USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 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 68 THR OG1 : rot 180:sc= 0.0074 USER MOD Set 1.2: A 71 ASN : amide:sc= -9.24! C(o=-9.2!,f=-12!) USER MOD Set 2.1: A 53 TYR OH : rot -137:sc= 1.02 USER MOD Set 2.2: A 111 HIS : no HD1:sc= 1.12 K(o=2.1,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.646) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 93:sc= 1.18 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -1.01 (180deg=-1.05) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.869! (180deg=-2.23!) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.139 (180deg=-0.756) USER MOD Single : A 76 MET CE :methyl -163:sc= -2.48 (180deg=-2.71) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 1.18 (180deg=1.06) USER MOD Single : A 79 SER OG : rot 66:sc= 0.901 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00645 USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 2.32 (180deg=2) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0345) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 0.543 F(o=-0.00013,f=0.54) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.15) USER MOD Single : A 116 LYS NZ :NH3+ 149:sc= 0.755 (180deg=-0.0152) USER MOD Single : A 120 HIS : no HE2:sc= -0.804 K(o=-0.8,f=-3.1) USER MOD Single : A 129 HIS : no HD1:sc=-0.00267 X(o=-0.0027,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.356 0.674 -3.780 1.00 0.83 N ATOM 588 CA VAL A 45 -4.037 1.687 -4.779 1.00 0.83 C ATOM 589 C VAL A 45 -2.627 1.492 -5.376 1.00 0.65 C ATOM 590 O VAL A 45 -2.284 2.091 -6.380 1.00 0.73 O ATOM 591 CB VAL A 45 -4.145 3.098 -4.147 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.082 4.183 -5.212 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.425 3.231 -3.328 1.00 1.20 C ATOM 0 HA VAL A 45 -4.756 1.584 -5.592 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.293 3.227 -3.479 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.160 5.162 -4.739 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.135 4.113 -5.747 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -4.906 4.052 -5.914 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.478 4.230 -2.895 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.288 3.069 -3.973 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.425 2.489 -2.530 1.00 1.20 H new ATOM 603 N VAL A 46 -1.807 0.643 -4.776 1.00 0.48 N ATOM 604 CA VAL A 46 -0.476 0.396 -5.316 1.00 0.34 C ATOM 605 C VAL A 46 -0.523 -0.594 -6.477 1.00 0.33 C ATOM 606 O VAL A 46 0.383 -0.635 -7.304 1.00 0.40 O ATOM 607 CB VAL A 46 0.530 -0.056 -4.206 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.606 -0.983 -4.741 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.181 1.172 -3.586 1.00 0.53 C ATOM 0 H VAL A 46 -2.032 0.121 -3.929 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.105 1.342 -5.710 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.035 -0.611 -3.457 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.278 -1.267 -3.931 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.142 -1.877 -5.158 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.172 -0.472 -5.519 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.883 0.860 -2.812 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.714 1.729 -4.356 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.413 1.807 -3.145 1.00 0.53 H new ATOM 619 N GLY A 47 -1.610 -1.338 -6.595 1.00 0.42 N ATOM 620 CA GLY A 47 -1.735 -2.255 -7.711 1.00 0.54 C ATOM 621 C GLY A 47 -1.796 -1.519 -9.041 1.00 0.56 C ATOM 622 O GLY A 47 -1.581 -2.110 -10.100 1.00 0.72 O ATOM 0 H GLY A 47 -2.399 -1.326 -5.949 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.889 -2.942 -7.714 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.635 -2.858 -7.587 1.00 0.54 H new ATOM 626 N LYS A 48 -2.083 -0.222 -8.975 1.00 0.49 N ATOM 627 CA LYS A 48 -2.107 0.619 -10.158 1.00 0.60 C ATOM 628 C LYS A 48 -0.905 1.557 -10.217 1.00 0.54 C ATOM 629 O LYS A 48 -0.448 1.920 -11.301 1.00 0.67 O ATOM 630 CB LYS A 48 -3.379 1.453 -10.174 1.00 0.76 C ATOM 631 CG LYS A 48 -3.678 2.160 -8.865 1.00 0.94 C ATOM 632 CD LYS A 48 -4.839 3.129 -9.007 1.00 1.43 C ATOM 633 CE LYS A 48 -4.497 4.244 -9.979 1.00 2.26 C ATOM 634 NZ LYS A 48 -5.625 5.192 -10.164 1.00 2.97 N ATOM 0 H LYS A 48 -2.303 0.267 -8.108 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.071 -0.041 -11.024 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.302 2.198 -10.966 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.220 0.807 -10.425 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.911 1.422 -8.097 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.792 2.699 -8.531 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.723 2.595 -9.356 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.086 3.553 -8.033 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -3.625 4.787 -9.615 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -4.225 3.813 -10.943 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -5.347 5.936 -10.835 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -6.451 4.681 -10.536 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -5.869 5.624 -9.250 1.00 2.97 H new ATOM 648 N ASP A 49 -0.390 1.937 -9.055 1.00 0.45 N ATOM 649 CA ASP A 49 0.696 2.915 -8.984 1.00 0.50 C ATOM 650 C ASP A 49 2.052 2.220 -9.053 1.00 0.40 C ATOM 651 O ASP A 49 3.090 2.863 -9.236 1.00 0.40 O ATOM 652 CB ASP A 49 0.610 3.718 -7.685 1.00 0.68 C ATOM 653 CG ASP A 49 -0.634 4.579 -7.568 1.00 1.09 C ATOM 654 OD1 ASP A 49 -1.315 4.806 -8.589 1.00 1.58 O ATOM 655 OD2 ASP A 49 -0.930 5.033 -6.438 1.00 1.83 O ATOM 0 H ASP A 49 -0.703 1.586 -8.150 1.00 0.45 H new ATOM 0 HA ASP A 49 0.594 3.589 -9.834 1.00 0.50 H new ATOM 0 HB2 ASP A 49 0.642 3.028 -6.842 1.00 0.68 H new ATOM 0 HB3 ASP A 49 1.489 4.357 -7.607 1.00 0.68 H new ATOM 660 N LYS A 50 2.018 0.899 -8.920 1.00 0.37 N ATOM 661 CA LYS A 50 3.209 0.064 -8.856 1.00 0.35 C ATOM 662 C LYS A 50 4.193 0.363 -9.990 1.00 0.35 C ATOM 663 O LYS A 50 5.365 0.585 -9.721 1.00 0.35 O ATOM 664 CB LYS A 50 2.827 -1.416 -8.884 1.00 0.39 C ATOM 665 CG LYS A 50 3.945 -2.321 -8.411 1.00 0.48 C ATOM 666 CD LYS A 50 3.592 -3.781 -8.605 1.00 0.63 C ATOM 667 CE LYS A 50 4.686 -4.684 -8.071 1.00 0.80 C ATOM 668 NZ LYS A 50 6.002 -4.400 -8.706 1.00 1.13 N ATOM 0 H LYS A 50 1.148 0.371 -8.853 1.00 0.37 H new ATOM 0 HA LYS A 50 3.707 0.298 -7.915 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.950 -1.572 -8.256 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.546 -1.695 -9.900 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.859 -2.090 -8.958 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.148 -2.131 -7.357 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.654 -4.002 -8.096 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.435 -3.982 -9.665 1.00 0.63 H new ATOM 0 HE2 LYS A 50 4.769 -4.555 -6.992 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.415 -5.725 -8.247 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.657 -5.185 -8.513 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.877 -4.298 -9.733 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 6.393 -3.519 -8.316 1.00 1.13 H new ATOM 682 N PRO A 51 3.744 0.374 -11.275 1.00 0.39 N ATOM 683 CA PRO A 51 4.631 0.610 -12.426 1.00 0.43 C ATOM 684 C PRO A 51 5.508 1.853 -12.285 1.00 0.37 C ATOM 685 O PRO A 51 6.657 1.855 -12.716 1.00 0.36 O ATOM 686 CB PRO A 51 3.676 0.775 -13.616 1.00 0.56 C ATOM 687 CG PRO A 51 2.309 0.873 -13.032 1.00 0.55 C ATOM 688 CD PRO A 51 2.361 0.138 -11.727 1.00 0.45 C ATOM 0 HA PRO A 51 5.336 -0.214 -12.533 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.920 1.668 -14.192 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.750 -0.073 -14.297 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.023 1.914 -12.882 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.568 0.432 -13.699 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.631 0.525 -11.016 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.152 -0.924 -11.852 1.00 0.45 H new ATOM 696 N THR A 52 4.978 2.898 -11.671 1.00 0.36 N ATOM 697 CA THR A 52 5.713 4.138 -11.520 1.00 0.36 C ATOM 698 C THR A 52 6.820 3.975 -10.483 1.00 0.29 C ATOM 699 O THR A 52 7.954 4.429 -10.660 1.00 0.32 O ATOM 700 CB THR A 52 4.762 5.272 -11.110 1.00 0.44 C ATOM 701 OG1 THR A 52 3.746 5.417 -12.112 1.00 0.60 O ATOM 702 CG2 THR A 52 5.505 6.590 -10.934 1.00 0.50 C ATOM 0 H THR A 52 4.040 2.910 -11.269 1.00 0.36 H new ATOM 0 HA THR A 52 6.168 4.392 -12.477 1.00 0.36 H new ATOM 0 HB THR A 52 4.312 5.015 -10.151 1.00 0.44 H new ATOM 0 HG1 THR A 52 3.134 6.138 -11.856 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.800 7.369 -10.644 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.263 6.480 -10.159 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.984 6.866 -11.873 1.00 0.50 H new ATOM 710 N TYR A 53 6.497 3.280 -9.417 1.00 0.25 N ATOM 711 CA TYR A 53 7.457 3.070 -8.352 1.00 0.24 C ATOM 712 C TYR A 53 8.453 2.001 -8.777 1.00 0.22 C ATOM 713 O TYR A 53 9.590 1.955 -8.313 1.00 0.24 O ATOM 714 CB TYR A 53 6.726 2.610 -7.103 1.00 0.27 C ATOM 715 CG TYR A 53 5.525 3.449 -6.736 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.550 4.831 -6.826 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.360 2.847 -6.291 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.447 5.590 -6.484 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.260 3.592 -5.944 1.00 0.68 C ATOM 720 CZ TYR A 53 3.305 4.962 -6.040 1.00 0.62 C ATOM 721 OH TYR A 53 2.203 5.703 -5.684 1.00 0.79 O ATOM 0 H TYR A 53 5.584 2.852 -9.262 1.00 0.25 H new ATOM 0 HA TYR A 53 7.986 4.000 -8.145 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.403 1.579 -7.245 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.425 2.613 -6.266 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.447 5.324 -7.170 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.316 1.771 -6.215 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.480 6.666 -6.564 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.362 3.103 -5.597 1.00 0.68 H new ATOM 0 HH TYR A 53 1.823 5.346 -4.854 1.00 0.79 H new ATOM 731 N ASP A 54 8.007 1.169 -9.704 1.00 0.21 N ATOM 732 CA ASP A 54 8.815 0.089 -10.253 1.00 0.23 C ATOM 733 C ASP A 54 9.769 0.617 -11.329 1.00 0.22 C ATOM 734 O ASP A 54 10.892 0.133 -11.474 1.00 0.23 O ATOM 735 CB ASP A 54 7.873 -0.975 -10.831 1.00 0.31 C ATOM 736 CG ASP A 54 8.583 -2.080 -11.578 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.851 -1.901 -12.783 1.00 1.16 O ATOM 738 OD2 ASP A 54 8.918 -3.107 -10.947 1.00 1.14 O ATOM 0 H ASP A 54 7.069 1.223 -10.100 1.00 0.21 H new ATOM 0 HA ASP A 54 9.427 -0.351 -9.466 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.293 -1.413 -10.018 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.164 -0.492 -11.504 1.00 0.31 H new ATOM 743 N GLU A 55 9.331 1.631 -12.067 1.00 0.24 N ATOM 744 CA GLU A 55 10.191 2.247 -13.071 1.00 0.28 C ATOM 745 C GLU A 55 11.310 3.005 -12.386 1.00 0.29 C ATOM 746 O GLU A 55 12.439 3.011 -12.865 1.00 0.35 O ATOM 747 CB GLU A 55 9.391 3.161 -14.014 1.00 0.35 C ATOM 748 CG GLU A 55 8.806 4.395 -13.353 1.00 0.40 C ATOM 749 CD GLU A 55 7.982 5.235 -14.308 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.572 5.969 -15.127 1.00 1.38 O ATOM 751 OE2 GLU A 55 6.739 5.162 -14.245 1.00 1.63 O ATOM 0 H GLU A 55 8.399 2.039 -11.991 1.00 0.24 H new ATOM 0 HA GLU A 55 10.626 1.460 -13.688 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.041 3.476 -14.831 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.580 2.583 -14.457 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.182 4.091 -12.512 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.615 5.002 -12.946 1.00 0.40 H new ATOM 758 N ILE A 56 11.013 3.619 -11.245 1.00 0.27 N ATOM 759 CA ILE A 56 12.055 4.263 -10.460 1.00 0.30 C ATOM 760 C ILE A 56 12.932 3.189 -9.808 1.00 0.27 C ATOM 761 O ILE A 56 14.132 3.372 -9.615 1.00 0.30 O ATOM 762 CB ILE A 56 11.455 5.202 -9.392 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.454 6.158 -10.047 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.556 5.990 -8.693 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.635 6.950 -9.054 1.00 0.61 C ATOM 0 H ILE A 56 10.075 3.683 -10.850 1.00 0.27 H new ATOM 0 HA ILE A 56 12.666 4.877 -11.123 1.00 0.30 H new ATOM 0 HB ILE A 56 10.938 4.600 -8.645 1.00 0.34 H new ATOM 0 HG12 ILE A 56 10.994 6.850 -10.693 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.781 5.585 -10.685 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.114 6.646 -7.944 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.246 5.299 -8.209 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.097 6.589 -9.426 1.00 0.36 H new ATOM 0 HD11 ILE A 56 8.948 7.605 -9.589 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.067 6.266 -8.424 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.299 7.550 -8.432 1.00 0.61 H new ATOM 777 N PHE A 57 12.313 2.046 -9.531 1.00 0.24 N ATOM 778 CA PHE A 57 12.989 0.892 -8.949 1.00 0.22 C ATOM 779 C PHE A 57 14.095 0.367 -9.867 1.00 0.24 C ATOM 780 O PHE A 57 15.260 0.300 -9.469 1.00 0.32 O ATOM 781 CB PHE A 57 11.947 -0.195 -8.672 1.00 0.20 C ATOM 782 CG PHE A 57 12.506 -1.515 -8.226 1.00 0.19 C ATOM 783 CD1 PHE A 57 13.051 -1.659 -6.962 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.469 -2.614 -9.070 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.551 -2.877 -6.548 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.967 -3.833 -8.658 1.00 0.88 C ATOM 787 CZ PHE A 57 13.506 -3.964 -7.397 1.00 0.28 C ATOM 0 H PHE A 57 11.320 1.893 -9.706 1.00 0.24 H new ATOM 0 HA PHE A 57 13.469 1.190 -8.017 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.261 0.168 -7.907 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.361 -0.354 -9.577 1.00 0.20 H new ATOM 0 HD1 PHE A 57 13.085 -0.811 -6.294 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.047 -2.515 -10.059 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.977 -2.979 -5.561 1.00 0.83 H new ATOM 0 HE2 PHE A 57 12.934 -4.683 -9.323 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.894 -4.918 -7.073 1.00 0.28 H new ATOM 797 N TYR A 58 13.738 0.008 -11.098 1.00 0.26 N ATOM 798 CA TYR A 58 14.721 -0.476 -12.069 1.00 0.29 C ATOM 799 C TYR A 58 15.734 0.621 -12.415 1.00 0.33 C ATOM 800 O TYR A 58 16.846 0.340 -12.861 1.00 0.37 O ATOM 801 CB TYR A 58 14.033 -0.963 -13.348 1.00 0.33 C ATOM 802 CG TYR A 58 13.408 -2.344 -13.242 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.177 -2.522 -12.619 1.00 1.00 C ATOM 804 CD2 TYR A 58 14.055 -3.465 -13.742 1.00 0.88 C ATOM 805 CE1 TYR A 58 11.609 -3.780 -12.503 1.00 1.03 C ATOM 806 CE2 TYR A 58 13.495 -4.725 -13.628 1.00 0.92 C ATOM 807 CZ TYR A 58 12.253 -4.875 -13.085 1.00 0.50 C ATOM 808 OH TYR A 58 11.720 -6.140 -12.882 1.00 0.61 O ATOM 0 H TYR A 58 12.780 0.042 -11.447 1.00 0.26 H new ATOM 0 HA TYR A 58 15.249 -1.313 -11.612 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.258 -0.248 -13.623 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.763 -0.970 -14.158 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.655 -1.665 -12.219 1.00 1.00 H new ATOM 0 HD2 TYR A 58 15.012 -3.352 -14.229 1.00 0.88 H new ATOM 0 HE1 TYR A 58 10.680 -3.913 -11.969 1.00 1.03 H new ATOM 0 HE2 TYR A 58 14.042 -5.591 -13.970 1.00 0.92 H new ATOM 0 HH TYR A 58 12.270 -6.805 -13.346 1.00 0.61 H new ATOM 818 N THR A 59 15.337 1.865 -12.197 1.00 0.33 N ATOM 819 CA THR A 59 16.180 3.017 -12.479 1.00 0.38 C ATOM 820 C THR A 59 17.315 3.149 -11.453 1.00 0.38 C ATOM 821 O THR A 59 18.425 3.580 -11.789 1.00 0.44 O ATOM 822 CB THR A 59 15.311 4.294 -12.518 1.00 0.40 C ATOM 823 OG1 THR A 59 14.502 4.286 -13.696 1.00 0.44 O ATOM 824 CG2 THR A 59 16.144 5.558 -12.492 1.00 0.44 C ATOM 0 H THR A 59 14.420 2.105 -11.819 1.00 0.33 H new ATOM 0 HA THR A 59 16.649 2.876 -13.453 1.00 0.38 H new ATOM 0 HB THR A 59 14.687 4.291 -11.625 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.631 3.887 -13.492 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.487 6.427 -12.521 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.739 5.583 -11.579 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.807 5.575 -13.357 1.00 0.44 H new ATOM 832 N LEU A 60 17.055 2.738 -10.218 1.00 0.33 N ATOM 833 CA LEU A 60 18.052 2.835 -9.156 1.00 0.35 C ATOM 834 C LEU A 60 18.991 1.628 -9.165 1.00 0.36 C ATOM 835 O LEU A 60 19.893 1.528 -8.331 1.00 0.45 O ATOM 836 CB LEU A 60 17.374 2.962 -7.793 1.00 0.35 C ATOM 837 CG LEU A 60 16.527 4.216 -7.597 1.00 0.49 C ATOM 838 CD1 LEU A 60 16.009 4.268 -6.173 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.333 5.468 -7.915 1.00 0.76 C ATOM 0 H LEU A 60 16.165 2.335 -9.926 1.00 0.33 H new ATOM 0 HA LEU A 60 18.646 3.730 -9.340 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.740 2.089 -7.639 1.00 0.35 H new ATOM 0 HB3 LEU A 60 18.143 2.939 -7.020 1.00 0.35 H new ATOM 0 HG LEU A 60 15.681 4.176 -8.283 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.405 5.165 -6.038 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.399 3.387 -5.975 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.850 4.290 -5.480 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.709 6.350 -7.768 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.198 5.522 -7.254 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.670 5.430 -8.951 1.00 0.76 H new ATOM 851 N SER A 61 18.768 0.732 -10.126 1.00 0.33 N ATOM 852 CA SER A 61 19.578 -0.475 -10.303 1.00 0.36 C ATOM 853 C SER A 61 19.318 -1.484 -9.180 1.00 0.33 C ATOM 854 O SER A 61 20.012 -1.502 -8.162 1.00 0.37 O ATOM 855 CB SER A 61 21.075 -0.134 -10.401 1.00 0.45 C ATOM 856 OG SER A 61 21.848 -1.280 -10.718 1.00 0.64 O ATOM 0 H SER A 61 18.016 0.823 -10.809 1.00 0.33 H new ATOM 0 HA SER A 61 19.280 -0.936 -11.244 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.226 0.631 -11.163 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.416 0.287 -9.455 1.00 0.45 H new ATOM 0 HG SER A 61 22.794 -1.031 -10.775 1.00 0.64 H new ATOM 862 N PRO A 62 18.278 -2.319 -9.351 1.00 0.29 N ATOM 863 CA PRO A 62 17.928 -3.349 -8.382 1.00 0.31 C ATOM 864 C PRO A 62 18.776 -4.608 -8.531 1.00 0.32 C ATOM 865 O PRO A 62 18.815 -5.227 -9.596 1.00 0.46 O ATOM 866 CB PRO A 62 16.468 -3.646 -8.710 1.00 0.37 C ATOM 867 CG PRO A 62 16.322 -3.346 -10.166 1.00 0.36 C ATOM 868 CD PRO A 62 17.352 -2.301 -10.499 1.00 0.29 C ATOM 0 HA PRO A 62 18.097 -3.021 -7.356 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.220 -4.686 -8.496 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.797 -3.029 -8.112 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.476 -4.245 -10.763 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.318 -2.984 -10.388 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.869 -2.535 -11.430 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.895 -1.319 -10.626 1.00 0.29 H new ATOM 876 N VAL A 63 19.434 -4.999 -7.456 1.00 0.33 N ATOM 877 CA VAL A 63 20.286 -6.175 -7.473 1.00 0.42 C ATOM 878 C VAL A 63 19.466 -7.417 -7.158 1.00 0.44 C ATOM 879 O VAL A 63 18.996 -7.576 -6.038 1.00 0.45 O ATOM 880 CB VAL A 63 21.447 -6.058 -6.458 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.315 -7.310 -6.472 1.00 1.33 C ATOM 882 CG2 VAL A 63 22.275 -4.815 -6.736 1.00 1.28 C ATOM 0 H VAL A 63 19.395 -4.518 -6.557 1.00 0.33 H new ATOM 0 HA VAL A 63 20.714 -6.254 -8.472 1.00 0.42 H new ATOM 0 HB VAL A 63 21.019 -5.965 -5.460 1.00 0.58 H new ATOM 0 HG11 VAL A 63 23.123 -7.200 -5.749 1.00 1.33 H new ATOM 0 HG12 VAL A 63 21.708 -8.176 -6.209 1.00 1.33 H new ATOM 0 HG13 VAL A 63 22.735 -7.450 -7.468 1.00 1.33 H new ATOM 0 HG21 VAL A 63 23.087 -4.749 -6.012 1.00 1.28 H new ATOM 0 HG22 VAL A 63 22.690 -4.872 -7.742 1.00 1.28 H new ATOM 0 HG23 VAL A 63 21.643 -3.931 -6.653 1.00 1.28 H new ATOM 892 N ASN A 64 19.264 -8.267 -8.164 1.00 0.54 N ATOM 893 CA ASN A 64 18.509 -9.518 -7.993 1.00 0.63 C ATOM 894 C ASN A 64 17.040 -9.243 -7.676 1.00 0.55 C ATOM 895 O ASN A 64 16.360 -10.069 -7.070 1.00 0.60 O ATOM 896 CB ASN A 64 19.128 -10.401 -6.896 1.00 0.71 C ATOM 897 CG ASN A 64 20.298 -11.239 -7.387 1.00 1.08 C ATOM 898 OD1 ASN A 64 20.993 -10.768 -8.410 1.00 1.42 O flip ATOM 899 ND2 ASN A 64 20.568 -12.314 -6.855 1.00 1.67 N flip ATOM 0 H ASN A 64 19.612 -8.116 -9.111 1.00 0.54 H new ATOM 0 HA ASN A 64 18.563 -10.055 -8.940 1.00 0.63 H new ATOM 0 HB2 ASN A 64 19.463 -9.767 -6.075 1.00 0.71 H new ATOM 0 HB3 ASN A 64 18.360 -11.062 -6.495 1.00 0.71 H new ATOM 0 HD21 ASN A 64 20.011 -12.648 -6.068 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.349 -12.872 -7.201 1.00 1.67 H new ATOM 906 N GLY A 65 16.563 -8.068 -8.070 1.00 0.49 N ATOM 907 CA GLY A 65 15.141 -7.778 -8.009 1.00 0.50 C ATOM 908 C GLY A 65 14.720 -7.083 -6.734 1.00 0.39 C ATOM 909 O GLY A 65 13.587 -7.239 -6.287 1.00 0.49 O ATOM 0 H GLY A 65 17.138 -7.307 -8.432 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.869 -7.154 -8.860 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.584 -8.710 -8.106 1.00 0.50 H new ATOM 913 N LYS A 66 15.633 -6.338 -6.132 1.00 0.33 N ATOM 914 CA LYS A 66 15.298 -5.498 -4.990 1.00 0.26 C ATOM 915 C LYS A 66 16.412 -4.494 -4.762 1.00 0.21 C ATOM 916 O LYS A 66 17.576 -4.779 -5.049 1.00 0.27 O ATOM 917 CB LYS A 66 15.031 -6.329 -3.715 1.00 0.30 C ATOM 918 CG LYS A 66 16.261 -6.921 -3.044 1.00 0.75 C ATOM 919 CD LYS A 66 16.994 -7.910 -3.934 1.00 0.61 C ATOM 920 CE LYS A 66 16.455 -9.336 -3.835 1.00 1.21 C ATOM 921 NZ LYS A 66 15.144 -9.526 -4.516 1.00 1.82 N ATOM 0 H LYS A 66 16.612 -6.297 -6.414 1.00 0.33 H new ATOM 0 HA LYS A 66 14.372 -4.969 -5.214 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.515 -5.697 -2.993 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.352 -7.142 -3.969 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.941 -6.116 -2.765 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.962 -7.420 -2.122 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.925 -7.575 -4.969 1.00 0.61 H new ATOM 0 HD3 LYS A 66 18.051 -7.911 -3.669 1.00 0.61 H new ATOM 0 HE2 LYS A 66 17.183 -10.022 -4.269 1.00 1.21 H new ATOM 0 HE3 LYS A 66 16.351 -9.604 -2.784 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.862 -10.525 -4.454 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 14.424 -8.934 -4.055 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 15.229 -9.252 -5.516 1.00 1.82 H new ATOM 935 N ILE A 67 16.058 -3.315 -4.288 1.00 0.18 N ATOM 936 CA ILE A 67 17.053 -2.290 -4.033 1.00 0.20 C ATOM 937 C ILE A 67 17.627 -2.447 -2.650 1.00 0.19 C ATOM 938 O ILE A 67 16.900 -2.717 -1.695 1.00 0.21 O ATOM 939 CB ILE A 67 16.490 -0.860 -4.182 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.145 -0.736 -3.461 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.360 -0.505 -5.660 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.407 0.548 -3.753 1.00 0.35 C ATOM 0 H ILE A 67 15.098 -3.044 -4.073 1.00 0.18 H new ATOM 0 HA ILE A 67 17.831 -2.424 -4.785 1.00 0.20 H new ATOM 0 HB ILE A 67 17.180 -0.154 -3.720 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.514 -1.578 -3.744 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.312 -0.810 -2.386 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.962 0.505 -5.758 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.340 -0.557 -6.134 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.685 -1.210 -6.145 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.465 0.559 -3.205 1.00 0.35 H new ATOM 0 HD12 ILE A 67 15.017 1.397 -3.443 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.206 0.617 -4.822 1.00 0.35 H new ATOM 954 N THR A 68 18.935 -2.301 -2.561 1.00 0.24 N ATOM 955 CA THR A 68 19.597 -2.223 -1.284 1.00 0.30 C ATOM 956 C THR A 68 19.041 -1.021 -0.548 1.00 0.36 C ATOM 957 O THR A 68 19.050 0.086 -1.082 1.00 0.70 O ATOM 958 CB THR A 68 21.121 -2.090 -1.463 1.00 0.44 C ATOM 959 OG1 THR A 68 21.417 -1.125 -2.485 1.00 0.65 O ATOM 960 CG2 THR A 68 21.730 -3.427 -1.843 1.00 0.55 C ATOM 0 H THR A 68 19.558 -2.234 -3.366 1.00 0.24 H new ATOM 0 HA THR A 68 19.417 -3.134 -0.713 1.00 0.30 H new ATOM 0 HB THR A 68 21.549 -1.759 -0.517 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.388 -1.047 -2.590 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.807 -3.314 -1.965 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.528 -4.155 -1.057 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.293 -3.773 -2.780 1.00 0.55 H new ATOM 968 N GLY A 69 18.529 -1.245 0.651 1.00 0.29 N ATOM 969 CA GLY A 69 17.754 -0.230 1.342 1.00 0.31 C ATOM 970 C GLY A 69 18.386 1.146 1.337 1.00 0.31 C ATOM 971 O GLY A 69 17.679 2.143 1.328 1.00 0.38 O ATOM 0 H GLY A 69 18.636 -2.120 1.165 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.768 -0.166 0.882 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.604 -0.544 2.375 1.00 0.31 H new ATOM 975 N ALA A 70 19.713 1.186 1.339 1.00 0.33 N ATOM 976 CA ALA A 70 20.463 2.437 1.205 1.00 0.37 C ATOM 977 C ALA A 70 19.886 3.347 0.117 1.00 0.35 C ATOM 978 O ALA A 70 19.583 4.500 0.391 1.00 0.39 O ATOM 979 CB ALA A 70 21.921 2.137 0.909 1.00 0.44 C ATOM 0 H ALA A 70 20.301 0.358 1.433 1.00 0.33 H new ATOM 0 HA ALA A 70 20.379 2.969 2.152 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.472 3.072 0.811 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.344 1.550 1.724 1.00 0.44 H new ATOM 0 HB3 ALA A 70 21.995 1.573 -0.021 1.00 0.44 H new ATOM 985 N ASN A 71 19.690 2.827 -1.099 1.00 0.35 N ATOM 986 CA ASN A 71 19.270 3.671 -2.218 1.00 0.37 C ATOM 987 C ASN A 71 17.824 4.116 -2.040 1.00 0.34 C ATOM 988 O ASN A 71 17.446 5.211 -2.453 1.00 0.34 O ATOM 989 CB ASN A 71 19.453 2.976 -3.579 1.00 0.47 C ATOM 990 CG ASN A 71 18.479 1.858 -3.840 1.00 1.01 C ATOM 991 OD1 ASN A 71 17.337 2.089 -4.218 1.00 2.11 O ATOM 992 ND2 ASN A 71 18.951 0.632 -3.687 1.00 1.00 N ATOM 0 H ASN A 71 19.813 1.841 -1.330 1.00 0.35 H new ATOM 0 HA ASN A 71 19.917 4.548 -2.215 1.00 0.37 H new ATOM 0 HB2 ASN A 71 19.355 3.720 -4.370 1.00 0.47 H new ATOM 0 HB3 ASN A 71 20.467 2.580 -3.638 1.00 0.47 H new ATOM 0 HD21 ASN A 71 18.356 -0.172 -3.887 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.910 0.491 -3.369 1.00 1.00 H new ATOM 999 N ALA A 72 17.027 3.278 -1.396 1.00 0.35 N ATOM 1000 CA ALA A 72 15.648 3.626 -1.105 1.00 0.35 C ATOM 1001 C ALA A 72 15.608 4.679 -0.014 1.00 0.31 C ATOM 1002 O ALA A 72 14.724 5.539 0.022 1.00 0.30 O ATOM 1003 CB ALA A 72 14.880 2.393 -0.688 1.00 0.42 C ATOM 0 H ALA A 72 17.311 2.356 -1.066 1.00 0.35 H new ATOM 0 HA ALA A 72 15.180 4.033 -2.001 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.847 2.664 -0.472 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.902 1.661 -1.495 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.337 1.964 0.204 1.00 0.42 H new ATOM 1009 N LYS A 73 16.589 4.607 0.871 1.00 0.31 N ATOM 1010 CA LYS A 73 16.750 5.605 1.911 1.00 0.31 C ATOM 1011 C LYS A 73 17.161 6.923 1.287 1.00 0.29 C ATOM 1012 O LYS A 73 16.738 7.983 1.735 1.00 0.30 O ATOM 1013 CB LYS A 73 17.781 5.166 2.959 1.00 0.37 C ATOM 1014 CG LYS A 73 17.373 3.917 3.720 1.00 0.39 C ATOM 1015 CD LYS A 73 16.006 4.088 4.353 1.00 0.44 C ATOM 1016 CE LYS A 73 16.060 4.969 5.591 1.00 0.85 C ATOM 1017 NZ LYS A 73 14.719 5.182 6.186 1.00 1.69 N ATOM 0 H LYS A 73 17.287 3.864 0.888 1.00 0.31 H new ATOM 0 HA LYS A 73 15.795 5.725 2.423 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.736 4.986 2.465 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.937 5.980 3.668 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.360 3.063 3.043 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.111 3.700 4.493 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.322 4.525 3.626 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.605 3.110 4.620 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.716 4.512 6.332 1.00 0.85 H new ATOM 0 HE3 LYS A 73 16.497 5.933 5.330 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 14.720 6.063 6.738 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 14.010 5.249 5.428 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 14.485 4.383 6.809 1.00 1.69 H new ATOM 1031 N LYS A 74 17.970 6.842 0.238 1.00 0.31 N ATOM 1032 CA LYS A 74 18.365 8.019 -0.517 1.00 0.34 C ATOM 1033 C LYS A 74 17.130 8.699 -1.078 1.00 0.31 C ATOM 1034 O LYS A 74 16.960 9.912 -0.958 1.00 0.33 O ATOM 1035 CB LYS A 74 19.294 7.649 -1.672 1.00 0.44 C ATOM 1036 CG LYS A 74 20.464 6.741 -1.306 1.00 0.83 C ATOM 1037 CD LYS A 74 21.134 7.128 0.007 1.00 1.02 C ATOM 1038 CE LYS A 74 22.092 8.293 -0.155 1.00 0.96 C ATOM 1039 NZ LYS A 74 23.166 8.007 -1.148 1.00 1.35 N ATOM 0 H LYS A 74 18.366 5.968 -0.109 1.00 0.31 H new ATOM 0 HA LYS A 74 18.896 8.691 0.157 1.00 0.34 H new ATOM 0 HB2 LYS A 74 18.705 7.159 -2.447 1.00 0.44 H new ATOM 0 HB3 LYS A 74 19.690 8.567 -2.105 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.110 5.712 -1.237 1.00 0.83 H new ATOM 0 HG3 LYS A 74 21.203 6.770 -2.107 1.00 0.83 H new ATOM 0 HD2 LYS A 74 20.370 7.389 0.739 1.00 1.02 H new ATOM 0 HD3 LYS A 74 21.675 6.269 0.403 1.00 1.02 H new ATOM 0 HE2 LYS A 74 21.536 9.177 -0.468 1.00 0.96 H new ATOM 0 HE3 LYS A 74 22.544 8.526 0.809 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.992 8.606 -0.948 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 23.440 7.006 -1.084 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.816 8.210 -2.106 1.00 1.35 H new ATOM 1053 N GLU A 75 16.282 7.889 -1.697 1.00 0.34 N ATOM 1054 CA GLU A 75 15.013 8.361 -2.271 1.00 0.38 C ATOM 1055 C GLU A 75 14.155 9.094 -1.246 1.00 0.34 C ATOM 1056 O GLU A 75 13.711 10.225 -1.475 1.00 0.38 O ATOM 1057 CB GLU A 75 14.208 7.204 -2.882 1.00 0.47 C ATOM 1058 CG GLU A 75 14.778 6.659 -4.183 1.00 0.62 C ATOM 1059 CD GLU A 75 15.330 7.752 -5.077 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.537 8.578 -5.577 1.00 1.36 O ATOM 1061 OE2 GLU A 75 16.555 7.771 -5.311 1.00 1.48 O ATOM 0 H GLU A 75 16.446 6.890 -1.819 1.00 0.34 H new ATOM 0 HA GLU A 75 15.279 9.065 -3.060 1.00 0.38 H new ATOM 0 HB2 GLU A 75 14.153 6.393 -2.156 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.187 7.542 -3.060 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.569 5.944 -3.958 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.999 6.115 -4.718 1.00 0.62 H new ATOM 1068 N MET A 76 13.916 8.470 -0.114 1.00 0.31 N ATOM 1069 CA MET A 76 13.095 9.099 0.906 1.00 0.32 C ATOM 1070 C MET A 76 13.822 10.293 1.534 1.00 0.31 C ATOM 1071 O MET A 76 13.189 11.257 1.952 1.00 0.36 O ATOM 1072 CB MET A 76 12.665 8.079 1.960 1.00 0.33 C ATOM 1073 CG MET A 76 13.786 7.185 2.430 1.00 0.50 C ATOM 1074 SD MET A 76 13.245 5.976 3.659 1.00 0.65 S ATOM 1075 CE MET A 76 12.146 4.952 2.674 1.00 0.46 C ATOM 0 H MET A 76 14.270 7.544 0.125 1.00 0.31 H new ATOM 0 HA MET A 76 12.191 9.482 0.432 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.250 8.609 2.818 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.866 7.461 1.550 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.211 6.661 1.574 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.581 7.798 2.855 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.510 4.362 3.334 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.524 5.588 2.044 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.736 4.284 2.046 1.00 0.46 H new ATOM 1085 N VAL A 77 15.154 10.241 1.569 1.00 0.30 N ATOM 1086 CA VAL A 77 15.958 11.365 2.051 1.00 0.34 C ATOM 1087 C VAL A 77 15.792 12.584 1.140 1.00 0.37 C ATOM 1088 O VAL A 77 15.579 13.699 1.620 1.00 0.41 O ATOM 1089 CB VAL A 77 17.456 10.984 2.161 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.356 12.211 2.048 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.720 10.254 3.473 1.00 0.42 C ATOM 0 H VAL A 77 15.699 9.433 1.269 1.00 0.30 H new ATOM 0 HA VAL A 77 15.597 11.619 3.048 1.00 0.34 H new ATOM 0 HB VAL A 77 17.693 10.320 1.329 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.399 11.906 2.130 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.193 12.694 1.084 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.119 12.911 2.849 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.776 9.992 3.538 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.455 10.901 4.309 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.118 9.346 3.512 1.00 0.42 H new ATOM 1101 N LYS A 78 15.862 12.367 -0.173 1.00 0.39 N ATOM 1102 CA LYS A 78 15.747 13.462 -1.141 1.00 0.45 C ATOM 1103 C LYS A 78 14.307 13.956 -1.218 1.00 0.48 C ATOM 1104 O LYS A 78 14.030 15.016 -1.773 1.00 0.59 O ATOM 1105 CB LYS A 78 16.235 13.023 -2.519 1.00 0.54 C ATOM 1106 CG LYS A 78 15.376 11.954 -3.157 1.00 0.76 C ATOM 1107 CD LYS A 78 16.000 11.443 -4.433 1.00 0.84 C ATOM 1108 CE LYS A 78 17.313 10.728 -4.161 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.832 10.035 -5.367 1.00 1.20 N ATOM 0 H LYS A 78 15.997 11.447 -0.592 1.00 0.39 H new ATOM 0 HA LYS A 78 16.379 14.283 -0.802 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.267 13.891 -3.177 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.256 12.652 -2.432 1.00 0.54 H new ATOM 0 HG2 LYS A 78 15.240 11.128 -2.459 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.386 12.358 -3.369 1.00 0.76 H new ATOM 0 HD2 LYS A 78 15.309 10.762 -4.930 1.00 0.84 H new ATOM 0 HD3 LYS A 78 16.172 12.276 -5.115 1.00 0.84 H new ATOM 0 HE2 LYS A 78 18.052 11.449 -3.811 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.171 10.003 -3.360 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 18.872 10.067 -5.365 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.516 9.044 -5.361 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 17.473 10.508 -6.221 1.00 1.20 H new ATOM 1123 N SER A 79 13.401 13.160 -0.666 1.00 0.44 N ATOM 1124 CA SER A 79 12.033 13.596 -0.430 1.00 0.51 C ATOM 1125 C SER A 79 12.007 14.713 0.625 1.00 0.55 C ATOM 1126 O SER A 79 10.990 15.387 0.800 1.00 0.64 O ATOM 1127 CB SER A 79 11.175 12.397 -0.046 1.00 0.53 C ATOM 1128 OG SER A 79 11.188 11.412 -1.066 1.00 1.37 O ATOM 0 H SER A 79 13.592 12.202 -0.372 1.00 0.44 H new ATOM 0 HA SER A 79 11.610 14.018 -1.342 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.543 11.966 0.885 1.00 0.53 H new ATOM 0 HB3 SER A 79 10.151 12.722 0.137 1.00 0.53 H new ATOM 0 HG SER A 79 12.089 11.034 -1.144 1.00 1.37 H new ATOM 1134 N LYS A 80 13.142 14.891 1.317 1.00 0.54 N ATOM 1135 CA LYS A 80 13.418 16.079 2.132 1.00 0.61 C ATOM 1136 C LYS A 80 12.584 16.106 3.398 1.00 0.62 C ATOM 1137 O LYS A 80 12.127 17.165 3.837 1.00 0.75 O ATOM 1138 CB LYS A 80 13.203 17.360 1.317 1.00 0.70 C ATOM 1139 CG LYS A 80 14.170 17.488 0.150 1.00 1.01 C ATOM 1140 CD LYS A 80 13.850 18.681 -0.726 1.00 1.31 C ATOM 1141 CE LYS A 80 14.728 18.691 -1.967 1.00 1.94 C ATOM 1142 NZ LYS A 80 14.359 19.780 -2.903 1.00 2.65 N ATOM 0 H LYS A 80 13.899 14.208 1.326 1.00 0.54 H new ATOM 0 HA LYS A 80 14.465 16.027 2.432 1.00 0.61 H new ATOM 0 HB2 LYS A 80 12.181 17.377 0.939 1.00 0.70 H new ATOM 0 HB3 LYS A 80 13.315 18.224 1.972 1.00 0.70 H new ATOM 0 HG2 LYS A 80 15.187 17.581 0.531 1.00 1.01 H new ATOM 0 HG3 LYS A 80 14.136 16.579 -0.450 1.00 1.01 H new ATOM 0 HD2 LYS A 80 12.800 18.652 -1.018 1.00 1.31 H new ATOM 0 HD3 LYS A 80 13.999 19.602 -0.162 1.00 1.31 H new ATOM 0 HE2 LYS A 80 15.771 18.805 -1.672 1.00 1.94 H new ATOM 0 HE3 LYS A 80 14.645 17.731 -2.477 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 14.983 19.749 -3.735 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 13.372 19.658 -3.206 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 14.463 20.698 -2.426 1.00 2.65 H new ATOM 1156 N LEU A 81 12.423 14.945 4.006 1.00 0.66 N ATOM 1157 CA LEU A 81 11.631 14.829 5.218 1.00 0.69 C ATOM 1158 C LEU A 81 12.540 14.736 6.428 1.00 0.73 C ATOM 1159 O LEU A 81 13.711 14.388 6.297 1.00 0.75 O ATOM 1160 CB LEU A 81 10.738 13.587 5.174 1.00 0.70 C ATOM 1161 CG LEU A 81 9.838 13.446 3.942 1.00 0.68 C ATOM 1162 CD1 LEU A 81 9.396 14.804 3.416 1.00 1.16 C ATOM 1163 CD2 LEU A 81 10.538 12.628 2.889 1.00 1.08 C ATOM 0 H LEU A 81 12.830 14.068 3.681 1.00 0.66 H new ATOM 0 HA LEU A 81 11.003 15.717 5.291 1.00 0.69 H new ATOM 0 HB2 LEU A 81 11.375 12.705 5.236 1.00 0.70 H new ATOM 0 HB3 LEU A 81 10.106 13.587 6.062 1.00 0.70 H new ATOM 0 HG LEU A 81 8.928 12.919 4.230 1.00 0.68 H new ATOM 0 HD11 LEU A 81 8.759 14.666 2.542 1.00 1.16 H new ATOM 0 HD12 LEU A 81 8.839 15.331 4.191 1.00 1.16 H new ATOM 0 HD13 LEU A 81 10.272 15.389 3.137 1.00 1.16 H new ATOM 0 HD21 LEU A 81 9.893 12.531 2.015 1.00 1.08 H new ATOM 0 HD22 LEU A 81 11.466 13.122 2.602 1.00 1.08 H new ATOM 0 HD23 LEU A 81 10.762 11.638 3.286 1.00 1.08 H new ATOM 1175 N PRO A 82 12.013 15.045 7.625 1.00 0.78 N ATOM 1176 CA PRO A 82 12.745 14.834 8.865 1.00 0.84 C ATOM 1177 C PRO A 82 12.948 13.348 9.125 1.00 0.75 C ATOM 1178 O PRO A 82 12.156 12.518 8.673 1.00 0.70 O ATOM 1179 CB PRO A 82 11.846 15.450 9.940 1.00 0.95 C ATOM 1180 CG PRO A 82 10.484 15.474 9.336 1.00 0.91 C ATOM 1181 CD PRO A 82 10.679 15.628 7.859 1.00 0.82 C ATOM 0 HA PRO A 82 13.739 15.280 8.843 1.00 0.84 H new ATOM 0 HB2 PRO A 82 11.862 14.857 10.855 1.00 0.95 H new ATOM 0 HB3 PRO A 82 12.178 16.454 10.205 1.00 0.95 H new ATOM 0 HG2 PRO A 82 9.942 14.556 9.563 1.00 0.91 H new ATOM 0 HG3 PRO A 82 9.895 16.299 9.738 1.00 0.91 H new ATOM 0 HD2 PRO A 82 9.907 15.103 7.295 1.00 0.82 H new ATOM 0 HD3 PRO A 82 10.639 16.674 7.556 1.00 0.82 H new ATOM 1189 N ASN A 83 14.006 13.025 9.855 1.00 0.79 N ATOM 1190 CA ASN A 83 14.355 11.636 10.181 1.00 0.72 C ATOM 1191 C ASN A 83 13.164 10.862 10.738 1.00 0.65 C ATOM 1192 O ASN A 83 13.050 9.658 10.523 1.00 0.61 O ATOM 1193 CB ASN A 83 15.505 11.594 11.189 1.00 0.82 C ATOM 1194 CG ASN A 83 16.886 11.698 10.556 1.00 1.10 C ATOM 1195 OD1 ASN A 83 16.981 12.337 9.397 1.00 1.53 O flip ATOM 1196 ND2 ASN A 83 17.867 11.196 11.112 1.00 1.16 N flip ATOM 0 H ASN A 83 14.651 13.714 10.242 1.00 0.79 H new ATOM 0 HA ASN A 83 14.664 11.159 9.251 1.00 0.72 H new ATOM 0 HB2 ASN A 83 15.380 12.410 11.901 1.00 0.82 H new ATOM 0 HB3 ASN A 83 15.445 10.664 11.755 1.00 0.82 H new ATOM 0 HD21 ASN A 83 17.756 10.712 12.003 1.00 1.16 H new ATOM 0 HD22 ASN A 83 18.789 11.265 10.681 1.00 1.16 H new ATOM 1203 N THR A 84 12.277 11.557 11.442 1.00 0.67 N ATOM 1204 CA THR A 84 11.081 10.936 11.999 1.00 0.67 C ATOM 1205 C THR A 84 10.211 10.345 10.885 1.00 0.58 C ATOM 1206 O THR A 84 9.896 9.148 10.884 1.00 0.53 O ATOM 1207 CB THR A 84 10.257 11.968 12.793 1.00 0.77 C ATOM 1208 OG1 THR A 84 11.132 12.784 13.588 1.00 1.11 O ATOM 1209 CG2 THR A 84 9.238 11.282 13.692 1.00 1.24 C ATOM 0 H THR A 84 12.364 12.554 11.641 1.00 0.67 H new ATOM 0 HA THR A 84 11.399 10.136 12.668 1.00 0.67 H new ATOM 0 HB THR A 84 9.719 12.594 12.081 1.00 0.77 H new ATOM 0 HG1 THR A 84 10.603 13.439 14.089 1.00 1.11 H new ATOM 0 HG21 THR A 84 8.671 12.035 14.240 1.00 1.24 H new ATOM 0 HG22 THR A 84 8.557 10.687 13.083 1.00 1.24 H new ATOM 0 HG23 THR A 84 9.755 10.632 14.398 1.00 1.24 H new ATOM 1217 N VAL A 85 9.848 11.193 9.922 1.00 0.59 N ATOM 1218 CA VAL A 85 9.034 10.771 8.790 1.00 0.55 C ATOM 1219 C VAL A 85 9.756 9.685 8.003 1.00 0.49 C ATOM 1220 O VAL A 85 9.164 8.674 7.663 1.00 0.45 O ATOM 1221 CB VAL A 85 8.692 11.960 7.858 1.00 0.60 C ATOM 1222 CG1 VAL A 85 7.868 11.503 6.665 1.00 0.56 C ATOM 1223 CG2 VAL A 85 7.948 13.041 8.627 1.00 0.72 C ATOM 0 H VAL A 85 10.108 12.179 9.907 1.00 0.59 H new ATOM 0 HA VAL A 85 8.098 10.374 9.183 1.00 0.55 H new ATOM 0 HB VAL A 85 9.629 12.373 7.485 1.00 0.60 H new ATOM 0 HG11 VAL A 85 7.643 12.359 6.029 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.432 10.765 6.095 1.00 0.56 H new ATOM 0 HG13 VAL A 85 6.937 11.057 7.015 1.00 0.56 H new ATOM 0 HG21 VAL A 85 7.715 13.869 7.957 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.023 12.629 9.030 1.00 0.72 H new ATOM 0 HG23 VAL A 85 8.572 13.400 9.445 1.00 0.72 H new ATOM 1233 N LEU A 86 11.041 9.887 7.766 1.00 0.50 N ATOM 1234 CA LEU A 86 11.850 8.929 7.010 1.00 0.50 C ATOM 1235 C LEU A 86 11.884 7.564 7.675 1.00 0.40 C ATOM 1236 O LEU A 86 11.692 6.537 7.018 1.00 0.38 O ATOM 1237 CB LEU A 86 13.274 9.414 6.921 1.00 0.62 C ATOM 1238 CG LEU A 86 13.451 10.822 6.402 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.865 11.243 6.673 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.138 10.890 4.921 1.00 1.34 C ATOM 0 H LEU A 86 11.554 10.708 8.086 1.00 0.50 H new ATOM 0 HA LEU A 86 11.393 8.844 6.024 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.723 9.352 7.912 1.00 0.62 H new ATOM 0 HB3 LEU A 86 13.831 8.735 6.275 1.00 0.62 H new ATOM 0 HG LEU A 86 12.761 11.498 6.907 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.019 12.258 6.307 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.055 11.211 7.746 1.00 1.45 H new ATOM 0 HD13 LEU A 86 15.550 10.566 6.163 1.00 1.45 H new ATOM 0 HD21 LEU A 86 13.272 11.912 4.567 1.00 1.34 H new ATOM 0 HD22 LEU A 86 13.810 10.227 4.376 1.00 1.34 H new ATOM 0 HD23 LEU A 86 12.107 10.580 4.752 1.00 1.34 H new ATOM 1252 N GLY A 87 12.187 7.560 8.970 1.00 0.39 N ATOM 1253 CA GLY A 87 12.257 6.324 9.714 1.00 0.39 C ATOM 1254 C GLY A 87 10.972 5.552 9.605 1.00 0.33 C ATOM 1255 O GLY A 87 10.975 4.336 9.376 1.00 0.37 O ATOM 0 H GLY A 87 12.386 8.398 9.516 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.082 5.717 9.340 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.468 6.538 10.762 1.00 0.39 H new ATOM 1259 N LYS A 88 9.860 6.261 9.704 1.00 0.34 N ATOM 1260 CA LYS A 88 8.578 5.590 9.636 1.00 0.37 C ATOM 1261 C LYS A 88 8.102 5.424 8.197 1.00 0.34 C ATOM 1262 O LYS A 88 7.193 4.643 7.946 1.00 0.41 O ATOM 1263 CB LYS A 88 7.516 6.249 10.527 1.00 0.49 C ATOM 1264 CG LYS A 88 7.111 7.660 10.149 1.00 0.65 C ATOM 1265 CD LYS A 88 5.939 8.120 11.006 1.00 0.98 C ATOM 1266 CE LYS A 88 5.592 9.586 10.802 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.436 9.981 11.652 1.00 1.66 N ATOM 0 H LYS A 88 9.819 7.273 9.828 1.00 0.34 H new ATOM 0 HA LYS A 88 8.730 4.589 10.040 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.624 5.622 10.519 1.00 0.49 H new ATOM 0 HB3 LYS A 88 7.887 6.261 11.552 1.00 0.49 H new ATOM 0 HG2 LYS A 88 7.955 8.336 10.282 1.00 0.65 H new ATOM 0 HG3 LYS A 88 6.836 7.697 9.095 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.066 7.510 10.775 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.176 7.951 12.056 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.455 10.205 11.045 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.356 9.765 9.753 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.313 11.013 11.613 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.574 9.516 11.303 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.612 9.690 12.635 1.00 1.66 H new ATOM 1281 N ILE A 89 8.727 6.121 7.239 1.00 0.30 N ATOM 1282 CA ILE A 89 8.446 5.840 5.833 1.00 0.31 C ATOM 1283 C ILE A 89 9.063 4.502 5.477 1.00 0.26 C ATOM 1284 O ILE A 89 8.432 3.666 4.842 1.00 0.28 O ATOM 1285 CB ILE A 89 8.967 6.933 4.860 1.00 0.37 C ATOM 1286 CG1 ILE A 89 8.108 8.196 4.950 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.979 6.414 3.425 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.502 9.264 3.954 1.00 1.15 C ATOM 0 H ILE A 89 9.409 6.860 7.407 1.00 0.30 H new ATOM 0 HA ILE A 89 7.362 5.825 5.716 1.00 0.31 H new ATOM 0 HB ILE A 89 9.987 7.183 5.153 1.00 0.37 H new ATOM 0 HG12 ILE A 89 7.064 7.928 4.790 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.181 8.605 5.958 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.347 7.194 2.759 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.631 5.543 3.359 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.968 6.133 3.131 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.852 10.131 4.074 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.537 9.560 4.128 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.402 8.872 2.942 1.00 1.15 H new ATOM 1300 N TRP A 90 10.292 4.290 5.938 1.00 0.24 N ATOM 1301 CA TRP A 90 10.972 3.029 5.709 1.00 0.22 C ATOM 1302 C TRP A 90 10.200 1.876 6.320 1.00 0.23 C ATOM 1303 O TRP A 90 9.838 0.927 5.638 1.00 0.25 O ATOM 1304 CB TRP A 90 12.366 3.025 6.310 1.00 0.22 C ATOM 1305 CG TRP A 90 13.031 1.693 6.144 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.161 0.709 7.088 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.614 1.188 4.944 1.00 0.21 C ATOM 1308 NE1 TRP A 90 13.815 -0.373 6.543 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.104 -0.101 5.227 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.776 1.706 3.656 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.748 -0.879 4.269 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.414 0.932 2.710 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.893 -0.346 3.020 1.00 0.30 C ATOM 0 H TRP A 90 10.831 4.974 6.469 1.00 0.24 H new ATOM 0 HA TRP A 90 11.039 2.909 4.628 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.971 3.797 5.834 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.307 3.274 7.370 1.00 0.22 H new ATOM 0 HD1 TRP A 90 12.805 0.772 8.106 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.047 -1.236 7.035 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.409 2.691 3.407 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.119 -1.866 4.504 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.547 1.319 1.711 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.389 -0.924 2.254 1.00 0.30 H new ATOM 1324 N LYS A 91 9.955 1.974 7.616 1.00 0.26 N ATOM 1325 CA LYS A 91 9.425 0.854 8.373 1.00 0.30 C ATOM 1326 C LYS A 91 7.966 0.586 8.045 1.00 0.31 C ATOM 1327 O LYS A 91 7.465 -0.511 8.278 1.00 0.42 O ATOM 1328 CB LYS A 91 9.595 1.110 9.854 1.00 0.40 C ATOM 1329 CG LYS A 91 11.026 1.394 10.248 1.00 1.08 C ATOM 1330 CD LYS A 91 11.166 1.532 11.752 1.00 1.26 C ATOM 1331 CE LYS A 91 12.529 2.088 12.142 1.00 2.03 C ATOM 1332 NZ LYS A 91 13.652 1.242 11.648 1.00 2.54 N ATOM 0 H LYS A 91 10.115 2.818 8.165 1.00 0.26 H new ATOM 0 HA LYS A 91 9.988 -0.036 8.091 1.00 0.30 H new ATOM 0 HB2 LYS A 91 8.970 1.955 10.144 1.00 0.40 H new ATOM 0 HB3 LYS A 91 9.237 0.243 10.410 1.00 0.40 H new ATOM 0 HG2 LYS A 91 11.670 0.589 9.893 1.00 1.08 H new ATOM 0 HG3 LYS A 91 11.364 2.310 9.763 1.00 1.08 H new ATOM 0 HD2 LYS A 91 10.383 2.188 12.132 1.00 1.26 H new ATOM 0 HD3 LYS A 91 11.022 0.559 12.222 1.00 1.26 H new ATOM 0 HE2 LYS A 91 12.635 3.096 11.742 1.00 2.03 H new ATOM 0 HE3 LYS A 91 12.588 2.168 13.227 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 14.550 1.595 12.037 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 13.505 0.258 11.952 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 13.686 1.282 10.609 1.00 2.54 H new ATOM 1346 N LEU A 92 7.283 1.588 7.518 1.00 0.27 N ATOM 1347 CA LEU A 92 5.908 1.406 7.093 1.00 0.33 C ATOM 1348 C LEU A 92 5.875 0.876 5.664 1.00 0.34 C ATOM 1349 O LEU A 92 4.872 0.317 5.227 1.00 0.47 O ATOM 1350 CB LEU A 92 5.132 2.720 7.180 1.00 0.37 C ATOM 1351 CG LEU A 92 3.664 2.579 7.582 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.561 2.170 9.045 1.00 0.86 C ATOM 1353 CD2 LEU A 92 2.916 3.882 7.338 1.00 0.61 C ATOM 0 H LEU A 92 7.655 2.527 7.376 1.00 0.27 H new ATOM 0 HA LEU A 92 5.434 0.684 7.758 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.629 3.371 7.899 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.182 3.218 6.212 1.00 0.37 H new ATOM 0 HG LEU A 92 3.206 1.803 6.968 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.511 2.072 9.322 1.00 0.86 H new ATOM 0 HD12 LEU A 92 4.066 1.215 9.192 1.00 0.86 H new ATOM 0 HD13 LEU A 92 4.032 2.930 9.669 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.873 3.763 7.630 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.369 4.678 7.929 1.00 0.61 H new ATOM 0 HD23 LEU A 92 2.970 4.140 6.280 1.00 0.61 H new ATOM 1365 N ALA A 93 6.981 1.055 4.936 1.00 0.30 N ATOM 1366 CA ALA A 93 7.062 0.586 3.555 1.00 0.37 C ATOM 1367 C ALA A 93 7.661 -0.805 3.490 1.00 0.37 C ATOM 1368 O ALA A 93 7.159 -1.683 2.784 1.00 0.45 O ATOM 1369 CB ALA A 93 7.887 1.540 2.717 1.00 0.43 C ATOM 0 H ALA A 93 7.824 1.517 5.278 1.00 0.30 H new ATOM 0 HA ALA A 93 6.049 0.548 3.155 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.936 1.174 1.691 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.425 2.527 2.728 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.895 1.606 3.127 1.00 0.43 H new ATOM 1375 N ASP A 94 8.726 -1.011 4.245 1.00 0.32 N ATOM 1376 CA ASP A 94 9.310 -2.327 4.382 1.00 0.38 C ATOM 1377 C ASP A 94 8.613 -3.032 5.525 1.00 0.45 C ATOM 1378 O ASP A 94 9.141 -3.134 6.624 1.00 0.49 O ATOM 1379 CB ASP A 94 10.821 -2.251 4.635 1.00 0.35 C ATOM 1380 CG ASP A 94 11.527 -3.591 4.531 1.00 0.47 C ATOM 1381 OD1 ASP A 94 10.946 -4.525 3.947 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.673 -3.723 5.024 1.00 0.62 O ATOM 0 H ASP A 94 9.203 -0.279 4.772 1.00 0.32 H new ATOM 0 HA ASP A 94 9.174 -2.882 3.454 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.266 -1.560 3.919 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.993 -1.836 5.628 1.00 0.35 H new ATOM 1387 N VAL A 95 7.386 -3.460 5.260 1.00 0.64 N ATOM 1388 CA VAL A 95 6.571 -4.165 6.244 1.00 0.79 C ATOM 1389 C VAL A 95 7.151 -5.555 6.496 1.00 0.74 C ATOM 1390 O VAL A 95 6.696 -6.302 7.365 1.00 0.88 O ATOM 1391 CB VAL A 95 5.103 -4.276 5.765 1.00 1.07 C ATOM 1392 CG1 VAL A 95 4.193 -4.792 6.872 1.00 1.76 C ATOM 1393 CG2 VAL A 95 4.603 -2.933 5.258 1.00 1.57 C ATOM 0 H VAL A 95 6.927 -3.329 4.359 1.00 0.64 H new ATOM 0 HA VAL A 95 6.582 -3.598 7.175 1.00 0.79 H new ATOM 0 HB VAL A 95 5.078 -4.995 4.946 1.00 1.07 H new ATOM 0 HG11 VAL A 95 3.170 -4.858 6.501 1.00 1.76 H new ATOM 0 HG12 VAL A 95 4.528 -5.780 7.188 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.228 -4.108 7.720 1.00 1.76 H new ATOM 0 HG21 VAL A 95 3.570 -3.031 4.926 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.658 -2.198 6.061 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.223 -2.606 4.423 1.00 1.57 H new ATOM 1403 N ASP A 96 8.150 -5.896 5.699 1.00 0.68 N ATOM 1404 CA ASP A 96 8.880 -7.143 5.852 1.00 0.73 C ATOM 1405 C ASP A 96 10.126 -6.910 6.707 1.00 0.60 C ATOM 1406 O ASP A 96 10.603 -7.815 7.387 1.00 0.68 O ATOM 1407 CB ASP A 96 9.264 -7.651 4.470 1.00 0.94 C ATOM 1408 CG ASP A 96 9.976 -8.983 4.484 1.00 1.04 C ATOM 1409 OD1 ASP A 96 9.433 -9.950 5.064 1.00 1.70 O ATOM 1410 OD2 ASP A 96 11.065 -9.068 3.890 1.00 1.40 O ATOM 0 H ASP A 96 8.478 -5.315 4.927 1.00 0.68 H new ATOM 0 HA ASP A 96 8.259 -7.887 6.351 1.00 0.73 H new ATOM 0 HB2 ASP A 96 8.363 -7.738 3.862 1.00 0.94 H new ATOM 0 HB3 ASP A 96 9.904 -6.913 3.987 1.00 0.94 H new ATOM 1415 N LYS A 97 10.613 -5.665 6.681 1.00 0.48 N ATOM 1416 CA LYS A 97 11.659 -5.187 7.593 1.00 0.46 C ATOM 1417 C LYS A 97 12.939 -5.995 7.458 1.00 0.46 C ATOM 1418 O LYS A 97 13.289 -6.803 8.322 1.00 0.70 O ATOM 1419 CB LYS A 97 11.144 -5.180 9.028 1.00 0.59 C ATOM 1420 CG LYS A 97 9.880 -4.358 9.167 1.00 0.67 C ATOM 1421 CD LYS A 97 9.333 -4.386 10.582 1.00 0.82 C ATOM 1422 CE LYS A 97 7.925 -3.813 10.652 1.00 1.34 C ATOM 1423 NZ LYS A 97 7.403 -3.793 12.045 1.00 1.74 N ATOM 0 H LYS A 97 10.291 -4.956 6.023 1.00 0.48 H new ATOM 0 HA LYS A 97 11.909 -4.163 7.316 1.00 0.46 H new ATOM 0 HB2 LYS A 97 10.950 -6.203 9.350 1.00 0.59 H new ATOM 0 HB3 LYS A 97 11.913 -4.779 9.688 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.085 -3.327 8.879 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.124 -4.737 8.479 1.00 0.67 H new ATOM 0 HD2 LYS A 97 9.327 -5.412 10.950 1.00 0.82 H new ATOM 0 HD3 LYS A 97 9.991 -3.816 11.238 1.00 0.82 H new ATOM 0 HE2 LYS A 97 7.925 -2.800 10.250 1.00 1.34 H new ATOM 0 HE3 LYS A 97 7.260 -4.406 10.024 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 6.442 -3.396 12.050 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 7.379 -4.762 12.421 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.023 -3.207 12.640 1.00 1.74 H new ATOM 1437 N ASP A 98 13.630 -5.760 6.363 1.00 0.35 N ATOM 1438 CA ASP A 98 14.779 -6.563 5.995 1.00 0.43 C ATOM 1439 C ASP A 98 16.008 -5.704 5.694 1.00 0.39 C ATOM 1440 O ASP A 98 17.143 -6.178 5.805 1.00 0.63 O ATOM 1441 CB ASP A 98 14.412 -7.431 4.786 1.00 0.69 C ATOM 1442 CG ASP A 98 13.749 -6.612 3.696 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.411 -5.744 3.134 1.00 1.35 O ATOM 1444 OD2 ASP A 98 12.544 -6.801 3.420 1.00 1.51 O ATOM 0 H ASP A 98 13.414 -5.011 5.705 1.00 0.35 H new ATOM 0 HA ASP A 98 15.043 -7.198 6.841 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.310 -7.905 4.391 1.00 0.69 H new ATOM 0 HB3 ASP A 98 13.742 -8.231 5.101 1.00 0.69 H new ATOM 1449 N GLY A 99 15.792 -4.441 5.332 1.00 0.29 N ATOM 1450 CA GLY A 99 16.917 -3.566 5.015 1.00 0.29 C ATOM 1451 C GLY A 99 17.070 -3.334 3.527 1.00 0.24 C ATOM 1452 O GLY A 99 18.056 -2.744 3.081 1.00 0.27 O ATOM 0 H GLY A 99 14.871 -4.009 5.252 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.780 -2.608 5.517 1.00 0.29 H new ATOM 0 HA3 GLY A 99 17.835 -4.003 5.408 1.00 0.29 H new ATOM 1456 N LEU A 100 16.105 -3.810 2.763 1.00 0.23 N ATOM 1457 CA LEU A 100 16.036 -3.566 1.331 1.00 0.21 C ATOM 1458 C LEU A 100 14.577 -3.368 0.936 1.00 0.24 C ATOM 1459 O LEU A 100 13.707 -3.341 1.802 1.00 0.38 O ATOM 1460 CB LEU A 100 16.692 -4.720 0.550 1.00 0.27 C ATOM 1461 CG LEU A 100 16.226 -6.137 0.912 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.900 -6.478 0.242 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.301 -7.148 0.548 1.00 0.54 C ATOM 0 H LEU A 100 15.340 -4.382 3.120 1.00 0.23 H new ATOM 0 HA LEU A 100 16.591 -2.662 1.080 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.510 -4.561 -0.513 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.770 -4.665 0.700 1.00 0.27 H new ATOM 0 HG LEU A 100 16.060 -6.177 1.989 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.601 -7.488 0.521 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.136 -5.771 0.566 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.013 -6.419 -0.840 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.961 -8.150 0.809 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.499 -7.099 -0.523 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.215 -6.921 1.097 1.00 0.54 H new ATOM 1475 N LEU A 101 14.305 -3.229 -0.354 1.00 0.20 N ATOM 1476 CA LEU A 101 12.961 -2.981 -0.823 1.00 0.20 C ATOM 1477 C LEU A 101 12.855 -3.559 -2.211 1.00 0.17 C ATOM 1478 O LEU A 101 13.520 -3.097 -3.130 1.00 0.18 O ATOM 1479 CB LEU A 101 12.627 -1.481 -0.864 1.00 0.24 C ATOM 1480 CG LEU A 101 12.421 -0.789 0.489 1.00 0.26 C ATOM 1481 CD1 LEU A 101 12.086 0.673 0.276 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.314 -1.454 1.290 1.00 0.58 C ATOM 0 H LEU A 101 15.006 -3.285 -1.093 1.00 0.20 H new ATOM 0 HA LEU A 101 12.253 -3.445 -0.136 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.430 -0.967 -1.391 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.721 -1.349 -1.456 1.00 0.24 H new ATOM 0 HG LEU A 101 13.349 -0.876 1.054 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.941 1.158 1.242 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.904 1.160 -0.255 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.172 0.755 -0.312 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.195 -0.939 2.243 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.380 -1.404 0.731 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.573 -2.497 1.472 1.00 0.58 H new ATOM 1494 N ASP A 102 12.075 -4.587 -2.376 1.00 0.16 N ATOM 1495 CA ASP A 102 11.914 -5.158 -3.692 1.00 0.17 C ATOM 1496 C ASP A 102 10.985 -4.281 -4.526 1.00 0.16 C ATOM 1497 O ASP A 102 10.590 -3.215 -4.072 1.00 0.16 O ATOM 1498 CB ASP A 102 11.423 -6.590 -3.599 1.00 0.25 C ATOM 1499 CG ASP A 102 9.989 -6.705 -3.113 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.069 -6.476 -3.925 1.00 1.50 O ATOM 1501 OD2 ASP A 102 9.779 -7.016 -1.922 1.00 1.40 O ATOM 0 H ASP A 102 11.546 -5.045 -1.634 1.00 0.16 H new ATOM 0 HA ASP A 102 12.881 -5.189 -4.194 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.505 -7.059 -4.580 1.00 0.25 H new ATOM 0 HB3 ASP A 102 12.073 -7.146 -2.924 1.00 0.25 H new ATOM 1506 N ASP A 103 10.654 -4.701 -5.742 1.00 0.18 N ATOM 1507 CA ASP A 103 9.874 -3.861 -6.656 1.00 0.19 C ATOM 1508 C ASP A 103 8.536 -3.441 -6.043 1.00 0.16 C ATOM 1509 O ASP A 103 8.052 -2.324 -6.268 1.00 0.17 O ATOM 1510 CB ASP A 103 9.641 -4.590 -7.985 1.00 0.28 C ATOM 1511 CG ASP A 103 8.988 -5.950 -7.816 1.00 0.97 C ATOM 1512 OD1 ASP A 103 7.747 -6.007 -7.691 1.00 1.73 O ATOM 1513 OD2 ASP A 103 9.711 -6.963 -7.778 1.00 1.65 O ATOM 0 H ASP A 103 10.910 -5.613 -6.120 1.00 0.18 H new ATOM 0 HA ASP A 103 10.452 -2.956 -6.840 1.00 0.19 H new ATOM 0 HB2 ASP A 103 9.014 -3.971 -8.626 1.00 0.28 H new ATOM 0 HB3 ASP A 103 10.596 -4.714 -8.496 1.00 0.28 H new ATOM 1518 N GLU A 104 7.968 -4.311 -5.228 1.00 0.18 N ATOM 1519 CA GLU A 104 6.690 -4.033 -4.602 1.00 0.23 C ATOM 1520 C GLU A 104 6.894 -3.241 -3.315 1.00 0.19 C ATOM 1521 O GLU A 104 6.044 -2.449 -2.910 1.00 0.22 O ATOM 1522 CB GLU A 104 5.956 -5.338 -4.316 1.00 0.33 C ATOM 1523 CG GLU A 104 4.517 -5.148 -3.892 1.00 0.65 C ATOM 1524 CD GLU A 104 3.847 -6.460 -3.573 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.908 -6.896 -2.404 1.00 2.14 O ATOM 1526 OE2 GLU A 104 3.247 -7.054 -4.491 1.00 1.68 O ATOM 0 H GLU A 104 8.372 -5.215 -4.985 1.00 0.18 H new ATOM 0 HA GLU A 104 6.085 -3.434 -5.282 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.983 -5.962 -5.209 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.487 -5.879 -3.533 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.479 -4.499 -3.017 1.00 0.65 H new ATOM 0 HG3 GLU A 104 3.968 -4.644 -4.687 1.00 0.65 H new ATOM 1533 N GLU A 105 8.038 -3.449 -2.688 1.00 0.18 N ATOM 1534 CA GLU A 105 8.373 -2.740 -1.468 1.00 0.17 C ATOM 1535 C GLU A 105 8.770 -1.292 -1.767 1.00 0.17 C ATOM 1536 O GLU A 105 8.499 -0.391 -0.972 1.00 0.22 O ATOM 1537 CB GLU A 105 9.477 -3.475 -0.715 1.00 0.19 C ATOM 1538 CG GLU A 105 8.982 -4.099 0.585 1.00 0.26 C ATOM 1539 CD GLU A 105 9.995 -5.008 1.258 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.201 -4.885 0.998 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.622 -5.919 2.007 1.00 1.11 O ATOM 0 H GLU A 105 8.752 -4.105 -3.005 1.00 0.18 H new ATOM 0 HA GLU A 105 7.489 -2.711 -0.830 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.891 -4.255 -1.354 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.287 -2.780 -0.495 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.707 -3.303 1.277 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.076 -4.670 0.380 1.00 0.26 H new ATOM 1548 N PHE A 106 9.402 -1.072 -2.916 1.00 0.16 N ATOM 1549 CA PHE A 106 9.659 0.276 -3.398 1.00 0.16 C ATOM 1550 C PHE A 106 8.316 0.909 -3.736 1.00 0.16 C ATOM 1551 O PHE A 106 8.081 2.079 -3.442 1.00 0.18 O ATOM 1552 CB PHE A 106 10.580 0.253 -4.633 1.00 0.19 C ATOM 1553 CG PHE A 106 11.109 1.608 -5.081 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.401 2.765 -4.799 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.303 1.734 -5.775 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.866 3.999 -5.190 1.00 1.07 C ATOM 1557 CE2 PHE A 106 12.772 2.971 -6.172 1.00 1.04 C ATOM 1558 CZ PHE A 106 12.101 4.069 -5.927 1.00 0.28 C ATOM 0 H PHE A 106 9.745 -1.812 -3.529 1.00 0.16 H new ATOM 0 HA PHE A 106 10.170 0.859 -2.631 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.429 -0.396 -4.419 1.00 0.19 H new ATOM 0 HB3 PHE A 106 10.035 -0.197 -5.463 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.466 2.697 -4.262 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.876 0.849 -6.009 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.316 4.897 -4.949 1.00 1.07 H new ATOM 0 HE2 PHE A 106 13.714 3.034 -6.697 1.00 1.04 H new ATOM 0 HZ PHE A 106 12.472 5.021 -6.276 1.00 0.28 H new ATOM 1568 N ALA A 107 7.428 0.115 -4.336 1.00 0.16 N ATOM 1569 CA ALA A 107 6.076 0.575 -4.618 1.00 0.16 C ATOM 1570 C ALA A 107 5.436 1.164 -3.363 1.00 0.16 C ATOM 1571 O ALA A 107 4.862 2.256 -3.396 1.00 0.18 O ATOM 1572 CB ALA A 107 5.230 -0.559 -5.178 1.00 0.19 C ATOM 0 H ALA A 107 7.622 -0.841 -4.632 1.00 0.16 H new ATOM 0 HA ALA A 107 6.130 1.361 -5.371 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.223 -0.195 -5.382 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.678 -0.925 -6.102 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.182 -1.370 -4.452 1.00 0.19 H new ATOM 1578 N LEU A 108 5.570 0.458 -2.248 1.00 0.18 N ATOM 1579 CA LEU A 108 5.029 0.934 -0.984 1.00 0.22 C ATOM 1580 C LEU A 108 5.786 2.176 -0.516 1.00 0.19 C ATOM 1581 O LEU A 108 5.173 3.188 -0.164 1.00 0.20 O ATOM 1582 CB LEU A 108 5.107 -0.166 0.073 1.00 0.34 C ATOM 1583 CG LEU A 108 3.939 -0.193 1.068 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.981 -1.450 1.905 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.941 1.024 1.970 1.00 1.23 C ATOM 0 H LEU A 108 6.047 -0.442 -2.194 1.00 0.18 H new ATOM 0 HA LEU A 108 3.983 1.201 -1.132 1.00 0.22 H new ATOM 0 HB2 LEU A 108 5.157 -1.131 -0.431 1.00 0.34 H new ATOM 0 HB3 LEU A 108 6.037 -0.049 0.630 1.00 0.34 H new ATOM 0 HG LEU A 108 3.019 -0.180 0.484 1.00 0.52 H new ATOM 0 HD11 LEU A 108 3.145 -1.450 2.604 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.911 -2.322 1.255 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.918 -1.486 2.461 1.00 1.22 H new ATOM 0 HD21 LEU A 108 3.099 0.967 2.660 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.872 1.056 2.536 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.854 1.926 1.364 1.00 1.23 H new ATOM 1597 N ALA A 109 7.114 2.088 -0.531 1.00 0.19 N ATOM 1598 CA ALA A 109 7.982 3.196 -0.111 1.00 0.19 C ATOM 1599 C ALA A 109 7.603 4.516 -0.782 1.00 0.19 C ATOM 1600 O ALA A 109 7.296 5.502 -0.107 1.00 0.20 O ATOM 1601 CB ALA A 109 9.434 2.863 -0.418 1.00 0.22 C ATOM 0 H ALA A 109 7.620 1.255 -0.832 1.00 0.19 H new ATOM 0 HA ALA A 109 7.848 3.323 0.963 1.00 0.19 H new ATOM 0 HB1 ALA A 109 10.071 3.690 -0.104 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.721 1.959 0.119 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.552 2.702 -1.490 1.00 0.22 H new ATOM 1607 N ASN A 110 7.607 4.522 -2.108 1.00 0.19 N ATOM 1608 CA ASN A 110 7.372 5.736 -2.868 1.00 0.19 C ATOM 1609 C ASN A 110 5.911 6.158 -2.742 1.00 0.20 C ATOM 1610 O ASN A 110 5.585 7.345 -2.805 1.00 0.23 O ATOM 1611 CB ASN A 110 7.734 5.520 -4.336 1.00 0.21 C ATOM 1612 CG ASN A 110 7.892 6.829 -5.095 1.00 0.29 C ATOM 1613 OD1 ASN A 110 9.121 7.317 -5.183 1.00 1.18 O flip ATOM 1614 ND2 ASN A 110 6.927 7.381 -5.616 1.00 1.11 N flip ATOM 0 H ASN A 110 7.772 3.693 -2.680 1.00 0.19 H new ATOM 0 HA ASN A 110 8.003 6.529 -2.467 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.663 4.953 -4.398 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.961 4.918 -4.813 1.00 0.21 H new ATOM 0 HD21 ASN A 110 5.996 6.974 -5.526 1.00 1.11 H new ATOM 0 HD22 ASN A 110 7.056 8.247 -6.139 1.00 1.11 H new ATOM 1621 N HIS A 111 5.029 5.179 -2.538 1.00 0.23 N ATOM 1622 CA HIS A 111 3.608 5.466 -2.386 1.00 0.25 C ATOM 1623 C HIS A 111 3.358 6.174 -1.063 1.00 0.24 C ATOM 1624 O HIS A 111 2.507 7.049 -0.969 1.00 0.26 O ATOM 1625 CB HIS A 111 2.778 4.183 -2.457 1.00 0.30 C ATOM 1626 CG HIS A 111 1.298 4.419 -2.482 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.610 4.748 -3.627 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.373 4.358 -1.495 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.671 4.880 -3.346 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.848 4.654 -2.057 1.00 0.47 N ATOM 0 H HIS A 111 5.273 4.191 -2.475 1.00 0.23 H new ATOM 0 HA HIS A 111 3.302 6.116 -3.206 1.00 0.25 H new ATOM 0 HB2 HIS A 111 3.063 3.626 -3.350 1.00 0.30 H new ATOM 0 HB3 HIS A 111 3.022 3.556 -1.599 1.00 0.30 H new ATOM 0 HD2 HIS A 111 0.559 4.121 -0.458 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.448 5.131 -4.053 1.00 0.49 H new ATOM 0 HE2 HIS A 111 -1.739 4.692 -1.562 1.00 0.47 H new ATOM 1639 N LEU A 112 4.100 5.790 -0.042 1.00 0.25 N ATOM 1640 CA LEU A 112 4.016 6.467 1.242 1.00 0.28 C ATOM 1641 C LEU A 112 4.599 7.870 1.129 1.00 0.25 C ATOM 1642 O LEU A 112 4.106 8.809 1.750 1.00 0.27 O ATOM 1643 CB LEU A 112 4.734 5.665 2.326 1.00 0.35 C ATOM 1644 CG LEU A 112 3.989 4.421 2.824 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.816 3.717 3.878 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.627 4.796 3.391 1.00 0.54 C ATOM 0 H LEU A 112 4.765 5.017 -0.074 1.00 0.25 H new ATOM 0 HA LEU A 112 2.967 6.547 1.527 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.706 5.356 1.942 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.921 6.321 3.176 1.00 0.35 H new ATOM 0 HG LEU A 112 3.833 3.749 1.980 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.283 2.834 4.229 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.772 3.417 3.450 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.990 4.393 4.716 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.117 3.897 3.738 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.757 5.484 4.226 1.00 0.54 H new ATOM 0 HD23 LEU A 112 2.030 5.275 2.616 1.00 0.54 H new ATOM 1658 N ILE A 113 5.648 8.011 0.327 1.00 0.26 N ATOM 1659 CA ILE A 113 6.194 9.323 0.000 1.00 0.26 C ATOM 1660 C ILE A 113 5.138 10.220 -0.657 1.00 0.26 C ATOM 1661 O ILE A 113 5.016 11.392 -0.300 1.00 0.32 O ATOM 1662 CB ILE A 113 7.420 9.197 -0.930 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.556 8.461 -0.210 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.898 10.567 -1.393 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.784 8.235 -1.068 1.00 0.81 C ATOM 0 H ILE A 113 6.139 7.231 -0.110 1.00 0.26 H new ATOM 0 HA ILE A 113 6.507 9.784 0.937 1.00 0.26 H new ATOM 0 HB ILE A 113 7.122 8.624 -1.808 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.842 9.032 0.673 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.187 7.497 0.139 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.762 10.449 -2.047 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.097 11.067 -1.937 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.177 11.167 -0.527 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.542 7.709 -0.487 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.514 7.637 -1.939 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.180 9.196 -1.396 1.00 0.81 H new ATOM 1677 N LYS A 114 4.377 9.697 -1.616 1.00 0.25 N ATOM 1678 CA LYS A 114 3.320 10.501 -2.217 1.00 0.31 C ATOM 1679 C LYS A 114 2.211 10.777 -1.202 1.00 0.32 C ATOM 1680 O LYS A 114 1.609 11.842 -1.220 1.00 0.41 O ATOM 1681 CB LYS A 114 2.749 9.847 -3.473 1.00 0.45 C ATOM 1682 CG LYS A 114 1.754 8.733 -3.206 1.00 0.86 C ATOM 1683 CD LYS A 114 1.053 8.321 -4.478 1.00 1.30 C ATOM 1684 CE LYS A 114 0.182 9.444 -5.010 1.00 1.59 C ATOM 1685 NZ LYS A 114 -1.153 9.491 -4.350 1.00 2.22 N ATOM 0 H LYS A 114 4.468 8.750 -1.984 1.00 0.25 H new ATOM 0 HA LYS A 114 3.764 11.450 -2.518 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.264 10.613 -4.078 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.572 9.447 -4.065 1.00 0.45 H new ATOM 0 HG2 LYS A 114 2.270 7.875 -2.776 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.019 9.064 -2.472 1.00 0.86 H new ATOM 0 HD2 LYS A 114 1.791 8.042 -5.230 1.00 1.30 H new ATOM 0 HD3 LYS A 114 0.440 7.439 -4.290 1.00 1.30 H new ATOM 0 HE2 LYS A 114 0.691 10.396 -4.861 1.00 1.59 H new ATOM 0 HE3 LYS A 114 0.049 9.318 -6.084 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -1.740 10.219 -4.805 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 -1.618 8.565 -4.440 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 -1.034 9.722 -3.343 1.00 2.22 H new ATOM 1699 N VAL A 115 1.966 9.829 -0.300 1.00 0.30 N ATOM 1700 CA VAL A 115 0.972 10.006 0.758 1.00 0.35 C ATOM 1701 C VAL A 115 1.363 11.159 1.679 1.00 0.35 C ATOM 1702 O VAL A 115 0.535 12.005 2.020 1.00 0.42 O ATOM 1703 CB VAL A 115 0.791 8.705 1.572 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.044 8.960 2.870 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.059 7.660 0.742 1.00 0.47 C ATOM 0 H VAL A 115 2.443 8.928 -0.280 1.00 0.30 H new ATOM 0 HA VAL A 115 0.020 10.247 0.285 1.00 0.35 H new ATOM 0 HB VAL A 115 1.783 8.330 1.824 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -0.065 8.023 3.417 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.603 9.672 3.478 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.942 9.368 2.648 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.061 6.749 1.328 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.922 8.042 0.459 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.635 7.440 -0.157 1.00 0.47 H new ATOM 1715 N LYS A 116 2.635 11.212 2.055 1.00 0.35 N ATOM 1716 CA LYS A 116 3.137 12.309 2.862 1.00 0.45 C ATOM 1717 C LYS A 116 3.332 13.560 2.000 1.00 0.48 C ATOM 1718 O LYS A 116 3.644 14.635 2.504 1.00 0.63 O ATOM 1719 CB LYS A 116 4.432 11.892 3.543 1.00 0.59 C ATOM 1720 CG LYS A 116 5.544 11.628 2.567 1.00 0.77 C ATOM 1721 CD LYS A 116 6.664 12.600 2.784 1.00 0.79 C ATOM 1722 CE LYS A 116 7.389 12.937 1.497 1.00 1.68 C ATOM 1723 NZ LYS A 116 6.488 13.491 0.449 1.00 1.91 N ATOM 0 H LYS A 116 3.333 10.509 1.813 1.00 0.35 H new ATOM 0 HA LYS A 116 2.409 12.554 3.635 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.741 12.674 4.236 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.253 10.994 4.135 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.909 10.608 2.688 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.170 11.714 1.547 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.268 13.514 3.226 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.372 12.181 3.499 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.177 13.659 1.709 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.874 12.039 1.114 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 7.018 14.157 -0.148 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.121 12.715 -0.139 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 5.694 13.988 0.901 1.00 1.91 H new ATOM 1737 N LEU A 117 3.159 13.400 0.691 1.00 0.43 N ATOM 1738 CA LEU A 117 3.163 14.527 -0.239 1.00 0.53 C ATOM 1739 C LEU A 117 1.740 15.055 -0.420 1.00 0.60 C ATOM 1740 O LEU A 117 1.526 16.161 -0.914 1.00 0.73 O ATOM 1741 CB LEU A 117 3.740 14.093 -1.594 1.00 0.54 C ATOM 1742 CG LEU A 117 3.780 15.176 -2.672 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.685 16.323 -2.245 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.243 14.578 -3.991 1.00 1.17 C ATOM 0 H LEU A 117 3.013 12.493 0.247 1.00 0.43 H new ATOM 0 HA LEU A 117 3.788 15.321 0.169 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.754 13.725 -1.436 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.152 13.255 -1.968 1.00 0.54 H new ATOM 0 HG LEU A 117 2.776 15.577 -2.808 1.00 0.68 H new ATOM 0 HD11 LEU A 117 4.701 17.084 -3.025 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.308 16.759 -1.320 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.696 15.948 -2.083 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.269 15.356 -4.754 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.241 14.156 -3.869 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.552 13.793 -4.297 1.00 1.17 H new ATOM 1756 N GLU A 118 0.769 14.245 -0.008 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.638 14.604 -0.114 1.00 0.70 C ATOM 1758 C GLU A 118 -1.053 15.511 1.040 1.00 0.79 C ATOM 1759 O GLU A 118 -2.214 15.898 1.158 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.506 13.343 -0.183 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.331 12.590 -1.501 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.063 11.260 -1.546 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.289 11.240 -1.320 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -1.415 10.229 -1.838 1.00 1.99 O ATOM 0 H GLU A 118 0.935 13.328 0.406 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.789 15.163 -1.038 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.251 12.683 0.646 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.554 13.618 -0.061 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.686 13.218 -2.318 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.269 12.416 -1.672 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.092 15.845 1.890 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.322 16.866 2.884 1.00 0.86 C ATOM 1773 C GLY A 119 -0.449 16.314 4.278 1.00 0.87 C ATOM 1774 O GLY A 119 -0.743 17.054 5.216 1.00 1.01 O ATOM 0 H GLY A 119 0.838 15.427 1.907 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.499 17.583 2.857 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -1.231 17.412 2.632 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.222 15.021 4.433 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.317 14.412 5.740 1.00 0.84 C ATOM 1780 C HIS A 120 0.775 13.367 5.941 1.00 0.81 C ATOM 1781 O HIS A 120 1.081 12.582 5.045 1.00 0.84 O ATOM 1782 CB HIS A 120 -1.711 13.810 5.954 1.00 0.86 C ATOM 1783 CG HIS A 120 -1.867 12.380 5.528 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -1.896 11.351 6.434 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.015 11.809 4.304 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.063 10.212 5.803 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.142 10.456 4.505 1.00 0.87 N ATOM 0 H HIS A 120 0.026 14.382 3.677 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.166 15.189 6.489 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -1.962 13.886 7.012 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.437 14.415 5.410 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -1.802 11.455 7.444 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.030 12.322 3.353 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.125 9.238 6.266 1.00 0.83 H new ATOM 1796 N GLU A 121 1.362 13.388 7.121 1.00 0.93 N ATOM 1797 CA GLU A 121 2.376 12.419 7.516 1.00 1.01 C ATOM 1798 C GLU A 121 1.768 11.032 7.736 1.00 0.79 C ATOM 1799 O GLU A 121 0.549 10.885 7.861 1.00 0.71 O ATOM 1800 CB GLU A 121 3.078 12.899 8.784 1.00 1.31 C ATOM 1801 CG GLU A 121 2.123 13.205 9.929 1.00 1.55 C ATOM 1802 CD GLU A 121 2.279 12.251 11.092 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.306 12.325 11.804 1.00 2.52 O ATOM 1804 OE2 GLU A 121 1.371 11.428 11.312 1.00 2.75 O ATOM 0 H GLU A 121 1.151 14.080 7.840 1.00 0.93 H new ATOM 0 HA GLU A 121 3.103 12.335 6.709 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.788 12.137 9.107 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.655 13.795 8.553 1.00 1.31 H new ATOM 0 HG2 GLU A 121 2.293 14.224 10.276 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.097 13.160 9.563 1.00 1.55 H new ATOM 1811 N LEU A 122 2.629 10.019 7.771 1.00 0.92 N ATOM 1812 CA LEU A 122 2.190 8.636 7.934 1.00 0.87 C ATOM 1813 C LEU A 122 1.736 8.377 9.365 1.00 0.82 C ATOM 1814 O LEU A 122 2.331 8.892 10.311 1.00 0.95 O ATOM 1815 CB LEU A 122 3.325 7.674 7.576 1.00 1.18 C ATOM 1816 CG LEU A 122 3.985 7.913 6.217 1.00 1.80 C ATOM 1817 CD1 LEU A 122 5.014 6.836 5.934 1.00 2.45 C ATOM 1818 CD2 LEU A 122 2.937 7.959 5.115 1.00 2.70 C ATOM 0 H LEU A 122 3.639 10.131 7.688 1.00 0.92 H new ATOM 0 HA LEU A 122 1.348 8.468 7.262 1.00 0.87 H new ATOM 0 HB2 LEU A 122 4.091 7.739 8.349 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.936 6.656 7.598 1.00 1.18 H new ATOM 0 HG LEU A 122 4.494 8.877 6.243 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.475 7.019 4.964 1.00 2.45 H new ATOM 0 HD12 LEU A 122 5.780 6.852 6.709 1.00 2.45 H new ATOM 0 HD13 LEU A 122 4.527 5.861 5.926 1.00 2.45 H new ATOM 0 HD21 LEU A 122 3.425 8.130 4.156 1.00 2.70 H new ATOM 0 HD22 LEU A 122 2.399 7.012 5.085 1.00 2.70 H new ATOM 0 HD23 LEU A 122 2.235 8.769 5.314 1.00 2.70 H new ATOM 1830 N PRO A 123 0.709 7.528 9.539 1.00 0.77 N ATOM 1831 CA PRO A 123 0.061 7.302 10.842 1.00 0.88 C ATOM 1832 C PRO A 123 0.801 6.300 11.724 1.00 0.92 C ATOM 1833 O PRO A 123 0.374 6.021 12.847 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.284 6.716 10.424 1.00 1.00 C ATOM 1835 CG PRO A 123 -0.946 5.902 9.223 1.00 0.95 C ATOM 1836 CD PRO A 123 0.086 6.707 8.475 1.00 0.79 C ATOM 0 HA PRO A 123 0.017 8.213 11.439 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.719 6.105 11.215 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.008 7.497 10.190 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -0.553 4.926 9.507 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -1.828 5.724 8.608 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.816 6.066 7.981 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.369 7.327 7.702 1.00 0.79 H new ATOM 1844 N ALA A 124 1.902 5.756 11.199 1.00 0.89 N ATOM 1845 CA ALA A 124 2.618 4.647 11.837 1.00 1.09 C ATOM 1846 C ALA A 124 1.715 3.421 11.915 1.00 1.10 C ATOM 1847 O ALA A 124 1.954 2.487 12.684 1.00 1.27 O ATOM 1848 CB ALA A 124 3.118 5.031 13.221 1.00 1.34 C ATOM 0 H ALA A 124 2.321 6.070 10.324 1.00 0.89 H new ATOM 0 HA ALA A 124 3.490 4.410 11.227 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.644 4.186 13.665 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.797 5.879 13.140 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.271 5.303 13.851 1.00 1.34 H new ATOM 1854 N ASP A 125 0.689 3.438 11.084 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.279 2.363 11.017 1.00 1.03 C ATOM 1856 C ASP A 125 -0.231 1.734 9.639 1.00 0.87 C ATOM 1857 O ASP A 125 0.085 2.404 8.657 1.00 0.90 O ATOM 1858 CB ASP A 125 -1.690 2.891 11.302 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.736 1.791 11.289 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.806 1.013 12.264 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.497 1.711 10.306 1.00 2.36 O ATOM 0 H ASP A 125 0.504 4.202 10.434 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.034 1.615 11.771 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -1.700 3.386 12.273 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -1.950 3.644 10.558 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.547 0.462 9.569 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.480 -0.270 8.319 1.00 0.73 C ATOM 1868 C LEU A 126 -1.836 -0.902 8.035 1.00 0.76 C ATOM 1869 O LEU A 126 -2.217 -1.892 8.661 1.00 0.86 O ATOM 1870 CB LEU A 126 0.638 -1.322 8.388 1.00 0.75 C ATOM 1871 CG LEU A 126 1.133 -1.881 7.046 1.00 0.94 C ATOM 1872 CD1 LEU A 126 0.129 -2.843 6.436 1.00 1.67 C ATOM 1873 CD2 LEU A 126 1.437 -0.749 6.075 1.00 1.83 C ATOM 0 H LEU A 126 -0.855 -0.093 10.367 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.242 0.407 7.499 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.488 -0.883 8.910 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.286 -2.155 8.996 1.00 0.75 H new ATOM 0 HG LEU A 126 2.051 -2.436 7.240 1.00 0.94 H new ATOM 0 HD11 LEU A 126 0.514 -3.218 5.488 1.00 1.67 H new ATOM 0 HD12 LEU A 126 -0.034 -3.678 7.117 1.00 1.67 H new ATOM 0 HD13 LEU A 126 -0.814 -2.324 6.265 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.786 -1.164 5.130 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.533 -0.165 5.903 1.00 1.83 H new ATOM 0 HD23 LEU A 126 2.210 -0.106 6.496 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.595 -0.302 7.118 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.949 -0.743 6.795 1.00 0.89 C ATOM 1887 C PRO A 127 -3.967 -1.981 5.905 1.00 0.85 C ATOM 1888 O PRO A 127 -3.076 -2.177 5.083 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.555 0.456 6.049 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.528 1.541 6.087 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.211 0.869 6.326 1.00 0.78 C ATOM 0 HA PRO A 127 -4.500 -1.029 7.691 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.800 0.190 5.021 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.481 0.781 6.524 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -3.516 2.097 5.150 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -3.748 2.257 6.879 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.724 0.586 5.393 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.517 1.514 6.865 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.991 -2.836 6.069 1.00 0.99 N ATOM 1900 CA PRO A 128 -5.171 -4.046 5.251 1.00 1.06 C ATOM 1901 C PRO A 128 -5.161 -3.756 3.756 1.00 1.01 C ATOM 1902 O PRO A 128 -4.652 -4.548 2.968 1.00 1.15 O ATOM 1903 CB PRO A 128 -6.541 -4.571 5.665 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.780 -4.012 7.023 1.00 1.34 C ATOM 1905 CD PRO A 128 -6.040 -2.705 7.094 1.00 1.15 C ATOM 0 HA PRO A 128 -4.357 -4.753 5.414 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -7.313 -4.250 4.966 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -6.557 -5.661 5.680 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.846 -3.862 7.197 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.425 -4.699 7.791 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.698 -1.861 6.886 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.613 -2.541 8.084 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.709 -2.611 3.367 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.731 -2.239 1.956 1.00 0.96 C ATOM 1915 C HIS A 129 -4.403 -1.615 1.534 1.00 0.94 C ATOM 1916 O HIS A 129 -4.343 -0.930 0.524 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.905 -1.297 1.617 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.843 0.081 2.224 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.345 0.385 3.473 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.363 1.246 1.725 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.180 1.674 3.710 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.585 2.221 2.667 1.00 1.48 N ATOM 0 H HIS A 129 -6.138 -1.933 3.997 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.880 -3.158 1.390 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.960 -1.193 0.533 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.831 -1.773 1.939 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.892 1.383 0.763 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.482 2.193 4.608 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.332 3.205 2.575 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.357 -1.846 2.330 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.988 -1.443 1.973 1.00 0.69 C ATOM 1933 C LEU A 130 -0.985 -2.533 2.345 1.00 0.69 C ATOM 1934 O LEU A 130 0.215 -2.272 2.411 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.579 -0.157 2.691 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.585 1.133 1.871 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -3.000 1.622 1.629 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.760 2.198 2.574 1.00 1.29 C ATOM 0 H LEU A 130 -3.430 -2.313 3.234 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.981 -1.278 0.896 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.245 -0.019 3.543 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.575 -0.298 3.091 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.138 0.925 0.899 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.972 2.541 1.043 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.560 0.861 1.085 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.487 1.816 2.585 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -0.769 3.114 1.983 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -1.185 2.396 3.558 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.266 1.848 2.685 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.461 -3.750 2.593 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.554 -4.830 2.953 1.00 0.84 C ATOM 1952 C VAL A 131 0.155 -5.361 1.708 1.00 0.76 C ATOM 1953 O VAL A 131 -0.480 -5.850 0.772 1.00 0.76 O ATOM 1954 CB VAL A 131 -1.261 -5.990 3.708 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -1.897 -5.482 4.988 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -2.304 -6.680 2.844 1.00 1.59 C ATOM 0 H VAL A 131 -2.447 -4.008 2.552 1.00 0.76 H new ATOM 0 HA VAL A 131 0.179 -4.410 3.641 1.00 0.84 H new ATOM 0 HB VAL A 131 -0.497 -6.727 3.955 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -2.387 -6.308 5.503 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -1.128 -5.057 5.633 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -2.634 -4.715 4.749 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -2.773 -7.484 3.412 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -3.063 -5.958 2.543 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -1.825 -7.094 1.957 1.00 1.59 H new ATOM 1966 N PRO A 132 1.484 -5.220 1.653 1.00 0.78 N ATOM 1967 CA PRO A 132 2.271 -5.718 0.529 1.00 0.79 C ATOM 1968 C PRO A 132 2.270 -7.245 0.474 1.00 0.83 C ATOM 1969 O PRO A 132 2.740 -7.910 1.408 1.00 0.85 O ATOM 1970 CB PRO A 132 3.682 -5.190 0.808 1.00 0.90 C ATOM 1971 CG PRO A 132 3.716 -4.947 2.276 1.00 1.04 C ATOM 1972 CD PRO A 132 2.320 -4.543 2.660 1.00 0.88 C ATOM 0 HA PRO A 132 1.872 -5.390 -0.431 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.441 -5.913 0.510 1.00 0.90 H new ATOM 0 HB3 PRO A 132 3.878 -4.274 0.251 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.025 -5.844 2.813 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.432 -4.164 2.526 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.072 -4.865 3.671 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.191 -3.461 2.629 1.00 0.88 H new