O ATOM 0 H TYR A 43 0.090 -9.705 -13.283 1.00 0.00 H new ATOM 0 HA TYR A 43 2.231 -8.473 -11.894 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.264 -7.221 -13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.246 -6.403 -12.755 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.083 -8.695 -13.792 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.329 -6.754 -15.455 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.885 -9.218 -16.053 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.478 -7.275 -17.715 1.00 0.00 H new ATOM 0 HH TYR A 43 2.050 -8.214 -18.946 1.00 0.00 H new ATOM 639 N ILE A 44 0.972 -6.888 -10.143 1.00 0.00 N ATOM 640 CA ILE A 44 0.457 -6.389 -8.874 1.00 0.00 C ATOM 641 C ILE A 44 -0.341 -5.109 -9.095 1.00 0.00 C ATOM 642 O ILE A 44 0.222 -4.016 -9.162 1.00 0.00 O ATOM 643 CB ILE A 44 1.593 -6.125 -7.860 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.350 -7.417 -7.542 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.037 -5.512 -6.581 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.450 -8.600 -7.252 1.00 0.00 C ATOM 0 H ILE A 44 1.685 -6.296 -10.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.194 -7.159 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 44 2.291 -5.419 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.998 -7.663 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.997 -7.245 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.852 -5.333 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.545 -4.568 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.316 -6.196 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.060 -9.477 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.820 -8.375 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.821 -8.800 -8.120 1.00 0.00 H new ATOM 658 N HIS A 45 -1.653 -5.260 -9.225 1.00 0.00 N ATOM 659 CA HIS A 45 -2.538 -4.127 -9.459 1.00 0.00 C ATOM 660 C HIS A 45 -2.415 -3.074 -8.364 1.00 0.00 C ATOM 661 O HIS A 45 -2.337 -3.393 -7.178 1.00 0.00 O ATOM 662 CB HIS A 45 -3.987 -4.606 -9.564 1.00 0.00 C ATOM 663 CG HIS A 45 -4.602 -4.354 -10.905 1.00 0.00 C ATOM 664 ND1 HIS A 45 -5.602 -3.521 -11.278 1.00 0.00 N flip ATOM 665 CD2 HIS A 45 -4.195 -5.000 -12.052 1.00 0.00 C flip ATOM 666 CE1 HIS A 45 -5.778 -3.677 -12.630 1.00 0.00 C flip ATOM 667 NE2 HIS A 45 -4.917 -4.575 -13.074 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.129 -6.161 -9.172 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.238 -3.663 -10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.025 -5.674 -9.350 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.583 -4.107 -8.800 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.127 -2.894 -10.668 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.409 -5.738 -12.107 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.503 -3.151 -13.233 1.00 0.00 H new ATOM 676 N ILE A 46 -2.415 -1.816 -8.784 1.00 0.00 N ATOM 677 CA ILE A 46 -2.320 -0.684 -7.874 1.00 0.00 C ATOM 678 C ILE A 46 -3.204 0.446 -8.375 1.00 0.00 C ATOM 679 O ILE A 46 -2.893 1.095 -9.371 1.00 0.00 O ATOM 680 CB ILE A 46 -0.869 -0.195 -7.737 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.085 -1.209 -6.895 1.00 0.00 C ATOM 682 CG2 ILE A 46 -0.826 1.204 -7.130 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.579 -0.636 -5.662 1.00 0.00 C ATOM 0 H ILE A 46 -2.481 -1.552 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.658 -1.007 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.405 -0.124 -8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.763 -2.005 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.680 -1.666 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.210 1.531 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.371 1.896 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.286 1.186 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.108 -1.428 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.286 0.139 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.179 -0.206 -5.007 1.00 0.00 H new ATOM 695 N ARG A 47 -4.316 0.658 -7.698 1.00 0.00 N ATOM 696 CA ARG A 47 -5.261 1.697 -8.101 1.00 0.00 C ATOM 697 C ARG A 47 -5.610 2.637 -6.953 1.00 0.00 C ATOM 698 O ARG A 47 -5.614 2.244 -5.787 1.00 0.00 O ATOM 699 CB ARG A 47 -6.538 1.057 -8.648 1.00 0.00 C ATOM 700 CG ARG A 47 -7.436 2.032 -9.391 1.00 0.00 C ATOM 701 CD ARG A 47 -8.851 1.493 -9.531 1.00 0.00 C ATOM 702 NE ARG A 47 -9.108 0.971 -10.870 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.326 1.740 -11.935 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.317 3.062 -11.821 1.00 0.00 N ATOM 705 NH2 ARG A 47 -9.553 1.185 -13.118 1.00 0.00 N ATOM 0 H ARG A 47 -4.592 0.131 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.778 2.290 -8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.267 0.242 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.097 0.618 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.459 2.984 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.021 2.229 -10.380 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.012 0.703 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.565 2.286 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.121 -0.041 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.142 3.494 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.485 3.646 -12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.561 0.169 -13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.720 1.774 -13.934 1.00 0.00 H new ATOM 719 N ILE A 48 -5.915 3.883 -7.306 1.00 0.00 N ATOM 720 CA ILE A 48 -6.285 4.898 -6.326 1.00 0.00 C ATOM 721 C ILE A 48 -7.798 5.119 -6.330 1.00 0.00 C ATOM 722 O ILE A 48 -8.475 4.838 -7.319 1.00 0.00 O ATOM 723 CB ILE A 48 -5.572 6.243 -6.615 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.093 6.162 -6.240 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.235 7.392 -5.867 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.326 7.417 -6.589 1.00 0.00 C ATOM 0 H ILE A 48 -5.913 4.215 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.971 4.538 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.656 6.436 -7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.005 5.975 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.640 5.312 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.712 8.322 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.276 7.477 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.193 7.201 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.282 7.298 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.386 7.593 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.756 8.266 -6.058 1.00 0.00 H new ATOM 738 N GLN A 49 -8.318 5.636 -5.222 1.00 0.00 N ATOM 739 CA GLN A 49 -9.745 5.911 -5.100 1.00 0.00 C ATOM 740 C GLN A 49 -9.972 7.221 -4.355 1.00 0.00 C ATOM 741 O GLN A 49 -10.011 7.248 -3.124 1.00 0.00 O ATOM 742 CB GLN A 49 -10.456 4.764 -4.380 1.00 0.00 C ATOM 743 CG GLN A 49 -9.844 4.417 -3.034 1.00 0.00 C ATOM 744 CD GLN A 49 -9.608 2.928 -2.867 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.960 2.294 -3.700 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.133 2.362 -1.787 1.00 0.00 N ATOM 0 H GLN A 49 -7.771 5.873 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.163 6.001 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.503 5.031 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.437 3.880 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.897 4.946 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.501 4.768 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.663 2.926 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.006 1.363 -1.622 1.00 0.00 H new ATOM 755 N GLN A 50 -10.110 8.305 -5.108 1.00 0.00 N ATOM 756 CA GLN A 50 -10.321 9.624 -4.523 1.00 0.00 C ATOM 757 C GLN A 50 -11.807 9.940 -4.395 1.00 0.00 C ATOM 758 O GLN A 50 -12.500 10.134 -5.394 1.00 0.00 O ATOM 759 CB GLN A 50 -9.627 10.692 -5.371 1.00 0.00 C ATOM 760 CG GLN A 50 -8.829 11.693 -4.555 1.00 0.00 C ATOM 761 CD GLN A 50 -8.074 12.684 -5.416 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.559 13.113 -6.463 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.876 13.052 -4.977 1.00 0.00 N ATOM 0 H GLN A 50 -10.080 8.297 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.889 9.623 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.961 10.203 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.378 11.227 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.504 12.235 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.122 11.157 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.514 12.671 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.318 13.716 -5.514 1.00 0.00 H new ATOM 772 N ARG A 51 -12.288 10.000 -3.157 1.00 0.00 N ATOM 773 CA ARG A 51 -13.689 10.302 -2.894 1.00 0.00 C ATOM 774 C ARG A 51 -13.888 11.804 -2.723 1.00 0.00 C ATOM 775 O ARG A 51 -13.207 12.442 -1.921 1.00 0.00 O ATOM 776 CB ARG A 51 -14.168 9.564 -1.644 1.00 0.00 C ATOM 777 CG ARG A 51 -13.869 8.073 -1.667 1.00 0.00 C ATOM 778 CD ARG A 51 -13.791 7.497 -0.263 1.00 0.00 C ATOM 779 NE ARG A 51 -14.983 6.723 0.077 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.260 6.290 1.305 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.434 6.553 2.311 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.365 5.593 1.528 1.00 0.00 N ATOM 0 H ARG A 51 -11.727 9.843 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.278 9.966 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.696 10.007 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.243 9.709 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.644 7.554 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.926 7.898 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.910 6.861 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.668 8.308 0.455 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.641 6.502 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.582 7.089 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.651 6.219 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.003 5.388 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.577 5.261 2.469 1.00 0.00 H new ATOM 796 N ASN A 52 -14.819 12.365 -3.488 1.00 0.00 N ATOM 797 CA ASN A 52 -15.098 13.796 -3.425 1.00 0.00 C ATOM 798 C ASN A 52 -13.893 14.604 -3.897 1.00 0.00 C ATOM 799 O ASN A 52 -13.744 15.776 -3.552 1.00 0.00 O ATOM 800 CB ASN A 52 -15.477 14.207 -2.000 1.00 0.00 C ATOM 801 CG ASN A 52 -16.469 13.252 -1.365 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.297 12.652 -2.049 1.00 0.00 O ATOM 803 ND2 ASN A 52 -16.387 13.105 -0.047 1.00 0.00 N ATOM 0 H ASN A 52 -15.392 11.852 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.938 14.005 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.577 14.252 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.902 15.210 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.027 12.474 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.685 13.623 0.481 1.00 0.00 H new ATOM 810 N GLY A 53 -13.034 13.968 -4.689 1.00 0.00 N ATOM 811 CA GLY A 53 -11.853 14.638 -5.198 1.00 0.00 C ATOM 812 C GLY A 53 -10.917 15.083 -4.094 1.00 0.00 C ATOM 813 O GLY A 53 -10.459 16.226 -4.083 1.00 0.00 O ATOM 0 H GLY A 53 -13.137 12.998 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.321 13.967 -5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.156 15.505 -5.785 1.00 0.00 H new ATOM 817 N ARG A 54 -10.628 14.180 -3.162 1.00 0.00 N ATOM 818 CA ARG A 54 -9.738 14.493 -2.051 1.00 0.00 C ATOM 819 C ARG A 54 -9.389 13.242 -1.252 1.00 0.00 C ATOM 820 O ARG A 54 -8.230 13.022 -0.901 1.00 0.00 O ATOM 821 CB ARG A 54 -10.384 15.539 -1.138 1.00 0.00 C ATOM 822 CG ARG A 54 -11.586 15.019 -0.364 1.00 0.00 C ATOM 823 CD ARG A 54 -12.186 16.097 0.525 1.00 0.00 C ATOM 824 NE ARG A 54 -11.903 15.861 1.939 1.00 0.00 N ATOM 825 CZ ARG A 54 -12.047 16.783 2.889 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.474 18.002 2.580 1.00 0.00 N ATOM 827 NH2 ARG A 54 -11.766 16.486 4.150 1.00 0.00 N ATOM 0 H ARG A 54 -10.996 13.229 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.814 14.898 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.638 15.902 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.693 16.393 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.342 14.660 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.286 14.168 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.789 17.070 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.265 16.134 0.372 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.576 14.935 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.693 18.235 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.583 18.705 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.439 15.551 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.876 17.193 4.877 1.00 0.00 H new ATOM 841 N LYS A 55 -10.397 12.424 -0.965 1.00 0.00 N ATOM 842 CA LYS A 55 -10.189 11.198 -0.205 1.00 0.00 C ATOM 843 C LYS A 55 -9.463 10.154 -1.050 1.00 0.00 C ATOM 844 O LYS A 55 -10.018 9.103 -1.375 1.00 0.00 O ATOM 845 CB LYS A 55 -11.531 10.649 0.291 1.00 0.00 C ATOM 846 CG LYS A 55 -11.618 10.538 1.805 1.00 0.00 C ATOM 847 CD LYS A 55 -11.341 11.872 2.480 1.00 0.00 C ATOM 848 CE LYS A 55 -9.999 11.870 3.195 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.956 12.866 4.301 1.00 0.00 N ATOM 0 H LYS A 55 -11.363 12.588 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.565 11.429 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.333 11.296 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.697 9.665 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.610 10.185 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.902 9.795 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.356 12.667 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.134 12.090 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.803 10.875 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.206 12.088 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.025 12.832 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.118 13.819 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.695 12.643 4.998 1.00 0.00 H new ATOM 863 N THR A 56 -8.216 10.451 -1.401 1.00 0.00 N ATOM 864 CA THR A 56 -7.410 9.545 -2.207 1.00 0.00 C ATOM 865 C THR A 56 -6.930 8.362 -1.373 1.00 0.00 C ATOM 866 O THR A 56 -6.410 8.537 -0.272 1.00 0.00 O ATOM 867 CB THR A 56 -6.212 10.291 -2.799 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.376 11.692 -2.669 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.984 9.992 -4.264 1.00 0.00 C ATOM 0 H THR A 56 -7.742 11.315 -1.138 1.00 0.00 H new ATOM 0 HA THR A 56 -8.029 9.165 -3.019 1.00 0.00 H new ATOM 0 HB THR A 56 -5.349 9.940 -2.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.497 12.118 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.120 10.553 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.802 8.925 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.865 10.282 -4.836 1.00 0.00 H new ATOM 877 N LEU A 57 -7.109 7.157 -1.904 1.00 0.00 N ATOM 878 CA LEU A 57 -6.693 5.947 -1.206 1.00 0.00 C ATOM 879 C LEU A 57 -6.081 4.942 -2.180 1.00 0.00 C ATOM 880 O LEU A 57 -6.795 4.214 -2.867 1.00 0.00 O ATOM 881 CB LEU A 57 -7.886 5.315 -0.485 1.00 0.00 C ATOM 882 CG LEU A 57 -8.123 5.818 0.940 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.594 5.704 1.307 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.262 5.046 1.929 1.00 0.00 C ATOM 0 H LEU A 57 -7.539 6.993 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.936 6.221 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.785 5.499 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.741 4.235 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.838 6.869 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.744 6.066 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.189 6.303 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.905 4.661 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.444 5.418 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.514 3.987 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.210 5.180 1.677 1.00 0.00 H new ATOM 896 N THR A 58 -4.753 4.911 -2.234 1.00 0.00 N ATOM 897 CA THR A 58 -4.044 3.997 -3.124 1.00 0.00 C ATOM 898 C THR A 58 -4.150 2.557 -2.631 1.00 0.00 C ATOM 899 O THR A 58 -3.597 2.206 -1.590 1.00 0.00 O ATOM 900 CB THR A 58 -2.573 4.400 -3.235 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.451 5.765 -3.597 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.805 3.584 -4.252 1.00 0.00 C ATOM 0 H THR A 58 -4.146 5.508 -1.672 1.00 0.00 H new ATOM 0 HA THR A 58 -4.509 4.059 -4.108 1.00 0.00 H new ATOM 0 HB THR A 58 -2.148 4.215 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.832 6.326 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.769 3.921 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.837 2.531 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.256 3.712 -5.236 1.00 0.00 H new ATOM 910 N THR A 59 -4.859 1.724 -3.387 1.00 0.00 N ATOM 911 CA THR A 59 -5.026 0.323 -3.021 1.00 0.00 C ATOM 912 C THR A 59 -4.079 -0.567 -3.816 1.00 0.00 C ATOM 913 O THR A 59 -3.725 -0.256 -4.954 1.00 0.00 O ATOM 914 CB THR A 59 -6.469 -0.132 -3.247 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.118 0.704 -4.189 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.303 -0.136 -1.984 1.00 0.00 C ATOM 0 H THR A 59 -5.325 1.994 -4.253 1.00 0.00 H new ATOM 0 HA THR A 59 -4.788 0.231 -1.961 1.00 0.00 H new ATOM 0 HB THR A 59 -6.393 -1.155 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.942 1.061 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.314 -0.469 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.857 -0.813 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.339 0.871 -1.569 1.00 0.00 H new ATOM 924 N VAL A 60 -3.678 -1.678 -3.211 1.00 0.00 N ATOM 925 CA VAL A 60 -2.775 -2.620 -3.864 1.00 0.00 C ATOM 926 C VAL A 60 -3.396 -4.010 -3.955 1.00 0.00 C ATOM 927 O VAL A 60 -3.823 -4.579 -2.949 1.00 0.00 O ATOM 928 CB VAL A 60 -1.429 -2.716 -3.122 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.480 -3.665 -3.844 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.810 -1.336 -2.986 1.00 0.00 C ATOM 0 H VAL A 60 -3.963 -1.950 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.599 -2.240 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.609 -3.117 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.464 -3.717 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.926 -4.658 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.299 -3.299 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.141 -1.414 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.643 -0.913 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.483 -0.689 -2.424 1.00 0.00 H new ATOM 940 N GLN A 61 -3.438 -4.551 -5.168 1.00 0.00 N ATOM 941 CA GLN A 61 -4.000 -5.878 -5.400 1.00 0.00 C ATOM 942 C GLN A 61 -2.963 -6.786 -6.047 1.00 0.00 C ATOM 943 O GLN A 61 -2.147 -6.339 -6.854 1.00 0.00 O ATOM 944 CB GLN A 61 -5.249 -5.798 -6.288 1.00 0.00 C ATOM 945 CG GLN A 61 -5.709 -4.378 -6.583 1.00 0.00 C ATOM 946 CD GLN A 61 -6.758 -4.317 -7.677 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.751 -3.408 -8.508 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.667 -5.285 -7.685 1.00 0.00 N ATOM 0 H GLN A 61 -3.089 -4.090 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.288 -6.295 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.045 -6.306 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.062 -6.339 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.113 -3.935 -5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.849 -3.776 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.636 -6.019 -6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.396 -5.294 -8.398 1.00 0.00 H new ATOM 957 N GLY A 62 -2.995 -8.064 -5.687 1.00 0.00 N ATOM 958 CA GLY A 62 -2.049 -9.010 -6.241 1.00 0.00 C ATOM 959 C GLY A 62 -1.006 -9.436 -5.227 1.00 0.00 C ATOM 960 O GLY A 62 -0.444 -10.526 -5.323 1.00 0.00 O ATOM 0 H GLY A 62 -3.659 -8.460 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.584 -9.889 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.554 -8.564 -7.103 1.00 0.00 H new ATOM 964 N ILE A 63 -0.751 -8.568 -4.253 1.00 0.00 N ATOM 965 CA ILE A 63 0.229 -8.849 -3.212 1.00 0.00 C ATOM 966 C ILE A 63 -0.238 -9.993 -2.317 1.00 0.00 C ATOM 967 O ILE A 63 -1.431 -10.151 -2.060 1.00 0.00 O ATOM 968 CB ILE A 63 0.502 -7.590 -2.353 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.284 -6.536 -3.156 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.250 -7.947 -1.072 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.228 -7.110 -4.194 1.00 0.00 C ATOM 0 H ILE A 63 -1.211 -7.662 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 63 1.155 -9.145 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.463 -7.165 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.574 -5.877 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.857 -5.921 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.427 -7.043 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.653 -8.645 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.205 -8.409 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.737 -6.297 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.965 -7.746 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.661 -7.701 -4.914 1.00 0.00 H new ATOM 983 N ALA A 64 0.718 -10.785 -1.846 1.00 0.00 N ATOM 984 CA ALA A 64 0.418 -11.914 -0.977 1.00 0.00 C ATOM 985 C ALA A 64 0.187 -11.456 0.456 1.00 0.00 C ATOM 986 O ALA A 64 0.911 -10.601 0.970 1.00 0.00 O ATOM 987 CB ALA A 64 1.545 -12.935 -1.032 1.00 0.00 C ATOM 0 H ALA A 64 1.710 -10.665 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.500 -12.382 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.308 -13.774 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.661 -13.294 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.474 -12.469 -0.703 1.00 0.00 H new ATOM 993 N ASP A 65 -0.823 -12.029 1.100 1.00 0.00 N ATOM 994 CA ASP A 65 -1.148 -11.681 2.478 1.00 0.00 C ATOM 995 C ASP A 65 -0.033 -12.103 3.433 1.00 0.00 C ATOM 996 O ASP A 65 -0.004 -11.679 4.588 1.00 0.00 O ATOM 997 CB ASP A 65 -2.465 -12.338 2.894 1.00 0.00 C ATOM 998 CG ASP A 65 -2.911 -11.913 4.279 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.266 -10.727 4.451 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -2.904 -12.764 5.193 1.00 0.00 O ATOM 0 H ASP A 65 -1.432 -12.737 0.690 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.253 -10.597 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.240 -12.082 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.351 -13.422 2.869 1.00 0.00 H new ATOM 1005 N ASP A 66 0.882 -12.939 2.948 1.00 0.00 N ATOM 1006 CA ASP A 66 1.992 -13.415 3.766 1.00 0.00 C ATOM 1007 C ASP A 66 3.239 -12.558 3.560 1.00 0.00 C ATOM 1008 O ASP A 66 4.362 -13.042 3.696 1.00 0.00 O ATOM 1009 CB ASP A 66 2.303 -14.875 3.438 1.00 0.00 C ATOM 1010 CG ASP A 66 2.794 -15.647 4.647 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.189 -15.503 5.729 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.783 -16.397 4.511 1.00 0.00 O ATOM 0 H ASP A 66 0.876 -13.300 1.994 1.00 0.00 H new ATOM 0 HA ASP A 66 1.694 -13.337 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.407 -15.355 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.058 -14.915 2.653 1.00 0.00 H new ATOM 1017 N TYR A 67 3.037 -11.283 3.233 1.00 0.00 N ATOM 1018 CA TYR A 67 4.149 -10.366 3.012 1.00 0.00 C ATOM 1019 C TYR A 67 4.587 -9.695 4.315 1.00 0.00 C ATOM 1020 O TYR A 67 5.159 -8.605 4.294 1.00 0.00 O ATOM 1021 CB TYR A 67 3.745 -9.293 2.003 1.00 0.00 C ATOM 1022 CG TYR A 67 3.985 -9.664 0.556 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.185 -10.984 0.165 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.006 -8.682 -0.420 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.399 -11.306 -1.163 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.217 -8.993 -1.747 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.413 -10.308 -2.115 1.00 0.00 C ATOM 1028 OH TYR A 67 4.625 -10.625 -3.437 1.00 0.00 O ATOM 0 H TYR A 67 2.115 -10.864 3.116 1.00 0.00 H new ATOM 0 HA TYR A 67 4.987 -10.945 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.687 -9.069 2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.295 -8.379 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.173 -11.768 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.854 -7.651 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.554 -12.335 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.229 -8.212 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 67 4.603 -9.807 -3.977 1.00 0.00 H new ATOM 1038 N ASP A 68 4.312 -10.348 5.446 1.00 0.00 N ATOM 1039 CA ASP A 68 4.674 -9.819 6.763 1.00 0.00 C ATOM 1040 C ASP A 68 3.656 -8.790 7.262 1.00 0.00 C ATOM 1041 O ASP A 68 3.597 -8.500 8.456 1.00 0.00 O ATOM 1042 CB ASP A 68 6.072 -9.200 6.728 1.00 0.00 C ATOM 1043 CG ASP A 68 6.748 -9.218 8.085 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.338 -10.028 8.943 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.685 -8.419 8.291 1.00 0.00 O ATOM 0 H ASP A 68 3.837 -11.250 5.476 1.00 0.00 H new ATOM 0 HA ASP A 68 4.672 -10.657 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.688 -9.743 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.002 -8.171 6.374 1.00 0.00 H new ATOM 1050 N LYS A 69 2.853 -8.245 6.349 1.00 0.00 N ATOM 1051 CA LYS A 69 1.839 -7.257 6.708 1.00 0.00 C ATOM 1052 C LYS A 69 2.476 -5.969 7.226 1.00 0.00 C ATOM 1053 O LYS A 69 2.506 -4.956 6.528 1.00 0.00 O ATOM 1054 CB LYS A 69 0.887 -7.833 7.760 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.573 -7.814 7.334 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.334 -9.002 7.902 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.256 -8.584 9.036 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.528 -7.832 10.095 1.00 0.00 N ATOM 0 H LYS A 69 2.886 -8.472 5.355 1.00 0.00 H new ATOM 0 HA LYS A 69 1.274 -7.015 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.180 -8.860 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.995 -7.266 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.039 -6.888 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.636 -7.827 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.919 -9.472 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.627 -9.749 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.061 -7.965 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.719 -9.469 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.068 -7.873 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.590 -8.257 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.417 -6.840 9.803 1.00 0.00 H new ATOM 1072 N LYS A 70 2.978 -6.014 8.457 1.00 0.00 N ATOM 1073 CA LYS A 70 3.606 -4.849 9.076 1.00 0.00 C ATOM 1074 C LYS A 70 4.675 -4.242 8.169 1.00 0.00 C ATOM 1075 O LYS A 70 4.771 -3.023 8.038 1.00 0.00 O ATOM 1076 CB LYS A 70 4.229 -5.235 10.419 1.00 0.00 C ATOM 1077 CG LYS A 70 3.219 -5.730 11.439 1.00 0.00 C ATOM 1078 CD LYS A 70 3.906 -6.347 12.646 1.00 0.00 C ATOM 1079 CE LYS A 70 2.926 -7.132 13.504 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.221 -8.182 12.720 1.00 0.00 N ATOM 0 H LYS A 70 2.962 -6.846 9.047 1.00 0.00 H new ATOM 0 HA LYS A 70 2.830 -4.101 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.976 -6.012 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.753 -4.371 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.589 -4.901 11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.563 -6.467 10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.708 -7.006 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.367 -5.561 13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.460 -7.595 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.195 -6.449 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.178 -9.060 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.256 -7.863 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.736 -8.358 11.834 1.00 0.00 H new ATOM 1094 N LYS A 71 5.477 -5.100 7.547 1.00 0.00 N ATOM 1095 CA LYS A 71 6.542 -4.645 6.658 1.00 0.00 C ATOM 1096 C LYS A 71 5.990 -4.001 5.384 1.00 0.00 C ATOM 1097 O LYS A 71 6.757 -3.550 4.534 1.00 0.00 O ATOM 1098 CB LYS A 71 7.456 -5.815 6.290 1.00 0.00 C ATOM 1099 CG LYS A 71 8.911 -5.416 6.110 1.00 0.00 C ATOM 1100 CD LYS A 71 9.692 -6.482 5.360 1.00 0.00 C ATOM 1101 CE LYS A 71 9.357 -6.481 3.877 1.00 0.00 C ATOM 1102 NZ LYS A 71 8.455 -7.606 3.510 1.00 0.00 N ATOM 0 H LYS A 71 5.410 -6.113 7.641 1.00 0.00 H new ATOM 0 HA LYS A 71 7.112 -3.886 7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.390 -6.576 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.096 -6.270 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.966 -4.473 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.367 -5.248 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.760 -6.312 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.470 -7.462 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.884 -5.535 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.277 -6.550 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.003 -8.347 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.023 -8.000 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.708 -7.259 2.875 1.00 0.00 H new ATOM 1116 N LEU A 72 4.666 -3.966 5.246 1.00 0.00 N ATOM 1117 CA LEU A 72 4.044 -3.380 4.064 1.00 0.00 C ATOM 1118 C LEU A 72 3.400 -2.040 4.391 1.00 0.00 C ATOM 1119 O LEU A 72 3.879 -0.993 3.961 1.00 0.00 O ATOM 1120 CB LEU A 72 2.992 -4.335 3.490 1.00 0.00 C ATOM 1121 CG LEU A 72 3.537 -5.625 2.859 1.00 0.00 C ATOM 1122 CD1 LEU A 72 4.962 -5.904 3.322 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.627 -6.799 3.190 1.00 0.00 C ATOM 0 H LEU A 72 4.009 -4.334 5.934 1.00 0.00 H new ATOM 0 HA LEU A 72 4.824 -3.215 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.301 -4.607 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.415 -3.800 2.736 1.00 0.00 H new ATOM 0 HG LEU A 72 3.558 -5.492 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.322 -6.823 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.608 -5.075 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.977 -6.014 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.025 -7.707 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.576 -6.926 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.628 -6.606 2.799 1.00 0.00 H new ATOM 1135 N VAL A 73 2.311 -2.080 5.151 1.00 0.00 N ATOM 1136 CA VAL A 73 1.607 -0.865 5.527 1.00 0.00 C ATOM 1137 C VAL A 73 2.328 -0.142 6.659 1.00 0.00 C ATOM 1138 O VAL A 73 2.531 1.071 6.601 1.00 0.00 O ATOM 1139 CB VAL A 73 0.147 -1.160 5.934 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.066 -1.724 7.346 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.706 0.091 5.798 1.00 0.00 C ATOM 0 H VAL A 73 1.900 -2.939 5.516 1.00 0.00 H new ATOM 0 HA VAL A 73 1.593 -0.217 4.651 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.244 -1.919 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.976 -1.920 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.634 -2.653 7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.482 -1.003 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.732 -0.135 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.309 0.874 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.689 0.432 4.763 1.00 0.00 H new ATOM 1151 N LYS A 74 2.735 -0.894 7.678 1.00 0.00 N ATOM 1152 CA LYS A 74 3.454 -0.311 8.802 1.00 0.00 C ATOM 1153 C LYS A 74 4.761 0.287 8.308 1.00 0.00 C ATOM 1154 O LYS A 74 5.127 1.406 8.669 1.00 0.00 O ATOM 1155 CB LYS A 74 3.726 -1.363 9.877 1.00 0.00 C ATOM 1156 CG LYS A 74 3.488 -0.863 11.294 1.00 0.00 C ATOM 1157 CD LYS A 74 2.190 -1.409 11.870 1.00 0.00 C ATOM 1158 CE LYS A 74 1.357 -0.309 12.510 1.00 0.00 C ATOM 1159 NZ LYS A 74 0.412 -0.845 13.530 1.00 0.00 N ATOM 0 H LYS A 74 2.580 -1.900 7.747 1.00 0.00 H new ATOM 0 HA LYS A 74 2.840 0.473 9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.090 -2.229 9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.758 -1.702 9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.322 -1.160 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.458 0.227 11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.614 -1.890 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.414 -2.175 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.018 0.421 12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.796 0.217 11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.136 -0.062 13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.236 -1.523 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.948 -1.325 14.281 1.00 0.00 H new ATOM 1173 N ALA A 75 5.449 -0.467 7.457 1.00 0.00 N ATOM 1174 CA ALA A 75 6.705 -0.015 6.881 1.00 0.00 C ATOM 1175 C ALA A 75 6.470 1.215 6.016 1.00 0.00 C ATOM 1176 O ALA A 75 7.231 2.181 6.074 1.00 0.00 O ATOM 1177 CB ALA A 75 7.346 -1.127 6.064 1.00 0.00 C ATOM 0 H ALA A 75 5.155 -1.395 7.152 1.00 0.00 H new ATOM 0 HA ALA A 75 7.386 0.251 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.285 -0.772 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.540 -1.986 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.673 -1.421 5.259 1.00 0.00 H new ATOM 1183 N PHE A 76 5.403 1.178 5.217 1.00 0.00 N ATOM 1184 CA PHE A 76 5.064 2.302 4.344 1.00 0.00 C ATOM 1185 C PHE A 76 5.100 3.623 5.112 1.00 0.00 C ATOM 1186 O PHE A 76 5.701 4.598 4.663 1.00 0.00 O ATOM 1187 CB PHE A 76 3.679 2.113 3.717 1.00 0.00 C ATOM 1188 CG PHE A 76 3.490 2.915 2.463 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.967 2.444 1.251 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.856 4.149 2.495 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.815 3.183 0.095 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.704 4.895 1.342 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.185 4.411 0.140 1.00 0.00 C ATOM 0 H PHE A 76 4.762 0.387 5.156 1.00 0.00 H new ATOM 0 HA PHE A 76 5.810 2.333 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.529 1.057 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.916 2.397 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.464 1.486 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.477 4.531 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.188 2.801 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.210 5.855 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.068 4.992 -0.763 1.00 0.00 H new ATOM 1203 N LYS A 77 4.450 3.644 6.272 1.00 0.00 N ATOM 1204 CA LYS A 77 4.405 4.845 7.104 1.00 0.00 C ATOM 1205 C LYS A 77 5.757 5.132 7.758 1.00 0.00 C ATOM 1206 O LYS A 77 5.926 6.151 8.426 1.00 0.00 O ATOM 1207 CB LYS A 77 3.330 4.701 8.181 1.00 0.00 C ATOM 1208 CG LYS A 77 1.949 4.408 7.618 1.00 0.00 C ATOM 1209 CD LYS A 77 1.419 3.066 8.097 1.00 0.00 C ATOM 1210 CE LYS A 77 0.401 3.234 9.214 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.625 2.262 10.320 1.00 0.00 N ATOM 0 H LYS A 77 3.947 2.845 6.658 1.00 0.00 H new ATOM 0 HA LYS A 77 4.161 5.685 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.614 3.900 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.288 5.619 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.260 5.198 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.991 4.415 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.960 2.536 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.248 2.451 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.457 4.249 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.604 3.102 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.256 2.141 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.916 1.346 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.371 2.619 10.950 1.00 0.00 H new ATOM 1225 N LYS A 78 6.717 4.233 7.566 1.00 0.00 N ATOM 1226 CA LYS A 78 8.047 4.403 8.136 1.00 0.00 C ATOM 1227 C LYS A 78 9.051 4.804 7.056 1.00 0.00 C ATOM 1228 O LYS A 78 10.105 5.366 7.352 1.00 0.00 O ATOM 1229 CB LYS A 78 8.498 3.108 8.814 1.00 0.00 C ATOM 1230 CG LYS A 78 9.045 3.315 10.218 1.00 0.00 C ATOM 1231 CD LYS A 78 8.844 2.080 11.083 1.00 0.00 C ATOM 1232 CE LYS A 78 8.243 2.434 12.434 1.00 0.00 C ATOM 1233 NZ LYS A 78 6.755 2.424 12.399 1.00 0.00 N ATOM 0 H LYS A 78 6.598 3.380 7.020 1.00 0.00 H new ATOM 0 HA LYS A 78 8.003 5.199 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.655 2.419 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.264 2.634 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.107 3.554 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.550 4.169 10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.191 1.376 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.801 1.578 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.593 1.725 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.592 3.420 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.384 2.670 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.419 3.119 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.420 1.476 12.132 1.00 0.00 H new ATOM 1247 N LYS A 79 8.714 4.507 5.805 1.00 0.00 N ATOM 1248 CA LYS A 79 9.581 4.829 4.680 1.00 0.00 C ATOM 1249 C LYS A 79 9.302 6.234 4.152 1.00 0.00 C ATOM 1250 O LYS A 79 10.222 7.029 3.963 1.00 0.00 O ATOM 1251 CB LYS A 79 9.390 3.806 3.558 1.00 0.00 C ATOM 1252 CG LYS A 79 10.655 3.535 2.758 1.00 0.00 C ATOM 1253 CD LYS A 79 10.476 3.891 1.291 1.00 0.00 C ATOM 1254 CE LYS A 79 11.707 3.530 0.476 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.875 4.384 0.828 1.00 0.00 N ATOM 0 H LYS A 79 7.844 4.042 5.546 1.00 0.00 H new ATOM 0 HA LYS A 79 10.613 4.794 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.035 2.870 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.612 4.162 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.481 4.112 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.924 2.483 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.608 3.367 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.276 4.958 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.959 2.483 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.484 3.639 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.396 4.634 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.542 5.252 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.504 3.864 1.472 1.00 0.00 H new ATOM 1269 N PHE A 80 8.029 6.532 3.912 1.00 0.00 N ATOM 1270 CA PHE A 80 7.638 7.842 3.400 1.00 0.00 C ATOM 1271 C PHE A 80 6.917 8.669 4.462 1.00 0.00 C ATOM 1272 O PHE A 80 6.769 9.881 4.314 1.00 0.00 O ATOM 1273 CB PHE A 80 6.736 7.698 2.170 1.00 0.00 C ATOM 1274 CG PHE A 80 7.054 6.506 1.313 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.593 5.246 1.659 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.810 6.646 0.161 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.880 4.149 0.873 1.00 0.00 C ATOM 1278 CE2 PHE A 80 8.101 5.551 -0.630 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.634 4.301 -0.272 1.00 0.00 C ATOM 0 H PHE A 80 7.253 5.887 4.063 1.00 0.00 H new ATOM 0 HA PHE A 80 8.554 8.361 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.699 7.629 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 80 6.819 8.600 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.002 5.121 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.176 7.622 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.515 3.172 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.692 5.672 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.859 3.443 -0.888 1.00 0.00 H new ATOM 1289 N ALA A 81 6.456 8.011 5.524 1.00 0.00 N ATOM 1290 CA ALA A 81 5.737 8.697 6.594 1.00 0.00 C ATOM 1291 C ALA A 81 4.319 9.029 6.150 1.00 0.00 C ATOM 1292 O ALA A 81 3.755 10.053 6.534 1.00 0.00 O ATOM 1293 CB ALA A 81 6.472 9.962 7.019 1.00 0.00 C ATOM 0 H ALA A 81 6.567 7.007 5.666 1.00 0.00 H new ATOM 0 HA ALA A 81 5.687 8.029 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.917 10.455 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.468 9.701 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.558 10.636 6.167 1.00 0.00 H new ATOM 1299 N CYS A 82 3.751 8.149 5.331 1.00 0.00 N ATOM 1300 CA CYS A 82 2.401 8.334 4.822 1.00 0.00 C ATOM 1301 C CYS A 82 1.397 7.550 5.658 1.00 0.00 C ATOM 1302 O CYS A 82 1.752 6.957 6.675 1.00 0.00 O ATOM 1303 CB CYS A 82 2.324 7.893 3.358 1.00 0.00 C ATOM 1304 SG CYS A 82 2.906 9.137 2.182 1.00 0.00 S ATOM 0 H CYS A 82 4.209 7.298 5.006 1.00 0.00 H new ATOM 0 HA CYS A 82 2.152 9.393 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.913 6.985 3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.291 7.638 3.120 1.00 0.00 H new ATOM 0 HG CYS A 82 2.228 9.041 1.077 1.00 0.00 H new ATOM 1310 N ASN A 83 0.144 7.551 5.223 1.00 0.00 N ATOM 1311 CA ASN A 83 -0.909 6.839 5.929 1.00 0.00 C ATOM 1312 C ASN A 83 -1.293 5.574 5.171 1.00 0.00 C ATOM 1313 O ASN A 83 -1.662 5.629 3.999 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.131 7.740 6.108 1.00 0.00 C ATOM 1315 CG ASN A 83 -1.962 8.713 7.256 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.155 9.918 7.098 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -1.600 8.193 8.423 1.00 0.00 N ATOM 0 H ASN A 83 -0.167 8.038 4.383 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.537 6.556 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.309 8.295 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.012 7.123 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.471 8.799 9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.451 7.188 8.509 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.191 4.435 5.843 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.522 3.175 5.209 1.00 0.00 C ATOM 1326 C GLY A 84 -2.553 2.381 5.982 1.00 0.00 C ATOM 1327 O GLY A 84 -2.727 2.576 7.185 1.00 0.00 O ATOM 0 H GLY A 84 -0.886 4.361 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.897 3.367 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.616 2.578 5.102 1.00 0.00 H new ATOM 1331 N THR A 85 -3.236 1.479 5.285 1.00 0.00 N ATOM 1332 CA THR A 85 -4.255 0.640 5.907 1.00 0.00 C ATOM 1333 C THR A 85 -4.411 -0.675 5.150 1.00 0.00 C ATOM 1334 O THR A 85 -4.189 -0.736 3.943 1.00 0.00 O ATOM 1335 CB THR A 85 -5.593 1.378 5.954 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.155 1.484 4.658 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.488 2.776 6.524 1.00 0.00 C ATOM 0 H THR A 85 -3.102 1.310 4.288 1.00 0.00 H new ATOM 0 HA THR A 85 -3.936 0.417 6.925 1.00 0.00 H new ATOM 0 HB THR A 85 -6.226 0.782 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.817 2.293 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.473 3.242 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.106 2.725 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.809 3.369 5.911 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.797 -1.725 5.869 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.984 -3.040 5.265 1.00 0.00 C ATOM 1347 C VAL A 86 -6.451 -3.461 5.326 1.00 0.00 C ATOM 1348 O VAL A 86 -6.986 -3.724 6.402 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.119 -4.107 5.965 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.512 -4.248 7.428 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.227 -5.443 5.243 1.00 0.00 C ATOM 0 H VAL A 86 -4.986 -1.691 6.871 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.673 -2.964 4.223 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.079 -3.782 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.888 -5.006 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.371 -3.294 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.559 -4.545 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.609 -6.183 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.265 -5.774 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.884 -5.330 4.215 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.097 -3.521 4.166 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.502 -3.907 4.093 1.00 0.00 C ATOM 1363 C ILE A 87 -8.705 -5.096 3.163 1.00 0.00 C ATOM 1364 O ILE A 87 -7.841 -5.415 2.346 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.384 -2.743 3.594 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.947 -2.302 2.195 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.329 -1.573 4.563 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -10.042 -1.611 1.410 1.00 0.00 C ATOM 0 H ILE A 87 -6.671 -3.308 3.264 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.798 -4.180 5.106 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.415 -3.093 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.095 -1.628 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.606 -3.175 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.958 -0.763 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.689 -1.893 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.301 -1.222 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.662 -1.326 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.887 -2.289 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.367 -0.719 1.946 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.864 -5.733 3.279 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.198 -6.869 2.437 1.00 0.00 C ATOM 1382 C GLU A 88 -11.347 -6.505 1.506 1.00 0.00 C ATOM 1383 O GLU A 88 -12.492 -6.898 1.727 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.575 -8.082 3.286 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.681 -9.364 2.482 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.529 -10.606 3.337 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -9.945 -10.502 4.437 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.993 -11.683 2.908 1.00 0.00 O ATOM 0 H GLU A 88 -10.588 -5.479 3.951 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.322 -7.127 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.830 -8.214 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.528 -7.890 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.646 -9.392 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.915 -9.366 1.707 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.029 -5.738 0.470 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.023 -5.297 -0.499 1.00 0.00 C ATOM 1397 C HIS A 89 -12.822 -6.475 -1.057 1.00 0.00 C ATOM 1398 O HIS A 89 -12.251 -7.495 -1.441 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.341 -4.542 -1.640 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.164 -3.421 -2.188 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.812 -3.492 -3.401 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.452 -2.200 -1.678 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.464 -2.364 -3.617 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.262 -1.563 -2.587 1.00 0.00 N ATOM 0 H HIS A 89 -10.083 -5.407 0.279 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.719 -4.632 0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.390 -4.145 -1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.114 -5.242 -2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.109 -1.802 -0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.061 -2.136 -4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.645 -0.623 -2.483 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.162 -6.348 -1.113 1.00 0.00 N ATOM 1414 CA PRO A 90 -15.032 -7.404 -1.633 1.00 0.00 C ATOM 1415 C PRO A 90 -15.018 -7.469 -3.157 1.00 0.00 C ATOM 1416 O PRO A 90 -15.470 -8.449 -3.750 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.413 -6.993 -1.127 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.353 -5.507 -1.044 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.931 -5.163 -0.681 1.00 0.00 C ATOM 0 HA PRO A 90 -14.718 -8.395 -1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.199 -7.321 -1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.628 -7.436 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.633 -5.052 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.048 -5.131 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.595 -4.260 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.823 -4.984 0.389 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.496 -6.420 -3.787 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.422 -6.359 -5.241 1.00 0.00 C ATOM 1429 C GLU A 91 -13.166 -7.059 -5.752 1.00 0.00 C ATOM 1430 O GLU A 91 -13.116 -7.504 -6.899 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.438 -4.900 -5.707 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.546 -4.586 -6.697 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.116 -4.790 -8.137 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.673 -5.909 -8.471 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -15.224 -3.831 -8.929 1.00 0.00 O ATOM 0 H GLU A 91 -14.118 -5.601 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.291 -6.874 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.546 -4.252 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.477 -4.664 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.407 -5.220 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.868 -3.554 -6.561 1.00 0.00 H new ATOM 1442 N TYR A 92 -12.152 -7.150 -4.896 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.894 -7.792 -5.266 1.00 0.00 C ATOM 1444 C TYR A 92 -10.523 -8.881 -4.265 1.00 0.00 C ATOM 1445 O TYR A 92 -10.294 -10.032 -4.638 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.772 -6.754 -5.347 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.244 -5.384 -5.783 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.993 -5.226 -6.941 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.947 -4.252 -5.034 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.432 -3.980 -7.343 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.384 -3.002 -5.428 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.125 -2.871 -6.583 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.561 -1.628 -6.980 1.00 0.00 O ATOM 0 H TYR A 92 -12.177 -6.788 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.025 -8.253 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.294 -6.671 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.012 -7.106 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.237 -6.093 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.365 -4.351 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.013 -3.875 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.146 -2.132 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.261 -0.955 -6.334 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.466 -8.508 -2.991 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.122 -9.458 -1.950 1.00 0.00 C ATOM 1465 C GLY A 93 -9.289 -8.829 -0.854 1.00 0.00 C ATOM 1466 O GLY A 93 -9.772 -7.972 -0.117 1.00 0.00 O ATOM 0 H GLY A 93 -10.653 -7.561 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.035 -9.869 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.573 -10.292 -2.388 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.036 -9.251 -0.748 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.135 -8.718 0.267 1.00 0.00 C ATOM 1472 C GLU A 94 -6.199 -7.676 -0.337 1.00 0.00 C ATOM 1473 O GLU A 94 -5.113 -8.006 -0.814 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.320 -9.847 0.901 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.930 -9.579 2.345 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.630 -10.504 3.322 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.706 -11.032 2.970 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.104 -10.699 4.437 1.00 0.00 O ATOM 0 H GLU A 94 -7.620 -9.960 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.737 -8.239 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.897 -10.771 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.416 -10.006 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.851 -9.693 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.168 -8.545 2.595 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.627 -6.417 -0.321 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.828 -5.331 -0.874 1.00 0.00 C ATOM 1487 C VAL A 95 -5.590 -4.232 0.156 1.00 0.00 C ATOM 1488 O VAL A 95 -6.480 -3.896 0.937 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.505 -4.712 -2.112 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.563 -5.721 -3.248 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.899 -4.211 -1.763 1.00 0.00 C ATOM 0 H VAL A 95 -7.523 -6.125 0.069 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.871 -5.765 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.910 -3.861 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.044 -5.267 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.551 -6.028 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.135 -6.593 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.362 -3.777 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.506 -5.043 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.829 -3.453 -0.983 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.388 -3.667 0.140 1.00 0.00 N ATOM 1502 CA ILE A 96 -4.037 -2.594 1.061 1.00 0.00 C ATOM 1503 C ILE A 96 -4.720 -1.303 0.627 1.00 0.00 C ATOM 1504 O ILE A 96 -5.137 -1.176 -0.521 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.498 -2.408 1.136 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.921 -3.342 2.208 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -2.107 -0.954 1.405 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.807 -2.717 3.583 1.00 0.00 C ATOM 0 H ILE A 96 -3.641 -3.935 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.385 -2.859 2.059 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.075 -2.669 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.550 -4.230 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.933 -3.675 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.021 -0.871 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.487 -0.321 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.534 -0.632 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.391 -3.444 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.153 -1.846 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.795 -2.410 3.926 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.847 -0.354 1.546 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.495 0.912 1.234 1.00 0.00 C ATOM 1522 C GLN A 97 -4.679 2.097 1.744 1.00 0.00 C ATOM 1523 O GLN A 97 -4.964 2.650 2.806 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.903 0.950 1.836 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.999 1.182 0.809 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.197 1.906 1.390 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.758 2.805 0.762 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.597 1.518 2.595 1.00 0.00 N ATOM 0 H GLN A 97 -4.512 -0.436 2.506 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.565 0.991 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.094 0.009 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.947 1.740 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.597 1.761 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.320 0.223 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.103 0.769 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.398 1.969 3.036 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.675 2.491 0.971 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.833 3.622 1.336 1.00 0.00 C ATOM 1539 C LEU A 98 -3.651 4.908 1.324 1.00 0.00 C ATOM 1540 O LEU A 98 -4.767 4.934 0.808 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.658 3.738 0.363 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.308 3.254 0.894 1.00 0.00 C ATOM 1543 CD1 LEU A 98 -0.474 2.040 1.797 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.622 2.935 -0.267 1.00 0.00 C ATOM 0 H LEU A 98 -3.424 2.045 0.089 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.443 3.461 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.898 3.172 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.558 4.782 0.066 1.00 0.00 H new ATOM 0 HG LEU A 98 0.132 4.052 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.503 1.719 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.107 2.301 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.937 1.229 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.581 2.591 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.178 2.154 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.773 3.831 -0.869 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.092 5.971 1.886 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.778 7.258 1.928 1.00 0.00 C ATOM 1558 C GLN A 99 -3.104 8.260 0.997 1.00 0.00 C ATOM 1559 O GLN A 99 -1.883 8.422 1.025 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.804 7.800 3.358 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.205 8.046 3.892 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.706 9.446 3.592 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.947 10.414 3.640 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.992 9.560 3.279 1.00 0.00 N ATOM 0 H GLN A 99 -2.168 5.969 2.318 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.803 7.110 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.293 7.095 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.242 8.733 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.889 7.318 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.213 7.885 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.585 8.731 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.386 10.477 3.067 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.903 8.924 0.171 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.364 9.894 -0.763 1.00 0.00 C ATOM 1575 C GLY A 100 -2.958 9.253 -2.075 1.00 0.00 C ATOM 1576 O GLY A 100 -3.072 8.038 -2.237 1.00 0.00 O ATOM 0 H GLY A 100 -4.916 8.808 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.108 10.668 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.500 10.386 -0.317 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.477 10.061 -3.012 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.048 9.548 -4.307 1.00 0.00 C ATOM 1582 C ASP A 101 -0.649 8.948 -4.204 1.00 0.00 C ATOM 1583 O ASP A 101 0.329 9.538 -4.665 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.071 10.656 -5.361 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.332 11.900 -4.908 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.515 11.796 -3.970 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -1.571 12.978 -5.492 1.00 0.00 O ATOM 0 H ASP A 101 -2.375 11.070 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.743 8.766 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.623 10.286 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.105 10.914 -5.590 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.565 7.775 -3.586 1.00 0.00 N ATOM 1593 CA GLN A 102 0.705 7.088 -3.405 1.00 0.00 C ATOM 1594 C GLN A 102 1.012 6.173 -4.585 1.00 0.00 C ATOM 1595 O GLN A 102 1.977 5.414 -4.547 1.00 0.00 O ATOM 1596 CB GLN A 102 0.678 6.269 -2.112 1.00 0.00 C ATOM 1597 CG GLN A 102 1.302 6.977 -0.920 1.00 0.00 C ATOM 1598 CD GLN A 102 0.863 8.423 -0.796 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.660 9.299 -0.457 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.410 8.682 -1.071 1.00 0.00 N ATOM 0 H GLN A 102 -1.368 7.279 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 102 1.489 7.843 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.356 6.019 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.203 5.328 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.038 6.443 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.388 6.939 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.036 7.926 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.762 9.637 -1.005 1.00 0.00 H new ATOM 1609 N ARG A 103 0.195 6.245 -5.634 1.00 0.00 N ATOM 1610 CA ARG A 103 0.401 5.414 -6.815 1.00 0.00 C ATOM 1611 C ARG A 103 1.860 5.453 -7.259 1.00 0.00 C ATOM 1612 O ARG A 103 2.371 4.498 -7.843 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.507 5.876 -7.958 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.200 7.283 -8.446 1.00 0.00 C ATOM 1615 CD ARG A 103 0.081 7.310 -9.941 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.064 7.803 -10.704 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.993 8.200 -11.973 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.162 8.162 -12.624 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.083 8.634 -12.592 1.00 0.00 N ATOM 0 H ARG A 103 -0.611 6.867 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 103 0.147 4.387 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.410 5.181 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.545 5.833 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.042 7.938 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.662 7.676 -7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.946 7.943 -10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.338 6.306 -10.280 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.970 7.845 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 103 1.002 7.827 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.210 8.467 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.974 8.663 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.030 8.939 -13.564 1.00 0.00 H new ATOM 1633 N LYS A 104 2.529 6.566 -6.967 1.00 0.00 N ATOM 1634 CA LYS A 104 3.932 6.731 -7.324 1.00 0.00 C ATOM 1635 C LYS A 104 4.837 6.292 -6.176 1.00 0.00 C ATOM 1636 O LYS A 104 5.973 5.869 -6.397 1.00 0.00 O ATOM 1637 CB LYS A 104 4.221 8.188 -7.687 1.00 0.00 C ATOM 1638 CG LYS A 104 5.576 8.393 -8.346 1.00 0.00 C ATOM 1639 CD LYS A 104 6.353 9.523 -7.689 1.00 0.00 C ATOM 1640 CE LYS A 104 6.159 10.835 -8.430 1.00 0.00 C ATOM 1641 NZ LYS A 104 7.260 11.799 -8.152 1.00 0.00 N ATOM 0 H LYS A 104 2.120 7.366 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 104 4.138 6.102 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.441 8.548 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.170 8.796 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.154 7.471 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.437 8.614 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.028 9.636 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.413 9.271 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.107 10.642 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.207 11.278 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.090 12.681 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.294 12.003 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.166 11.387 -8.453 1.00 0.00 H new ATOM 1655 N ASN A 105 4.329 6.392 -4.949 1.00 0.00 N ATOM 1656 CA ASN A 105 5.098 6.000 -3.772 1.00 0.00 C ATOM 1657 C ASN A 105 5.015 4.494 -3.546 1.00 0.00 C ATOM 1658 O ASN A 105 6.002 3.858 -3.176 1.00 0.00 O ATOM 1659 CB ASN A 105 4.591 6.740 -2.535 1.00 0.00 C ATOM 1660 CG ASN A 105 5.402 7.985 -2.233 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.615 7.917 -2.032 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.734 9.130 -2.196 1.00 0.00 N ATOM 0 H ASN A 105 3.392 6.740 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 105 6.140 6.268 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.547 7.017 -2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.624 6.071 -1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.225 10.001 -1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.729 9.140 -2.369 1.00 0.00 H new ATOM 1669 N ILE A 106 3.834 3.928 -3.774 1.00 0.00 N ATOM 1670 CA ILE A 106 3.629 2.498 -3.594 1.00 0.00 C ATOM 1671 C ILE A 106 4.455 1.703 -4.600 1.00 0.00 C ATOM 1672 O ILE A 106 5.193 0.793 -4.222 1.00 0.00 O ATOM 1673 CB ILE A 106 2.142 2.118 -3.713 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.941 0.649 -3.346 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.620 2.400 -5.115 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.421 0.304 -1.951 1.00 0.00 C ATOM 0 H ILE A 106 3.007 4.438 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 106 3.961 2.247 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 106 1.573 2.731 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.882 0.404 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.470 0.027 -4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.567 2.123 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.729 3.462 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.189 1.817 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.247 -0.755 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.487 0.518 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.875 0.900 -1.220 1.00 0.00 H new ATOM 1688 N CYS A 107 4.362 2.071 -5.877 1.00 0.00 N ATOM 1689 CA CYS A 107 5.143 1.404 -6.913 1.00 0.00 C ATOM 1690 C CYS A 107 6.618 1.501 -6.547 1.00 0.00 C ATOM 1691 O CYS A 107 7.401 0.577 -6.772 1.00 0.00 O ATOM 1692 CB CYS A 107 4.886 2.054 -8.276 1.00 0.00 C ATOM 1693 SG CYS A 107 5.941 1.434 -9.610 1.00 0.00 S ATOM 0 H CYS A 107 3.759 2.821 -6.215 1.00 0.00 H new ATOM 0 HA CYS A 107 4.849 0.357 -6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.843 1.895 -8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.031 3.130 -8.185 1.00 0.00 H new ATOM 0 HG CYS A 107 6.905 0.722 -9.106 1.00 0.00 H new ATOM 1699 N GLN A 108 6.967 2.634 -5.945 1.00 0.00 N ATOM 1700 CA GLN A 108 8.325 2.890 -5.496 1.00 0.00 C ATOM 1701 C GLN A 108 8.613 2.059 -4.248 1.00 0.00 C ATOM 1702 O GLN A 108 9.737 1.609 -4.032 1.00 0.00 O ATOM 1703 CB GLN A 108 8.493 4.395 -5.222 1.00 0.00 C ATOM 1704 CG GLN A 108 9.547 4.754 -4.183 1.00 0.00 C ATOM 1705 CD GLN A 108 10.875 5.136 -4.807 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.199 6.317 -4.932 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.654 4.134 -5.201 1.00 0.00 N ATOM 0 H GLN A 108 6.316 3.396 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 108 9.040 2.601 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.746 4.892 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.534 4.797 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.184 5.582 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.695 3.907 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.346 3.170 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.560 4.329 -5.626 1.00 0.00 H new ATOM 1716 N PHE A 109 7.577 1.852 -3.437 1.00 0.00 N ATOM 1717 CA PHE A 109 7.701 1.067 -2.216 1.00 0.00 C ATOM 1718 C PHE A 109 7.852 -0.410 -2.550 1.00 0.00 C ATOM 1719 O PHE A 109 8.700 -1.102 -1.988 1.00 0.00 O ATOM 1720 CB PHE A 109 6.470 1.273 -1.329 1.00 0.00 C ATOM 1721 CG PHE A 109 6.540 0.535 -0.021 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.480 0.882 0.937 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.663 -0.504 0.250 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.544 0.205 2.140 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.724 -1.184 1.451 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.665 -0.829 2.398 1.00 0.00 C ATOM 0 H PHE A 109 6.641 2.219 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 109 8.589 1.401 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.350 2.338 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.583 0.949 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.169 1.690 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.924 -0.785 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.281 0.484 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.036 -1.993 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.713 -1.359 3.338 1.00 0.00 H new ATOM 1736 N LEU A 110 7.022 -0.884 -3.473 1.00 0.00 N ATOM 1737 CA LEU A 110 7.055 -2.279 -3.894 1.00 0.00 C ATOM 1738 C LEU A 110 8.426 -2.643 -4.449 1.00 0.00 C ATOM 1739 O LEU A 110 8.859 -3.791 -4.360 1.00 0.00 O ATOM 1740 CB LEU A 110 5.975 -2.537 -4.949 1.00 0.00 C ATOM 1741 CG LEU A 110 4.595 -2.912 -4.399 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.234 -2.048 -3.199 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.540 -2.781 -5.487 1.00 0.00 C ATOM 0 H LEU A 110 6.316 -0.320 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 110 6.859 -2.905 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.871 -1.643 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.316 -3.338 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 110 4.630 -3.950 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.250 -2.334 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.975 -2.191 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.219 -1.000 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.564 -3.051 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.513 -1.752 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.786 -3.447 -6.314 1.00 0.00 H new ATOM 1755 N VAL A 111 9.108 -1.656 -5.023 1.00 0.00 N ATOM 1756 CA VAL A 111 10.431 -1.875 -5.589 1.00 0.00 C ATOM 1757 C VAL A 111 11.523 -1.577 -4.563 1.00 0.00 C ATOM 1758 O VAL A 111 12.604 -2.163 -4.608 1.00 0.00 O ATOM 1759 CB VAL A 111 10.657 -1.003 -6.839 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.022 -1.282 -7.453 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.551 -1.235 -7.857 1.00 0.00 C ATOM 0 H VAL A 111 8.765 -0.699 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 111 10.486 -2.925 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 111 10.631 0.044 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.160 -0.655 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.801 -1.059 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.084 -2.331 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.726 -0.611 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.544 -2.284 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.589 -0.977 -7.414 1.00 0.00 H new ATOM 1771 N GLU A 112 11.231 -0.667 -3.640 1.00 0.00 N ATOM 1772 CA GLU A 112 12.188 -0.295 -2.604 1.00 0.00 C ATOM 1773 C GLU A 112 12.366 -1.428 -1.598 1.00 0.00 C ATOM 1774 O GLU A 112 13.485 -1.747 -1.197 1.00 0.00 O ATOM 1775 CB GLU A 112 11.725 0.971 -1.881 1.00 0.00 C ATOM 1776 CG GLU A 112 11.998 2.250 -2.656 1.00 0.00 C ATOM 1777 CD GLU A 112 13.246 2.966 -2.179 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.266 2.287 -1.940 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.203 4.208 -2.046 1.00 0.00 O ATOM 0 H GLU A 112 10.340 -0.174 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 112 13.147 -0.101 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.655 0.896 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.223 1.029 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.102 2.014 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.142 2.918 -2.561 1.00 0.00 H new ATOM 1786 N ILE A 113 11.253 -2.031 -1.194 1.00 0.00 N ATOM 1787 CA ILE A 113 11.279 -3.127 -0.234 1.00 0.00 C ATOM 1788 C ILE A 113 11.411 -4.478 -0.936 1.00 0.00 C ATOM 1789 O ILE A 113 11.828 -5.465 -0.330 1.00 0.00 O ATOM 1790 CB ILE A 113 10.007 -3.136 0.642 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.799 -3.629 -0.167 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.747 -1.744 1.204 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.469 -3.457 0.539 1.00 0.00 C ATOM 0 H ILE A 113 10.320 -1.778 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 113 12.150 -2.968 0.402 1.00 0.00 H new ATOM 0 HB ILE A 113 10.161 -3.823 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.767 -3.092 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.939 -4.684 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.848 -1.762 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.597 -1.432 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.610 -1.040 0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.668 -3.829 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.478 -4.017 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.303 -2.401 0.750 1.00 0.00 H new ATOM 1805 N GLY A 114 11.035 -4.516 -2.211 1.00 0.00 N ATOM 1806 CA GLY A 114 11.101 -5.753 -2.964 1.00 0.00 C ATOM 1807 C GLY A 114 9.812 -6.539 -2.856 1.00 0.00 C ATOM 1808 O GLY A 114 9.822 -7.770 -2.835 1.00 0.00 O ATOM 0 H GLY A 114 10.686 -3.713 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.307 -5.532 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.930 -6.359 -2.598 1.00 0.00 H new ATOM 1812 N LEU A 115 8.700 -5.817 -2.779 1.00 0.00 N ATOM 1813 CA LEU A 115 7.386 -6.434 -2.662 1.00 0.00 C ATOM 1814 C LEU A 115 6.914 -6.982 -4.005 1.00 0.00 C ATOM 1815 O LEU A 115 6.908 -8.194 -4.223 1.00 0.00 O ATOM 1816 CB LEU A 115 6.377 -5.415 -2.119 1.00 0.00 C ATOM 1817 CG LEU A 115 5.415 -5.947 -1.055 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.169 -6.727 0.012 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.630 -4.804 -0.427 1.00 0.00 C ATOM 0 H LEU A 115 8.684 -4.797 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 115 7.461 -7.270 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.927 -4.573 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.792 -5.029 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 115 4.711 -6.625 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.465 -7.096 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.684 -7.570 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.898 -6.075 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.951 -5.201 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.321 -4.102 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.056 -4.290 -1.198 1.00 0.00 H new ATOM 1831 N ALA A 116 6.524 -6.085 -4.903 1.00 0.00 N ATOM 1832 CA ALA A 116 6.058 -6.484 -6.223 1.00 0.00 C ATOM 1833 C ALA A 116 7.207 -6.463 -7.225 1.00 0.00 C ATOM 1834 O ALA A 116 8.223 -5.806 -7.001 1.00 0.00 O ATOM 1835 CB ALA A 116 4.933 -5.571 -6.685 1.00 0.00 C ATOM 0 H ALA A 116 6.522 -5.078 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 116 5.675 -7.503 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.595 -5.882 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.103 -5.632 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.294 -4.544 -6.731 1.00 0.00 H new ATOM 1841 N LYS A 117 7.043 -7.179 -8.332 1.00 0.00 N ATOM 1842 CA LYS A 117 8.074 -7.230 -9.360 1.00 0.00 C ATOM 1843 C LYS A 117 7.969 -6.018 -10.278 1.00 0.00 C ATOM 1844 O LYS A 117 6.873 -5.528 -10.547 1.00 0.00 O ATOM 1845 CB LYS A 117 7.953 -8.520 -10.174 1.00 0.00 C ATOM 1846 CG LYS A 117 8.986 -9.571 -9.801 1.00 0.00 C ATOM 1847 CD LYS A 117 10.277 -9.390 -10.587 1.00 0.00 C ATOM 1848 CE LYS A 117 11.461 -9.137 -9.668 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.583 -8.466 -10.379 1.00 0.00 N ATOM 0 H LYS A 117 6.210 -7.729 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 117 9.048 -7.215 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.956 -8.937 -10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.054 -8.283 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.198 -9.511 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.580 -10.565 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.466 -10.280 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.168 -8.555 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.143 -8.520 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.808 -10.084 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.463 -8.596 -9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.692 -8.882 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.379 -7.450 -10.468 1.00 0.00 H new ATOM 1863 N ASP A 118 9.111 -5.533 -10.756 1.00 0.00 N ATOM 1864 CA ASP A 118 9.126 -4.373 -11.642 1.00 0.00 C ATOM 1865 C ASP A 118 8.193 -4.592 -12.827 1.00 0.00 C ATOM 1866 O ASP A 118 7.581 -3.651 -13.332 1.00 0.00 O ATOM 1867 CB ASP A 118 10.542 -4.080 -12.138 1.00 0.00 C ATOM 1868 CG ASP A 118 11.578 -4.172 -11.034 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.932 -5.306 -10.644 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.035 -3.112 -10.557 1.00 0.00 O ATOM 0 H ASP A 118 10.031 -5.921 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 118 8.776 -3.513 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.798 -4.783 -12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.570 -3.082 -12.576 1.00 0.00 H new ATOM 1875 N ASP A 119 8.077 -5.846 -13.252 1.00 0.00 N ATOM 1876 CA ASP A 119 7.205 -6.197 -14.363 1.00 0.00 C ATOM 1877 C ASP A 119 5.759 -6.278 -13.887 1.00 0.00 C ATOM 1878 O ASP A 119 4.825 -6.037 -14.651 1.00 0.00 O ATOM 1879 CB ASP A 119 7.632 -7.532 -14.976 1.00 0.00 C ATOM 1880 CG ASP A 119 7.198 -7.670 -16.422 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.030 -8.046 -16.658 1.00 0.00 O ATOM 1882 OD2 ASP A 119 8.026 -7.404 -17.319 1.00 0.00 O ATOM 0 H ASP A 119 8.577 -6.635 -12.842 1.00 0.00 H new ATOM 0 HA ASP A 119 7.284 -5.423 -15.126 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.716 -7.627 -14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.207 -8.349 -14.393 1.00 0.00 H new ATOM 1887 N GLN A 120 5.587 -6.613 -12.610 1.00 0.00 N ATOM 1888 CA GLN A 120 4.261 -6.718 -12.016 1.00 0.00 C ATOM 1889 C GLN A 120 3.712 -5.343 -11.642 1.00 0.00 C ATOM 1890 O GLN A 120 2.548 -5.214 -11.268 1.00 0.00 O ATOM 1891 CB GLN A 120 4.307 -7.602 -10.771 1.00 0.00 C ATOM 1892 CG GLN A 120 4.630 -9.059 -11.059 1.00 0.00 C ATOM 1893 CD GLN A 120 4.528 -9.921 -9.816 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.393 -9.837 -9.134 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.457 -10.653 -9.475 1.00 0.00 N flip ATOM 0 H GLN A 120 6.353 -6.816 -11.968 1.00 0.00 H new ATOM 0 HA GLN A 120 3.600 -7.166 -12.758 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.053 -7.204 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.344 -7.547 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.947 -9.438 -11.820 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.637 -9.133 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.312 -10.685 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.372 -11.228 -8.637 1.00 0.00 H new ATOM 1904 N LEU A 121 4.559 -4.320 -11.738 1.00 0.00 N ATOM 1905 CA LEU A 121 4.154 -2.960 -11.401 1.00 0.00 C ATOM 1906 C LEU A 121 2.940 -2.533 -12.214 1.00 0.00 C ATOM 1907 O LEU A 121 3.071 -1.954 -13.293 1.00 0.00 O ATOM 1908 CB LEU A 121 5.309 -1.985 -11.637 1.00 0.00 C ATOM 1909 CG LEU A 121 6.482 -2.135 -10.670 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.679 -1.326 -11.150 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.073 -1.711 -9.264 1.00 0.00 C ATOM 0 H LEU A 121 5.527 -4.408 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 121 3.884 -2.943 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.676 -2.118 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.926 -0.967 -11.567 1.00 0.00 H new ATOM 0 HG LEU A 121 6.771 -3.185 -10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.504 -1.446 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.986 -1.679 -12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.405 -0.273 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.921 -1.825 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.756 -0.668 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.249 -2.337 -8.920 1.00 0.00 H new ATOM 1923 N LYS A 122 1.759 -2.826 -11.688 1.00 0.00 N ATOM 1924 CA LYS A 122 0.516 -2.477 -12.360 1.00 0.00 C ATOM 1925 C LYS A 122 -0.142 -1.277 -11.690 1.00 0.00 C ATOM 1926 O LYS A 122 -1.086 -1.426 -10.915 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.440 -3.672 -12.362 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.400 -4.472 -13.653 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.033 -3.704 -14.802 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.284 -3.929 -16.105 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.195 -3.893 -17.284 1.00 0.00 N ATOM 0 H LYS A 122 1.636 -3.305 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 122 0.748 -2.210 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.191 -4.329 -11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.456 -3.315 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.634 -4.714 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.924 -5.418 -13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.071 -4.015 -14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.044 -2.640 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.486 -3.165 -16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.225 -4.892 -16.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.645 -4.051 -18.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.914 -4.638 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.662 -2.965 -17.334 1.00 0.00 H new ATOM 1945 N VAL A 123 0.362 -0.084 -11.993 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.176 1.143 -11.419 1.00 0.00 C ATOM 1947 C VAL A 123 -1.293 1.712 -12.288 1.00 0.00 C ATOM 1948 O VAL A 123 -1.055 2.156 -13.411 1.00 0.00 O ATOM 1949 CB VAL A 123 0.904 2.215 -11.226 1.00 0.00 C ATOM 1950 CG1 VAL A 123 0.740 2.905 -9.880 1.00 0.00 C ATOM 1951 CG2 VAL A 123 2.306 1.634 -11.364 1.00 0.00 C ATOM 0 H VAL A 123 1.143 0.058 -12.634 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.574 0.874 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 123 0.776 2.955 -12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.516 3.662 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.240 3.379 -9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.827 2.169 -9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.043 2.424 -11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.454 0.859 -10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.425 1.203 -12.358 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.513 1.692 -11.760 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.669 2.203 -12.487 1.00 0.00 C ATOM 1963 C HIS A 124 -4.253 3.436 -11.802 1.00 0.00 C ATOM 1964 O HIS A 124 -5.343 3.383 -11.232 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.743 1.120 -12.598 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.241 -0.165 -13.182 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.412 -0.506 -14.507 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.570 -1.194 -12.613 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.869 -1.691 -14.726 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.352 -2.129 -13.594 1.00 0.00 N ATOM 0 H HIS A 124 -2.726 1.327 -10.832 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.336 2.489 -13.485 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.153 0.923 -11.607 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.562 1.494 -13.213 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.883 0.066 -15.208 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.263 -1.266 -11.580 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.852 -2.212 -15.672 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.528 4.550 -11.868 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.004 5.776 -11.254 1.00 0.00 C ATOM 1981 C GLY A 125 -5.399 6.148 -11.721 1.00 0.00 C ATOM 1982 O GLY A 125 -5.629 6.342 -12.915 1.00 0.00 O ATOM 0 H GLY A 125 -2.624 4.625 -12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.004 5.661 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.316 6.588 -11.488 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.333 6.241 -10.778 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.719 6.583 -11.092 1.00 0.00 C ATOM 1988 C PHE A 126 -7.798 7.740 -12.090 1.00 0.00 C ATOM 1989 O PHE A 126 -8.843 7.872 -12.760 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.479 6.939 -9.808 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.236 8.342 -9.327 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.950 8.857 -9.276 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.292 9.145 -8.931 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -6.724 10.148 -8.839 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.072 10.438 -8.493 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.786 10.939 -8.448 1.00 0.00 C ATOM 1997 OXT PHE A 126 -6.813 8.501 -12.189 1.00 0.00 O ATOM 0 H PHE A 126 -6.155 6.084 -9.786 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.183 5.711 -11.554 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.547 6.804 -9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.192 6.241 -9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.116 8.243 -9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.299 8.757 -8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.718 10.538 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.904 11.055 -8.187 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.611 11.949 -8.107 1.00 0.00 H new