USER MOD reduce.3.24.130724 H: found=0, std=0, add=1128, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1124 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 27 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.2) USER MOD Set 2.1: A 36 CYS SG : rot -141:sc= 1.36 USER MOD Set 2.2: A 39 CYS SG : rot 160:sc= -0.0547 USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 18 SER OG : rot 180:sc= -0.025 USER MOD Set 4.1: A 4 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.23) USER MOD Set 4.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.173 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.0374 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 126:sc= -0.183 USER MOD Single : A 14 ASN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= -1.29 (180deg=-4.08!) USER MOD Single : A 34 SER OG : rot -149:sc= 1.87 USER MOD Single : A 41 SER OG : rot -56:sc= 0.28 USER MOD Single : A 45 GLN : amide:sc= -4.78! C(o=-4.8!,f=-6.2!) USER MOD Single : A 46 THR OG1 : rot 77:sc= 0.49 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.045) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -110:sc= -0.0735 USER MOD Single : A 65 SER OG : rot 160:sc= -0.177 USER MOD Single : A 70 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.02! C(o=-2!,f=-4.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -27:sc= 0.228 USER MOD Single : A 85 ASN : amide:sc= -1.02 K(o=-1,f=-2.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 95 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.67) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 30:sc= -0.196 USER MOD Single : A 110 SER OG : rot 82:sc= 1.3 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.43) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.128 USER MOD Single : A 129 ASN : amide:sc=-0.00428 K(o=-0.0043,f=-10!) USER MOD Single : A 132 GLN : amide:sc= -1.38 K(o=-1.4,f=-8.9!) USER MOD Single : A 141 ASN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.211 -11.286 14.080 1.00 0.00 N ATOM 2 CA MET A 1 11.020 -10.186 13.151 1.00 0.00 C ATOM 3 C MET A 1 10.417 -8.971 13.857 1.00 0.00 C ATOM 4 O MET A 1 10.642 -8.764 15.049 1.00 0.00 O ATOM 5 CB MET A 1 10.092 -10.631 12.017 1.00 0.00 C ATOM 6 CG MET A 1 10.577 -10.091 10.670 1.00 0.00 C ATOM 7 SD MET A 1 9.219 -9.346 9.785 1.00 0.00 S ATOM 8 CE MET A 1 9.082 -10.480 8.414 1.00 0.00 C ATOM 0 H1 MET A 1 12.090 -11.790 13.845 1.00 0.00 H new ATOM 0 H2 MET A 1 11.273 -10.915 15.050 1.00 0.00 H new ATOM 0 H3 MET A 1 10.407 -11.942 14.011 1.00 0.00 H new ATOM 0 HA MET A 1 11.992 -9.903 12.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.049 -11.720 11.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.079 -10.278 12.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.366 -9.356 10.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.007 -10.899 10.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.030 -10.656 8.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.572 -10.054 7.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.560 -11.424 8.674 1.00 0.00 H new ATOM 18 N VAL A 2 9.662 -8.196 13.093 1.00 0.00 N ATOM 19 CA VAL A 2 9.024 -7.005 13.631 1.00 0.00 C ATOM 20 C VAL A 2 7.553 -6.986 13.211 1.00 0.00 C ATOM 21 O VAL A 2 7.136 -6.129 12.432 1.00 0.00 O ATOM 22 CB VAL A 2 9.788 -5.757 13.187 1.00 0.00 C ATOM 23 CG1 VAL A 2 11.241 -5.804 13.666 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.718 -5.580 11.669 1.00 0.00 C ATOM 0 H VAL A 2 9.477 -8.369 12.105 1.00 0.00 H new ATOM 0 HA VAL A 2 9.051 -7.016 14.721 1.00 0.00 H new ATOM 0 HB VAL A 2 9.310 -4.892 13.647 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.762 -4.905 13.337 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.264 -5.859 14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.734 -6.682 13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.270 -4.685 11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.157 -6.450 11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.677 -5.479 11.362 1.00 0.00 H new ATOM 34 N PRO A 3 6.785 -7.966 13.758 1.00 0.00 N ATOM 35 CA PRO A 3 5.369 -8.070 13.450 1.00 0.00 C ATOM 36 C PRO A 3 4.569 -6.990 14.177 1.00 0.00 C ATOM 37 O PRO A 3 3.753 -6.300 13.568 1.00 0.00 O ATOM 38 CB PRO A 3 4.979 -9.479 13.864 1.00 0.00 C ATOM 39 CG PRO A 3 6.068 -9.952 14.812 1.00 0.00 C ATOM 40 CD PRO A 3 7.245 -8.999 14.684 1.00 0.00 C ATOM 0 HA PRO A 3 5.155 -7.906 12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.005 -9.487 14.353 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.905 -10.135 12.996 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.700 -9.968 15.838 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.372 -10.969 14.566 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.517 -8.573 15.650 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.129 -9.510 14.301 1.00 0.00 H new ATOM 48 N HIS A 4 4.831 -6.874 15.471 1.00 0.00 N ATOM 49 CA HIS A 4 4.144 -5.888 16.289 1.00 0.00 C ATOM 50 C HIS A 4 4.242 -4.513 15.625 1.00 0.00 C ATOM 51 O HIS A 4 3.307 -3.716 15.699 1.00 0.00 O ATOM 52 CB HIS A 4 4.688 -5.896 17.719 1.00 0.00 C ATOM 53 CG HIS A 4 5.909 -5.031 17.917 1.00 0.00 C ATOM 54 ND1 HIS A 4 5.835 -3.710 18.328 1.00 0.00 N ATOM 55 CD2 HIS A 4 7.234 -5.310 17.757 1.00 0.00 C ATOM 56 CE1 HIS A 4 7.066 -3.228 18.407 1.00 0.00 C ATOM 57 NE2 HIS A 4 7.933 -4.220 18.052 1.00 0.00 N ATOM 0 H HIS A 4 5.510 -7.446 15.973 1.00 0.00 H new ATOM 0 HA HIS A 4 3.087 -6.143 16.362 1.00 0.00 H new ATOM 0 HB2 HIS A 4 3.904 -5.560 18.397 1.00 0.00 H new ATOM 0 HB3 HIS A 4 4.933 -6.921 17.998 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.646 -6.258 17.443 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.336 -2.225 18.701 1.00 0.00 H new ATOM 0 HE2 HIS A 4 8.949 -4.138 18.019 1.00 0.00 H new ATOM 66 N THR A 5 5.382 -4.277 14.991 1.00 0.00 N ATOM 67 CA THR A 5 5.613 -3.012 14.315 1.00 0.00 C ATOM 68 C THR A 5 4.698 -2.884 13.095 1.00 0.00 C ATOM 69 O THR A 5 4.038 -1.863 12.914 1.00 0.00 O ATOM 70 CB THR A 5 7.101 -2.927 13.970 1.00 0.00 C ATOM 71 OG1 THR A 5 7.724 -2.585 15.205 1.00 0.00 O ATOM 72 CG2 THR A 5 7.422 -1.745 13.051 1.00 0.00 C ATOM 0 H THR A 5 6.155 -4.940 14.932 1.00 0.00 H new ATOM 0 HA THR A 5 5.364 -2.168 14.958 1.00 0.00 H new ATOM 0 HB THR A 5 7.417 -3.855 13.493 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.692 -2.511 15.073 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.491 -1.730 12.837 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.867 -1.848 12.119 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.138 -0.814 13.542 1.00 0.00 H new ATOM 80 N LEU A 6 4.689 -3.936 12.290 1.00 0.00 N ATOM 81 CA LEU A 6 3.866 -3.954 11.091 1.00 0.00 C ATOM 82 C LEU A 6 2.392 -3.886 11.491 1.00 0.00 C ATOM 83 O LEU A 6 1.605 -3.183 10.857 1.00 0.00 O ATOM 84 CB LEU A 6 4.212 -5.166 10.222 1.00 0.00 C ATOM 85 CG LEU A 6 3.708 -5.121 8.779 1.00 0.00 C ATOM 86 CD1 LEU A 6 4.751 -4.495 7.853 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.280 -6.512 8.304 1.00 0.00 C ATOM 0 H LEU A 6 5.238 -4.782 12.444 1.00 0.00 H new ATOM 0 HA LEU A 6 4.071 -3.079 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.296 -5.278 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.807 -6.058 10.700 1.00 0.00 H new ATOM 0 HG LEU A 6 2.825 -4.483 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.367 -4.475 6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.964 -3.477 8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.667 -5.085 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.926 -6.452 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.130 -7.192 8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.479 -6.884 8.942 1.00 0.00 H new ATOM 99 N SER A 7 2.060 -4.624 12.539 1.00 0.00 N ATOM 100 CA SER A 7 0.692 -4.656 13.031 1.00 0.00 C ATOM 101 C SER A 7 0.379 -3.365 13.789 1.00 0.00 C ATOM 102 O SER A 7 -0.784 -2.989 13.928 1.00 0.00 O ATOM 103 CB SER A 7 0.458 -5.871 13.931 1.00 0.00 C ATOM 104 OG SER A 7 0.233 -7.059 13.176 1.00 0.00 O ATOM 0 H SER A 7 2.715 -5.205 13.062 1.00 0.00 H new ATOM 0 HA SER A 7 0.022 -4.739 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.322 -6.013 14.581 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.400 -5.684 14.577 1.00 0.00 H new ATOM 0 HG SER A 7 0.090 -7.812 13.786 1.00 0.00 H new ATOM 110 N THR A 8 1.437 -2.721 14.261 1.00 0.00 N ATOM 111 CA THR A 8 1.289 -1.481 15.002 1.00 0.00 C ATOM 112 C THR A 8 0.858 -0.348 14.066 1.00 0.00 C ATOM 113 O THR A 8 0.300 0.652 14.513 1.00 0.00 O ATOM 114 CB THR A 8 2.608 -1.202 15.725 1.00 0.00 C ATOM 115 OG1 THR A 8 2.448 -1.832 16.994 1.00 0.00 O ATOM 116 CG2 THR A 8 2.788 0.279 16.065 1.00 0.00 C ATOM 0 H THR A 8 2.400 -3.036 14.144 1.00 0.00 H new ATOM 0 HA THR A 8 0.501 -1.560 15.751 1.00 0.00 H new ATOM 0 HB THR A 8 3.440 -1.536 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.519 -2.804 16.888 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.740 0.422 16.577 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.778 0.867 15.147 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.975 0.605 16.714 1.00 0.00 H new ATOM 124 N LEU A 9 1.133 -0.546 12.785 1.00 0.00 N ATOM 125 CA LEU A 9 0.783 0.446 11.783 1.00 0.00 C ATOM 126 C LEU A 9 -0.713 0.754 11.880 1.00 0.00 C ATOM 127 O LEU A 9 -1.527 -0.152 12.051 1.00 0.00 O ATOM 128 CB LEU A 9 1.227 -0.016 10.394 1.00 0.00 C ATOM 129 CG LEU A 9 2.648 0.374 9.980 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.739 1.872 9.681 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.665 -0.064 11.034 1.00 0.00 C ATOM 0 H LEU A 9 1.594 -1.379 12.418 1.00 0.00 H new ATOM 0 HA LEU A 9 1.315 1.379 11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.142 -1.102 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.532 0.389 9.659 1.00 0.00 H new ATOM 0 HG LEU A 9 2.894 -0.154 9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.759 2.123 9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.057 2.123 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.466 2.438 10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.667 0.225 10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.434 0.417 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.621 -1.146 11.154 1.00 0.00 H new ATOM 143 N LYS A 10 -1.030 2.035 11.764 1.00 0.00 N ATOM 144 CA LYS A 10 -2.414 2.473 11.836 1.00 0.00 C ATOM 145 C LYS A 10 -2.772 3.225 10.554 1.00 0.00 C ATOM 146 O LYS A 10 -1.951 3.962 10.010 1.00 0.00 O ATOM 147 CB LYS A 10 -2.653 3.283 13.112 1.00 0.00 C ATOM 148 CG LYS A 10 -3.318 2.425 14.189 1.00 0.00 C ATOM 149 CD LYS A 10 -2.291 1.943 15.216 1.00 0.00 C ATOM 150 CE LYS A 10 -2.726 2.304 16.638 1.00 0.00 C ATOM 151 NZ LYS A 10 -2.312 1.250 17.591 1.00 0.00 N ATOM 0 H LYS A 10 -0.352 2.784 11.621 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.083 1.615 11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.704 3.670 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.283 4.144 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.096 3.002 14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.805 1.567 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.168 0.863 15.133 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.321 2.392 15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.286 3.258 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.808 2.429 16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.615 1.511 18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.752 0.347 17.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.277 1.150 17.570 1.00 0.00 H new ATOM 164 N THR A 11 -4.002 3.014 10.106 1.00 0.00 N ATOM 165 CA THR A 11 -4.480 3.664 8.898 1.00 0.00 C ATOM 166 C THR A 11 -5.008 5.064 9.217 1.00 0.00 C ATOM 167 O THR A 11 -5.191 5.411 10.383 1.00 0.00 O ATOM 168 CB THR A 11 -5.526 2.752 8.253 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.557 2.659 9.232 1.00 0.00 O ATOM 170 CG2 THR A 11 -5.031 1.314 8.096 1.00 0.00 C ATOM 0 H THR A 11 -4.681 2.402 10.558 1.00 0.00 H new ATOM 0 HA THR A 11 -3.671 3.812 8.183 1.00 0.00 H new ATOM 0 HB THR A 11 -5.801 3.150 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.414 2.911 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.811 0.709 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.141 1.302 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.787 0.904 9.076 1.00 0.00 H new ATOM 178 N ALA A 12 -5.240 5.829 8.161 1.00 0.00 N ATOM 179 CA ALA A 12 -5.745 7.184 8.314 1.00 0.00 C ATOM 180 C ALA A 12 -7.052 7.149 9.106 1.00 0.00 C ATOM 181 O ALA A 12 -7.481 8.166 9.650 1.00 0.00 O ATOM 182 CB ALA A 12 -5.914 7.825 6.936 1.00 0.00 C ATOM 0 H ALA A 12 -5.088 5.537 7.196 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.038 7.797 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.293 8.841 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.951 7.852 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.619 7.240 6.346 1.00 0.00 H new ATOM 188 N ASP A 13 -7.652 5.968 9.147 1.00 0.00 N ATOM 189 CA ASP A 13 -8.903 5.787 9.864 1.00 0.00 C ATOM 190 C ASP A 13 -8.605 5.346 11.298 1.00 0.00 C ATOM 191 O ASP A 13 -9.502 4.901 12.013 1.00 0.00 O ATOM 192 CB ASP A 13 -9.764 4.707 9.206 1.00 0.00 C ATOM 193 CG ASP A 13 -11.125 5.186 8.696 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.344 5.309 7.481 1.00 0.00 O ATOM 195 OD2 ASP A 13 -11.992 5.441 9.615 1.00 0.00 O ATOM 0 H ASP A 13 -7.295 5.126 8.695 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.440 6.735 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.209 4.281 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.925 3.904 9.925 1.00 0.00 H new ATOM 201 N ASN A 14 -7.343 5.486 11.676 1.00 0.00 N ATOM 202 CA ASN A 14 -6.915 5.107 13.014 1.00 0.00 C ATOM 203 C ASN A 14 -7.218 3.625 13.239 1.00 0.00 C ATOM 204 O ASN A 14 -7.430 3.197 14.372 1.00 0.00 O ATOM 205 CB ASN A 14 -7.665 5.911 14.078 1.00 0.00 C ATOM 206 CG ASN A 14 -6.688 6.582 15.045 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.680 7.791 15.220 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.868 5.736 15.661 1.00 0.00 N ATOM 0 H ASN A 14 -6.603 5.856 11.080 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.847 5.306 13.098 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.285 6.668 13.598 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.336 5.253 14.631 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.179 6.087 16.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.928 4.736 15.468 1.00 0.00 H new ATOM 215 N ARG A 15 -7.226 2.882 12.141 1.00 0.00 N ATOM 216 CA ARG A 15 -7.498 1.456 12.208 1.00 0.00 C ATOM 217 C ARG A 15 -6.188 0.664 12.192 1.00 0.00 C ATOM 218 O ARG A 15 -5.172 1.150 11.701 1.00 0.00 O ATOM 219 CB ARG A 15 -8.371 1.007 11.033 1.00 0.00 C ATOM 220 CG ARG A 15 -9.757 0.574 11.514 1.00 0.00 C ATOM 221 CD ARG A 15 -10.841 1.010 10.525 1.00 0.00 C ATOM 222 NE ARG A 15 -11.986 0.074 10.585 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.972 0.141 11.506 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.959 1.101 12.455 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.946 -0.747 11.465 1.00 0.00 N ATOM 0 H ARG A 15 -7.049 3.240 11.202 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.032 1.263 13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.469 1.822 10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.888 0.180 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.783 -0.509 11.633 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.958 1.007 12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.174 2.021 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.434 1.035 9.514 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.034 -0.668 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.201 1.783 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.707 1.145 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.947 -1.470 10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.698 -0.711 12.153 1.00 0.00 H new ATOM 238 N PRO A 16 -6.259 -0.574 12.749 1.00 0.00 N ATOM 239 CA PRO A 16 -5.092 -1.437 12.804 1.00 0.00 C ATOM 240 C PRO A 16 -4.788 -2.037 11.429 1.00 0.00 C ATOM 241 O PRO A 16 -5.662 -2.629 10.799 1.00 0.00 O ATOM 242 CB PRO A 16 -5.429 -2.489 13.848 1.00 0.00 C ATOM 243 CG PRO A 16 -6.941 -2.453 14.003 1.00 0.00 C ATOM 244 CD PRO A 16 -7.448 -1.183 13.340 1.00 0.00 C ATOM 0 HA PRO A 16 -4.184 -0.899 13.078 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.092 -3.476 13.531 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.934 -2.272 14.795 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.393 -3.331 13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.217 -2.469 15.057 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.198 -1.405 12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.915 -0.517 14.065 1.00 0.00 H new ATOM 252 N ALA A 17 -3.545 -1.862 11.005 1.00 0.00 N ATOM 253 CA ALA A 17 -3.114 -2.377 9.717 1.00 0.00 C ATOM 254 C ALA A 17 -3.571 -3.831 9.576 1.00 0.00 C ATOM 255 O ALA A 17 -3.794 -4.310 8.465 1.00 0.00 O ATOM 256 CB ALA A 17 -1.597 -2.227 9.588 1.00 0.00 C ATOM 0 H ALA A 17 -2.822 -1.370 11.531 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.567 -1.808 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.274 -2.614 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.328 -1.174 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.107 -2.787 10.385 1.00 0.00 H new ATOM 262 N SER A 18 -3.698 -4.490 10.717 1.00 0.00 N ATOM 263 CA SER A 18 -4.124 -5.880 10.734 1.00 0.00 C ATOM 264 C SER A 18 -5.462 -6.026 10.008 1.00 0.00 C ATOM 265 O SER A 18 -5.836 -7.125 9.599 1.00 0.00 O ATOM 266 CB SER A 18 -4.239 -6.403 12.167 1.00 0.00 C ATOM 267 OG SER A 18 -3.374 -7.511 12.403 1.00 0.00 O ATOM 0 H SER A 18 -3.514 -4.089 11.636 1.00 0.00 H new ATOM 0 HA SER A 18 -3.371 -6.475 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.000 -5.601 12.866 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.269 -6.700 12.363 1.00 0.00 H new ATOM 0 HG SER A 18 -3.476 -7.814 13.329 1.00 0.00 H new ATOM 273 N VAL A 19 -6.149 -4.901 9.867 1.00 0.00 N ATOM 274 CA VAL A 19 -7.438 -4.890 9.196 1.00 0.00 C ATOM 275 C VAL A 19 -7.325 -5.650 7.873 1.00 0.00 C ATOM 276 O VAL A 19 -8.190 -6.463 7.546 1.00 0.00 O ATOM 277 CB VAL A 19 -7.923 -3.449 9.018 1.00 0.00 C ATOM 278 CG1 VAL A 19 -8.471 -2.890 10.333 1.00 0.00 C ATOM 279 CG2 VAL A 19 -6.807 -2.559 8.466 1.00 0.00 C ATOM 0 H VAL A 19 -5.837 -3.991 10.206 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.188 -5.399 9.801 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.736 -3.455 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.809 -1.865 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.308 -3.502 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.686 -2.904 11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.178 -1.541 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.964 -2.561 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.483 -2.940 7.498 1.00 0.00 H new ATOM 289 N TYR A 20 -6.255 -5.359 7.149 1.00 0.00 N ATOM 290 CA TYR A 20 -6.020 -6.005 5.869 1.00 0.00 C ATOM 291 C TYR A 20 -4.796 -6.922 5.935 1.00 0.00 C ATOM 292 O TYR A 20 -4.168 -7.199 4.914 1.00 0.00 O ATOM 293 CB TYR A 20 -5.746 -4.878 4.871 1.00 0.00 C ATOM 294 CG TYR A 20 -7.001 -4.336 4.185 1.00 0.00 C ATOM 295 CD1 TYR A 20 -7.556 -5.017 3.122 1.00 0.00 C ATOM 296 CD2 TYR A 20 -7.578 -3.164 4.630 1.00 0.00 C ATOM 297 CE1 TYR A 20 -8.737 -4.507 2.476 1.00 0.00 C ATOM 298 CE2 TYR A 20 -8.759 -2.653 3.984 1.00 0.00 C ATOM 299 CZ TYR A 20 -9.282 -3.350 2.940 1.00 0.00 C ATOM 300 OH TYR A 20 -10.397 -2.868 2.330 1.00 0.00 O ATOM 0 H TYR A 20 -5.541 -4.685 7.424 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.877 -6.616 5.584 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.246 -4.060 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.056 -5.241 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.104 -5.934 2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.144 -2.630 5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.180 -5.031 1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.219 -1.736 4.321 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.676 -2.036 2.767 1.00 0.00 H new ATOM 310 N LEU A 21 -4.491 -7.365 7.145 1.00 0.00 N ATOM 311 CA LEU A 21 -3.354 -8.244 7.357 1.00 0.00 C ATOM 312 C LEU A 21 -3.768 -9.394 8.277 1.00 0.00 C ATOM 313 O LEU A 21 -3.874 -9.216 9.490 1.00 0.00 O ATOM 314 CB LEU A 21 -2.151 -7.449 7.869 1.00 0.00 C ATOM 315 CG LEU A 21 -1.073 -7.122 6.833 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.809 -5.616 6.774 1.00 0.00 C ATOM 317 CD2 LEU A 21 0.205 -7.917 7.104 1.00 0.00 C ATOM 0 H LEU A 21 -5.012 -7.131 7.990 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.035 -8.689 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.513 -6.513 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.688 -8.010 8.681 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.439 -7.424 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.039 -5.410 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.727 -5.096 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.473 -5.267 7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.955 -7.667 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.585 -7.668 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.013 -8.984 7.057 1.00 0.00 H new ATOM 329 N LYS A 22 -3.992 -10.548 7.665 1.00 0.00 N ATOM 330 CA LYS A 22 -4.391 -11.727 8.414 1.00 0.00 C ATOM 331 C LYS A 22 -4.971 -12.765 7.452 1.00 0.00 C ATOM 332 O LYS A 22 -4.900 -12.597 6.235 1.00 0.00 O ATOM 333 CB LYS A 22 -5.343 -11.343 9.550 1.00 0.00 C ATOM 334 CG LYS A 22 -4.617 -11.344 10.897 1.00 0.00 C ATOM 335 CD LYS A 22 -5.343 -10.459 11.911 1.00 0.00 C ATOM 336 CE LYS A 22 -5.820 -11.280 13.111 1.00 0.00 C ATOM 337 NZ LYS A 22 -4.920 -11.079 14.268 1.00 0.00 N ATOM 0 H LYS A 22 -3.905 -10.691 6.659 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.526 -12.184 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.763 -10.355 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.178 -12.043 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.552 -12.363 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.595 -10.988 10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.677 -9.666 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.196 -9.977 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.836 -10.988 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.851 -12.337 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.259 -11.643 15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.957 -11.379 14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.911 -10.073 14.530 1.00 0.00 H new ATOM 350 N LYS A 23 -5.531 -13.817 8.032 1.00 0.00 N ATOM 351 CA LYS A 23 -6.121 -14.882 7.241 1.00 0.00 C ATOM 352 C LYS A 23 -5.019 -15.611 6.470 1.00 0.00 C ATOM 353 O LYS A 23 -5.275 -16.198 5.420 1.00 0.00 O ATOM 354 CB LYS A 23 -7.236 -14.332 6.349 1.00 0.00 C ATOM 355 CG LYS A 23 -8.405 -15.315 6.264 1.00 0.00 C ATOM 356 CD LYS A 23 -9.674 -14.616 5.770 1.00 0.00 C ATOM 357 CE LYS A 23 -10.610 -14.291 6.934 1.00 0.00 C ATOM 358 NZ LYS A 23 -10.518 -12.858 7.292 1.00 0.00 N ATOM 0 H LYS A 23 -5.588 -13.954 9.041 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.597 -15.618 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.586 -13.378 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.845 -14.139 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.149 -16.132 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.586 -15.756 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.407 -13.698 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.189 -15.254 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.636 -14.538 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.352 -14.904 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.161 -12.656 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.542 -12.632 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.786 -12.277 6.472 1.00 0.00 H new ATOM 371 N ASP A 24 -3.814 -15.548 7.020 1.00 0.00 N ATOM 372 CA ASP A 24 -2.672 -16.194 6.397 1.00 0.00 C ATOM 373 C ASP A 24 -2.704 -15.934 4.890 1.00 0.00 C ATOM 374 O ASP A 24 -2.343 -16.804 4.098 1.00 0.00 O ATOM 375 CB ASP A 24 -2.708 -17.708 6.616 1.00 0.00 C ATOM 376 CG ASP A 24 -2.105 -18.185 7.940 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.125 -17.463 8.947 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.591 -19.367 7.908 1.00 0.00 O ATOM 0 H ASP A 24 -3.605 -15.059 7.890 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.767 -15.786 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.744 -18.043 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.176 -18.191 5.797 1.00 0.00 H new ATOM 384 N LYS A 25 -3.139 -14.734 4.538 1.00 0.00 N ATOM 385 CA LYS A 25 -3.224 -14.347 3.140 1.00 0.00 C ATOM 386 C LYS A 25 -2.093 -13.369 2.818 1.00 0.00 C ATOM 387 O LYS A 25 -1.501 -12.778 3.719 1.00 0.00 O ATOM 388 CB LYS A 25 -4.616 -13.805 2.815 1.00 0.00 C ATOM 389 CG LYS A 25 -5.596 -14.947 2.530 1.00 0.00 C ATOM 390 CD LYS A 25 -6.775 -14.458 1.686 1.00 0.00 C ATOM 391 CE LYS A 25 -7.082 -15.440 0.554 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.479 -15.921 0.651 1.00 0.00 N ATOM 0 H LYS A 25 -3.437 -14.015 5.198 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.090 -15.216 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.982 -13.207 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.560 -13.144 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.080 -15.753 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.963 -15.360 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.655 -14.339 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.547 -13.477 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.924 -14.955 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.396 -16.285 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.672 -16.587 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.618 -16.402 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.130 -15.113 0.583 1.00 0.00 H new ATOM 405 N PRO A 26 -1.820 -13.221 1.493 1.00 0.00 N ATOM 406 CA PRO A 26 -0.771 -12.324 1.039 1.00 0.00 C ATOM 407 C PRO A 26 -1.215 -10.864 1.145 1.00 0.00 C ATOM 408 O PRO A 26 -2.389 -10.551 0.946 1.00 0.00 O ATOM 409 CB PRO A 26 -0.477 -12.753 -0.389 1.00 0.00 C ATOM 410 CG PRO A 26 -1.682 -13.562 -0.839 1.00 0.00 C ATOM 411 CD PRO A 26 -2.500 -13.903 0.396 1.00 0.00 C ATOM 0 HA PRO A 26 0.128 -12.384 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.326 -11.887 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.434 -13.350 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.281 -12.992 -1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.363 -14.471 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.530 -13.561 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.537 -14.980 0.562 1.00 0.00 H new ATOM 419 N THR A 27 -0.254 -10.008 1.459 1.00 0.00 N ATOM 420 CA THR A 27 -0.531 -8.587 1.594 1.00 0.00 C ATOM 421 C THR A 27 0.253 -7.790 0.549 1.00 0.00 C ATOM 422 O THR A 27 1.395 -8.120 0.239 1.00 0.00 O ATOM 423 CB THR A 27 -0.215 -8.179 3.033 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.895 -9.147 3.827 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.869 -6.851 3.423 1.00 0.00 C ATOM 0 H THR A 27 0.718 -10.271 1.624 1.00 0.00 H new ATOM 0 HA THR A 27 -1.582 -8.368 1.403 1.00 0.00 H new ATOM 0 HB THR A 27 0.865 -8.102 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.504 -9.167 4.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.613 -6.608 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.509 -6.061 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.952 -6.937 3.329 1.00 0.00 H new ATOM 433 N LEU A 28 -0.395 -6.754 0.035 1.00 0.00 N ATOM 434 CA LEU A 28 0.226 -5.906 -0.968 1.00 0.00 C ATOM 435 C LEU A 28 0.205 -4.454 -0.488 1.00 0.00 C ATOM 436 O LEU A 28 -0.844 -3.937 -0.112 1.00 0.00 O ATOM 437 CB LEU A 28 -0.440 -6.113 -2.331 1.00 0.00 C ATOM 438 CG LEU A 28 0.425 -5.800 -3.554 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.560 -6.816 -3.696 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.428 -5.713 -4.821 1.00 0.00 C ATOM 0 H LEU A 28 -1.343 -6.483 0.295 1.00 0.00 H new ATOM 0 HA LEU A 28 1.272 -6.181 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.769 -7.150 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.334 -5.492 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 28 0.884 -4.822 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.160 -6.571 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.189 -6.786 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.141 -7.816 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.211 -5.490 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.934 -6.665 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.170 -4.923 -4.707 1.00 0.00 H new ATOM 452 N ILE A 29 1.379 -3.839 -0.514 1.00 0.00 N ATOM 453 CA ILE A 29 1.508 -2.456 -0.085 1.00 0.00 C ATOM 454 C ILE A 29 1.764 -1.570 -1.305 1.00 0.00 C ATOM 455 O ILE A 29 2.361 -2.013 -2.285 1.00 0.00 O ATOM 456 CB ILE A 29 2.578 -2.331 1.002 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.413 -3.422 2.061 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.574 -0.929 1.616 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.722 -4.189 2.266 1.00 0.00 C ATOM 0 H ILE A 29 2.248 -4.272 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 29 0.581 -2.110 0.371 1.00 0.00 H new ATOM 0 HB ILE A 29 3.554 -2.477 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.098 -2.974 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.626 -4.113 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.343 -0.867 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.777 -0.191 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.599 -0.729 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.578 -4.959 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.021 -4.655 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.500 -3.499 2.593 1.00 0.00 H new ATOM 471 N LYS A 30 1.300 -0.333 -1.206 1.00 0.00 N ATOM 472 CA LYS A 30 1.471 0.619 -2.291 1.00 0.00 C ATOM 473 C LYS A 30 1.838 1.986 -1.710 1.00 0.00 C ATOM 474 O LYS A 30 1.011 2.635 -1.071 1.00 0.00 O ATOM 475 CB LYS A 30 0.229 0.644 -3.184 1.00 0.00 C ATOM 476 CG LYS A 30 0.471 1.487 -4.438 1.00 0.00 C ATOM 477 CD LYS A 30 0.235 2.971 -4.153 1.00 0.00 C ATOM 478 CE LYS A 30 -0.407 3.665 -5.358 1.00 0.00 C ATOM 479 NZ LYS A 30 -1.085 4.912 -4.938 1.00 0.00 N ATOM 0 H LYS A 30 0.806 0.032 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 30 2.294 0.315 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.037 -0.373 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.616 1.049 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.492 1.338 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.193 1.156 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.409 3.080 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.182 3.454 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.355 3.892 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.125 2.995 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.984 5.009 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.273 4.878 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.475 5.727 -5.151 1.00 0.00 H new ATOM 492 N PHE A 31 3.078 2.383 -1.951 1.00 0.00 N ATOM 493 CA PHE A 31 3.566 3.660 -1.460 1.00 0.00 C ATOM 494 C PHE A 31 3.151 4.801 -2.393 1.00 0.00 C ATOM 495 O PHE A 31 3.417 4.754 -3.592 1.00 0.00 O ATOM 496 CB PHE A 31 5.092 3.576 -1.425 1.00 0.00 C ATOM 497 CG PHE A 31 5.632 2.384 -0.629 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.777 1.174 -1.231 1.00 0.00 C ATOM 499 CD2 PHE A 31 5.964 2.537 0.680 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.277 0.069 -0.492 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.464 1.433 1.420 1.00 0.00 C ATOM 502 CZ PHE A 31 6.610 0.222 0.818 1.00 0.00 C ATOM 0 H PHE A 31 3.761 1.842 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 31 3.149 3.862 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.466 3.517 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.487 4.496 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.512 1.053 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.847 3.499 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.393 -0.893 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.728 1.555 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.990 -0.618 1.380 1.00 0.00 H new ATOM 512 N TRP A 32 2.507 5.799 -1.804 1.00 0.00 N ATOM 513 CA TRP A 32 2.053 6.949 -2.569 1.00 0.00 C ATOM 514 C TRP A 32 2.518 8.212 -1.841 1.00 0.00 C ATOM 515 O TRP A 32 2.952 8.147 -0.691 1.00 0.00 O ATOM 516 CB TRP A 32 0.538 6.903 -2.781 1.00 0.00 C ATOM 517 CG TRP A 32 -0.271 6.839 -1.484 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.260 5.876 -0.552 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.214 7.822 -1.010 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.125 6.166 0.483 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.724 7.387 0.196 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.624 9.039 -1.582 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.672 8.107 0.933 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.572 9.748 -0.833 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.095 9.323 0.383 1.00 0.00 C ATOM 0 H TRP A 32 2.289 5.835 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 32 2.486 6.944 -3.569 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.233 7.785 -3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.293 6.035 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.349 4.986 -0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.294 5.590 1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.239 9.399 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.056 7.744 1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.921 10.691 -1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.824 9.928 0.901 1.00 0.00 H new ATOM 536 N ALA A 33 2.410 9.332 -2.539 1.00 0.00 N ATOM 537 CA ALA A 33 2.813 10.609 -1.973 1.00 0.00 C ATOM 538 C ALA A 33 1.759 11.666 -2.311 1.00 0.00 C ATOM 539 O ALA A 33 1.407 11.848 -3.475 1.00 0.00 O ATOM 540 CB ALA A 33 4.202 10.983 -2.495 1.00 0.00 C ATOM 0 H ALA A 33 2.049 9.383 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 33 2.879 10.544 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.504 11.940 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.919 10.215 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.174 11.060 -3.582 1.00 0.00 H new ATOM 546 N SER A 34 1.286 12.337 -1.271 1.00 0.00 N ATOM 547 CA SER A 34 0.281 13.371 -1.442 1.00 0.00 C ATOM 548 C SER A 34 0.762 14.407 -2.459 1.00 0.00 C ATOM 549 O SER A 34 -0.047 15.050 -3.127 1.00 0.00 O ATOM 550 CB SER A 34 -0.044 14.050 -0.108 1.00 0.00 C ATOM 551 OG SER A 34 -1.431 13.970 0.208 1.00 0.00 O ATOM 0 H SER A 34 1.581 12.184 -0.307 1.00 0.00 H new ATOM 0 HA SER A 34 -0.630 12.902 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.537 13.583 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.258 15.096 -0.151 1.00 0.00 H new ATOM 0 HG SER A 34 -1.696 14.762 0.721 1.00 0.00 H new ATOM 557 N TRP A 35 2.078 14.535 -2.550 1.00 0.00 N ATOM 558 CA TRP A 35 2.677 15.480 -3.475 1.00 0.00 C ATOM 559 C TRP A 35 2.610 14.874 -4.879 1.00 0.00 C ATOM 560 O TRP A 35 2.635 15.598 -5.874 1.00 0.00 O ATOM 561 CB TRP A 35 4.101 15.840 -3.048 1.00 0.00 C ATOM 562 CG TRP A 35 5.009 14.629 -2.827 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.464 14.140 -1.665 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.559 13.771 -3.848 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.263 13.032 -1.862 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.323 12.800 -3.231 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.417 13.811 -5.245 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.004 11.798 -3.933 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.103 12.802 -5.933 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.875 11.819 -5.327 1.00 0.00 C ATOM 0 H TRP A 35 2.746 13.999 -1.997 1.00 0.00 H new ATOM 0 HA TRP A 35 2.127 16.421 -3.474 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.546 16.481 -3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.057 16.421 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.234 14.560 -0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.725 12.484 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.825 14.561 -5.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.596 11.050 -3.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.026 12.787 -7.010 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.374 11.074 -5.929 1.00 0.00 H new ATOM 581 N CYS A 36 2.526 13.552 -4.915 1.00 0.00 N ATOM 582 CA CYS A 36 2.455 12.841 -6.179 1.00 0.00 C ATOM 583 C CYS A 36 1.044 13.010 -6.748 1.00 0.00 C ATOM 584 O CYS A 36 0.074 12.533 -6.161 1.00 0.00 O ATOM 585 CB CYS A 36 2.834 11.366 -6.021 1.00 0.00 C ATOM 586 SG CYS A 36 2.936 10.567 -7.665 1.00 0.00 S ATOM 0 H CYS A 36 2.506 12.955 -4.088 1.00 0.00 H new ATOM 0 HA CYS A 36 3.179 13.262 -6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.791 11.281 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.094 10.856 -5.405 1.00 0.00 H new ATOM 0 HG CYS A 36 2.439 9.368 -7.596 1.00 0.00 H new ATOM 592 N PRO A 37 0.973 13.708 -7.913 1.00 0.00 N ATOM 593 CA PRO A 37 -0.302 13.945 -8.566 1.00 0.00 C ATOM 594 C PRO A 37 -0.810 12.676 -9.255 1.00 0.00 C ATOM 595 O PRO A 37 -2.016 12.440 -9.317 1.00 0.00 O ATOM 596 CB PRO A 37 -0.041 15.084 -9.539 1.00 0.00 C ATOM 597 CG PRO A 37 1.468 15.130 -9.729 1.00 0.00 C ATOM 598 CD PRO A 37 2.102 14.285 -8.636 1.00 0.00 C ATOM 0 HA PRO A 37 -1.091 14.212 -7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.549 14.912 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.414 16.029 -9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.741 14.748 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.828 16.157 -9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.742 13.509 -9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.726 14.891 -7.979 1.00 0.00 H new ATOM 606 N LEU A 38 0.134 11.894 -9.755 1.00 0.00 N ATOM 607 CA LEU A 38 -0.203 10.656 -10.437 1.00 0.00 C ATOM 608 C LEU A 38 -0.834 9.684 -9.437 1.00 0.00 C ATOM 609 O LEU A 38 -1.730 8.919 -9.791 1.00 0.00 O ATOM 610 CB LEU A 38 1.024 10.089 -11.155 1.00 0.00 C ATOM 611 CG LEU A 38 0.766 9.455 -12.524 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.066 9.312 -13.316 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.035 8.119 -12.378 1.00 0.00 C ATOM 0 H LEU A 38 1.133 12.093 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.943 10.839 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.751 10.892 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.484 9.340 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 38 0.115 10.120 -13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.854 8.859 -14.284 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.511 10.296 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.761 8.679 -12.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.137 7.688 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.642 7.435 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.922 8.280 -11.881 1.00 0.00 H new ATOM 625 N CYS A 39 -0.339 9.746 -8.209 1.00 0.00 N ATOM 626 CA CYS A 39 -0.844 8.879 -7.156 1.00 0.00 C ATOM 627 C CYS A 39 -2.272 9.317 -6.817 1.00 0.00 C ATOM 628 O CYS A 39 -3.176 8.488 -6.739 1.00 0.00 O ATOM 629 CB CYS A 39 0.065 8.897 -5.926 1.00 0.00 C ATOM 630 SG CYS A 39 1.555 7.882 -6.236 1.00 0.00 S ATOM 0 H CYS A 39 0.405 10.381 -7.920 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.855 7.846 -7.504 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.355 9.922 -5.692 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.473 8.513 -5.060 1.00 0.00 H new ATOM 0 HG CYS A 39 2.495 8.226 -5.406 1.00 0.00 H new ATOM 636 N LEU A 40 -2.428 10.619 -6.625 1.00 0.00 N ATOM 637 CA LEU A 40 -3.728 11.175 -6.298 1.00 0.00 C ATOM 638 C LEU A 40 -4.761 10.682 -7.313 1.00 0.00 C ATOM 639 O LEU A 40 -5.840 10.230 -6.937 1.00 0.00 O ATOM 640 CB LEU A 40 -3.648 12.700 -6.192 1.00 0.00 C ATOM 641 CG LEU A 40 -2.923 13.250 -4.962 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.634 14.744 -5.119 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.707 12.949 -3.683 1.00 0.00 C ATOM 0 H LEU A 40 -1.675 11.304 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.054 10.827 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.149 13.081 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.662 13.099 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.962 12.743 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.118 15.110 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.005 14.903 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.572 15.285 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.170 13.351 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.692 13.411 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.818 11.871 -3.570 1.00 0.00 H new ATOM 655 N SER A 41 -4.392 10.789 -8.582 1.00 0.00 N ATOM 656 CA SER A 41 -5.273 10.360 -9.654 1.00 0.00 C ATOM 657 C SER A 41 -5.419 8.837 -9.634 1.00 0.00 C ATOM 658 O SER A 41 -6.419 8.299 -10.108 1.00 0.00 O ATOM 659 CB SER A 41 -4.751 10.825 -11.015 1.00 0.00 C ATOM 660 OG SER A 41 -4.009 9.805 -11.679 1.00 0.00 O ATOM 0 H SER A 41 -3.496 11.166 -8.891 1.00 0.00 H new ATOM 0 HA SER A 41 -6.251 10.814 -9.495 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.590 11.129 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.120 11.703 -10.880 1.00 0.00 H new ATOM 0 HG SER A 41 -3.276 9.505 -11.102 1.00 0.00 H new ATOM 666 N GLU A 42 -4.407 8.185 -9.082 1.00 0.00 N ATOM 667 CA GLU A 42 -4.411 6.734 -8.995 1.00 0.00 C ATOM 668 C GLU A 42 -5.220 6.279 -7.779 1.00 0.00 C ATOM 669 O GLU A 42 -5.760 5.173 -7.768 1.00 0.00 O ATOM 670 CB GLU A 42 -2.984 6.186 -8.939 1.00 0.00 C ATOM 671 CG GLU A 42 -2.502 5.767 -10.330 1.00 0.00 C ATOM 672 CD GLU A 42 -1.747 4.438 -10.271 1.00 0.00 C ATOM 673 OE1 GLU A 42 -1.269 4.043 -9.198 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.664 3.808 -11.394 1.00 0.00 O ATOM 0 H GLU A 42 -3.579 8.634 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.884 6.336 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.315 6.944 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.945 5.331 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.355 5.675 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.853 6.540 -10.742 1.00 0.00 H new ATOM 682 N LEU A 43 -5.281 7.152 -6.786 1.00 0.00 N ATOM 683 CA LEU A 43 -6.017 6.854 -5.570 1.00 0.00 C ATOM 684 C LEU A 43 -7.362 6.224 -5.933 1.00 0.00 C ATOM 685 O LEU A 43 -7.706 5.152 -5.437 1.00 0.00 O ATOM 686 CB LEU A 43 -6.139 8.104 -4.696 1.00 0.00 C ATOM 687 CG LEU A 43 -4.854 8.574 -4.013 1.00 0.00 C ATOM 688 CD1 LEU A 43 -5.115 9.799 -3.135 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.202 7.435 -3.227 1.00 0.00 C ATOM 0 H LEU A 43 -4.832 8.068 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.476 6.124 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.518 8.919 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.887 7.913 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.148 8.877 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.185 10.112 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.501 10.612 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.846 9.547 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.290 7.796 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.893 7.078 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.958 6.618 -3.906 1.00 0.00 H new ATOM 701 N GLY A 44 -8.089 6.917 -6.799 1.00 0.00 N ATOM 702 CA GLY A 44 -9.390 6.439 -7.236 1.00 0.00 C ATOM 703 C GLY A 44 -9.278 5.053 -7.874 1.00 0.00 C ATOM 704 O GLY A 44 -10.039 4.147 -7.538 1.00 0.00 O ATOM 0 H GLY A 44 -7.801 7.805 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.071 6.398 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.817 7.140 -7.953 1.00 0.00 H new ATOM 708 N GLN A 45 -8.323 4.931 -8.785 1.00 0.00 N ATOM 709 CA GLN A 45 -8.103 3.670 -9.474 1.00 0.00 C ATOM 710 C GLN A 45 -7.717 2.579 -8.473 1.00 0.00 C ATOM 711 O GLN A 45 -8.030 1.406 -8.676 1.00 0.00 O ATOM 712 CB GLN A 45 -7.036 3.819 -10.561 1.00 0.00 C ATOM 713 CG GLN A 45 -6.974 2.570 -11.442 1.00 0.00 C ATOM 714 CD GLN A 45 -5.677 2.535 -12.253 1.00 0.00 C ATOM 715 OE1 GLN A 45 -4.591 2.359 -11.728 1.00 0.00 O ATOM 716 NE2 GLN A 45 -5.852 2.714 -13.561 1.00 0.00 N ATOM 0 H GLN A 45 -7.693 5.684 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.033 3.377 -9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.257 4.692 -11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.064 3.992 -10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.042 1.678 -10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.830 2.554 -12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.790 2.856 -13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.048 2.709 -14.189 1.00 0.00 H new ATOM 725 N THR A 46 -7.045 3.003 -7.413 1.00 0.00 N ATOM 726 CA THR A 46 -6.614 2.076 -6.380 1.00 0.00 C ATOM 727 C THR A 46 -7.820 1.548 -5.601 1.00 0.00 C ATOM 728 O THR A 46 -7.831 0.395 -5.174 1.00 0.00 O ATOM 729 CB THR A 46 -5.588 2.793 -5.500 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.460 2.968 -6.354 1.00 0.00 O ATOM 731 CG2 THR A 46 -5.064 1.905 -4.369 1.00 0.00 C ATOM 0 H THR A 46 -6.788 3.976 -7.247 1.00 0.00 H new ATOM 0 HA THR A 46 -6.135 1.197 -6.811 1.00 0.00 H new ATOM 0 HB THR A 46 -6.037 3.692 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.629 3.711 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.339 2.462 -3.775 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.894 1.597 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.584 1.022 -4.792 1.00 0.00 H new ATOM 739 N GLU A 47 -8.806 2.418 -5.438 1.00 0.00 N ATOM 740 CA GLU A 47 -10.014 2.054 -4.717 1.00 0.00 C ATOM 741 C GLU A 47 -10.813 1.019 -5.510 1.00 0.00 C ATOM 742 O GLU A 47 -11.338 0.064 -4.940 1.00 0.00 O ATOM 743 CB GLU A 47 -10.865 3.289 -4.413 1.00 0.00 C ATOM 744 CG GLU A 47 -11.643 3.111 -3.109 1.00 0.00 C ATOM 745 CD GLU A 47 -13.096 3.560 -3.272 1.00 0.00 C ATOM 746 OE1 GLU A 47 -13.663 3.440 -4.368 1.00 0.00 O ATOM 747 OE2 GLU A 47 -13.640 4.047 -2.208 1.00 0.00 O ATOM 0 H GLU A 47 -8.793 3.374 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.725 1.610 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.224 4.168 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.560 3.467 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.614 2.065 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.167 3.688 -2.316 1.00 0.00 H new ATOM 755 N LYS A 48 -10.883 1.245 -6.814 1.00 0.00 N ATOM 756 CA LYS A 48 -11.610 0.343 -7.691 1.00 0.00 C ATOM 757 C LYS A 48 -10.868 -0.991 -7.775 1.00 0.00 C ATOM 758 O LYS A 48 -11.491 -2.048 -7.863 1.00 0.00 O ATOM 759 CB LYS A 48 -11.850 0.999 -9.054 1.00 0.00 C ATOM 760 CG LYS A 48 -12.585 0.047 -9.999 1.00 0.00 C ATOM 761 CD LYS A 48 -13.575 0.808 -10.882 1.00 0.00 C ATOM 762 CE LYS A 48 -14.024 -0.049 -12.069 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.493 0.502 -13.335 1.00 0.00 N ATOM 0 H LYS A 48 -10.448 2.039 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.599 0.132 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.433 1.911 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.896 1.290 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.864 -0.479 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.115 -0.709 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.443 1.101 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.112 1.725 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.677 -1.074 -11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.113 -0.084 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.807 -0.091 -14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.845 1.472 -13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.454 0.513 -13.300 1.00 0.00 H new ATOM 776 N TRP A 49 -9.546 -0.900 -7.742 1.00 0.00 N ATOM 777 CA TRP A 49 -8.712 -2.087 -7.810 1.00 0.00 C ATOM 778 C TRP A 49 -8.831 -2.828 -6.477 1.00 0.00 C ATOM 779 O TRP A 49 -8.747 -4.054 -6.434 1.00 0.00 O ATOM 780 CB TRP A 49 -7.269 -1.724 -8.165 1.00 0.00 C ATOM 781 CG TRP A 49 -7.074 -1.304 -9.624 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.012 -1.136 -10.567 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.819 -1.003 -10.272 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.456 -0.750 -11.770 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.080 -0.667 -11.585 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.507 -1.015 -9.765 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.080 -0.318 -12.500 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.520 -0.664 -10.691 1.00 0.00 C ATOM 789 CH2 TRP A 49 -3.766 -0.323 -12.017 1.00 0.00 C ATOM 0 H TRP A 49 -9.032 -0.022 -7.669 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.050 -2.749 -8.607 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.939 -0.912 -7.517 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.628 -2.580 -7.955 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.070 -1.284 -10.406 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.961 -0.560 -12.636 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.280 -1.275 -8.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.310 -0.059 -13.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.494 -0.657 -10.353 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.947 -0.063 -12.671 1.00 0.00 H new ATOM 800 N ALA A 50 -9.024 -2.052 -5.421 1.00 0.00 N ATOM 801 CA ALA A 50 -9.155 -2.618 -4.090 1.00 0.00 C ATOM 802 C ALA A 50 -10.553 -3.220 -3.932 1.00 0.00 C ATOM 803 O ALA A 50 -10.831 -3.906 -2.949 1.00 0.00 O ATOM 804 CB ALA A 50 -8.864 -1.539 -3.044 1.00 0.00 C ATOM 0 H ALA A 50 -9.093 -1.035 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.431 -3.419 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.963 -1.964 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.850 -1.164 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.572 -0.719 -3.160 1.00 0.00 H new ATOM 810 N GLN A 51 -11.396 -2.942 -4.915 1.00 0.00 N ATOM 811 CA GLN A 51 -12.759 -3.447 -4.897 1.00 0.00 C ATOM 812 C GLN A 51 -12.908 -4.603 -5.890 1.00 0.00 C ATOM 813 O GLN A 51 -13.891 -5.341 -5.845 1.00 0.00 O ATOM 814 CB GLN A 51 -13.762 -2.332 -5.199 1.00 0.00 C ATOM 815 CG GLN A 51 -14.063 -1.512 -3.943 1.00 0.00 C ATOM 816 CD GLN A 51 -15.511 -1.712 -3.490 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.457 -1.429 -4.207 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.631 -2.212 -2.265 1.00 0.00 N ATOM 0 H GLN A 51 -11.162 -2.374 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.974 -3.822 -3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.364 -1.680 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.685 -2.763 -5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.384 -1.805 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.883 -0.456 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.797 -2.427 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.557 -2.381 -1.872 1.00 0.00 H new ATOM 827 N ASP A 52 -11.920 -4.723 -6.763 1.00 0.00 N ATOM 828 CA ASP A 52 -11.930 -5.775 -7.764 1.00 0.00 C ATOM 829 C ASP A 52 -11.829 -7.135 -7.072 1.00 0.00 C ATOM 830 O ASP A 52 -10.943 -7.351 -6.245 1.00 0.00 O ATOM 831 CB ASP A 52 -10.738 -5.641 -8.715 1.00 0.00 C ATOM 832 CG ASP A 52 -10.515 -6.835 -9.645 1.00 0.00 C ATOM 833 OD1 ASP A 52 -11.267 -7.822 -9.610 1.00 0.00 O ATOM 834 OD2 ASP A 52 -9.507 -6.726 -10.442 1.00 0.00 O ATOM 0 H ASP A 52 -11.107 -4.109 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.857 -5.691 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.876 -4.747 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.836 -5.487 -8.123 1.00 0.00 H new ATOM 840 N ALA A 53 -12.751 -8.017 -7.431 1.00 0.00 N ATOM 841 CA ALA A 53 -12.777 -9.349 -6.853 1.00 0.00 C ATOM 842 C ALA A 53 -11.411 -10.010 -7.042 1.00 0.00 C ATOM 843 O ALA A 53 -10.852 -10.568 -6.100 1.00 0.00 O ATOM 844 CB ALA A 53 -13.909 -10.159 -7.489 1.00 0.00 C ATOM 0 H ALA A 53 -13.485 -7.834 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.973 -9.298 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.929 -11.159 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.861 -9.663 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.744 -10.233 -8.564 1.00 0.00 H new ATOM 850 N LYS A 54 -10.912 -9.925 -8.266 1.00 0.00 N ATOM 851 CA LYS A 54 -9.621 -10.507 -8.591 1.00 0.00 C ATOM 852 C LYS A 54 -8.593 -10.074 -7.546 1.00 0.00 C ATOM 853 O LYS A 54 -7.733 -10.860 -7.151 1.00 0.00 O ATOM 854 CB LYS A 54 -9.223 -10.160 -10.027 1.00 0.00 C ATOM 855 CG LYS A 54 -9.932 -11.074 -11.029 1.00 0.00 C ATOM 856 CD LYS A 54 -9.380 -12.499 -10.958 1.00 0.00 C ATOM 857 CE LYS A 54 -8.606 -12.852 -12.228 1.00 0.00 C ATOM 858 NZ LYS A 54 -7.501 -13.788 -11.920 1.00 0.00 N ATOM 0 H LYS A 54 -11.379 -9.461 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.674 -11.595 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.474 -9.120 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.143 -10.256 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.002 -11.084 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.805 -10.681 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.727 -12.597 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.200 -13.204 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.279 -13.303 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.206 -11.945 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.986 -14.017 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.850 -13.345 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.890 -14.661 -11.509 1.00 0.00 H new ATOM 871 N PHE A 55 -8.715 -8.822 -7.127 1.00 0.00 N ATOM 872 CA PHE A 55 -7.807 -8.274 -6.134 1.00 0.00 C ATOM 873 C PHE A 55 -8.155 -8.779 -4.733 1.00 0.00 C ATOM 874 O PHE A 55 -7.277 -8.920 -3.883 1.00 0.00 O ATOM 875 CB PHE A 55 -7.970 -6.753 -6.169 1.00 0.00 C ATOM 876 CG PHE A 55 -6.814 -6.020 -6.853 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.631 -5.857 -6.202 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.970 -5.529 -8.113 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.559 -5.176 -6.837 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.898 -4.849 -8.747 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.715 -4.686 -8.096 1.00 0.00 C ATOM 0 H PHE A 55 -9.429 -8.172 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.785 -8.580 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.898 -6.509 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.067 -6.384 -5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.507 -6.246 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.910 -5.657 -8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.620 -5.047 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.022 -4.461 -9.747 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.900 -4.168 -8.579 1.00 0.00 H new ATOM 891 N SER A 56 -9.439 -9.040 -4.535 1.00 0.00 N ATOM 892 CA SER A 56 -9.915 -9.527 -3.250 1.00 0.00 C ATOM 893 C SER A 56 -9.012 -10.656 -2.752 1.00 0.00 C ATOM 894 O SER A 56 -8.707 -10.734 -1.564 1.00 0.00 O ATOM 895 CB SER A 56 -11.365 -10.009 -3.348 1.00 0.00 C ATOM 896 OG SER A 56 -12.053 -9.881 -2.107 1.00 0.00 O ATOM 0 H SER A 56 -10.165 -8.924 -5.242 1.00 0.00 H new ATOM 0 HA SER A 56 -9.882 -8.703 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.887 -9.435 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.380 -11.052 -3.666 1.00 0.00 H new ATOM 0 HG SER A 56 -12.975 -10.197 -2.210 1.00 0.00 H new ATOM 902 N SER A 57 -8.609 -11.506 -3.687 1.00 0.00 N ATOM 903 CA SER A 57 -7.748 -12.628 -3.358 1.00 0.00 C ATOM 904 C SER A 57 -6.699 -12.198 -2.328 1.00 0.00 C ATOM 905 O SER A 57 -6.642 -12.747 -1.230 1.00 0.00 O ATOM 906 CB SER A 57 -7.066 -13.185 -4.608 1.00 0.00 C ATOM 907 OG SER A 57 -8.008 -13.701 -5.545 1.00 0.00 O ATOM 0 H SER A 57 -8.864 -11.439 -4.672 1.00 0.00 H new ATOM 0 HA SER A 57 -8.365 -13.419 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.478 -12.399 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.371 -13.974 -4.321 1.00 0.00 H new ATOM 0 HG SER A 57 -7.533 -14.046 -6.330 1.00 0.00 H new ATOM 913 N ALA A 58 -5.897 -11.220 -2.721 1.00 0.00 N ATOM 914 CA ALA A 58 -4.855 -10.709 -1.848 1.00 0.00 C ATOM 915 C ALA A 58 -5.303 -9.375 -1.251 1.00 0.00 C ATOM 916 O ALA A 58 -6.263 -8.769 -1.726 1.00 0.00 O ATOM 917 CB ALA A 58 -3.545 -10.589 -2.630 1.00 0.00 C ATOM 0 H ALA A 58 -5.948 -10.767 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.678 -11.396 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.764 -10.205 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.254 -11.570 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.683 -9.906 -3.468 1.00 0.00 H new ATOM 923 N ASN A 59 -4.586 -8.953 -0.220 1.00 0.00 N ATOM 924 CA ASN A 59 -4.898 -7.699 0.446 1.00 0.00 C ATOM 925 C ASN A 59 -4.138 -6.561 -0.238 1.00 0.00 C ATOM 926 O ASN A 59 -2.933 -6.660 -0.462 1.00 0.00 O ATOM 927 CB ASN A 59 -4.474 -7.735 1.915 1.00 0.00 C ATOM 928 CG ASN A 59 -5.083 -8.942 2.633 1.00 0.00 C ATOM 929 OD1 ASN A 59 -6.239 -9.283 2.455 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.241 -9.566 3.452 1.00 0.00 N ATOM 0 H ASN A 59 -3.790 -9.457 0.171 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.975 -7.544 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.387 -7.778 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.788 -6.816 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.552 -10.383 3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.284 -9.227 3.555 1.00 0.00 H new ATOM 937 N LEU A 60 -4.874 -5.505 -0.550 1.00 0.00 N ATOM 938 CA LEU A 60 -4.286 -4.349 -1.204 1.00 0.00 C ATOM 939 C LEU A 60 -4.468 -3.117 -0.315 1.00 0.00 C ATOM 940 O LEU A 60 -5.585 -2.800 0.090 1.00 0.00 O ATOM 941 CB LEU A 60 -4.858 -4.180 -2.613 1.00 0.00 C ATOM 942 CG LEU A 60 -4.265 -3.042 -3.446 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.859 -3.027 -4.856 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.438 -1.697 -2.739 1.00 0.00 C ATOM 0 H LEU A 60 -5.873 -5.426 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.214 -4.492 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.715 -5.114 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.933 -4.021 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.194 -3.217 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.420 -2.209 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.642 -3.973 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.938 -2.889 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.008 -0.905 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.499 -1.501 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.931 -1.725 -1.775 1.00 0.00 H new ATOM 956 N ILE A 61 -3.354 -2.457 -0.038 1.00 0.00 N ATOM 957 CA ILE A 61 -3.375 -1.267 0.796 1.00 0.00 C ATOM 958 C ILE A 61 -2.200 -0.363 0.421 1.00 0.00 C ATOM 959 O ILE A 61 -1.229 -0.820 -0.182 1.00 0.00 O ATOM 960 CB ILE A 61 -3.409 -1.651 2.277 1.00 0.00 C ATOM 961 CG1 ILE A 61 -2.111 -2.346 2.692 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.640 -2.501 2.595 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.844 -2.162 4.188 1.00 0.00 C ATOM 0 H ILE A 61 -2.430 -2.724 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.285 -0.694 0.618 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.488 -0.737 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.173 -3.409 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.278 -1.941 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.640 -2.760 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.542 -1.937 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.616 -3.413 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.915 -2.666 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.759 -1.099 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.667 -2.590 4.760 1.00 0.00 H new ATOM 975 N THR A 62 -2.324 0.902 0.794 1.00 0.00 N ATOM 976 CA THR A 62 -1.284 1.872 0.503 1.00 0.00 C ATOM 977 C THR A 62 -0.563 2.283 1.790 1.00 0.00 C ATOM 978 O THR A 62 -1.139 2.218 2.876 1.00 0.00 O ATOM 979 CB THR A 62 -1.927 3.049 -0.234 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.722 3.689 0.760 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.939 2.596 -1.288 1.00 0.00 C ATOM 0 H THR A 62 -3.129 1.277 1.295 1.00 0.00 H new ATOM 0 HA THR A 62 -0.516 1.446 -0.142 1.00 0.00 H new ATOM 0 HB THR A 62 -1.150 3.647 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.671 3.548 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.366 3.469 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.439 1.970 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.734 2.026 -0.808 1.00 0.00 H new ATOM 989 N VAL A 63 0.685 2.695 1.625 1.00 0.00 N ATOM 990 CA VAL A 63 1.490 3.115 2.760 1.00 0.00 C ATOM 991 C VAL A 63 2.023 4.527 2.507 1.00 0.00 C ATOM 992 O VAL A 63 2.336 4.882 1.371 1.00 0.00 O ATOM 993 CB VAL A 63 2.601 2.095 3.020 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.960 2.785 3.149 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.293 1.251 4.259 1.00 0.00 C ATOM 0 H VAL A 63 1.159 2.747 0.723 1.00 0.00 H new ATOM 0 HA VAL A 63 0.883 3.153 3.665 1.00 0.00 H new ATOM 0 HB VAL A 63 2.647 1.424 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.732 2.037 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.186 3.319 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.932 3.490 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.098 0.535 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.205 1.901 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.355 0.715 4.110 1.00 0.00 H new ATOM 1005 N ALA A 64 2.109 5.293 3.584 1.00 0.00 N ATOM 1006 CA ALA A 64 2.597 6.658 3.493 1.00 0.00 C ATOM 1007 C ALA A 64 3.601 6.913 4.620 1.00 0.00 C ATOM 1008 O ALA A 64 3.384 6.492 5.756 1.00 0.00 O ATOM 1009 CB ALA A 64 1.415 7.628 3.535 1.00 0.00 C ATOM 0 H ALA A 64 1.849 4.994 4.524 1.00 0.00 H new ATOM 0 HA ALA A 64 3.115 6.817 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.782 8.652 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.748 7.425 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.872 7.499 4.471 1.00 0.00 H new ATOM 1015 N SER A 65 4.677 7.601 4.268 1.00 0.00 N ATOM 1016 CA SER A 65 5.715 7.915 5.235 1.00 0.00 C ATOM 1017 C SER A 65 5.722 9.417 5.525 1.00 0.00 C ATOM 1018 O SER A 65 6.135 10.213 4.681 1.00 0.00 O ATOM 1019 CB SER A 65 7.088 7.463 4.737 1.00 0.00 C ATOM 1020 OG SER A 65 7.028 6.202 4.076 1.00 0.00 O ATOM 0 H SER A 65 4.853 7.950 3.326 1.00 0.00 H new ATOM 0 HA SER A 65 5.499 7.375 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.490 8.211 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.776 7.398 5.580 1.00 0.00 H new ATOM 0 HG SER A 65 7.818 6.094 3.506 1.00 0.00 H new ATOM 1026 N PRO A 66 5.247 9.769 6.748 1.00 0.00 N ATOM 1027 CA PRO A 66 5.195 11.162 7.158 1.00 0.00 C ATOM 1028 C PRO A 66 6.591 11.683 7.511 1.00 0.00 C ATOM 1029 O PRO A 66 7.345 11.017 8.219 1.00 0.00 O ATOM 1030 CB PRO A 66 4.237 11.191 8.336 1.00 0.00 C ATOM 1031 CG PRO A 66 4.147 9.758 8.835 1.00 0.00 C ATOM 1032 CD PRO A 66 4.749 8.855 7.771 1.00 0.00 C ATOM 0 HA PRO A 66 4.847 11.821 6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.601 11.855 9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.257 11.562 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.683 9.648 9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.109 9.485 9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.553 8.242 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.004 8.172 7.363 1.00 0.00 H new ATOM 1040 N GLY A 67 6.893 12.867 6.999 1.00 0.00 N ATOM 1041 CA GLY A 67 8.184 13.484 7.252 1.00 0.00 C ATOM 1042 C GLY A 67 9.304 12.721 6.540 1.00 0.00 C ATOM 1043 O GLY A 67 10.481 13.029 6.722 1.00 0.00 O ATOM 0 H GLY A 67 6.266 13.415 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.170 14.519 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.378 13.505 8.324 1.00 0.00 H new ATOM 1047 N PHE A 68 8.898 11.742 5.746 1.00 0.00 N ATOM 1048 CA PHE A 68 9.853 10.933 5.007 1.00 0.00 C ATOM 1049 C PHE A 68 9.497 10.887 3.521 1.00 0.00 C ATOM 1050 O PHE A 68 8.335 10.699 3.162 1.00 0.00 O ATOM 1051 CB PHE A 68 9.778 9.517 5.582 1.00 0.00 C ATOM 1052 CG PHE A 68 10.796 8.547 4.978 1.00 0.00 C ATOM 1053 CD1 PHE A 68 12.063 8.500 5.469 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.432 7.732 3.952 1.00 0.00 C ATOM 1055 CE1 PHE A 68 13.007 7.599 4.910 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.376 6.831 3.392 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.644 6.784 3.883 1.00 0.00 C ATOM 0 H PHE A 68 7.921 11.490 5.598 1.00 0.00 H new ATOM 0 HA PHE A 68 10.853 11.358 5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.932 9.565 6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.775 9.123 5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.351 9.148 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.425 7.770 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.013 7.561 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.088 6.184 2.577 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.363 6.099 3.457 1.00 0.00 H new ATOM 1067 N LEU A 69 10.517 11.062 2.693 1.00 0.00 N ATOM 1068 CA LEU A 69 10.328 11.043 1.254 1.00 0.00 C ATOM 1069 C LEU A 69 9.665 12.350 0.814 1.00 0.00 C ATOM 1070 O LEU A 69 8.994 12.395 -0.215 1.00 0.00 O ATOM 1071 CB LEU A 69 9.556 9.791 0.832 1.00 0.00 C ATOM 1072 CG LEU A 69 10.266 8.867 -0.157 1.00 0.00 C ATOM 1073 CD1 LEU A 69 10.665 9.623 -1.427 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.465 8.178 0.498 1.00 0.00 C ATOM 0 H LEU A 69 11.479 11.218 2.994 1.00 0.00 H new ATOM 0 HA LEU A 69 11.290 10.985 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.317 9.217 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.609 10.104 0.391 1.00 0.00 H new ATOM 0 HG LEU A 69 9.567 8.085 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.168 8.942 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.773 10.027 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.339 10.440 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.952 7.527 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.174 8.931 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.125 7.585 1.347 1.00 0.00 H new ATOM 1086 N HIS A 70 9.878 13.384 1.616 1.00 0.00 N ATOM 1087 CA HIS A 70 9.311 14.689 1.321 1.00 0.00 C ATOM 1088 C HIS A 70 7.785 14.603 1.354 1.00 0.00 C ATOM 1089 O HIS A 70 7.100 15.432 0.755 1.00 0.00 O ATOM 1090 CB HIS A 70 9.848 15.227 -0.005 1.00 0.00 C ATOM 1091 CG HIS A 70 11.244 15.796 0.080 1.00 0.00 C ATOM 1092 ND1 HIS A 70 11.834 16.498 -0.957 1.00 0.00 N ATOM 1093 CD2 HIS A 70 12.160 15.760 1.091 1.00 0.00 C ATOM 1094 CE1 HIS A 70 13.049 16.862 -0.577 1.00 0.00 C ATOM 1095 NE2 HIS A 70 13.250 16.404 0.692 1.00 0.00 N ATOM 0 H HIS A 70 10.435 13.344 2.469 1.00 0.00 H new ATOM 0 HA HIS A 70 9.616 15.404 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.839 14.423 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.173 16.001 -0.370 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.022 15.288 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.757 17.423 -1.168 1.00 0.00 H new ATOM 0 HE2 HIS A 70 14.098 16.535 1.243 1.00 0.00 H new ATOM 1104 N GLU A 71 7.295 13.595 2.059 1.00 0.00 N ATOM 1105 CA GLU A 71 5.861 13.391 2.177 1.00 0.00 C ATOM 1106 C GLU A 71 5.303 14.208 3.343 1.00 0.00 C ATOM 1107 O GLU A 71 6.000 14.446 4.329 1.00 0.00 O ATOM 1108 CB GLU A 71 5.531 11.906 2.340 1.00 0.00 C ATOM 1109 CG GLU A 71 4.528 11.447 1.280 1.00 0.00 C ATOM 1110 CD GLU A 71 3.412 12.479 1.097 1.00 0.00 C ATOM 1111 OE1 GLU A 71 2.422 12.458 1.845 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.600 13.323 0.140 1.00 0.00 O ATOM 0 H GLU A 71 7.865 12.910 2.555 1.00 0.00 H new ATOM 0 HA GLU A 71 5.387 13.736 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.444 11.316 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.122 11.728 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.042 11.290 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.098 10.489 1.572 1.00 0.00 H new ATOM 1120 N LYS A 72 4.051 14.616 3.193 1.00 0.00 N ATOM 1121 CA LYS A 72 3.392 15.402 4.221 1.00 0.00 C ATOM 1122 C LYS A 72 3.782 14.862 5.599 1.00 0.00 C ATOM 1123 O LYS A 72 4.121 13.688 5.737 1.00 0.00 O ATOM 1124 CB LYS A 72 1.881 15.439 3.982 1.00 0.00 C ATOM 1125 CG LYS A 72 1.493 16.638 3.114 1.00 0.00 C ATOM 1126 CD LYS A 72 1.341 17.902 3.962 1.00 0.00 C ATOM 1127 CE LYS A 72 2.352 18.969 3.542 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.626 19.894 4.665 1.00 0.00 N ATOM 0 H LYS A 72 3.476 14.417 2.374 1.00 0.00 H new ATOM 0 HA LYS A 72 3.724 16.439 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.563 14.516 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.359 15.493 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.252 16.798 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.557 16.429 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.329 18.294 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.482 17.657 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.279 18.494 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.967 19.527 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.315 20.612 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.743 20.361 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.014 19.359 5.468 1.00 0.00 H new ATOM 1141 N LYS A 73 3.721 15.746 6.585 1.00 0.00 N ATOM 1142 CA LYS A 73 4.064 15.372 7.946 1.00 0.00 C ATOM 1143 C LYS A 73 2.853 14.713 8.610 1.00 0.00 C ATOM 1144 O LYS A 73 1.712 14.992 8.245 1.00 0.00 O ATOM 1145 CB LYS A 73 4.604 16.581 8.713 1.00 0.00 C ATOM 1146 CG LYS A 73 5.800 16.191 9.584 1.00 0.00 C ATOM 1147 CD LYS A 73 5.559 16.565 11.046 1.00 0.00 C ATOM 1148 CE LYS A 73 6.703 16.068 11.934 1.00 0.00 C ATOM 1149 NZ LYS A 73 6.469 16.453 13.345 1.00 0.00 N ATOM 0 H LYS A 73 3.439 16.719 6.468 1.00 0.00 H new ATOM 0 HA LYS A 73 4.868 14.636 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.901 17.359 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.816 17.000 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.978 15.119 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.698 16.691 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.466 17.647 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.617 16.134 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.787 14.984 11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.648 16.487 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.254 16.108 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.411 17.489 13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.577 16.033 13.676 1.00 0.00 H new ATOM 1162 N ASP A 74 3.144 13.850 9.574 1.00 0.00 N ATOM 1163 CA ASP A 74 2.093 13.150 10.292 1.00 0.00 C ATOM 1164 C ASP A 74 1.031 14.155 10.743 1.00 0.00 C ATOM 1165 O ASP A 74 1.331 15.329 10.952 1.00 0.00 O ATOM 1166 CB ASP A 74 2.647 12.457 11.540 1.00 0.00 C ATOM 1167 CG ASP A 74 1.619 12.190 12.640 1.00 0.00 C ATOM 1168 OD1 ASP A 74 1.213 13.106 13.370 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.229 10.965 12.736 1.00 0.00 O ATOM 0 H ASP A 74 4.092 13.621 9.874 1.00 0.00 H new ATOM 0 HA ASP A 74 1.667 12.403 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.093 11.508 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.448 13.071 11.953 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.190 13.656 10.876 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.299 14.495 11.297 1.00 0.00 C ATOM 1177 C GLY A 75 -1.836 15.322 10.126 1.00 0.00 C ATOM 1178 O GLY A 75 -3.036 15.316 9.857 1.00 0.00 O ATOM 0 H GLY A 75 -0.435 12.682 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.096 13.873 11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.974 15.160 12.097 1.00 0.00 H new ATOM 1182 N ASP A 76 -0.922 16.012 9.461 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.288 16.841 8.326 1.00 0.00 C ATOM 1184 C ASP A 76 -1.661 15.944 7.144 1.00 0.00 C ATOM 1185 O ASP A 76 -2.474 16.325 6.304 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.121 17.732 7.893 1.00 0.00 C ATOM 1187 CG ASP A 76 0.167 18.913 8.820 1.00 0.00 C ATOM 1188 OD1 ASP A 76 0.793 18.756 9.880 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -0.284 20.050 8.411 1.00 0.00 O ATOM 0 H ASP A 76 0.073 16.014 9.687 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.128 17.468 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.777 17.119 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.327 18.115 6.894 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.049 14.769 7.118 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.306 13.815 6.052 1.00 0.00 C ATOM 1197 C PHE A 77 -2.638 13.094 6.272 1.00 0.00 C ATOM 1198 O PHE A 77 -3.518 13.132 5.413 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.174 12.788 6.088 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.419 11.559 5.210 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.175 10.530 5.676 1.00 0.00 C ATOM 1202 CD2 PHE A 77 0.120 11.497 3.962 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.402 9.390 4.862 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.109 10.357 3.147 1.00 0.00 C ATOM 1205 CZ PHE A 77 -0.864 9.327 3.614 1.00 0.00 C ATOM 0 H PHE A 77 -0.376 14.456 7.818 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.356 14.332 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.750 13.270 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.026 12.462 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.603 10.580 6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.721 12.314 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.002 8.572 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.317 10.308 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.036 8.459 2.994 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.745 12.455 7.428 1.00 0.00 N ATOM 1216 CA GLN A 78 -3.954 11.727 7.771 1.00 0.00 C ATOM 1217 C GLN A 78 -5.183 12.617 7.575 1.00 0.00 C ATOM 1218 O GLN A 78 -6.276 12.121 7.307 1.00 0.00 O ATOM 1219 CB GLN A 78 -3.886 11.195 9.203 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.611 12.326 10.197 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.250 11.769 11.575 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.096 11.525 11.892 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.296 11.581 12.374 1.00 0.00 N ATOM 0 H GLN A 78 -2.014 12.427 8.139 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.040 10.870 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.825 10.704 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.102 10.442 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.796 12.949 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.490 12.965 10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.235 11.806 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.159 11.212 13.315 1.00 0.00 H new ATOM 1232 N LYS A 79 -4.962 13.915 7.719 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.038 14.879 7.563 1.00 0.00 C ATOM 1234 C LYS A 79 -6.365 15.036 6.075 1.00 0.00 C ATOM 1235 O LYS A 79 -7.530 15.147 5.700 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.683 16.197 8.256 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.437 16.339 9.580 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.983 17.758 9.750 1.00 0.00 C ATOM 1239 CE LYS A 79 -5.858 18.744 10.071 1.00 0.00 C ATOM 1240 NZ LYS A 79 -6.408 20.097 10.308 1.00 0.00 N ATOM 0 H LYS A 79 -4.054 14.322 7.942 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.943 14.521 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.609 16.239 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.928 17.034 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.258 15.623 9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.771 16.100 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.493 18.067 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.724 17.773 10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.312 18.407 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.146 18.774 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.632 20.754 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.909 20.422 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.070 20.067 11.110 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.312 15.038 5.269 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.471 15.179 3.831 1.00 0.00 C ATOM 1255 C TRP A 80 -6.456 14.107 3.358 1.00 0.00 C ATOM 1256 O TRP A 80 -7.418 14.410 2.655 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.119 15.105 3.120 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.184 15.422 1.625 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.107 15.025 0.738 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.248 16.223 0.873 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.835 15.510 -0.526 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.668 16.261 -0.440 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.084 16.893 1.291 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -2.983 16.956 -1.444 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.411 17.582 0.276 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -1.821 17.632 -1.052 1.00 0.00 C ATOM 0 H TRP A 80 -4.347 14.944 5.584 1.00 0.00 H new ATOM 0 HA TRP A 80 -5.877 16.159 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.430 15.801 3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.705 14.105 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -5.956 14.404 0.981 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.388 15.347 -1.367 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.737 16.877 2.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.332 16.970 -2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.509 18.113 0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.246 18.189 -1.777 1.00 0.00 H new ATOM 1277 N TYR A 81 -6.180 12.876 3.762 1.00 0.00 N ATOM 1278 CA TYR A 81 -7.027 11.757 3.387 1.00 0.00 C ATOM 1279 C TYR A 81 -8.444 11.935 3.937 1.00 0.00 C ATOM 1280 O TYR A 81 -9.415 11.515 3.310 1.00 0.00 O ATOM 1281 CB TYR A 81 -6.397 10.517 4.026 1.00 0.00 C ATOM 1282 CG TYR A 81 -7.383 9.373 4.268 1.00 0.00 C ATOM 1283 CD1 TYR A 81 -8.265 9.435 5.329 1.00 0.00 C ATOM 1284 CD2 TYR A 81 -7.391 8.279 3.427 1.00 0.00 C ATOM 1285 CE1 TYR A 81 -9.194 8.357 5.557 1.00 0.00 C ATOM 1286 CE2 TYR A 81 -8.319 7.202 3.656 1.00 0.00 C ATOM 1287 CZ TYR A 81 -9.174 7.294 4.709 1.00 0.00 C ATOM 1288 OH TYR A 81 -10.050 6.277 4.925 1.00 0.00 O ATOM 0 H TYR A 81 -5.381 12.629 4.346 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.099 11.677 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.592 10.159 3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.945 10.801 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.259 10.291 5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.701 8.231 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.890 8.393 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.335 6.340 3.006 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.284 6.243 5.876 1.00 0.00 H new ATOM 1298 N ALA A 82 -8.517 12.559 5.104 1.00 0.00 N ATOM 1299 CA ALA A 82 -9.800 12.797 5.746 1.00 0.00 C ATOM 1300 C ALA A 82 -10.605 13.794 4.910 1.00 0.00 C ATOM 1301 O ALA A 82 -11.813 13.931 5.096 1.00 0.00 O ATOM 1302 CB ALA A 82 -9.570 13.288 7.177 1.00 0.00 C ATOM 0 H ALA A 82 -7.710 12.907 5.621 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.378 11.875 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.531 13.467 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.018 12.533 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.997 14.215 7.156 1.00 0.00 H new ATOM 1308 N GLY A 83 -9.904 14.464 4.007 1.00 0.00 N ATOM 1309 CA GLY A 83 -10.539 15.442 3.142 1.00 0.00 C ATOM 1310 C GLY A 83 -10.646 14.921 1.708 1.00 0.00 C ATOM 1311 O GLY A 83 -10.881 15.691 0.779 1.00 0.00 O ATOM 0 H GLY A 83 -8.902 14.348 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.533 15.677 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.966 16.369 3.154 1.00 0.00 H new ATOM 1315 N LEU A 84 -10.469 13.614 1.573 1.00 0.00 N ATOM 1316 CA LEU A 84 -10.542 12.980 0.268 1.00 0.00 C ATOM 1317 C LEU A 84 -11.743 12.033 0.234 1.00 0.00 C ATOM 1318 O LEU A 84 -12.301 11.694 1.276 1.00 0.00 O ATOM 1319 CB LEU A 84 -9.214 12.303 -0.073 1.00 0.00 C ATOM 1320 CG LEU A 84 -8.052 13.238 -0.413 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -6.757 12.451 -0.624 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -8.390 14.118 -1.620 1.00 0.00 C ATOM 0 H LEU A 84 -10.275 12.978 2.346 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.701 13.726 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.919 11.681 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.376 11.635 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.890 13.903 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.947 13.140 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.510 11.905 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.889 11.746 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.547 14.773 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.595 13.487 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.269 14.722 -1.395 1.00 0.00 H new ATOM 1334 N ASN A 85 -12.106 11.631 -0.976 1.00 0.00 N ATOM 1335 CA ASN A 85 -13.230 10.729 -1.159 1.00 0.00 C ATOM 1336 C ASN A 85 -12.743 9.284 -1.039 1.00 0.00 C ATOM 1337 O ASN A 85 -11.646 9.034 -0.541 1.00 0.00 O ATOM 1338 CB ASN A 85 -13.854 10.903 -2.546 1.00 0.00 C ATOM 1339 CG ASN A 85 -15.370 10.706 -2.491 1.00 0.00 C ATOM 1340 OD1 ASN A 85 -16.026 10.991 -1.502 1.00 0.00 O ATOM 1341 ND2 ASN A 85 -15.891 10.202 -3.608 1.00 0.00 N ATOM 0 H ASN A 85 -11.641 11.914 -1.839 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.974 10.957 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.626 11.898 -2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.415 10.186 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.895 10.033 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.286 9.985 -4.400 1.00 0.00 H new ATOM 1348 N TYR A 86 -13.582 8.370 -1.503 1.00 0.00 N ATOM 1349 CA TYR A 86 -13.251 6.956 -1.453 1.00 0.00 C ATOM 1350 C TYR A 86 -12.951 6.513 -0.020 1.00 0.00 C ATOM 1351 O TYR A 86 -11.788 6.392 0.365 1.00 0.00 O ATOM 1352 CB TYR A 86 -11.989 6.787 -2.302 1.00 0.00 C ATOM 1353 CG TYR A 86 -11.966 7.657 -3.560 1.00 0.00 C ATOM 1354 CD1 TYR A 86 -13.128 7.866 -4.276 1.00 0.00 C ATOM 1355 CD2 TYR A 86 -10.784 8.233 -3.980 1.00 0.00 C ATOM 1356 CE1 TYR A 86 -13.105 8.685 -5.462 1.00 0.00 C ATOM 1357 CE2 TYR A 86 -10.762 9.050 -5.164 1.00 0.00 C ATOM 1358 CZ TYR A 86 -11.923 9.237 -5.847 1.00 0.00 C ATOM 1359 OH TYR A 86 -11.903 10.010 -6.966 1.00 0.00 O ATOM 0 H TYR A 86 -14.491 8.581 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 86 -14.083 6.354 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.118 7.025 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.897 5.741 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -14.053 7.416 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.875 8.070 -3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.006 8.856 -6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.843 9.505 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.993 10.339 -7.120 1.00 0.00 H new ATOM 1369 N PRO A 87 -14.045 6.278 0.752 1.00 0.00 N ATOM 1370 CA PRO A 87 -13.910 5.853 2.134 1.00 0.00 C ATOM 1371 C PRO A 87 -13.494 4.383 2.216 1.00 0.00 C ATOM 1372 O PRO A 87 -13.270 3.857 3.306 1.00 0.00 O ATOM 1373 CB PRO A 87 -15.266 6.124 2.765 1.00 0.00 C ATOM 1374 CG PRO A 87 -16.244 6.254 1.607 1.00 0.00 C ATOM 1375 CD PRO A 87 -15.436 6.413 0.331 1.00 0.00 C ATOM 0 HA PRO A 87 -13.125 6.392 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -15.556 5.312 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -15.244 7.035 3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.883 5.373 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -16.898 7.113 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.703 5.653 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.617 7.382 -0.133 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.403 3.760 1.050 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.020 2.361 0.976 1.00 0.00 C ATOM 1385 C LYS A 88 -11.578 2.258 0.475 1.00 0.00 C ATOM 1386 O LYS A 88 -11.133 1.185 0.072 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.022 1.574 0.131 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.215 1.119 0.974 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.625 -0.311 0.617 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.040 -1.313 1.615 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.041 -2.349 1.956 1.00 0.00 N ATOM 0 H LYS A 88 -13.588 4.199 0.148 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.048 1.906 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.371 2.193 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.530 0.706 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.959 1.174 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.056 1.793 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.712 -0.391 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.282 -0.551 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.152 -1.782 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.724 -0.793 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.628 -3.021 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.876 -1.898 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.323 -2.857 1.093 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.888 3.389 0.520 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.506 3.439 0.076 1.00 0.00 C ATOM 1406 C LEU A 89 -8.582 3.164 1.264 1.00 0.00 C ATOM 1407 O LEU A 89 -8.608 3.891 2.255 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.218 4.765 -0.632 1.00 0.00 C ATOM 1409 CG LEU A 89 -8.636 4.660 -2.043 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -8.780 5.984 -2.797 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.184 4.179 -2.002 1.00 0.00 C ATOM 0 H LEU A 89 -11.261 4.277 0.857 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.316 2.661 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.146 5.335 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.526 5.340 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.208 3.913 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.358 5.881 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.835 6.246 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.249 6.769 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.794 4.113 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.583 4.884 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.139 3.197 -1.531 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.767 2.085 1.122 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.837 1.705 2.171 1.00 0.00 C ATOM 1425 C PRO A 90 -5.636 2.651 2.208 1.00 0.00 C ATOM 1426 O PRO A 90 -4.979 2.866 1.190 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.454 0.269 1.856 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.815 0.051 0.396 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.710 1.201 -0.038 1.00 0.00 C ATOM 0 HA PRO A 90 -7.274 1.777 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.390 0.103 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.991 -0.428 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.916 0.014 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.328 -0.902 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.300 1.715 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.703 0.847 -0.315 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.384 3.190 3.392 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.273 4.109 3.575 1.00 0.00 C ATOM 1439 C VAL A 91 -3.598 3.825 4.918 1.00 0.00 C ATOM 1440 O VAL A 91 -4.253 3.827 5.960 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.759 5.553 3.443 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.709 6.535 3.968 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.137 5.875 1.996 1.00 0.00 C ATOM 0 H VAL A 91 -5.930 3.008 4.234 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.524 3.961 2.797 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.655 5.662 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.080 7.555 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.511 6.328 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.788 6.423 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.479 6.908 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.267 5.740 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.935 5.207 1.671 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.296 3.587 4.851 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.525 3.302 6.051 1.00 0.00 C ATOM 1455 C VAL A 92 -0.381 4.310 6.168 1.00 0.00 C ATOM 1456 O VAL A 92 0.305 4.592 5.187 1.00 0.00 O ATOM 1457 CB VAL A 92 -1.043 1.850 6.029 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.360 1.481 7.348 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -2.196 0.893 5.722 1.00 0.00 C ATOM 0 H VAL A 92 -1.756 3.586 3.986 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.146 3.411 6.940 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.307 1.753 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.026 0.444 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.499 2.133 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.066 1.603 8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.825 -0.132 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.966 0.993 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.620 1.135 4.747 1.00 0.00 H new ATOM 1469 N THR A 93 -0.210 4.826 7.375 1.00 0.00 N ATOM 1470 CA THR A 93 0.839 5.797 7.635 1.00 0.00 C ATOM 1471 C THR A 93 1.901 5.202 8.561 1.00 0.00 C ATOM 1472 O THR A 93 1.606 4.852 9.703 1.00 0.00 O ATOM 1473 CB THR A 93 0.184 7.062 8.195 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.857 6.572 9.034 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.550 7.865 7.118 1.00 0.00 C ATOM 0 H THR A 93 -0.782 4.590 8.186 1.00 0.00 H new ATOM 0 HA THR A 93 1.366 6.064 6.719 1.00 0.00 H new ATOM 0 HB THR A 93 0.944 7.689 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.333 7.327 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.997 8.752 7.567 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.156 8.166 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.333 7.249 6.675 1.00 0.00 H new ATOM 1483 N ASP A 94 3.112 5.105 8.035 1.00 0.00 N ATOM 1484 CA ASP A 94 4.219 4.558 8.801 1.00 0.00 C ATOM 1485 C ASP A 94 5.263 5.651 9.032 1.00 0.00 C ATOM 1486 O ASP A 94 5.923 6.094 8.092 1.00 0.00 O ATOM 1487 CB ASP A 94 4.895 3.410 8.049 1.00 0.00 C ATOM 1488 CG ASP A 94 5.991 2.681 8.830 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.474 3.172 9.861 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.353 1.548 8.333 1.00 0.00 O ATOM 0 H ASP A 94 3.352 5.396 7.087 1.00 0.00 H new ATOM 0 HA ASP A 94 3.824 4.187 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.133 2.686 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.326 3.803 7.128 1.00 0.00 H new ATOM 1496 N ASN A 95 5.383 6.056 10.289 1.00 0.00 N ATOM 1497 CA ASN A 95 6.337 7.089 10.654 1.00 0.00 C ATOM 1498 C ASN A 95 7.746 6.637 10.266 1.00 0.00 C ATOM 1499 O ASN A 95 8.236 5.624 10.763 1.00 0.00 O ATOM 1500 CB ASN A 95 6.321 7.345 12.162 1.00 0.00 C ATOM 1501 CG ASN A 95 7.445 8.298 12.570 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.613 7.942 12.603 1.00 0.00 O ATOM 1503 ND2 ASN A 95 7.031 9.524 12.877 1.00 0.00 N ATOM 0 H ASN A 95 4.835 5.687 11.066 1.00 0.00 H new ATOM 0 HA ASN A 95 6.060 8.004 10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.359 7.767 12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.429 6.401 12.696 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.706 10.234 13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.039 9.754 12.828 1.00 0.00 H new ATOM 1510 N GLY A 96 8.359 7.411 9.383 1.00 0.00 N ATOM 1511 CA GLY A 96 9.702 7.102 8.922 1.00 0.00 C ATOM 1512 C GLY A 96 9.668 6.139 7.735 1.00 0.00 C ATOM 1513 O GLY A 96 10.656 5.996 7.017 1.00 0.00 O ATOM 0 H GLY A 96 7.951 8.252 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.212 8.021 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.277 6.661 9.736 1.00 0.00 H new ATOM 1517 N GLY A 97 8.518 5.503 7.562 1.00 0.00 N ATOM 1518 CA GLY A 97 8.341 4.558 6.474 1.00 0.00 C ATOM 1519 C GLY A 97 9.218 3.320 6.675 1.00 0.00 C ATOM 1520 O GLY A 97 10.056 3.004 5.830 1.00 0.00 O ATOM 0 H GLY A 97 7.699 5.624 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.294 4.260 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.592 5.036 5.527 1.00 0.00 H new ATOM 1524 N THR A 98 8.994 2.651 7.796 1.00 0.00 N ATOM 1525 CA THR A 98 9.754 1.455 8.119 1.00 0.00 C ATOM 1526 C THR A 98 9.692 0.456 6.961 1.00 0.00 C ATOM 1527 O THR A 98 10.644 -0.287 6.729 1.00 0.00 O ATOM 1528 CB THR A 98 9.211 0.893 9.435 1.00 0.00 C ATOM 1529 OG1 THR A 98 9.676 1.808 10.422 1.00 0.00 O ATOM 1530 CG2 THR A 98 9.869 -0.435 9.819 1.00 0.00 C ATOM 0 H THR A 98 8.297 2.914 8.492 1.00 0.00 H new ATOM 0 HA THR A 98 10.811 1.682 8.256 1.00 0.00 H new ATOM 0 HB THR A 98 8.133 0.755 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.367 1.520 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.449 -0.791 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.684 -1.172 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.943 -0.289 9.934 1.00 0.00 H new ATOM 1538 N ILE A 99 8.565 0.474 6.266 1.00 0.00 N ATOM 1539 CA ILE A 99 8.368 -0.421 5.138 1.00 0.00 C ATOM 1540 C ILE A 99 9.212 0.063 3.956 1.00 0.00 C ATOM 1541 O ILE A 99 9.749 -0.745 3.201 1.00 0.00 O ATOM 1542 CB ILE A 99 6.879 -0.557 4.814 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.031 -0.448 6.084 1.00 0.00 C ATOM 1544 CG2 ILE A 99 6.600 -1.852 4.049 1.00 0.00 C ATOM 1545 CD1 ILE A 99 6.686 -1.193 7.248 1.00 0.00 C ATOM 0 H ILE A 99 7.779 1.094 6.462 1.00 0.00 H new ATOM 0 HA ILE A 99 8.709 -1.426 5.386 1.00 0.00 H new ATOM 0 HB ILE A 99 6.594 0.269 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.899 0.601 6.348 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.038 -0.858 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.534 -1.924 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.162 -1.851 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.905 -2.705 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.062 -1.099 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.795 -2.247 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.669 -0.765 7.447 1.00 0.00 H new ATOM 1557 N ALA A 100 9.300 1.379 3.834 1.00 0.00 N ATOM 1558 CA ALA A 100 10.070 1.979 2.756 1.00 0.00 C ATOM 1559 C ALA A 100 11.560 1.892 3.090 1.00 0.00 C ATOM 1560 O ALA A 100 12.381 1.620 2.215 1.00 0.00 O ATOM 1561 CB ALA A 100 9.604 3.421 2.540 1.00 0.00 C ATOM 0 H ALA A 100 8.852 2.046 4.462 1.00 0.00 H new ATOM 0 HA ALA A 100 9.910 1.440 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.180 3.872 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.546 3.426 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.754 3.993 3.456 1.00 0.00 H new ATOM 1567 N GLN A 101 11.865 2.129 4.357 1.00 0.00 N ATOM 1568 CA GLN A 101 13.243 2.082 4.817 1.00 0.00 C ATOM 1569 C GLN A 101 13.728 0.632 4.888 1.00 0.00 C ATOM 1570 O GLN A 101 14.905 0.356 4.661 1.00 0.00 O ATOM 1571 CB GLN A 101 13.393 2.776 6.171 1.00 0.00 C ATOM 1572 CG GLN A 101 14.557 2.181 6.967 1.00 0.00 C ATOM 1573 CD GLN A 101 15.174 3.225 7.901 1.00 0.00 C ATOM 1574 OE1 GLN A 101 16.052 3.985 7.529 1.00 0.00 O ATOM 1575 NE2 GLN A 101 14.666 3.219 9.130 1.00 0.00 N ATOM 0 H GLN A 101 11.182 2.354 5.080 1.00 0.00 H new ATOM 0 HA GLN A 101 13.864 2.619 4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 101 13.559 3.843 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.469 2.674 6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 101 14.206 1.329 7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 101 15.317 1.807 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.932 2.555 9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 101 15.011 3.878 9.828 1.00 0.00 H new ATOM 1584 N SER A 102 12.797 -0.257 5.201 1.00 0.00 N ATOM 1585 CA SER A 102 13.116 -1.670 5.305 1.00 0.00 C ATOM 1586 C SER A 102 13.460 -2.231 3.923 1.00 0.00 C ATOM 1587 O SER A 102 14.312 -3.109 3.801 1.00 0.00 O ATOM 1588 CB SER A 102 11.954 -2.453 5.920 1.00 0.00 C ATOM 1589 OG SER A 102 12.181 -3.859 5.887 1.00 0.00 O ATOM 0 H SER A 102 11.821 -0.026 5.386 1.00 0.00 H new ATOM 0 HA SER A 102 13.980 -1.779 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.807 -2.134 6.952 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.035 -2.221 5.381 1.00 0.00 H new ATOM 0 HG SER A 102 11.418 -4.323 6.290 1.00 0.00 H new ATOM 1595 N LEU A 103 12.779 -1.700 2.918 1.00 0.00 N ATOM 1596 CA LEU A 103 13.002 -2.137 1.550 1.00 0.00 C ATOM 1597 C LEU A 103 13.710 -1.025 0.774 1.00 0.00 C ATOM 1598 O LEU A 103 13.782 -1.068 -0.454 1.00 0.00 O ATOM 1599 CB LEU A 103 11.688 -2.592 0.912 1.00 0.00 C ATOM 1600 CG LEU A 103 11.062 -3.859 1.497 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.545 -3.867 1.291 1.00 0.00 C ATOM 1602 CD2 LEU A 103 11.724 -5.114 0.925 1.00 0.00 C ATOM 0 H LEU A 103 12.073 -0.972 3.024 1.00 0.00 H new ATOM 0 HA LEU A 103 13.657 -3.008 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.965 -1.781 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.861 -2.754 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 103 11.242 -3.862 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.125 -4.779 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.106 -3.000 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.322 -3.828 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.260 -6.000 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.598 -5.131 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.787 -5.107 1.166 1.00 0.00 H new ATOM 1614 N ASN A 104 14.215 -0.054 1.521 1.00 0.00 N ATOM 1615 CA ASN A 104 14.915 1.068 0.917 1.00 0.00 C ATOM 1616 C ASN A 104 14.174 1.505 -0.346 1.00 0.00 C ATOM 1617 O ASN A 104 14.637 1.260 -1.459 1.00 0.00 O ATOM 1618 CB ASN A 104 16.340 0.677 0.519 1.00 0.00 C ATOM 1619 CG ASN A 104 16.970 1.745 -0.377 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.009 2.920 -0.052 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.461 1.272 -1.519 1.00 0.00 N ATOM 0 H ASN A 104 14.154 -0.021 2.539 1.00 0.00 H new ATOM 0 HA ASN A 104 14.953 1.876 1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.948 0.543 1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.326 -0.280 -0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 104 17.904 1.905 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.395 0.276 -1.729 1.00 0.00 H new ATOM 1628 N ILE A 105 13.033 2.145 -0.134 1.00 0.00 N ATOM 1629 CA ILE A 105 12.224 2.620 -1.243 1.00 0.00 C ATOM 1630 C ILE A 105 12.264 4.149 -1.282 1.00 0.00 C ATOM 1631 O ILE A 105 12.095 4.804 -0.253 1.00 0.00 O ATOM 1632 CB ILE A 105 10.809 2.044 -1.157 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.842 0.517 -1.073 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.946 2.535 -2.323 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.460 -0.044 -0.736 1.00 0.00 C ATOM 0 H ILE A 105 12.650 2.346 0.790 1.00 0.00 H new ATOM 0 HA ILE A 105 12.632 2.267 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 105 10.348 2.407 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.184 0.104 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.559 0.207 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.945 2.111 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.883 3.623 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.395 2.221 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.512 -1.131 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.131 0.351 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.750 0.248 -1.510 1.00 0.00 H new ATOM 1647 N SER A 106 12.489 4.675 -2.477 1.00 0.00 N ATOM 1648 CA SER A 106 12.555 6.113 -2.663 1.00 0.00 C ATOM 1649 C SER A 106 12.001 6.489 -4.039 1.00 0.00 C ATOM 1650 O SER A 106 12.474 7.437 -4.664 1.00 0.00 O ATOM 1651 CB SER A 106 13.988 6.625 -2.511 1.00 0.00 C ATOM 1652 OG SER A 106 14.915 5.848 -3.266 1.00 0.00 O ATOM 0 H SER A 106 12.628 4.129 -3.327 1.00 0.00 H new ATOM 0 HA SER A 106 11.947 6.584 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.038 7.665 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.271 6.605 -1.458 1.00 0.00 H new ATOM 0 HG SER A 106 15.819 6.207 -3.144 1.00 0.00 H new ATOM 1658 N VAL A 107 11.006 5.727 -4.469 1.00 0.00 N ATOM 1659 CA VAL A 107 10.382 5.968 -5.759 1.00 0.00 C ATOM 1660 C VAL A 107 8.900 5.599 -5.682 1.00 0.00 C ATOM 1661 O VAL A 107 8.548 4.530 -5.186 1.00 0.00 O ATOM 1662 CB VAL A 107 11.133 5.204 -6.854 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.430 3.769 -6.416 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.353 5.227 -8.169 1.00 0.00 C ATOM 0 H VAL A 107 10.616 4.942 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 107 10.440 7.025 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 107 12.086 5.706 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.964 3.249 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.044 3.783 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.494 3.251 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.907 4.678 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.379 4.761 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.216 6.259 -8.493 1.00 0.00 H new ATOM 1674 N TYR A 108 8.071 6.504 -6.180 1.00 0.00 N ATOM 1675 CA TYR A 108 6.634 6.286 -6.174 1.00 0.00 C ATOM 1676 C TYR A 108 6.031 6.565 -7.552 1.00 0.00 C ATOM 1677 O TYR A 108 6.571 7.360 -8.321 1.00 0.00 O ATOM 1678 CB TYR A 108 6.061 7.288 -5.168 1.00 0.00 C ATOM 1679 CG TYR A 108 6.548 7.076 -3.733 1.00 0.00 C ATOM 1680 CD1 TYR A 108 6.866 5.807 -3.292 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.670 8.154 -2.881 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.323 5.608 -1.941 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.128 7.955 -1.529 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.432 6.692 -1.126 1.00 0.00 C ATOM 1685 OH TYR A 108 7.865 6.503 0.149 1.00 0.00 O ATOM 0 H TYR A 108 8.366 7.390 -6.590 1.00 0.00 H new ATOM 0 HA TYR A 108 6.403 5.253 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.325 8.297 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 108 4.973 7.223 -5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.772 4.964 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.422 9.147 -3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.574 4.620 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.228 8.790 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 108 8.470 5.732 0.178 1.00 0.00 H new ATOM 1695 N PRO A 109 4.892 5.877 -7.829 1.00 0.00 N ATOM 1696 CA PRO A 109 4.319 4.956 -6.862 1.00 0.00 C ATOM 1697 C PRO A 109 5.126 3.658 -6.797 1.00 0.00 C ATOM 1698 O PRO A 109 5.841 3.320 -7.739 1.00 0.00 O ATOM 1699 CB PRO A 109 2.886 4.742 -7.324 1.00 0.00 C ATOM 1700 CG PRO A 109 2.847 5.178 -8.780 1.00 0.00 C ATOM 1701 CD PRO A 109 4.120 5.959 -9.067 1.00 0.00 C ATOM 0 HA PRO A 109 4.341 5.346 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.595 3.697 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.190 5.327 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 109 2.775 4.311 -9.436 1.00 0.00 H new ATOM 0 HG3 PRO A 109 1.969 5.796 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.668 5.529 -9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.899 6.994 -9.328 1.00 0.00 H new ATOM 1709 N SER A 110 4.985 2.967 -5.675 1.00 0.00 N ATOM 1710 CA SER A 110 5.692 1.714 -5.475 1.00 0.00 C ATOM 1711 C SER A 110 4.721 0.635 -4.994 1.00 0.00 C ATOM 1712 O SER A 110 3.636 0.946 -4.502 1.00 0.00 O ATOM 1713 CB SER A 110 6.838 1.881 -4.474 1.00 0.00 C ATOM 1714 OG SER A 110 8.101 1.993 -5.121 1.00 0.00 O ATOM 0 H SER A 110 4.392 3.251 -4.896 1.00 0.00 H new ATOM 0 HA SER A 110 6.121 1.408 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.662 2.769 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.853 1.028 -3.795 1.00 0.00 H new ATOM 0 HG SER A 110 8.235 2.917 -5.419 1.00 0.00 H new ATOM 1720 N TRP A 111 5.143 -0.611 -5.152 1.00 0.00 N ATOM 1721 CA TRP A 111 4.323 -1.737 -4.738 1.00 0.00 C ATOM 1722 C TRP A 111 5.222 -2.732 -4.004 1.00 0.00 C ATOM 1723 O TRP A 111 6.358 -2.969 -4.413 1.00 0.00 O ATOM 1724 CB TRP A 111 3.599 -2.357 -5.936 1.00 0.00 C ATOM 1725 CG TRP A 111 2.603 -1.414 -6.617 1.00 0.00 C ATOM 1726 CD1 TRP A 111 2.861 -0.444 -7.504 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.173 -1.394 -6.429 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.706 0.199 -7.899 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.647 -0.397 -7.225 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.351 -2.191 -5.613 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.721 -0.105 -7.283 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -1.014 -1.886 -5.682 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.559 -0.886 -6.479 1.00 0.00 C ATOM 0 H TRP A 111 6.042 -0.866 -5.561 1.00 0.00 H new ATOM 0 HA TRP A 111 3.536 -1.412 -4.058 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.339 -2.678 -6.669 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.070 -3.251 -5.605 1.00 0.00 H new ATOM 0 HD1 TRP A 111 3.849 -0.196 -7.864 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.641 0.970 -8.564 1.00 0.00 H new ATOM 0 HE3 TRP A 111 0.741 -2.976 -4.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.109 0.681 -7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.690 -2.468 -5.074 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.625 -0.712 -6.478 1.00 0.00 H new ATOM 1744 N ALA A 112 4.681 -3.291 -2.930 1.00 0.00 N ATOM 1745 CA ALA A 112 5.421 -4.255 -2.134 1.00 0.00 C ATOM 1746 C ALA A 112 4.544 -5.485 -1.888 1.00 0.00 C ATOM 1747 O ALA A 112 3.384 -5.358 -1.504 1.00 0.00 O ATOM 1748 CB ALA A 112 5.881 -3.597 -0.832 1.00 0.00 C ATOM 0 H ALA A 112 3.739 -3.094 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 112 6.314 -4.586 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.436 -4.321 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.523 -2.747 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.012 -3.254 -0.271 1.00 0.00 H new ATOM 1754 N LEU A 113 5.136 -6.649 -2.119 1.00 0.00 N ATOM 1755 CA LEU A 113 4.424 -7.901 -1.927 1.00 0.00 C ATOM 1756 C LEU A 113 4.971 -8.608 -0.686 1.00 0.00 C ATOM 1757 O LEU A 113 6.177 -8.820 -0.570 1.00 0.00 O ATOM 1758 CB LEU A 113 4.483 -8.751 -3.197 1.00 0.00 C ATOM 1759 CG LEU A 113 3.970 -10.188 -3.068 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.441 -10.222 -3.046 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.549 -11.077 -4.170 1.00 0.00 C ATOM 0 H LEU A 113 6.100 -6.751 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 113 3.365 -7.714 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.906 -8.249 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.517 -8.785 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 113 4.315 -10.592 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.101 -11.254 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.076 -9.643 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.054 -9.794 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.169 -12.092 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.255 -10.687 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.636 -11.086 -4.096 1.00 0.00 H new ATOM 1773 N ILE A 114 4.058 -8.955 0.210 1.00 0.00 N ATOM 1774 CA ILE A 114 4.435 -9.635 1.437 1.00 0.00 C ATOM 1775 C ILE A 114 3.862 -11.053 1.425 1.00 0.00 C ATOM 1776 O ILE A 114 2.688 -11.250 1.116 1.00 0.00 O ATOM 1777 CB ILE A 114 4.014 -8.812 2.656 1.00 0.00 C ATOM 1778 CG1 ILE A 114 5.030 -7.707 2.948 1.00 0.00 C ATOM 1779 CG2 ILE A 114 3.782 -9.712 3.871 1.00 0.00 C ATOM 1780 CD1 ILE A 114 5.196 -6.781 1.740 1.00 0.00 C ATOM 0 H ILE A 114 3.058 -8.778 0.110 1.00 0.00 H new ATOM 0 HA ILE A 114 5.519 -9.729 1.503 1.00 0.00 H new ATOM 0 HB ILE A 114 3.065 -8.326 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.705 -7.128 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.992 -8.151 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.484 -9.102 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.994 -10.431 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.702 -10.245 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.924 -6.004 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.545 -7.359 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.238 -6.320 1.501 1.00 0.00 H new ATOM 1792 N GLY A 115 4.719 -12.006 1.765 1.00 0.00 N ATOM 1793 CA GLY A 115 4.312 -13.401 1.798 1.00 0.00 C ATOM 1794 C GLY A 115 3.052 -13.585 2.646 1.00 0.00 C ATOM 1795 O GLY A 115 2.628 -12.664 3.342 1.00 0.00 O ATOM 0 H GLY A 115 5.693 -11.839 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.126 -13.753 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.120 -14.010 2.204 1.00 0.00 H new ATOM 1799 N LYS A 116 2.489 -14.782 2.558 1.00 0.00 N ATOM 1800 CA LYS A 116 1.285 -15.098 3.308 1.00 0.00 C ATOM 1801 C LYS A 116 1.621 -15.166 4.799 1.00 0.00 C ATOM 1802 O LYS A 116 0.725 -15.167 5.642 1.00 0.00 O ATOM 1803 CB LYS A 116 0.636 -16.373 2.767 1.00 0.00 C ATOM 1804 CG LYS A 116 1.572 -17.574 2.923 1.00 0.00 C ATOM 1805 CD LYS A 116 1.365 -18.582 1.790 1.00 0.00 C ATOM 1806 CE LYS A 116 1.246 -20.005 2.338 1.00 0.00 C ATOM 1807 NZ LYS A 116 -0.131 -20.516 2.157 1.00 0.00 N ATOM 0 H LYS A 116 2.844 -15.543 1.980 1.00 0.00 H new ATOM 0 HA LYS A 116 0.542 -14.311 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.297 -16.563 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.383 -16.239 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.608 -17.234 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.391 -18.058 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.464 -18.327 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.200 -18.526 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.953 -20.658 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.509 -20.017 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.195 -21.483 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.799 -19.901 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.368 -20.523 1.144 1.00 0.00 H new ATOM 1820 N ASP A 117 2.916 -15.219 5.079 1.00 0.00 N ATOM 1821 CA ASP A 117 3.381 -15.286 6.454 1.00 0.00 C ATOM 1822 C ASP A 117 3.491 -13.868 7.020 1.00 0.00 C ATOM 1823 O ASP A 117 3.551 -13.685 8.235 1.00 0.00 O ATOM 1824 CB ASP A 117 4.763 -15.937 6.536 1.00 0.00 C ATOM 1825 CG ASP A 117 4.761 -17.410 6.948 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.501 -18.302 6.127 1.00 0.00 O ATOM 1827 OD2 ASP A 117 5.046 -17.631 8.186 1.00 0.00 O ATOM 0 H ASP A 117 3.656 -15.217 4.378 1.00 0.00 H new ATOM 0 HA ASP A 117 2.668 -15.882 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.248 -15.848 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.370 -15.377 7.248 1.00 0.00 H new ATOM 1833 N GLY A 118 3.515 -12.904 6.112 1.00 0.00 N ATOM 1834 CA GLY A 118 3.617 -11.508 6.506 1.00 0.00 C ATOM 1835 C GLY A 118 5.066 -11.023 6.434 1.00 0.00 C ATOM 1836 O GLY A 118 5.480 -10.175 7.224 1.00 0.00 O ATOM 0 H GLY A 118 3.466 -13.061 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.992 -10.896 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.238 -11.384 7.520 1.00 0.00 H new ATOM 1840 N ASP A 119 5.796 -11.581 5.480 1.00 0.00 N ATOM 1841 CA ASP A 119 7.190 -11.215 5.293 1.00 0.00 C ATOM 1842 C ASP A 119 7.405 -10.758 3.850 1.00 0.00 C ATOM 1843 O ASP A 119 6.816 -11.314 2.924 1.00 0.00 O ATOM 1844 CB ASP A 119 8.111 -12.408 5.554 1.00 0.00 C ATOM 1845 CG ASP A 119 8.262 -13.376 4.378 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.500 -14.345 4.248 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.225 -13.100 3.564 1.00 0.00 O ATOM 0 H ASP A 119 5.449 -12.284 4.828 1.00 0.00 H new ATOM 0 HA ASP A 119 7.426 -10.416 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.098 -12.034 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.731 -12.960 6.414 1.00 0.00 H new ATOM 1853 N VAL A 120 8.249 -9.747 3.702 1.00 0.00 N ATOM 1854 CA VAL A 120 8.548 -9.209 2.386 1.00 0.00 C ATOM 1855 C VAL A 120 8.786 -10.362 1.409 1.00 0.00 C ATOM 1856 O VAL A 120 9.707 -11.157 1.594 1.00 0.00 O ATOM 1857 CB VAL A 120 9.735 -8.246 2.472 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.164 -7.778 1.080 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.407 -7.052 3.374 1.00 0.00 C ATOM 0 H VAL A 120 8.735 -9.287 4.472 1.00 0.00 H new ATOM 0 HA VAL A 120 7.703 -8.632 2.009 1.00 0.00 H new ATOM 0 HB VAL A 120 10.572 -8.784 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.009 -7.095 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.457 -8.640 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.333 -7.265 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.266 -6.383 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.549 -6.515 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.172 -7.408 4.377 1.00 0.00 H new ATOM 1869 N GLN A 121 7.939 -10.417 0.391 1.00 0.00 N ATOM 1870 CA GLN A 121 8.045 -11.461 -0.614 1.00 0.00 C ATOM 1871 C GLN A 121 8.772 -10.932 -1.852 1.00 0.00 C ATOM 1872 O GLN A 121 9.794 -11.483 -2.258 1.00 0.00 O ATOM 1873 CB GLN A 121 6.665 -12.010 -0.981 1.00 0.00 C ATOM 1874 CG GLN A 121 6.786 -13.322 -1.760 1.00 0.00 C ATOM 1875 CD GLN A 121 5.745 -14.339 -1.288 1.00 0.00 C ATOM 1876 OE1 GLN A 121 4.594 -14.320 -1.690 1.00 0.00 O ATOM 1877 NE2 GLN A 121 6.213 -15.225 -0.413 1.00 0.00 N ATOM 0 H GLN A 121 7.177 -9.756 0.241 1.00 0.00 H new ATOM 0 HA GLN A 121 8.627 -12.283 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.082 -12.174 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.125 -11.276 -1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.655 -13.130 -2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.787 -13.734 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.189 -15.184 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.596 -15.945 -0.037 1.00 0.00 H new ATOM 1886 N ARG A 122 8.215 -9.872 -2.418 1.00 0.00 N ATOM 1887 CA ARG A 122 8.797 -9.263 -3.601 1.00 0.00 C ATOM 1888 C ARG A 122 8.543 -7.754 -3.602 1.00 0.00 C ATOM 1889 O ARG A 122 7.464 -7.302 -3.223 1.00 0.00 O ATOM 1890 CB ARG A 122 8.213 -9.871 -4.878 1.00 0.00 C ATOM 1891 CG ARG A 122 9.125 -9.609 -6.078 1.00 0.00 C ATOM 1892 CD ARG A 122 9.878 -10.879 -6.482 1.00 0.00 C ATOM 1893 NE ARG A 122 11.237 -10.533 -6.952 1.00 0.00 N ATOM 1894 CZ ARG A 122 12.282 -10.286 -6.134 1.00 0.00 C ATOM 1895 NH1 ARG A 122 12.132 -10.344 -4.794 1.00 0.00 N ATOM 1896 NH2 ARG A 122 13.453 -9.986 -6.665 1.00 0.00 N ATOM 0 H ARG A 122 7.366 -9.419 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 122 9.870 -9.455 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.080 -10.945 -4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.226 -9.448 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.531 -9.251 -6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.838 -8.822 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.940 -11.560 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.333 -11.400 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 122 11.395 -10.477 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.224 -10.576 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.927 -10.156 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.557 -9.944 -7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.253 -9.796 -6.061 1.00 0.00 H new ATOM 1909 N ILE A 123 9.556 -7.016 -4.032 1.00 0.00 N ATOM 1910 CA ILE A 123 9.457 -5.567 -4.086 1.00 0.00 C ATOM 1911 C ILE A 123 9.288 -5.127 -5.540 1.00 0.00 C ATOM 1912 O ILE A 123 10.002 -5.600 -6.424 1.00 0.00 O ATOM 1913 CB ILE A 123 10.652 -4.920 -3.382 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.399 -3.435 -3.124 1.00 0.00 C ATOM 1915 CG2 ILE A 123 11.943 -5.154 -4.170 1.00 0.00 C ATOM 1916 CD1 ILE A 123 10.012 -3.190 -1.664 1.00 0.00 C ATOM 0 H ILE A 123 10.450 -7.394 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 123 8.575 -5.225 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 123 10.776 -5.398 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.294 -2.862 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.604 -3.079 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.777 -4.684 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.126 -6.225 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.846 -4.720 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 123 9.838 -2.125 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 123 9.103 -3.745 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 123 10.819 -3.525 -1.013 1.00 0.00 H new ATOM 1928 N VAL A 124 8.340 -4.224 -5.746 1.00 0.00 N ATOM 1929 CA VAL A 124 8.068 -3.714 -7.080 1.00 0.00 C ATOM 1930 C VAL A 124 8.176 -2.188 -7.069 1.00 0.00 C ATOM 1931 O VAL A 124 7.587 -1.526 -6.215 1.00 0.00 O ATOM 1932 CB VAL A 124 6.704 -4.213 -7.564 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.358 -3.623 -8.931 1.00 0.00 C ATOM 1934 CG2 VAL A 124 6.662 -5.744 -7.599 1.00 0.00 C ATOM 0 H VAL A 124 7.751 -3.832 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 124 8.806 -4.088 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 124 5.951 -3.873 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.384 -3.994 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.327 -2.536 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.115 -3.918 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.683 -6.073 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.431 -6.114 -8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.843 -6.136 -6.598 1.00 0.00 H new ATOM 1944 N LYS A 125 8.932 -1.674 -8.029 1.00 0.00 N ATOM 1945 CA LYS A 125 9.125 -0.238 -8.139 1.00 0.00 C ATOM 1946 C LYS A 125 8.550 0.247 -9.471 1.00 0.00 C ATOM 1947 O LYS A 125 8.992 -0.182 -10.536 1.00 0.00 O ATOM 1948 CB LYS A 125 10.598 0.122 -7.938 1.00 0.00 C ATOM 1949 CG LYS A 125 11.006 -0.039 -6.472 1.00 0.00 C ATOM 1950 CD LYS A 125 12.528 -0.119 -6.332 1.00 0.00 C ATOM 1951 CE LYS A 125 12.928 -1.155 -5.280 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.400 -1.222 -5.152 1.00 0.00 N ATOM 0 H LYS A 125 9.417 -2.226 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 125 8.584 0.281 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.221 -0.516 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.772 1.150 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.627 0.802 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.552 -0.941 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.972 -0.381 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.923 0.858 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.485 -0.895 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.536 -2.134 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.654 -1.930 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.816 -1.491 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.766 -0.292 -4.866 1.00 0.00 H new ATOM 1965 N GLY A 126 7.573 1.136 -9.368 1.00 0.00 N ATOM 1966 CA GLY A 126 6.933 1.685 -10.553 1.00 0.00 C ATOM 1967 C GLY A 126 5.414 1.510 -10.486 1.00 0.00 C ATOM 1968 O GLY A 126 4.878 1.101 -9.456 1.00 0.00 O ATOM 0 H GLY A 126 7.209 1.490 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.177 2.743 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.321 1.189 -11.443 1.00 0.00 H new ATOM 1972 N SER A 127 4.765 1.826 -11.596 1.00 0.00 N ATOM 1973 CA SER A 127 3.319 1.709 -11.677 1.00 0.00 C ATOM 1974 C SER A 127 2.938 0.456 -12.466 1.00 0.00 C ATOM 1975 O SER A 127 3.525 0.174 -13.512 1.00 0.00 O ATOM 1976 CB SER A 127 2.700 2.951 -12.321 1.00 0.00 C ATOM 1977 OG SER A 127 3.285 4.155 -11.831 1.00 0.00 O ATOM 0 H SER A 127 5.214 2.163 -12.448 1.00 0.00 H new ATOM 0 HA SER A 127 2.926 1.625 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.827 2.900 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.628 2.964 -12.127 1.00 0.00 H new ATOM 0 HG SER A 127 2.864 4.925 -12.268 1.00 0.00 H new ATOM 1983 N ILE A 128 1.960 -0.264 -11.938 1.00 0.00 N ATOM 1984 CA ILE A 128 1.494 -1.481 -12.581 1.00 0.00 C ATOM 1985 C ILE A 128 0.046 -1.290 -13.038 1.00 0.00 C ATOM 1986 O ILE A 128 -0.638 -0.377 -12.578 1.00 0.00 O ATOM 1987 CB ILE A 128 1.695 -2.685 -11.659 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.074 -2.432 -10.284 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.174 -3.059 -11.558 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.903 -3.740 -9.509 1.00 0.00 C ATOM 0 H ILE A 128 1.477 -0.028 -11.071 1.00 0.00 H new ATOM 0 HA ILE A 128 2.084 -1.690 -13.473 1.00 0.00 H new ATOM 0 HB ILE A 128 1.176 -3.539 -12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.706 -1.749 -9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.105 -1.946 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.288 -3.918 -10.896 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.554 -3.311 -12.548 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.736 -2.215 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.460 -3.531 -8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.251 -4.411 -10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.876 -4.211 -9.371 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.377 -2.167 -13.935 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.732 -2.107 -14.458 1.00 0.00 C ATOM 2004 C ASN A 129 -2.546 -3.271 -13.890 1.00 0.00 C ATOM 2005 O ASN A 129 -1.988 -4.188 -13.290 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.739 -2.226 -15.985 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.676 -3.218 -16.462 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.411 -4.231 -15.838 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -0.085 -2.870 -17.601 1.00 0.00 N ATOM 0 H ASN A 129 0.194 -2.923 -14.313 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.163 -1.149 -14.168 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.723 -2.551 -16.324 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.555 -1.248 -16.430 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.638 -3.466 -18.003 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -0.355 -2.007 -18.073 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.853 -3.196 -14.101 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.749 -4.231 -13.616 1.00 0.00 C ATOM 2018 C GLU A 130 -4.233 -5.613 -14.025 1.00 0.00 C ATOM 2019 O GLU A 130 -4.272 -6.553 -13.233 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.174 -4.006 -14.125 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.070 -5.200 -13.794 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.534 -4.892 -14.114 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -9.124 -3.982 -13.511 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.060 -5.637 -15.027 1.00 0.00 O ATOM 0 H GLU A 130 -4.312 -2.434 -14.601 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.775 -4.181 -12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.586 -3.102 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.158 -3.847 -15.203 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.745 -6.072 -14.362 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.970 -5.453 -12.738 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.761 -5.691 -15.260 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.238 -6.943 -15.783 1.00 0.00 C ATOM 2034 C ALA A 131 -2.137 -7.457 -14.855 1.00 0.00 C ATOM 2035 O ALA A 131 -2.186 -8.600 -14.402 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.742 -6.730 -17.215 1.00 0.00 C ATOM 0 H ALA A 131 -3.729 -4.909 -15.914 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.020 -7.701 -15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.350 -7.668 -17.608 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.569 -6.393 -17.840 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.954 -5.977 -17.219 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.168 -6.591 -14.600 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.057 -6.943 -13.734 1.00 0.00 C ATOM 2044 C GLN A 132 -0.573 -7.519 -12.414 1.00 0.00 C ATOM 2045 O GLN A 132 -0.072 -8.538 -11.939 1.00 0.00 O ATOM 2046 CB GLN A 132 0.852 -5.737 -13.488 1.00 0.00 C ATOM 2047 CG GLN A 132 2.158 -5.863 -14.275 1.00 0.00 C ATOM 2048 CD GLN A 132 2.432 -4.598 -15.089 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.158 -3.486 -14.668 1.00 0.00 O ATOM 2050 NE2 GLN A 132 2.987 -4.827 -16.276 1.00 0.00 N ATOM 0 H GLN A 132 -1.130 -5.645 -14.979 1.00 0.00 H new ATOM 0 HA GLN A 132 0.538 -7.708 -14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.335 -4.823 -13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.072 -5.654 -12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.985 -6.044 -13.588 1.00 0.00 H new ATOM 0 HG3 GLN A 132 2.103 -6.724 -14.941 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.191 -5.783 -16.568 1.00 0.00 H new ATOM 0 HE22 GLN A 132 3.209 -4.047 -16.894 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.568 -6.842 -11.860 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.158 -7.274 -10.604 1.00 0.00 C ATOM 2061 C ALA A 133 -2.538 -8.752 -10.705 1.00 0.00 C ATOM 2062 O ALA A 133 -2.258 -9.532 -9.797 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.359 -6.385 -10.272 1.00 0.00 C ATOM 0 H ALA A 133 -1.980 -5.998 -12.257 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.441 -7.173 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.802 -6.709 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -3.031 -5.349 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.100 -6.463 -11.067 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.168 -9.094 -11.819 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.590 -10.464 -12.051 1.00 0.00 C ATOM 2071 C LEU A 134 -2.354 -11.345 -12.255 1.00 0.00 C ATOM 2072 O LEU A 134 -2.199 -12.367 -11.588 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.589 -10.531 -13.207 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.721 -9.502 -13.174 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -6.611 -9.627 -14.411 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.525 -9.614 -11.876 1.00 0.00 C ATOM 0 H LEU A 134 -3.397 -8.445 -12.572 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.120 -10.851 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.042 -10.410 -14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.030 -11.527 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.279 -8.506 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.407 -8.884 -14.363 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.014 -9.461 -15.307 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.047 -10.625 -14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.323 -8.872 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.957 -10.612 -11.801 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.868 -9.438 -11.025 1.00 0.00 H new ATOM 2088 N ALA A 135 -1.508 -10.916 -13.179 1.00 0.00 N ATOM 2089 CA ALA A 135 -0.292 -11.653 -13.481 1.00 0.00 C ATOM 2090 C ALA A 135 0.484 -11.898 -12.184 1.00 0.00 C ATOM 2091 O ALA A 135 1.282 -12.830 -12.101 1.00 0.00 O ATOM 2092 CB ALA A 135 0.530 -10.881 -14.515 1.00 0.00 C ATOM 0 H ALA A 135 -1.640 -10.067 -13.729 1.00 0.00 H new ATOM 0 HA ALA A 135 -0.529 -12.625 -13.914 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.442 -11.434 -14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.055 -10.758 -15.426 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.790 -9.901 -14.115 1.00 0.00 H new ATOM 2098 N LEU A 136 0.222 -11.045 -11.206 1.00 0.00 N ATOM 2099 CA LEU A 136 0.886 -11.156 -9.918 1.00 0.00 C ATOM 2100 C LEU A 136 0.261 -12.305 -9.125 1.00 0.00 C ATOM 2101 O LEU A 136 0.973 -13.153 -8.586 1.00 0.00 O ATOM 2102 CB LEU A 136 0.857 -9.815 -9.181 1.00 0.00 C ATOM 2103 CG LEU A 136 1.482 -9.804 -7.785 1.00 0.00 C ATOM 2104 CD1 LEU A 136 2.778 -8.990 -7.771 1.00 0.00 C ATOM 2105 CD2 LEU A 136 0.481 -9.304 -6.741 1.00 0.00 C ATOM 0 H LEU A 136 -0.441 -10.273 -11.279 1.00 0.00 H new ATOM 0 HA LEU A 136 1.941 -11.396 -10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.372 -9.075 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.181 -9.492 -9.096 1.00 0.00 H new ATOM 0 HG LEU A 136 1.742 -10.829 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.202 -8.998 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.491 -9.429 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.566 -7.963 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.950 -9.306 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 136 0.169 -8.290 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -0.390 -9.959 -6.729 1.00 0.00 H new ATOM 2117 N ILE A 137 -1.063 -12.300 -9.079 1.00 0.00 N ATOM 2118 CA ILE A 137 -1.792 -13.332 -8.361 1.00 0.00 C ATOM 2119 C ILE A 137 -1.666 -14.657 -9.116 1.00 0.00 C ATOM 2120 O ILE A 137 -1.814 -15.727 -8.527 1.00 0.00 O ATOM 2121 CB ILE A 137 -3.239 -12.897 -8.119 1.00 0.00 C ATOM 2122 CG1 ILE A 137 -3.297 -11.670 -7.206 1.00 0.00 C ATOM 2123 CG2 ILE A 137 -4.076 -14.056 -7.575 1.00 0.00 C ATOM 2124 CD1 ILE A 137 -4.306 -10.646 -7.729 1.00 0.00 C ATOM 0 H ILE A 137 -1.650 -11.597 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.361 -13.485 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.673 -12.607 -9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.573 -11.976 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.310 -11.213 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.100 -13.720 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.073 -14.876 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.652 -14.399 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -4.328 -9.784 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -4.013 -10.325 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -5.297 -11.099 -7.769 1.00 0.00 H new ATOM 2136 N ARG A 138 -1.396 -14.543 -10.407 1.00 0.00 N ATOM 2137 CA ARG A 138 -1.248 -15.718 -11.249 1.00 0.00 C ATOM 2138 C ARG A 138 0.158 -16.304 -11.102 1.00 0.00 C ATOM 2139 O ARG A 138 0.315 -17.510 -10.922 1.00 0.00 O ATOM 2140 CB ARG A 138 -1.502 -15.379 -12.719 1.00 0.00 C ATOM 2141 CG ARG A 138 -2.648 -16.217 -13.286 1.00 0.00 C ATOM 2142 CD ARG A 138 -2.113 -17.411 -14.081 1.00 0.00 C ATOM 2143 NE ARG A 138 -3.236 -18.271 -14.519 1.00 0.00 N ATOM 2144 CZ ARG A 138 -3.890 -19.130 -13.710 1.00 0.00 C ATOM 2145 NH1 ARG A 138 -3.539 -19.251 -12.411 1.00 0.00 N ATOM 2146 NH2 ARG A 138 -4.877 -19.850 -14.206 1.00 0.00 N ATOM 0 H ARG A 138 -1.276 -13.654 -10.892 1.00 0.00 H new ATOM 0 HA ARG A 138 -1.986 -16.452 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -1.740 -14.320 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -0.596 -15.557 -13.298 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -3.281 -16.571 -12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.273 -15.597 -13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -1.553 -17.060 -14.948 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -1.421 -17.987 -13.467 1.00 0.00 H new ATOM 0 HE ARG A 138 -3.534 -18.210 -15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -2.774 -18.690 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -4.039 -19.903 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -5.136 -19.753 -15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -5.382 -20.504 -13.608 1.00 0.00 H new ATOM 2159 N ASP A 139 1.142 -15.422 -11.183 1.00 0.00 N ATOM 2160 CA ASP A 139 2.530 -15.836 -11.061 1.00 0.00 C ATOM 2161 C ASP A 139 3.370 -14.655 -10.571 1.00 0.00 C ATOM 2162 O ASP A 139 3.375 -13.593 -11.191 1.00 0.00 O ATOM 2163 CB ASP A 139 3.090 -16.287 -12.411 1.00 0.00 C ATOM 2164 CG ASP A 139 4.281 -17.246 -12.331 1.00 0.00 C ATOM 2165 OD1 ASP A 139 5.084 -17.188 -11.388 1.00 0.00 O ATOM 2166 OD2 ASP A 139 4.366 -18.091 -13.301 1.00 0.00 O ATOM 0 H ASP A 139 1.007 -14.422 -11.332 1.00 0.00 H new ATOM 0 HA ASP A 139 2.573 -16.667 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.292 -16.769 -12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.391 -15.404 -12.975 1.00 0.00 H new ATOM 2172 N PRO A 140 4.077 -14.886 -9.433 1.00 0.00 N ATOM 2173 CA PRO A 140 4.918 -13.854 -8.851 1.00 0.00 C ATOM 2174 C PRO A 140 6.207 -13.678 -9.658 1.00 0.00 C ATOM 2175 O PRO A 140 6.926 -12.697 -9.481 1.00 0.00 O ATOM 2176 CB PRO A 140 5.169 -14.308 -7.423 1.00 0.00 C ATOM 2177 CG PRO A 140 4.850 -15.794 -7.397 1.00 0.00 C ATOM 2178 CD PRO A 140 4.095 -16.132 -8.671 1.00 0.00 C ATOM 0 HA PRO A 140 4.447 -12.871 -8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 140 6.203 -14.125 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 140 4.538 -13.761 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 140 5.767 -16.380 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.250 -16.040 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 140 4.591 -16.928 -9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 140 3.084 -16.477 -8.453 1.00 0.00 H new ATOM 2186 N ASN A 141 6.460 -14.646 -10.528 1.00 0.00 N ATOM 2187 CA ASN A 141 7.648 -14.611 -11.362 1.00 0.00 C ATOM 2188 C ASN A 141 7.420 -13.648 -12.528 1.00 0.00 C ATOM 2189 O ASN A 141 8.369 -13.071 -13.057 1.00 0.00 O ATOM 2190 CB ASN A 141 7.955 -15.994 -11.943 1.00 0.00 C ATOM 2191 CG ASN A 141 8.496 -16.933 -10.864 1.00 0.00 C ATOM 2192 OD1 ASN A 141 9.586 -16.760 -10.344 1.00 0.00 O ATOM 2193 ND2 ASN A 141 7.678 -17.936 -10.561 1.00 0.00 N ATOM 0 H ASN A 141 5.861 -15.459 -10.673 1.00 0.00 H new ATOM 0 HA ASN A 141 8.484 -14.286 -10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 141 7.051 -16.418 -12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 141 8.684 -15.901 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 141 7.949 -18.620 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 141 6.779 -18.022 -11.035 1.00 0.00 H new ATOM 2200 N ALA A 142 6.154 -13.501 -12.894 1.00 0.00 N ATOM 2201 CA ALA A 142 5.788 -12.618 -13.988 1.00 0.00 C ATOM 2202 C ALA A 142 6.317 -11.211 -13.699 1.00 0.00 C ATOM 2203 O ALA A 142 5.794 -10.514 -12.832 1.00 0.00 O ATOM 2204 CB ALA A 142 4.271 -12.644 -14.180 1.00 0.00 C ATOM 0 H ALA A 142 5.369 -13.979 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 142 6.239 -12.955 -14.921 1.00 0.00 H new ATOM 0 HB1 ALA A 142 3.997 -11.981 -15.001 1.00 0.00 H new ATOM 0 HB2 ALA A 142 3.951 -13.660 -14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 142 3.783 -12.309 -13.265 1.00 0.00 H new ATOM 2210 N ASP A 143 7.347 -10.836 -14.444 1.00 0.00 N ATOM 2211 CA ASP A 143 7.951 -9.524 -14.279 1.00 0.00 C ATOM 2212 C ASP A 143 7.609 -8.654 -15.490 1.00 0.00 C ATOM 2213 O ASP A 143 7.336 -9.169 -16.572 1.00 0.00 O ATOM 2214 CB ASP A 143 9.474 -9.627 -14.186 1.00 0.00 C ATOM 2215 CG ASP A 143 10.149 -8.514 -13.382 1.00 0.00 C ATOM 2216 OD1 ASP A 143 10.153 -8.535 -12.143 1.00 0.00 O ATOM 2217 OD2 ASP A 143 10.697 -7.586 -14.091 1.00 0.00 O ATOM 0 H ASP A 143 7.778 -11.417 -15.163 1.00 0.00 H new ATOM 0 HA ASP A 143 7.562 -9.087 -13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 143 9.732 -10.586 -13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 143 9.886 -9.626 -15.195 1.00 0.00 H new ATOM 2223 N LEU A 144 7.635 -7.349 -15.266 1.00 0.00 N ATOM 2224 CA LEU A 144 7.331 -6.401 -16.326 1.00 0.00 C ATOM 2225 C LEU A 144 6.220 -6.971 -17.210 1.00 0.00 C ATOM 2226 O LEU A 144 5.074 -7.082 -16.778 1.00 0.00 O ATOM 2227 CB LEU A 144 8.602 -6.033 -17.096 1.00 0.00 C ATOM 2228 CG LEU A 144 9.214 -7.145 -17.950 1.00 0.00 C ATOM 2229 CD1 LEU A 144 8.572 -7.187 -19.338 1.00 0.00 C ATOM 2230 CD2 LEU A 144 10.736 -7.003 -18.026 1.00 0.00 C ATOM 0 H LEU A 144 7.862 -6.925 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 144 6.958 -5.467 -15.907 1.00 0.00 H new ATOM 0 HB2 LEU A 144 8.378 -5.186 -17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.352 -5.697 -16.380 1.00 0.00 H new ATOM 0 HG LEU A 144 9.003 -8.100 -17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.025 -7.986 -19.924 1.00 0.00 H new ATOM 0 HD12 LEU A 144 7.502 -7.372 -19.239 1.00 0.00 H new ATOM 0 HD13 LEU A 144 8.730 -6.233 -19.841 1.00 0.00 H new ATOM 0 HD21 LEU A 144 11.146 -7.806 -18.639 1.00 0.00 H new ATOM 0 HD22 LEU A 144 10.990 -6.041 -18.471 1.00 0.00 H new ATOM 0 HD23 LEU A 144 11.157 -7.061 -17.022 1.00 0.00 H new TER 2242 LEU A 144