USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.0133 F(o=-1.3,f=0.91) USER MOD Set 2.2: A 70 TYR OH : rot 134:sc= 0.926 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.341 X(o=-3.8,f=-3.4) USER MOD Set 3.2: A 22 GLN : amide:sc= -3.47! C(o=-3.8!,f=-8.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.509 F(o=-4.3!,f=-0.51) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.37! C(o=-3!,f=-2.4!) USER MOD Single : A 11 MET CE :methyl -146:sc= -0.345 (180deg=-2.65!) USER MOD Single : A 12 GLN : amide:sc= 0.415 K(o=0.42,f=-7.1!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.15) USER MOD Single : A 15 THR OG1 : rot -154:sc= 1.51 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -3.12! (180deg=-6.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00714 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.858 F(o=-2.1!,f=-0.86) USER MOD Single : A 35 SER OG : rot 83:sc= 1.28 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 0.798 (180deg=0.343) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= -1.42 (180deg=-3.79!) USER MOD Single : A 42 HIS : no HD1:sc=-0.00117 K(o=-0.0012,f=-1.4) USER MOD Single : A 45 THR OG1 : rot -64:sc= -0.853 USER MOD Single : A 47 MET CE :methyl 133:sc= -0.692 (180deg=-2.68!) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 1.81 (180deg=1.61) USER MOD Single : A 52 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -29:sc= 0.113 USER MOD Single : A 66 SER OG : rot 180:sc= 0.115 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00601 F(o=-1.4,f=-0.006) USER MOD Single : A 72 MET CE :methyl -133:sc= -1.85 (180deg=-3.11) USER MOD Single : A 79 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.046) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.837 -0.432 -1.027 1.00 0.00 N ATOM 2 CA PRO A 1 1.925 -0.455 -2.027 1.00 0.00 C ATOM 3 C PRO A 1 1.913 -1.768 -2.803 1.00 0.00 C ATOM 4 O PRO A 1 1.069 -2.630 -2.557 1.00 0.00 O ATOM 5 CB PRO A 1 3.249 -0.283 -1.312 1.00 0.00 C ATOM 6 CG PRO A 1 2.933 -0.682 0.081 1.00 0.00 C ATOM 7 CD PRO A 1 1.480 -0.319 0.301 1.00 0.00 C ATOM 0 H2 PRO A 1 0.274 -1.280 -1.085 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.209 0.355 -1.193 1.00 0.00 H new ATOM 0 HA PRO A 1 1.780 0.358 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.026 -0.913 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.606 0.746 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.094 -1.750 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.577 -0.162 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.013 -0.991 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.384 0.691 0.698 1.00 0.00 H new ATOM 17 N VAL A 2 2.848 -1.923 -3.733 1.00 0.00 N ATOM 18 CA VAL A 2 2.938 -3.141 -4.526 1.00 0.00 C ATOM 19 C VAL A 2 4.338 -3.725 -4.432 1.00 0.00 C ATOM 20 O VAL A 2 5.298 -3.014 -4.125 1.00 0.00 O ATOM 21 CB VAL A 2 2.583 -2.906 -6.012 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.192 -2.309 -6.147 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.620 -2.023 -6.690 1.00 0.00 C ATOM 0 H VAL A 2 3.553 -1.221 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 2 2.209 -3.840 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 2 2.588 -3.873 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.964 -2.152 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.460 -2.991 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.153 -1.355 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.345 -1.875 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.662 -1.058 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.597 -2.503 -6.637 1.00 0.00 H new ATOM 33 N SER A 3 4.455 -5.016 -4.687 1.00 0.00 N ATOM 34 CA SER A 3 5.737 -5.682 -4.598 1.00 0.00 C ATOM 35 C SER A 3 6.449 -5.647 -5.943 1.00 0.00 C ATOM 36 O SER A 3 5.959 -6.191 -6.932 1.00 0.00 O ATOM 37 CB SER A 3 5.547 -7.120 -4.126 1.00 0.00 C ATOM 38 OG SER A 3 4.821 -7.152 -2.910 1.00 0.00 O ATOM 0 H SER A 3 3.679 -5.620 -4.956 1.00 0.00 H new ATOM 0 HA SER A 3 6.357 -5.157 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.017 -7.692 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.518 -7.595 -3.989 1.00 0.00 H new ATOM 0 HG SER A 3 4.706 -8.082 -2.622 1.00 0.00 H new ATOM 44 N ILE A 4 7.599 -5.002 -5.969 1.00 0.00 N ATOM 45 CA ILE A 4 8.357 -4.827 -7.197 1.00 0.00 C ATOM 46 C ILE A 4 9.745 -5.440 -7.066 1.00 0.00 C ATOM 47 O ILE A 4 10.356 -5.396 -6.000 1.00 0.00 O ATOM 48 CB ILE A 4 8.481 -3.336 -7.560 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.804 -2.514 -6.317 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.199 -2.835 -8.205 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.003 -1.039 -6.595 1.00 0.00 C ATOM 0 H ILE A 4 8.034 -4.586 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 4 7.817 -5.338 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 4 9.295 -3.222 -8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.996 -2.632 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.707 -2.912 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.306 -1.779 -8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.002 -3.404 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.369 -2.961 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.229 -0.520 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.830 -0.909 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.093 -0.625 -7.029 1.00 0.00 H new ATOM 63 N LYS A 5 10.239 -6.023 -8.144 1.00 0.00 N ATOM 64 CA LYS A 5 11.524 -6.703 -8.114 1.00 0.00 C ATOM 65 C LYS A 5 12.435 -6.171 -9.203 1.00 0.00 C ATOM 66 O LYS A 5 11.972 -5.740 -10.255 1.00 0.00 O ATOM 67 CB LYS A 5 11.332 -8.202 -8.311 1.00 0.00 C ATOM 68 CG LYS A 5 10.294 -8.808 -7.392 1.00 0.00 C ATOM 69 CD LYS A 5 9.726 -10.076 -7.989 1.00 0.00 C ATOM 70 CE LYS A 5 8.241 -10.169 -7.722 1.00 0.00 C ATOM 71 NZ LYS A 5 7.941 -10.438 -6.290 1.00 0.00 N ATOM 0 H LYS A 5 9.771 -6.040 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 5 11.982 -6.518 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.043 -8.390 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.285 -8.706 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.742 -9.026 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.492 -8.091 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.910 -10.093 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.233 -10.943 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.761 -9.238 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.813 -10.961 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.911 -10.493 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.376 -11.339 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.326 -9.670 -5.704 1.00 0.00 H new ATOM 85 N VAL A 6 13.726 -6.217 -8.947 1.00 0.00 N ATOM 86 CA VAL A 6 14.719 -5.790 -9.916 1.00 0.00 C ATOM 87 C VAL A 6 15.715 -6.915 -10.166 1.00 0.00 C ATOM 88 O VAL A 6 16.533 -7.235 -9.301 1.00 0.00 O ATOM 89 CB VAL A 6 15.480 -4.529 -9.445 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.468 -4.070 -10.507 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.509 -3.409 -9.097 1.00 0.00 C ATOM 0 H VAL A 6 14.117 -6.550 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 6 14.192 -5.542 -10.837 1.00 0.00 H new ATOM 0 HB VAL A 6 16.039 -4.787 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.993 -3.182 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.189 -4.864 -10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.931 -3.835 -11.426 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.067 -2.532 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.918 -3.154 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.846 -3.738 -8.297 1.00 0.00 H new ATOM 101 N GLN A 7 15.621 -7.538 -11.332 1.00 0.00 N ATOM 102 CA GLN A 7 16.549 -8.591 -11.703 1.00 0.00 C ATOM 103 C GLN A 7 17.922 -8.004 -11.963 1.00 0.00 C ATOM 104 O GLN A 7 18.144 -7.353 -12.979 1.00 0.00 O ATOM 105 CB GLN A 7 16.061 -9.337 -12.945 1.00 0.00 C ATOM 106 CG GLN A 7 15.695 -10.796 -12.698 1.00 0.00 C ATOM 107 CD GLN A 7 16.897 -11.722 -12.519 1.00 0.00 C ATOM 108 OE1 GLN A 7 17.977 -11.226 -11.931 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 16.842 -12.894 -12.896 1.00 0.00 N flip ATOM 0 H GLN A 7 14.912 -7.331 -12.035 1.00 0.00 H new ATOM 0 HA GLN A 7 16.609 -9.299 -10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.190 -8.819 -13.346 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.837 -9.294 -13.709 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.069 -10.856 -11.808 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.095 -11.155 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.997 -13.246 -13.345 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.642 -13.512 -12.759 1.00 0.00 H new ATOM 118 N VAL A 8 18.822 -8.225 -11.030 1.00 0.00 N ATOM 119 CA VAL A 8 20.184 -7.754 -11.146 1.00 0.00 C ATOM 120 C VAL A 8 20.963 -8.637 -12.114 1.00 0.00 C ATOM 121 O VAL A 8 20.895 -9.861 -12.028 1.00 0.00 O ATOM 122 CB VAL A 8 20.868 -7.762 -9.763 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.351 -7.485 -9.879 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.207 -6.752 -8.842 1.00 0.00 C ATOM 0 H VAL A 8 18.630 -8.737 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 8 20.170 -6.734 -11.529 1.00 0.00 H new ATOM 0 HB VAL A 8 20.750 -8.758 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.802 -7.498 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.817 -8.251 -10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.504 -6.507 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.700 -6.769 -7.870 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.292 -5.755 -9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.154 -7.006 -8.719 1.00 0.00 H new ATOM 134 N PRO A 9 21.689 -8.035 -13.064 1.00 0.00 N ATOM 135 CA PRO A 9 22.502 -8.787 -14.017 1.00 0.00 C ATOM 136 C PRO A 9 23.686 -9.469 -13.337 1.00 0.00 C ATOM 137 O PRO A 9 24.201 -8.986 -12.324 1.00 0.00 O ATOM 138 CB PRO A 9 22.981 -7.718 -15.005 1.00 0.00 C ATOM 139 CG PRO A 9 22.921 -6.441 -14.243 1.00 0.00 C ATOM 140 CD PRO A 9 21.771 -6.582 -13.290 1.00 0.00 C ATOM 0 HA PRO A 9 21.943 -9.592 -14.494 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.994 -7.925 -15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.343 -7.682 -15.888 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.853 -6.263 -13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.771 -5.594 -14.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.951 -6.041 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.847 -6.189 -13.714 1.00 0.00 H new ATOM 148 N ASN A 10 24.099 -10.603 -13.880 1.00 0.00 N ATOM 149 CA ASN A 10 25.240 -11.339 -13.350 1.00 0.00 C ATOM 150 C ASN A 10 26.544 -10.662 -13.756 1.00 0.00 C ATOM 151 O ASN A 10 27.121 -10.992 -14.790 1.00 0.00 O ATOM 152 CB ASN A 10 25.240 -12.785 -13.862 1.00 0.00 C ATOM 153 CG ASN A 10 24.107 -13.631 -13.314 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.378 -14.375 -12.249 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 23.002 -13.632 -13.859 1.00 0.00 N flip ATOM 0 H ASN A 10 23.660 -11.037 -14.692 1.00 0.00 H new ATOM 0 HA ASN A 10 25.158 -11.346 -12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.179 -12.775 -14.950 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.189 -13.253 -13.600 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.836 -13.045 -14.676 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.253 -14.220 -13.493 1.00 0.00 H new ATOM 162 N MET A 11 26.995 -9.695 -12.965 1.00 0.00 N ATOM 163 CA MET A 11 28.259 -9.029 -13.245 1.00 0.00 C ATOM 164 C MET A 11 29.067 -8.882 -11.969 1.00 0.00 C ATOM 165 O MET A 11 29.170 -7.801 -11.395 1.00 0.00 O ATOM 166 CB MET A 11 28.032 -7.667 -13.916 1.00 0.00 C ATOM 167 CG MET A 11 27.693 -7.779 -15.397 1.00 0.00 C ATOM 168 SD MET A 11 28.034 -6.272 -16.336 1.00 0.00 S ATOM 169 CE MET A 11 26.882 -5.120 -15.603 1.00 0.00 C ATOM 0 H MET A 11 26.509 -9.358 -12.134 1.00 0.00 H new ATOM 0 HA MET A 11 28.825 -9.646 -13.943 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.224 -7.146 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.928 -7.058 -13.800 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.261 -8.603 -15.830 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.638 -8.031 -15.501 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.528 -4.425 -16.365 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.035 -5.667 -15.188 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.379 -4.564 -14.808 1.00 0.00 H new ATOM 179 N GLN A 12 29.652 -9.995 -11.556 1.00 0.00 N ATOM 180 CA GLN A 12 30.315 -10.112 -10.267 1.00 0.00 C ATOM 181 C GLN A 12 31.704 -9.501 -10.324 1.00 0.00 C ATOM 182 O GLN A 12 32.119 -8.753 -9.440 1.00 0.00 O ATOM 183 CB GLN A 12 30.423 -11.586 -9.855 1.00 0.00 C ATOM 184 CG GLN A 12 29.156 -12.377 -10.124 1.00 0.00 C ATOM 185 CD GLN A 12 29.079 -12.889 -11.548 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.718 -12.367 -12.463 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.256 -13.872 -11.764 1.00 0.00 N ATOM 0 H GLN A 12 29.680 -10.850 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 12 29.719 -9.574 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.252 -12.047 -10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.660 -11.643 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.106 -13.221 -9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.289 -11.748 -9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.740 -14.285 -10.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.126 -14.230 -12.710 1.00 0.00 H new ATOM 196 N ASP A 13 32.410 -9.834 -11.388 1.00 0.00 N ATOM 197 CA ASP A 13 33.757 -9.338 -11.613 1.00 0.00 C ATOM 198 C ASP A 13 33.779 -8.532 -12.902 1.00 0.00 C ATOM 199 O ASP A 13 34.764 -7.876 -13.239 1.00 0.00 O ATOM 200 CB ASP A 13 34.742 -10.518 -11.667 1.00 0.00 C ATOM 201 CG ASP A 13 35.464 -10.653 -12.997 1.00 0.00 C ATOM 202 OD1 ASP A 13 34.877 -11.208 -13.949 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.630 -10.212 -13.090 1.00 0.00 O ATOM 0 H ASP A 13 32.067 -10.455 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 13 34.063 -8.687 -10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 13 35.480 -10.400 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.200 -11.441 -11.463 1.00 0.00 H new ATOM 208 N LYS A 14 32.644 -8.546 -13.591 1.00 0.00 N ATOM 209 CA LYS A 14 32.522 -7.901 -14.890 1.00 0.00 C ATOM 210 C LYS A 14 32.425 -6.393 -14.706 1.00 0.00 C ATOM 211 O LYS A 14 32.471 -5.625 -15.668 1.00 0.00 O ATOM 212 CB LYS A 14 31.284 -8.425 -15.637 1.00 0.00 C ATOM 213 CG LYS A 14 30.965 -9.898 -15.374 1.00 0.00 C ATOM 214 CD LYS A 14 32.163 -10.795 -15.629 1.00 0.00 C ATOM 215 CE LYS A 14 31.953 -12.178 -15.032 1.00 0.00 C ATOM 216 NZ LYS A 14 33.210 -12.968 -15.028 1.00 0.00 N ATOM 0 H LYS A 14 31.790 -9.001 -13.268 1.00 0.00 H new ATOM 0 HA LYS A 14 33.406 -8.134 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.421 -7.822 -15.353 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.433 -8.283 -16.707 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.635 -10.019 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.137 -10.209 -16.012 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.334 -10.882 -16.702 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.057 -10.343 -15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.580 -12.082 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.191 -12.709 -15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.091 -13.807 -14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.434 -13.268 -15.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.986 -12.383 -14.658 1.00 0.00 H new ATOM 230 N THR A 15 32.299 -5.989 -13.451 1.00 0.00 N ATOM 231 CA THR A 15 32.176 -4.593 -13.087 1.00 0.00 C ATOM 232 C THR A 15 32.452 -4.428 -11.588 1.00 0.00 C ATOM 233 O THR A 15 32.850 -5.383 -10.917 1.00 0.00 O ATOM 234 CB THR A 15 30.773 -4.050 -13.446 1.00 0.00 C ATOM 235 OG1 THR A 15 30.708 -2.635 -13.218 1.00 0.00 O ATOM 236 CG2 THR A 15 29.694 -4.753 -12.632 1.00 0.00 C ATOM 0 H THR A 15 32.280 -6.627 -12.655 1.00 0.00 H new ATOM 0 HA THR A 15 32.909 -4.016 -13.651 1.00 0.00 H new ATOM 0 HB THR A 15 30.598 -4.249 -14.503 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.780 -2.374 -13.042 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.716 -4.354 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.720 -5.823 -12.841 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.873 -4.586 -11.570 1.00 0.00 H new ATOM 244 N GLU A 16 32.231 -3.227 -11.073 1.00 0.00 N ATOM 245 CA GLU A 16 32.563 -2.900 -9.692 1.00 0.00 C ATOM 246 C GLU A 16 31.309 -2.811 -8.830 1.00 0.00 C ATOM 247 O GLU A 16 31.386 -2.542 -7.632 1.00 0.00 O ATOM 248 CB GLU A 16 33.317 -1.573 -9.656 1.00 0.00 C ATOM 249 CG GLU A 16 32.509 -0.416 -10.223 1.00 0.00 C ATOM 250 CD GLU A 16 33.366 0.771 -10.594 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.727 1.561 -9.698 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.676 0.923 -11.794 1.00 0.00 O ATOM 0 H GLU A 16 31.819 -2.455 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 16 33.191 -3.694 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.593 -1.346 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.244 -1.673 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.966 -0.756 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.764 -0.106 -9.490 1.00 0.00 H new ATOM 259 N TRP A 17 30.159 -3.043 -9.444 1.00 0.00 N ATOM 260 CA TRP A 17 28.885 -2.940 -8.742 1.00 0.00 C ATOM 261 C TRP A 17 28.563 -4.248 -8.032 1.00 0.00 C ATOM 262 O TRP A 17 29.205 -5.269 -8.274 1.00 0.00 O ATOM 263 CB TRP A 17 27.761 -2.585 -9.717 1.00 0.00 C ATOM 264 CG TRP A 17 28.083 -1.396 -10.563 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.537 -0.185 -10.134 1.00 0.00 C ATOM 266 CD2 TRP A 17 27.973 -1.306 -11.984 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.729 0.649 -11.204 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.391 -0.016 -12.353 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.572 -2.194 -12.984 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.412 0.405 -13.677 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.590 -1.774 -14.297 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.012 -0.486 -14.635 1.00 0.00 C ATOM 0 H TRP A 17 30.080 -3.304 -10.427 1.00 0.00 H new ATOM 0 HA TRP A 17 28.968 -2.146 -8.000 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.562 -3.441 -10.362 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.847 -2.389 -9.156 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.719 0.079 -9.103 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.069 1.609 -11.153 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.253 -3.195 -12.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.733 1.402 -13.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.273 -2.451 -15.076 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.023 -0.188 -15.673 1.00 0.00 H new ATOM 283 N LYS A 18 27.556 -4.216 -7.170 1.00 0.00 N ATOM 284 CA LYS A 18 27.167 -5.384 -6.387 1.00 0.00 C ATOM 285 C LYS A 18 26.291 -6.342 -7.207 1.00 0.00 C ATOM 286 O LYS A 18 25.472 -7.086 -6.667 1.00 0.00 O ATOM 287 CB LYS A 18 26.428 -4.926 -5.122 1.00 0.00 C ATOM 288 CG LYS A 18 25.046 -4.344 -5.384 1.00 0.00 C ATOM 289 CD LYS A 18 23.962 -5.301 -4.922 1.00 0.00 C ATOM 290 CE LYS A 18 22.843 -5.432 -5.939 1.00 0.00 C ATOM 291 NZ LYS A 18 21.962 -4.234 -5.939 1.00 0.00 N ATOM 0 H LYS A 18 26.989 -3.387 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 18 28.068 -5.929 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.330 -5.774 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.034 -4.178 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.943 -3.392 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.928 -4.140 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.400 -6.282 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.551 -4.952 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.268 -5.572 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.251 -6.320 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.566 -4.094 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.187 -4.373 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.515 -3.396 -5.667 1.00 0.00 H new ATOM 305 N LEU A 19 26.482 -6.350 -8.509 1.00 0.00 N ATOM 306 CA LEU A 19 25.654 -7.156 -9.386 1.00 0.00 C ATOM 307 C LEU A 19 26.150 -8.600 -9.384 1.00 0.00 C ATOM 308 O LEU A 19 27.300 -8.855 -9.698 1.00 0.00 O ATOM 309 CB LEU A 19 25.699 -6.607 -10.813 1.00 0.00 C ATOM 310 CG LEU A 19 25.550 -5.092 -10.943 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.484 -4.698 -12.402 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.318 -4.601 -10.214 1.00 0.00 C ATOM 0 H LEU A 19 27.203 -5.808 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 19 24.627 -7.121 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.646 -6.901 -11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.907 -7.083 -11.391 1.00 0.00 H new ATOM 0 HG LEU A 19 26.423 -4.625 -10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.378 -3.616 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.399 -5.011 -12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.628 -5.182 -12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.237 -3.520 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.432 -5.076 -10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.396 -4.854 -9.157 1.00 0.00 H new ATOM 324 N ASN A 20 25.297 -9.545 -9.022 1.00 0.00 N ATOM 325 CA ASN A 20 25.718 -10.945 -8.962 1.00 0.00 C ATOM 326 C ASN A 20 24.644 -11.853 -9.537 1.00 0.00 C ATOM 327 O ASN A 20 24.661 -13.062 -9.321 1.00 0.00 O ATOM 328 CB ASN A 20 26.032 -11.357 -7.518 1.00 0.00 C ATOM 329 CG ASN A 20 27.192 -10.583 -6.924 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.330 -11.055 -6.899 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.908 -9.376 -6.471 1.00 0.00 N ATOM 0 H ASN A 20 24.323 -9.378 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 20 26.623 -11.049 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.146 -11.205 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.260 -12.422 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.646 -8.791 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.950 -9.028 -6.513 1.00 0.00 H new ATOM 338 N GLY A 21 23.716 -11.264 -10.281 1.00 0.00 N ATOM 339 CA GLY A 21 22.665 -12.045 -10.905 1.00 0.00 C ATOM 340 C GLY A 21 21.451 -12.234 -10.017 1.00 0.00 C ATOM 341 O GLY A 21 20.461 -12.837 -10.435 1.00 0.00 O ATOM 0 H GLY A 21 23.672 -10.261 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.358 -11.555 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.062 -13.022 -11.179 1.00 0.00 H new ATOM 345 N GLN A 22 21.519 -11.720 -8.794 1.00 0.00 N ATOM 346 CA GLN A 22 20.422 -11.874 -7.844 1.00 0.00 C ATOM 347 C GLN A 22 19.243 -10.978 -8.210 1.00 0.00 C ATOM 348 O GLN A 22 19.290 -10.228 -9.182 1.00 0.00 O ATOM 349 CB GLN A 22 20.873 -11.564 -6.410 1.00 0.00 C ATOM 350 CG GLN A 22 21.271 -10.115 -6.180 1.00 0.00 C ATOM 351 CD GLN A 22 22.768 -9.899 -6.245 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.549 -10.783 -5.919 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.178 -8.715 -6.671 1.00 0.00 N ATOM 0 H GLN A 22 22.318 -11.195 -8.438 1.00 0.00 H new ATOM 0 HA GLN A 22 20.105 -12.916 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.066 -11.820 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.719 -12.205 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.785 -9.487 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.904 -9.793 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.496 -8.003 -6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.176 -8.514 -6.737 1.00 0.00 H new ATOM 362 N VAL A 23 18.194 -11.058 -7.413 1.00 0.00 N ATOM 363 CA VAL A 23 16.995 -10.268 -7.636 1.00 0.00 C ATOM 364 C VAL A 23 16.716 -9.380 -6.431 1.00 0.00 C ATOM 365 O VAL A 23 16.692 -9.852 -5.295 1.00 0.00 O ATOM 366 CB VAL A 23 15.761 -11.161 -7.897 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.537 -10.317 -8.221 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.036 -12.151 -9.016 1.00 0.00 C ATOM 0 H VAL A 23 18.147 -11.668 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 23 17.173 -9.655 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 23 15.556 -11.722 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.682 -10.969 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.319 -9.656 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.732 -9.721 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.153 -12.768 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.276 -11.609 -9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.877 -12.787 -8.740 1.00 0.00 H new ATOM 378 N LEU A 24 16.521 -8.097 -6.677 1.00 0.00 N ATOM 379 CA LEU A 24 16.169 -7.171 -5.616 1.00 0.00 C ATOM 380 C LEU A 24 14.661 -7.149 -5.449 1.00 0.00 C ATOM 381 O LEU A 24 13.928 -7.272 -6.428 1.00 0.00 O ATOM 382 CB LEU A 24 16.676 -5.767 -5.935 1.00 0.00 C ATOM 383 CG LEU A 24 18.188 -5.645 -6.112 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.569 -4.208 -6.428 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.910 -6.131 -4.865 1.00 0.00 C ATOM 0 H LEU A 24 16.600 -7.673 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 24 16.637 -7.502 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.191 -5.422 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.365 -5.095 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 24 18.492 -6.273 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.650 -4.137 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.077 -3.895 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.254 -3.560 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.986 -6.037 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.604 -5.529 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.658 -7.176 -4.682 1.00 0.00 H new ATOM 397 N VAL A 25 14.198 -6.995 -4.221 1.00 0.00 N ATOM 398 CA VAL A 25 12.774 -6.996 -3.945 1.00 0.00 C ATOM 399 C VAL A 25 12.415 -5.799 -3.082 1.00 0.00 C ATOM 400 O VAL A 25 12.804 -5.717 -1.914 1.00 0.00 O ATOM 401 CB VAL A 25 12.312 -8.295 -3.244 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.817 -8.250 -2.962 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.654 -9.519 -4.083 1.00 0.00 C ATOM 0 H VAL A 25 14.789 -6.868 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 25 12.259 -6.937 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 25 12.844 -8.371 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.512 -9.173 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.594 -7.402 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.273 -8.143 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.318 -10.419 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.156 -9.448 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.733 -9.568 -4.233 1.00 0.00 H new ATOM 413 N PHE A 26 11.693 -4.869 -3.673 1.00 0.00 N ATOM 414 CA PHE A 26 11.281 -3.659 -2.990 1.00 0.00 C ATOM 415 C PHE A 26 9.764 -3.573 -2.989 1.00 0.00 C ATOM 416 O PHE A 26 9.096 -4.277 -3.744 1.00 0.00 O ATOM 417 CB PHE A 26 11.867 -2.426 -3.687 1.00 0.00 C ATOM 418 CG PHE A 26 13.366 -2.310 -3.603 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.177 -2.948 -4.528 1.00 0.00 C ATOM 420 CD2 PHE A 26 13.963 -1.556 -2.605 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.553 -2.838 -4.456 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.339 -1.443 -2.528 1.00 0.00 C ATOM 423 CZ PHE A 26 16.135 -2.085 -3.456 1.00 0.00 C ATOM 0 H PHE A 26 11.375 -4.930 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 26 11.649 -3.688 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.576 -2.446 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.422 -1.532 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.729 -3.538 -5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.345 -1.050 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.173 -3.342 -5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.790 -0.854 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.210 -1.998 -3.400 1.00 0.00 H new ATOM 433 N THR A 27 9.216 -2.746 -2.126 1.00 0.00 N ATOM 434 CA THR A 27 7.786 -2.502 -2.128 1.00 0.00 C ATOM 435 C THR A 27 7.509 -1.008 -2.185 1.00 0.00 C ATOM 436 O THR A 27 7.909 -0.260 -1.295 1.00 0.00 O ATOM 437 CB THR A 27 7.111 -3.105 -0.885 1.00 0.00 C ATOM 438 OG1 THR A 27 7.609 -4.428 -0.656 1.00 0.00 O ATOM 439 CG2 THR A 27 5.600 -3.159 -1.045 1.00 0.00 C ATOM 0 H THR A 27 9.735 -2.231 -1.415 1.00 0.00 H new ATOM 0 HA THR A 27 7.369 -2.985 -3.012 1.00 0.00 H new ATOM 0 HB THR A 27 7.345 -2.465 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.177 -4.807 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.154 -3.590 -0.149 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.214 -2.151 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.347 -3.775 -1.908 1.00 0.00 H new ATOM 447 N LEU A 28 6.834 -0.583 -3.233 1.00 0.00 N ATOM 448 CA LEU A 28 6.520 0.824 -3.420 1.00 0.00 C ATOM 449 C LEU A 28 5.093 0.980 -3.907 1.00 0.00 C ATOM 450 O LEU A 28 4.560 0.091 -4.568 1.00 0.00 O ATOM 451 CB LEU A 28 7.487 1.470 -4.416 1.00 0.00 C ATOM 452 CG LEU A 28 8.914 1.665 -3.907 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.806 2.182 -5.021 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.932 2.621 -2.726 1.00 0.00 C ATOM 0 H LEU A 28 6.489 -1.193 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 28 6.627 1.329 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.520 0.855 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.087 2.441 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 28 9.297 0.700 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.820 2.316 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.817 1.464 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.423 3.137 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.957 2.748 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.531 3.587 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.321 2.215 -1.920 1.00 0.00 H new ATOM 466 N PRO A 29 4.441 2.087 -3.544 1.00 0.00 N ATOM 467 CA PRO A 29 3.102 2.396 -4.028 1.00 0.00 C ATOM 468 C PRO A 29 3.094 2.632 -5.526 1.00 0.00 C ATOM 469 O PRO A 29 4.067 3.129 -6.089 1.00 0.00 O ATOM 470 CB PRO A 29 2.716 3.675 -3.280 1.00 0.00 C ATOM 471 CG PRO A 29 4.002 4.263 -2.817 1.00 0.00 C ATOM 472 CD PRO A 29 4.957 3.118 -2.632 1.00 0.00 C ATOM 0 HA PRO A 29 2.406 1.576 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.180 4.365 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.059 3.455 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.387 4.975 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.865 4.808 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.978 3.403 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.970 2.770 -1.599 1.00 0.00 H new ATOM 480 N LEU A 30 1.985 2.288 -6.159 1.00 0.00 N ATOM 481 CA LEU A 30 1.830 2.434 -7.605 1.00 0.00 C ATOM 482 C LEU A 30 1.973 3.899 -8.026 1.00 0.00 C ATOM 483 O LEU A 30 2.155 4.209 -9.203 1.00 0.00 O ATOM 484 CB LEU A 30 0.459 1.895 -8.028 1.00 0.00 C ATOM 485 CG LEU A 30 0.232 1.764 -9.532 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.173 0.725 -10.117 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.213 1.392 -9.823 1.00 0.00 C ATOM 0 H LEU A 30 1.166 1.900 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 30 2.615 1.863 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.318 0.915 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.310 2.550 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 30 0.440 2.727 -9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.001 0.641 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.205 1.027 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.989 -0.240 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.356 1.303 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.447 0.440 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.874 2.166 -9.432 1.00 0.00 H new ATOM 499 N THR A 31 1.905 4.790 -7.046 1.00 0.00 N ATOM 500 CA THR A 31 1.971 6.217 -7.290 1.00 0.00 C ATOM 501 C THR A 31 3.400 6.679 -7.566 1.00 0.00 C ATOM 502 O THR A 31 3.606 7.735 -8.168 1.00 0.00 O ATOM 503 CB THR A 31 1.396 6.992 -6.092 1.00 0.00 C ATOM 504 OG1 THR A 31 2.164 6.710 -4.916 1.00 0.00 O ATOM 505 CG2 THR A 31 -0.052 6.602 -5.847 1.00 0.00 C ATOM 0 H THR A 31 1.803 4.540 -6.062 1.00 0.00 H new ATOM 0 HA THR A 31 1.373 6.424 -8.178 1.00 0.00 H new ATOM 0 HB THR A 31 1.444 8.057 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.794 7.207 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.440 7.161 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.645 6.831 -6.732 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.111 5.534 -5.637 1.00 0.00 H new ATOM 513 N ASP A 32 4.385 5.898 -7.130 1.00 0.00 N ATOM 514 CA ASP A 32 5.779 6.232 -7.406 1.00 0.00 C ATOM 515 C ASP A 32 6.122 5.951 -8.864 1.00 0.00 C ATOM 516 O ASP A 32 5.260 5.586 -9.668 1.00 0.00 O ATOM 517 CB ASP A 32 6.742 5.487 -6.475 1.00 0.00 C ATOM 518 CG ASP A 32 6.918 6.197 -5.148 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.738 7.136 -5.080 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.238 5.833 -4.169 1.00 0.00 O ATOM 0 H ASP A 32 4.248 5.042 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 32 5.899 7.299 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.367 4.479 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.712 5.386 -6.963 1.00 0.00 H new ATOM 525 N GLN A 33 7.385 6.114 -9.209 1.00 0.00 N ATOM 526 CA GLN A 33 7.793 6.055 -10.598 1.00 0.00 C ATOM 527 C GLN A 33 9.158 5.407 -10.756 1.00 0.00 C ATOM 528 O GLN A 33 9.834 5.105 -9.770 1.00 0.00 O ATOM 529 CB GLN A 33 7.804 7.460 -11.207 1.00 0.00 C ATOM 530 CG GLN A 33 8.589 8.491 -10.403 1.00 0.00 C ATOM 531 CD GLN A 33 7.839 9.031 -9.192 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.519 9.139 -9.290 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.451 9.367 -8.179 1.00 0.00 N flip ATOM 0 H GLN A 33 8.143 6.288 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 33 7.068 5.438 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.225 7.404 -12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.775 7.805 -11.311 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.524 8.041 -10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.852 9.323 -11.056 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.466 9.269 -8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.944 9.743 -7.378 1.00 0.00 H new ATOM 542 N VAL A 34 9.557 5.216 -12.010 1.00 0.00 N ATOM 543 CA VAL A 34 10.837 4.596 -12.344 1.00 0.00 C ATOM 544 C VAL A 34 11.994 5.389 -11.752 1.00 0.00 C ATOM 545 O VAL A 34 13.034 4.826 -11.415 1.00 0.00 O ATOM 546 CB VAL A 34 11.033 4.504 -13.874 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.319 3.776 -14.225 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.835 3.843 -14.531 1.00 0.00 C ATOM 0 H VAL A 34 9.003 5.486 -12.823 1.00 0.00 H new ATOM 0 HA VAL A 34 10.825 3.591 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 34 11.115 5.520 -14.261 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.426 3.729 -15.309 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.168 4.311 -13.799 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.287 2.765 -13.819 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.995 3.789 -15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.710 2.837 -14.131 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.939 4.428 -14.326 1.00 0.00 H new ATOM 558 N SER A 35 11.792 6.696 -11.620 1.00 0.00 N ATOM 559 CA SER A 35 12.800 7.591 -11.063 1.00 0.00 C ATOM 560 C SER A 35 13.297 7.086 -9.704 1.00 0.00 C ATOM 561 O SER A 35 14.474 7.225 -9.370 1.00 0.00 O ATOM 562 CB SER A 35 12.215 8.999 -10.925 1.00 0.00 C ATOM 563 OG SER A 35 13.229 9.960 -10.696 1.00 0.00 O ATOM 0 H SER A 35 10.928 7.163 -11.895 1.00 0.00 H new ATOM 0 HA SER A 35 13.653 7.618 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.665 9.257 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.501 9.019 -10.102 1.00 0.00 H new ATOM 0 HG SER A 35 13.625 10.228 -11.551 1.00 0.00 H new ATOM 569 N VAL A 36 12.401 6.472 -8.942 1.00 0.00 N ATOM 570 CA VAL A 36 12.735 5.947 -7.634 1.00 0.00 C ATOM 571 C VAL A 36 13.548 4.660 -7.762 1.00 0.00 C ATOM 572 O VAL A 36 14.416 4.376 -6.940 1.00 0.00 O ATOM 573 CB VAL A 36 11.453 5.671 -6.828 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.782 5.353 -5.390 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.498 6.854 -6.908 1.00 0.00 C ATOM 0 H VAL A 36 11.429 6.327 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 36 13.335 6.692 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 36 10.960 4.803 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.861 5.162 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.419 4.470 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.304 6.198 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.599 6.636 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.983 7.742 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.227 7.033 -7.948 1.00 0.00 H new ATOM 585 N ILE A 37 13.269 3.895 -8.808 1.00 0.00 N ATOM 586 CA ILE A 37 13.968 2.634 -9.039 1.00 0.00 C ATOM 587 C ILE A 37 15.404 2.889 -9.488 1.00 0.00 C ATOM 588 O ILE A 37 16.347 2.341 -8.925 1.00 0.00 O ATOM 589 CB ILE A 37 13.262 1.765 -10.106 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.750 1.701 -9.851 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.865 0.366 -10.125 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.372 1.143 -8.497 1.00 0.00 C ATOM 0 H ILE A 37 12.565 4.123 -9.510 1.00 0.00 H new ATOM 0 HA ILE A 37 13.961 2.096 -8.091 1.00 0.00 H new ATOM 0 HB ILE A 37 13.416 2.226 -11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.334 2.704 -9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.288 1.089 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.361 -0.237 -10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.927 0.431 -10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.740 -0.098 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.287 1.132 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.755 0.127 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.802 1.767 -7.713 1.00 0.00 H new ATOM 604 N LYS A 38 15.561 3.736 -10.495 1.00 0.00 N ATOM 605 CA LYS A 38 16.879 4.051 -11.037 1.00 0.00 C ATOM 606 C LYS A 38 17.805 4.617 -9.962 1.00 0.00 C ATOM 607 O LYS A 38 18.981 4.260 -9.901 1.00 0.00 O ATOM 608 CB LYS A 38 16.763 5.049 -12.187 1.00 0.00 C ATOM 609 CG LYS A 38 15.721 6.120 -11.952 1.00 0.00 C ATOM 610 CD LYS A 38 16.024 7.393 -12.713 1.00 0.00 C ATOM 611 CE LYS A 38 17.103 8.204 -12.019 1.00 0.00 C ATOM 612 NZ LYS A 38 17.137 9.608 -12.515 1.00 0.00 N ATOM 0 H LYS A 38 14.790 4.220 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 38 17.308 3.120 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.731 5.524 -12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.519 4.510 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.743 5.744 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.664 6.341 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.345 7.147 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.117 7.991 -12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.926 8.202 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.073 7.736 -12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.497 10.232 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.761 9.668 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.177 9.905 -12.781 1.00 0.00 H new ATOM 626 N VAL A 39 17.282 5.497 -9.112 1.00 0.00 N ATOM 627 CA VAL A 39 18.105 6.113 -8.082 1.00 0.00 C ATOM 628 C VAL A 39 18.477 5.100 -6.999 1.00 0.00 C ATOM 629 O VAL A 39 19.623 5.057 -6.558 1.00 0.00 O ATOM 630 CB VAL A 39 17.427 7.359 -7.449 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.139 6.999 -6.731 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.381 8.067 -6.499 1.00 0.00 C ATOM 0 H VAL A 39 16.306 5.795 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 39 19.017 6.454 -8.572 1.00 0.00 H new ATOM 0 HB VAL A 39 17.173 8.037 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.697 7.899 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.440 6.553 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.353 6.286 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.886 8.937 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.675 7.384 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.267 8.389 -7.046 1.00 0.00 H new ATOM 642 N LYS A 40 17.524 4.259 -6.603 1.00 0.00 N ATOM 643 CA LYS A 40 17.777 3.281 -5.547 1.00 0.00 C ATOM 644 C LYS A 40 18.834 2.263 -5.985 1.00 0.00 C ATOM 645 O LYS A 40 19.659 1.829 -5.184 1.00 0.00 O ATOM 646 CB LYS A 40 16.479 2.581 -5.103 1.00 0.00 C ATOM 647 CG LYS A 40 15.855 1.651 -6.121 1.00 0.00 C ATOM 648 CD LYS A 40 14.640 0.935 -5.549 1.00 0.00 C ATOM 649 CE LYS A 40 13.574 1.912 -5.058 1.00 0.00 C ATOM 650 NZ LYS A 40 13.864 2.482 -3.708 1.00 0.00 N ATOM 0 H LYS A 40 16.581 4.234 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 40 18.167 3.820 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.686 2.012 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.748 3.345 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.562 2.220 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.592 0.917 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.211 0.285 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.952 0.295 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.482 2.727 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.611 1.402 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.037 2.351 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.685 1.995 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.072 3.497 -3.797 1.00 0.00 H new ATOM 664 N ILE A 41 18.826 1.905 -7.262 1.00 0.00 N ATOM 665 CA ILE A 41 19.827 0.990 -7.800 1.00 0.00 C ATOM 666 C ILE A 41 21.193 1.666 -7.847 1.00 0.00 C ATOM 667 O ILE A 41 22.212 1.064 -7.505 1.00 0.00 O ATOM 668 CB ILE A 41 19.441 0.513 -9.211 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.089 -0.191 -9.166 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.507 -0.409 -9.787 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.483 -0.404 -10.529 1.00 0.00 C ATOM 0 H ILE A 41 18.141 2.232 -7.943 1.00 0.00 H new ATOM 0 HA ILE A 41 19.874 0.124 -7.140 1.00 0.00 H new ATOM 0 HB ILE A 41 19.367 1.383 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.206 -1.156 -8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.401 0.396 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.209 -0.731 -10.785 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.456 0.124 -9.846 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.621 -1.281 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.523 -0.909 -10.425 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.335 0.560 -11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.152 -1.017 -11.133 1.00 0.00 H new ATOM 683 N HIS A 42 21.194 2.924 -8.262 1.00 0.00 N ATOM 684 CA HIS A 42 22.409 3.735 -8.297 1.00 0.00 C ATOM 685 C HIS A 42 23.035 3.842 -6.905 1.00 0.00 C ATOM 686 O HIS A 42 24.250 3.953 -6.768 1.00 0.00 O ATOM 687 CB HIS A 42 22.099 5.131 -8.869 1.00 0.00 C ATOM 688 CG HIS A 42 23.187 6.145 -8.643 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.448 6.032 -9.188 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.200 7.285 -7.908 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.187 7.053 -8.797 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.455 7.826 -8.021 1.00 0.00 N ATOM 0 H HIS A 42 20.358 3.413 -8.583 1.00 0.00 H new ATOM 0 HA HIS A 42 23.133 3.246 -8.949 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.919 5.041 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.176 5.499 -8.420 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.376 7.691 -7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.218 7.226 -9.068 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.771 8.688 -7.576 1.00 0.00 H new ATOM 701 N GLU A 43 22.201 3.817 -5.879 1.00 0.00 N ATOM 702 CA GLU A 43 22.681 3.903 -4.504 1.00 0.00 C ATOM 703 C GLU A 43 23.156 2.541 -4.017 1.00 0.00 C ATOM 704 O GLU A 43 24.145 2.435 -3.291 1.00 0.00 O ATOM 705 CB GLU A 43 21.573 4.427 -3.588 1.00 0.00 C ATOM 706 CG GLU A 43 21.092 5.820 -3.955 1.00 0.00 C ATOM 707 CD GLU A 43 22.147 6.882 -3.737 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.171 6.873 -4.453 1.00 0.00 O ATOM 709 OE2 GLU A 43 21.951 7.738 -2.850 1.00 0.00 O ATOM 0 H GLU A 43 21.188 3.738 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 43 23.522 4.596 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.728 3.739 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.936 4.436 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.785 5.829 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.211 6.063 -3.362 1.00 0.00 H new ATOM 716 N ALA A 44 22.456 1.503 -4.444 1.00 0.00 N ATOM 717 CA ALA A 44 22.733 0.147 -3.997 1.00 0.00 C ATOM 718 C ALA A 44 23.970 -0.429 -4.680 1.00 0.00 C ATOM 719 O ALA A 44 24.852 -0.976 -4.024 1.00 0.00 O ATOM 720 CB ALA A 44 21.526 -0.735 -4.262 1.00 0.00 C ATOM 0 H ALA A 44 21.684 1.575 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 44 22.934 0.177 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.737 -1.750 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.664 -0.345 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.309 -0.744 -5.330 1.00 0.00 H new ATOM 726 N THR A 45 24.024 -0.315 -5.999 1.00 0.00 N ATOM 727 CA THR A 45 25.122 -0.886 -6.761 1.00 0.00 C ATOM 728 C THR A 45 26.187 0.168 -7.034 1.00 0.00 C ATOM 729 O THR A 45 27.381 -0.084 -6.880 1.00 0.00 O ATOM 730 CB THR A 45 24.625 -1.476 -8.102 1.00 0.00 C ATOM 731 OG1 THR A 45 24.493 -0.447 -9.090 1.00 0.00 O ATOM 732 CG2 THR A 45 23.271 -2.139 -7.924 1.00 0.00 C ATOM 0 H THR A 45 23.322 0.166 -6.561 1.00 0.00 H new ATOM 0 HA THR A 45 25.553 -1.690 -6.165 1.00 0.00 H new ATOM 0 HB THR A 45 25.360 -2.211 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.800 0.187 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.938 -2.548 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.353 -2.943 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.548 -1.402 -7.573 1.00 0.00 H new ATOM 740 N GLY A 46 25.734 1.343 -7.445 1.00 0.00 N ATOM 741 CA GLY A 46 26.635 2.425 -7.761 1.00 0.00 C ATOM 742 C GLY A 46 26.388 2.971 -9.154 1.00 0.00 C ATOM 743 O GLY A 46 26.747 4.108 -9.460 1.00 0.00 O ATOM 0 H GLY A 46 24.746 1.565 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.514 3.224 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.665 2.076 -7.684 1.00 0.00 H new ATOM 747 N MET A 47 25.736 2.168 -9.992 1.00 0.00 N ATOM 748 CA MET A 47 25.537 2.521 -11.395 1.00 0.00 C ATOM 749 C MET A 47 24.414 3.541 -11.557 1.00 0.00 C ATOM 750 O MET A 47 23.272 3.298 -11.174 1.00 0.00 O ATOM 751 CB MET A 47 25.245 1.266 -12.231 1.00 0.00 C ATOM 752 CG MET A 47 23.918 0.598 -11.901 1.00 0.00 C ATOM 753 SD MET A 47 23.848 -1.141 -12.392 1.00 0.00 S ATOM 754 CE MET A 47 23.920 -1.015 -14.177 1.00 0.00 C ATOM 0 H MET A 47 25.337 1.269 -9.723 1.00 0.00 H new ATOM 0 HA MET A 47 26.459 2.976 -11.757 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.252 1.536 -13.287 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.050 0.546 -12.081 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.739 0.673 -10.828 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.113 1.141 -12.397 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.651 -1.725 -14.563 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.940 -1.239 -14.597 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.213 -0.004 -14.459 1.00 0.00 H new ATOM 764 N PRO A 48 24.740 4.716 -12.102 1.00 0.00 N ATOM 765 CA PRO A 48 23.746 5.742 -12.396 1.00 0.00 C ATOM 766 C PRO A 48 22.808 5.317 -13.520 1.00 0.00 C ATOM 767 O PRO A 48 23.151 4.458 -14.340 1.00 0.00 O ATOM 768 CB PRO A 48 24.574 6.956 -12.822 1.00 0.00 C ATOM 769 CG PRO A 48 25.917 6.427 -13.196 1.00 0.00 C ATOM 770 CD PRO A 48 26.106 5.132 -12.454 1.00 0.00 C ATOM 0 HA PRO A 48 23.105 5.941 -11.537 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.109 7.470 -13.663 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.652 7.679 -12.010 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.982 6.267 -14.272 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.699 7.139 -12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.602 4.386 -13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.722 5.268 -11.565 1.00 0.00 H new ATOM 778 N ALA A 49 21.636 5.934 -13.561 1.00 0.00 N ATOM 779 CA ALA A 49 20.629 5.634 -14.574 1.00 0.00 C ATOM 780 C ALA A 49 21.122 5.997 -15.977 1.00 0.00 C ATOM 781 O ALA A 49 20.486 5.665 -16.978 1.00 0.00 O ATOM 782 CB ALA A 49 19.349 6.388 -14.269 1.00 0.00 C ATOM 0 H ALA A 49 21.355 6.655 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 49 20.437 4.561 -14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.602 6.159 -15.029 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.974 6.088 -13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.549 7.459 -14.268 1.00 0.00 H new ATOM 788 N GLY A 50 22.259 6.689 -16.031 1.00 0.00 N ATOM 789 CA GLY A 50 22.853 7.089 -17.293 1.00 0.00 C ATOM 790 C GLY A 50 23.176 5.914 -18.190 1.00 0.00 C ATOM 791 O GLY A 50 23.217 6.052 -19.409 1.00 0.00 O ATOM 0 H GLY A 50 22.785 6.983 -15.208 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.170 7.760 -17.814 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.766 7.652 -17.097 1.00 0.00 H new ATOM 795 N LYS A 51 23.409 4.755 -17.588 1.00 0.00 N ATOM 796 CA LYS A 51 23.745 3.555 -18.347 1.00 0.00 C ATOM 797 C LYS A 51 22.936 2.370 -17.846 1.00 0.00 C ATOM 798 O LYS A 51 22.991 1.285 -18.413 1.00 0.00 O ATOM 799 CB LYS A 51 25.242 3.220 -18.255 1.00 0.00 C ATOM 800 CG LYS A 51 26.123 4.317 -17.663 1.00 0.00 C ATOM 801 CD LYS A 51 25.954 4.433 -16.154 1.00 0.00 C ATOM 802 CE LYS A 51 26.092 3.090 -15.481 1.00 0.00 C ATOM 803 NZ LYS A 51 27.399 2.452 -15.801 1.00 0.00 N ATOM 0 H LYS A 51 23.372 4.619 -16.578 1.00 0.00 H new ATOM 0 HA LYS A 51 23.502 3.756 -19.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.359 2.319 -17.653 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.607 2.985 -19.255 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.167 4.108 -17.896 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.877 5.271 -18.130 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.700 5.120 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.976 4.857 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.000 3.211 -14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.279 2.437 -15.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.528 1.608 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.414 2.176 -16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.169 3.126 -15.616 1.00 0.00 H new ATOM 817 N GLN A 52 22.189 2.586 -16.779 1.00 0.00 N ATOM 818 CA GLN A 52 21.408 1.538 -16.165 1.00 0.00 C ATOM 819 C GLN A 52 19.985 1.576 -16.712 1.00 0.00 C ATOM 820 O GLN A 52 19.283 2.576 -16.589 1.00 0.00 O ATOM 821 CB GLN A 52 21.492 1.717 -14.641 1.00 0.00 C ATOM 822 CG GLN A 52 20.261 1.331 -13.832 1.00 0.00 C ATOM 823 CD GLN A 52 19.451 2.530 -13.384 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.432 2.872 -13.976 1.00 0.00 O ATOM 825 NE2 GLN A 52 19.953 3.228 -12.383 1.00 0.00 N ATOM 0 H GLN A 52 22.109 3.492 -16.317 1.00 0.00 H new ATOM 0 HA GLN A 52 21.794 0.547 -16.403 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.335 1.130 -14.277 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.719 2.763 -14.434 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.629 0.675 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.572 0.761 -12.956 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.802 2.911 -11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.492 4.085 -12.077 1.00 0.00 H new ATOM 834 N LYS A 53 19.606 0.512 -17.400 1.00 0.00 N ATOM 835 CA LYS A 53 18.278 0.409 -17.977 1.00 0.00 C ATOM 836 C LYS A 53 17.425 -0.555 -17.185 1.00 0.00 C ATOM 837 O LYS A 53 17.898 -1.602 -16.743 1.00 0.00 O ATOM 838 CB LYS A 53 18.357 -0.059 -19.427 1.00 0.00 C ATOM 839 CG LYS A 53 19.123 0.881 -20.343 1.00 0.00 C ATOM 840 CD LYS A 53 18.252 2.006 -20.896 1.00 0.00 C ATOM 841 CE LYS A 53 17.918 3.060 -19.846 1.00 0.00 C ATOM 842 NZ LYS A 53 17.107 4.166 -20.414 1.00 0.00 N ATOM 0 H LYS A 53 20.204 -0.296 -17.573 1.00 0.00 H new ATOM 0 HA LYS A 53 17.822 1.399 -17.944 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.829 -1.041 -19.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.345 -0.181 -19.814 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.961 1.312 -19.795 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.543 0.311 -21.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.766 2.481 -21.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.327 1.584 -21.289 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.373 2.595 -19.024 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.841 3.463 -19.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.900 4.862 -19.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.637 4.626 -21.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.215 3.785 -20.789 1.00 0.00 H new ATOM 856 N LEU A 54 16.170 -0.194 -17.015 1.00 0.00 N ATOM 857 CA LEU A 54 15.236 -1.011 -16.274 1.00 0.00 C ATOM 858 C LEU A 54 14.141 -1.496 -17.208 1.00 0.00 C ATOM 859 O LEU A 54 13.393 -0.702 -17.774 1.00 0.00 O ATOM 860 CB LEU A 54 14.640 -0.203 -15.126 1.00 0.00 C ATOM 861 CG LEU A 54 15.652 0.630 -14.339 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.964 1.403 -13.232 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.749 -0.258 -13.778 1.00 0.00 C ATOM 0 H LEU A 54 15.772 0.669 -17.385 1.00 0.00 H new ATOM 0 HA LEU A 54 15.754 -1.874 -15.857 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.875 0.462 -15.527 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.140 -0.886 -14.440 1.00 0.00 H new ATOM 0 HG LEU A 54 16.109 1.349 -15.018 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.702 1.989 -12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.218 2.071 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.476 0.706 -12.551 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.461 0.351 -13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.310 -1.003 -13.114 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.264 -0.761 -14.596 1.00 0.00 H new ATOM 875 N GLN A 55 14.066 -2.797 -17.383 1.00 0.00 N ATOM 876 CA GLN A 55 13.137 -3.387 -18.326 1.00 0.00 C ATOM 877 C GLN A 55 11.990 -4.090 -17.611 1.00 0.00 C ATOM 878 O GLN A 55 12.179 -5.115 -16.966 1.00 0.00 O ATOM 879 CB GLN A 55 13.888 -4.360 -19.229 1.00 0.00 C ATOM 880 CG GLN A 55 12.989 -5.238 -20.076 1.00 0.00 C ATOM 881 CD GLN A 55 13.761 -6.120 -21.035 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.170 -7.226 -20.686 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.941 -5.648 -22.256 1.00 0.00 N ATOM 0 H GLN A 55 14.642 -3.473 -16.881 1.00 0.00 H new ATOM 0 HA GLN A 55 12.700 -2.593 -18.932 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.548 -3.794 -19.886 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.522 -4.996 -18.612 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.382 -5.865 -19.423 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.303 -4.608 -20.642 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.585 -4.725 -22.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.436 -6.207 -22.951 1.00 0.00 H new ATOM 892 N TYR A 56 10.801 -3.541 -17.745 1.00 0.00 N ATOM 893 CA TYR A 56 9.618 -4.124 -17.139 1.00 0.00 C ATOM 894 C TYR A 56 8.816 -4.846 -18.183 1.00 0.00 C ATOM 895 O TYR A 56 8.310 -4.237 -19.120 1.00 0.00 O ATOM 896 CB TYR A 56 8.770 -3.056 -16.463 1.00 0.00 C ATOM 897 CG TYR A 56 7.414 -3.548 -15.984 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.310 -4.633 -15.124 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.240 -2.931 -16.397 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.082 -5.087 -14.688 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.007 -3.379 -15.966 1.00 0.00 C ATOM 902 CZ TYR A 56 4.933 -4.456 -15.111 1.00 0.00 C ATOM 903 OH TYR A 56 3.708 -4.905 -14.673 1.00 0.00 O ATOM 0 H TYR A 56 10.626 -2.685 -18.272 1.00 0.00 H new ATOM 0 HA TYR A 56 9.933 -4.835 -16.375 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.320 -2.656 -15.611 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.619 -2.232 -17.161 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.208 -5.131 -14.790 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.293 -2.086 -17.067 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.022 -5.933 -14.019 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.105 -2.887 -16.298 1.00 0.00 H new ATOM 0 HH TYR A 56 2.999 -4.352 -15.062 1.00 0.00 H new ATOM 913 N GLU A 57 8.743 -6.154 -18.018 1.00 0.00 N ATOM 914 CA GLU A 57 8.008 -7.019 -18.924 1.00 0.00 C ATOM 915 C GLU A 57 8.498 -6.867 -20.362 1.00 0.00 C ATOM 916 O GLU A 57 7.747 -7.075 -21.315 1.00 0.00 O ATOM 917 CB GLU A 57 6.518 -6.708 -18.824 1.00 0.00 C ATOM 918 CG GLU A 57 5.975 -6.937 -17.434 1.00 0.00 C ATOM 919 CD GLU A 57 6.176 -8.360 -16.967 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.423 -9.251 -17.415 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.100 -8.601 -16.165 1.00 0.00 O ATOM 0 H GLU A 57 9.194 -6.649 -17.248 1.00 0.00 H new ATOM 0 HA GLU A 57 8.181 -8.055 -18.633 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.346 -5.671 -19.112 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.971 -7.331 -19.532 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.465 -6.256 -16.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.912 -6.698 -17.418 1.00 0.00 H new ATOM 928 N GLY A 58 9.774 -6.532 -20.505 1.00 0.00 N ATOM 929 CA GLY A 58 10.369 -6.411 -21.820 1.00 0.00 C ATOM 930 C GLY A 58 10.392 -4.982 -22.323 1.00 0.00 C ATOM 931 O GLY A 58 10.741 -4.731 -23.471 1.00 0.00 O ATOM 0 H GLY A 58 10.409 -6.341 -19.730 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.388 -6.798 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.813 -7.031 -22.524 1.00 0.00 H new ATOM 935 N ILE A 59 10.049 -4.039 -21.455 1.00 0.00 N ATOM 936 CA ILE A 59 9.972 -2.645 -21.844 1.00 0.00 C ATOM 937 C ILE A 59 11.022 -1.843 -21.098 1.00 0.00 C ATOM 938 O ILE A 59 11.014 -1.808 -19.869 1.00 0.00 O ATOM 939 CB ILE A 59 8.579 -2.054 -21.535 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.483 -3.060 -21.897 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.384 -0.748 -22.290 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.101 -2.660 -21.423 1.00 0.00 C ATOM 0 H ILE A 59 9.820 -4.219 -20.477 1.00 0.00 H new ATOM 0 HA ILE A 59 10.147 -2.588 -22.918 1.00 0.00 H new ATOM 0 HB ILE A 59 8.513 -1.847 -20.467 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.463 -3.186 -22.979 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.737 -4.029 -21.468 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.398 -0.341 -22.064 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.150 -0.034 -21.986 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.464 -0.932 -23.361 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.380 -3.423 -21.718 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.103 -2.562 -20.337 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.824 -1.706 -21.872 1.00 0.00 H new ATOM 954 N PHE A 60 11.943 -1.233 -21.831 1.00 0.00 N ATOM 955 CA PHE A 60 12.920 -0.345 -21.217 1.00 0.00 C ATOM 956 C PHE A 60 12.232 0.909 -20.707 1.00 0.00 C ATOM 957 O PHE A 60 12.002 1.861 -21.453 1.00 0.00 O ATOM 958 CB PHE A 60 14.039 0.030 -22.193 1.00 0.00 C ATOM 959 CG PHE A 60 15.035 -1.070 -22.436 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.180 -2.109 -21.531 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.835 -1.055 -23.568 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.102 -3.114 -21.751 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.759 -2.056 -23.793 1.00 0.00 C ATOM 964 CZ PHE A 60 16.893 -3.087 -22.883 1.00 0.00 C ATOM 0 H PHE A 60 12.034 -1.335 -22.842 1.00 0.00 H new ATOM 0 HA PHE A 60 13.375 -0.877 -20.381 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.594 0.320 -23.145 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.565 0.903 -21.808 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.565 -2.134 -20.643 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.734 -0.251 -24.282 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.204 -3.920 -21.039 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.376 -2.033 -24.679 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.615 -3.871 -23.057 1.00 0.00 H new ATOM 974 N ILE A 61 11.874 0.879 -19.438 1.00 0.00 N ATOM 975 CA ILE A 61 11.177 1.991 -18.816 1.00 0.00 C ATOM 976 C ILE A 61 12.148 3.130 -18.521 1.00 0.00 C ATOM 977 O ILE A 61 13.349 2.911 -18.348 1.00 0.00 O ATOM 978 CB ILE A 61 10.454 1.549 -17.523 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.443 1.404 -16.357 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.704 0.245 -17.768 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.087 0.315 -15.363 1.00 0.00 C ATOM 0 H ILE A 61 12.055 0.093 -18.814 1.00 0.00 H new ATOM 0 HA ILE A 61 10.421 2.346 -19.517 1.00 0.00 H new ATOM 0 HB ILE A 61 9.735 2.320 -17.247 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.434 1.200 -16.761 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.504 2.355 -15.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.197 -0.061 -16.853 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.968 0.391 -18.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.410 -0.530 -18.068 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.838 0.283 -14.574 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.111 0.526 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.056 -0.648 -15.874 1.00 0.00 H new ATOM 993 N LYS A 62 11.629 4.346 -18.492 1.00 0.00 N ATOM 994 CA LYS A 62 12.459 5.521 -18.293 1.00 0.00 C ATOM 995 C LYS A 62 12.001 6.314 -17.076 1.00 0.00 C ATOM 996 O LYS A 62 10.901 6.100 -16.566 1.00 0.00 O ATOM 997 CB LYS A 62 12.407 6.395 -19.544 1.00 0.00 C ATOM 998 CG LYS A 62 11.014 6.909 -19.859 1.00 0.00 C ATOM 999 CD LYS A 62 10.832 7.116 -21.347 1.00 0.00 C ATOM 1000 CE LYS A 62 9.503 7.781 -21.656 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.345 8.058 -23.107 1.00 0.00 N ATOM 0 H LYS A 62 10.635 4.545 -18.604 1.00 0.00 H new ATOM 0 HA LYS A 62 13.485 5.199 -18.115 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.079 7.243 -19.415 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.777 5.822 -20.395 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.271 6.200 -19.494 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.843 7.849 -19.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.646 7.730 -21.733 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.887 6.155 -21.859 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.689 7.139 -21.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.426 8.714 -21.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.425 8.512 -23.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.107 8.691 -23.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.393 7.165 -23.638 1.00 0.00 H new ATOM 1015 N ASP A 63 12.842 7.252 -16.652 1.00 0.00 N ATOM 1016 CA ASP A 63 12.592 8.081 -15.466 1.00 0.00 C ATOM 1017 C ASP A 63 11.296 8.877 -15.613 1.00 0.00 C ATOM 1018 O ASP A 63 10.623 9.181 -14.628 1.00 0.00 O ATOM 1019 CB ASP A 63 13.787 9.035 -15.277 1.00 0.00 C ATOM 1020 CG ASP A 63 13.626 10.038 -14.143 1.00 0.00 C ATOM 1021 OD1 ASP A 63 12.880 11.022 -14.308 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.295 9.876 -13.098 1.00 0.00 O ATOM 0 H ASP A 63 13.723 7.464 -17.121 1.00 0.00 H new ATOM 0 HA ASP A 63 12.483 7.438 -14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.683 8.442 -15.095 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.950 9.581 -16.206 1.00 0.00 H new ATOM 1027 N SER A 64 10.940 9.171 -16.857 1.00 0.00 N ATOM 1028 CA SER A 64 9.774 9.997 -17.157 1.00 0.00 C ATOM 1029 C SER A 64 8.471 9.219 -16.952 1.00 0.00 C ATOM 1030 O SER A 64 7.383 9.798 -16.948 1.00 0.00 O ATOM 1031 CB SER A 64 9.859 10.516 -18.597 1.00 0.00 C ATOM 1032 OG SER A 64 8.828 11.446 -18.878 1.00 0.00 O ATOM 0 H SER A 64 11.446 8.847 -17.682 1.00 0.00 H new ATOM 0 HA SER A 64 9.770 10.841 -16.468 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.829 10.987 -18.758 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.793 9.678 -19.291 1.00 0.00 H new ATOM 0 HG SER A 64 8.042 11.239 -18.330 1.00 0.00 H new ATOM 1038 N ASN A 65 8.579 7.909 -16.771 1.00 0.00 N ATOM 1039 CA ASN A 65 7.407 7.072 -16.599 1.00 0.00 C ATOM 1040 C ASN A 65 7.276 6.650 -15.152 1.00 0.00 C ATOM 1041 O ASN A 65 8.196 6.835 -14.352 1.00 0.00 O ATOM 1042 CB ASN A 65 7.470 5.838 -17.494 1.00 0.00 C ATOM 1043 CG ASN A 65 7.398 6.175 -18.969 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.964 5.311 -19.790 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.827 7.189 -19.367 1.00 0.00 N flip ATOM 0 H ASN A 65 9.466 7.407 -16.740 1.00 0.00 H new ATOM 0 HA ASN A 65 6.533 7.657 -16.887 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.396 5.298 -17.295 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.649 5.168 -17.239 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.402 7.831 -18.698 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.778 7.388 -20.366 1.00 0.00 H new ATOM 1052 N SER A 66 6.151 6.059 -14.817 1.00 0.00 N ATOM 1053 CA SER A 66 5.868 5.720 -13.449 1.00 0.00 C ATOM 1054 C SER A 66 5.420 4.279 -13.350 1.00 0.00 C ATOM 1055 O SER A 66 5.254 3.596 -14.365 1.00 0.00 O ATOM 1056 CB SER A 66 4.796 6.661 -12.906 1.00 0.00 C ATOM 1057 OG SER A 66 3.591 6.535 -13.643 1.00 0.00 O ATOM 0 H SER A 66 5.418 5.804 -15.479 1.00 0.00 H new ATOM 0 HA SER A 66 6.772 5.833 -12.851 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.609 6.438 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.151 7.690 -12.955 1.00 0.00 H new ATOM 0 HG SER A 66 2.918 7.146 -13.276 1.00 0.00 H new ATOM 1063 N LEU A 67 5.229 3.820 -12.132 1.00 0.00 N ATOM 1064 CA LEU A 67 4.796 2.462 -11.898 1.00 0.00 C ATOM 1065 C LEU A 67 3.355 2.298 -12.364 1.00 0.00 C ATOM 1066 O LEU A 67 3.009 1.312 -13.016 1.00 0.00 O ATOM 1067 CB LEU A 67 4.933 2.142 -10.413 1.00 0.00 C ATOM 1068 CG LEU A 67 6.243 2.629 -9.784 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.214 2.457 -8.279 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.438 1.902 -10.377 1.00 0.00 C ATOM 0 H LEU A 67 5.368 4.372 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 67 5.417 1.767 -12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.097 2.591 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.856 1.063 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 67 6.345 3.691 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.154 2.809 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.389 3.035 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.078 1.403 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.354 2.268 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.340 0.832 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.478 2.084 -11.451 1.00 0.00 H new ATOM 1082 N ALA A 68 2.527 3.286 -12.037 1.00 0.00 N ATOM 1083 CA ALA A 68 1.139 3.319 -12.486 1.00 0.00 C ATOM 1084 C ALA A 68 1.046 3.368 -14.007 1.00 0.00 C ATOM 1085 O ALA A 68 0.143 2.779 -14.597 1.00 0.00 O ATOM 1086 CB ALA A 68 0.414 4.505 -11.874 1.00 0.00 C ATOM 0 H ALA A 68 2.797 4.081 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 68 0.659 2.399 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.620 4.516 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.434 4.422 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.907 5.429 -12.177 1.00 0.00 H new ATOM 1092 N TYR A 69 1.993 4.061 -14.634 1.00 0.00 N ATOM 1093 CA TYR A 69 2.040 4.177 -16.092 1.00 0.00 C ATOM 1094 C TYR A 69 2.105 2.796 -16.740 1.00 0.00 C ATOM 1095 O TYR A 69 1.428 2.532 -17.732 1.00 0.00 O ATOM 1096 CB TYR A 69 3.252 5.026 -16.506 1.00 0.00 C ATOM 1097 CG TYR A 69 3.494 5.116 -18.002 1.00 0.00 C ATOM 1098 CD1 TYR A 69 4.252 4.157 -18.656 1.00 0.00 C ATOM 1099 CD2 TYR A 69 2.985 6.168 -18.751 1.00 0.00 C ATOM 1100 CE1 TYR A 69 4.497 4.236 -20.010 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.223 6.254 -20.112 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.983 5.284 -20.736 1.00 0.00 C ATOM 1103 OH TYR A 69 4.231 5.363 -22.088 1.00 0.00 O ATOM 0 H TYR A 69 2.744 4.555 -14.152 1.00 0.00 H new ATOM 0 HA TYR A 69 1.130 4.668 -16.436 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.121 6.034 -16.113 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.143 4.614 -16.034 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.659 3.330 -18.093 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.395 6.931 -18.265 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.090 3.477 -20.499 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.816 7.076 -20.683 1.00 0.00 H new ATOM 0 HH TYR A 69 3.797 6.162 -22.454 1.00 0.00 H new ATOM 1113 N TYR A 70 2.911 1.914 -16.164 1.00 0.00 N ATOM 1114 CA TYR A 70 3.069 0.564 -16.693 1.00 0.00 C ATOM 1115 C TYR A 70 2.143 -0.423 -15.989 1.00 0.00 C ATOM 1116 O TYR A 70 2.142 -1.610 -16.307 1.00 0.00 O ATOM 1117 CB TYR A 70 4.519 0.103 -16.545 1.00 0.00 C ATOM 1118 CG TYR A 70 5.475 0.770 -17.503 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.623 0.302 -18.802 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.237 1.859 -17.106 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.503 0.901 -19.679 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.118 2.465 -17.978 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.247 1.983 -19.262 1.00 0.00 C ATOM 1124 OH TYR A 70 8.130 2.580 -20.132 1.00 0.00 O ATOM 0 H TYR A 70 3.466 2.108 -15.330 1.00 0.00 H new ATOM 0 HA TYR A 70 2.802 0.590 -17.749 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.849 0.297 -15.524 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.564 -0.976 -16.695 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.039 -0.545 -19.131 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.139 2.238 -16.099 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.608 0.524 -20.686 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.704 3.313 -17.655 1.00 0.00 H new ATOM 0 HH TYR A 70 8.018 3.553 -20.096 1.00 0.00 H new ATOM 1134 N ASN A 71 1.356 0.079 -15.040 1.00 0.00 N ATOM 1135 CA ASN A 71 0.454 -0.758 -14.243 1.00 0.00 C ATOM 1136 C ASN A 71 1.234 -1.831 -13.492 1.00 0.00 C ATOM 1137 O ASN A 71 0.867 -3.009 -13.511 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.634 -1.427 -15.101 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.720 -0.474 -15.577 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.348 0.741 -15.942 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -2.893 -0.845 -15.635 1.00 0.00 N flip ATOM 0 H ASN A 71 1.323 1.070 -14.801 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.037 -0.094 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.164 -1.889 -15.969 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.096 -2.228 -14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.144 -1.790 -15.345 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.614 -0.207 -15.973 1.00 0.00 H new ATOM 1148 N MET A 72 2.317 -1.420 -12.844 1.00 0.00 N ATOM 1149 CA MET A 72 3.105 -2.331 -12.026 1.00 0.00 C ATOM 1150 C MET A 72 2.342 -2.731 -10.768 1.00 0.00 C ATOM 1151 O MET A 72 2.447 -2.082 -9.728 1.00 0.00 O ATOM 1152 CB MET A 72 4.441 -1.696 -11.640 1.00 0.00 C ATOM 1153 CG MET A 72 5.359 -1.430 -12.820 1.00 0.00 C ATOM 1154 SD MET A 72 6.957 -0.774 -12.314 1.00 0.00 S ATOM 1155 CE MET A 72 7.801 -0.705 -13.887 1.00 0.00 C ATOM 0 H MET A 72 2.669 -0.463 -12.869 1.00 0.00 H new ATOM 0 HA MET A 72 3.298 -3.225 -12.618 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.249 -0.756 -11.122 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.953 -2.350 -10.934 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.509 -2.356 -13.376 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.879 -0.725 -13.499 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.797 -1.136 -13.785 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.236 -1.270 -14.628 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.886 0.333 -14.209 1.00 0.00 H new ATOM 1165 N ALA A 73 1.543 -3.778 -10.885 1.00 0.00 N ATOM 1166 CA ALA A 73 0.813 -4.318 -9.749 1.00 0.00 C ATOM 1167 C ALA A 73 1.743 -5.142 -8.864 1.00 0.00 C ATOM 1168 O ALA A 73 2.956 -5.174 -9.088 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.359 -5.160 -10.234 1.00 0.00 C ATOM 0 H ALA A 73 1.382 -4.274 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 73 0.422 -3.492 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.899 -5.560 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.030 -4.541 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.012 -5.983 -10.845 1.00 0.00 H new ATOM 1175 N ASN A 74 1.182 -5.810 -7.862 1.00 0.00 N ATOM 1176 CA ASN A 74 1.985 -6.634 -6.970 1.00 0.00 C ATOM 1177 C ASN A 74 2.621 -7.773 -7.746 1.00 0.00 C ATOM 1178 O ASN A 74 1.931 -8.637 -8.285 1.00 0.00 O ATOM 1179 CB ASN A 74 1.144 -7.188 -5.812 1.00 0.00 C ATOM 1180 CG ASN A 74 0.860 -6.147 -4.748 1.00 0.00 C ATOM 1181 OD1 ASN A 74 1.648 -5.961 -3.819 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -0.267 -5.466 -4.869 1.00 0.00 N ATOM 0 H ASN A 74 0.185 -5.797 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 74 2.768 -6.006 -6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.201 -7.569 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.666 -8.031 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.511 -4.756 -4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.893 -5.650 -5.653 1.00 0.00 H new ATOM 1189 N GLY A 75 3.941 -7.756 -7.807 1.00 0.00 N ATOM 1190 CA GLY A 75 4.660 -8.777 -8.522 1.00 0.00 C ATOM 1191 C GLY A 75 5.220 -8.266 -9.831 1.00 0.00 C ATOM 1192 O GLY A 75 5.263 -9.004 -10.817 1.00 0.00 O ATOM 0 H GLY A 75 4.528 -7.046 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.474 -9.150 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.996 -9.619 -8.716 1.00 0.00 H new ATOM 1196 N ALA A 76 5.655 -7.007 -9.851 1.00 0.00 N ATOM 1197 CA ALA A 76 6.247 -6.443 -11.055 1.00 0.00 C ATOM 1198 C ALA A 76 7.711 -6.835 -11.147 1.00 0.00 C ATOM 1199 O ALA A 76 8.519 -6.447 -10.301 1.00 0.00 O ATOM 1200 CB ALA A 76 6.103 -4.930 -11.076 1.00 0.00 C ATOM 0 H ALA A 76 5.608 -6.368 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 76 5.716 -6.844 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.554 -4.534 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.046 -4.665 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.606 -4.505 -10.208 1.00 0.00 H new ATOM 1206 N VAL A 77 8.046 -7.617 -12.158 1.00 0.00 N ATOM 1207 CA VAL A 77 9.412 -8.081 -12.332 1.00 0.00 C ATOM 1208 C VAL A 77 10.161 -7.192 -13.309 1.00 0.00 C ATOM 1209 O VAL A 77 9.944 -7.255 -14.520 1.00 0.00 O ATOM 1210 CB VAL A 77 9.463 -9.540 -12.836 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.899 -10.030 -12.954 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.665 -10.456 -11.922 1.00 0.00 C ATOM 0 H VAL A 77 7.393 -7.944 -12.870 1.00 0.00 H new ATOM 0 HA VAL A 77 9.889 -8.035 -11.353 1.00 0.00 H new ATOM 0 HB VAL A 77 9.013 -9.564 -13.828 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.904 -11.060 -13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.442 -9.399 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.381 -9.982 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.716 -11.478 -12.297 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.081 -10.418 -10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.625 -10.130 -11.897 1.00 0.00 H new ATOM 1222 N ILE A 78 11.034 -6.354 -12.781 1.00 0.00 N ATOM 1223 CA ILE A 78 11.861 -5.505 -13.621 1.00 0.00 C ATOM 1224 C ILE A 78 13.190 -6.194 -13.865 1.00 0.00 C ATOM 1225 O ILE A 78 13.649 -6.982 -13.041 1.00 0.00 O ATOM 1226 CB ILE A 78 12.125 -4.112 -12.996 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.867 -3.568 -12.316 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.599 -3.136 -14.062 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.631 -3.632 -13.171 1.00 0.00 C ATOM 0 H ILE A 78 11.189 -6.243 -11.779 1.00 0.00 H new ATOM 0 HA ILE A 78 11.319 -5.346 -14.553 1.00 0.00 H new ATOM 0 HB ILE A 78 12.904 -4.224 -12.242 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.691 -4.130 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.042 -2.532 -12.027 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.780 -2.162 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.522 -3.506 -14.509 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.835 -3.040 -14.833 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.784 -3.228 -12.617 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.785 -3.046 -14.077 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.428 -4.669 -13.439 1.00 0.00 H new ATOM 1241 N HIS A 79 13.782 -5.921 -15.005 1.00 0.00 N ATOM 1242 CA HIS A 79 15.045 -6.526 -15.380 1.00 0.00 C ATOM 1243 C HIS A 79 16.083 -5.437 -15.525 1.00 0.00 C ATOM 1244 O HIS A 79 15.958 -4.571 -16.390 1.00 0.00 O ATOM 1245 CB HIS A 79 14.917 -7.291 -16.705 1.00 0.00 C ATOM 1246 CG HIS A 79 13.887 -8.384 -16.707 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.133 -9.652 -17.185 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.591 -8.380 -16.313 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.033 -10.381 -17.084 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.083 -9.630 -16.557 1.00 0.00 N ATOM 0 H HIS A 79 13.405 -5.275 -15.699 1.00 0.00 H new ATOM 0 HA HIS A 79 15.341 -7.233 -14.605 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.674 -6.581 -17.496 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.886 -7.724 -16.953 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.056 -7.545 -15.885 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.930 -11.414 -17.382 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.128 -9.931 -16.363 1.00 0.00 H new ATOM 1259 N LEU A 80 17.081 -5.456 -14.666 1.00 0.00 N ATOM 1260 CA LEU A 80 18.152 -4.485 -14.754 1.00 0.00 C ATOM 1261 C LEU A 80 19.188 -4.959 -15.761 1.00 0.00 C ATOM 1262 O LEU A 80 19.590 -6.122 -15.748 1.00 0.00 O ATOM 1263 CB LEU A 80 18.812 -4.259 -13.392 1.00 0.00 C ATOM 1264 CG LEU A 80 20.086 -3.408 -13.426 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.802 -2.036 -14.015 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.681 -3.267 -12.039 1.00 0.00 C ATOM 0 H LEU A 80 17.173 -6.128 -13.904 1.00 0.00 H new ATOM 0 HA LEU A 80 17.728 -3.536 -15.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.090 -3.781 -12.730 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.052 -5.228 -12.955 1.00 0.00 H new ATOM 0 HG LEU A 80 20.810 -3.918 -14.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.720 -1.449 -14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.427 -2.147 -15.032 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.055 -1.526 -13.406 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.584 -2.659 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.958 -2.787 -11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.930 -4.253 -11.648 1.00 0.00 H new ATOM 1278 N ALA A 81 19.607 -4.065 -16.632 1.00 0.00 N ATOM 1279 CA ALA A 81 20.586 -4.394 -17.646 1.00 0.00 C ATOM 1280 C ALA A 81 21.380 -3.162 -18.030 1.00 0.00 C ATOM 1281 O ALA A 81 20.868 -2.040 -17.978 1.00 0.00 O ATOM 1282 CB ALA A 81 19.899 -4.989 -18.862 1.00 0.00 C ATOM 0 H ALA A 81 19.282 -3.098 -16.657 1.00 0.00 H new ATOM 0 HA ALA A 81 21.277 -5.134 -17.242 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.645 -5.233 -19.618 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.367 -5.895 -18.572 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.191 -4.267 -19.270 1.00 0.00 H new ATOM 1288 N LEU A 82 22.634 -3.362 -18.392 1.00 0.00 N ATOM 1289 CA LEU A 82 23.472 -2.256 -18.805 1.00 0.00 C ATOM 1290 C LEU A 82 23.111 -1.835 -20.224 1.00 0.00 C ATOM 1291 O LEU A 82 23.019 -2.668 -21.128 1.00 0.00 O ATOM 1292 CB LEU A 82 24.951 -2.628 -18.701 1.00 0.00 C ATOM 1293 CG LEU A 82 25.922 -1.459 -18.849 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.597 -0.372 -17.836 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.349 -1.935 -18.665 1.00 0.00 C ATOM 0 H LEU A 82 23.090 -4.274 -18.408 1.00 0.00 H new ATOM 0 HA LEU A 82 23.297 -1.412 -18.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.123 -3.104 -17.736 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.179 -3.369 -19.467 1.00 0.00 H new ATOM 0 HG LEU A 82 25.818 -1.045 -19.852 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.297 0.455 -17.953 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.581 -0.013 -18.000 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.680 -0.778 -16.828 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.031 -1.091 -18.773 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.463 -2.368 -17.671 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.581 -2.688 -19.418 1.00 0.00 H new ATOM 1307 N LYS A 83 22.879 -0.541 -20.396 1.00 0.00 N ATOM 1308 CA LYS A 83 22.439 0.019 -21.663 1.00 0.00 C ATOM 1309 C LYS A 83 23.400 -0.301 -22.806 1.00 0.00 C ATOM 1310 O LYS A 83 22.990 -0.797 -23.856 1.00 0.00 O ATOM 1311 CB LYS A 83 22.290 1.521 -21.509 1.00 0.00 C ATOM 1312 CG LYS A 83 21.749 2.224 -22.736 1.00 0.00 C ATOM 1313 CD LYS A 83 21.174 3.566 -22.352 1.00 0.00 C ATOM 1314 CE LYS A 83 22.207 4.393 -21.628 1.00 0.00 C ATOM 1315 NZ LYS A 83 23.215 4.979 -22.550 1.00 0.00 N ATOM 0 H LYS A 83 22.992 0.152 -19.656 1.00 0.00 H new ATOM 0 HA LYS A 83 21.482 -0.435 -21.921 1.00 0.00 H new ATOM 0 HB2 LYS A 83 21.628 1.724 -20.667 1.00 0.00 H new ATOM 0 HB3 LYS A 83 23.262 1.947 -21.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.544 2.357 -23.469 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.980 1.611 -23.207 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.837 4.093 -23.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.300 3.426 -21.716 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.709 5.195 -21.083 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.713 3.771 -20.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 23.902 5.538 -22.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.711 4.216 -23.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.738 5.595 -23.240 1.00 0.00 H new ATOM 1329 N GLU A 84 24.675 -0.023 -22.589 1.00 0.00 N ATOM 1330 CA GLU A 84 25.678 -0.182 -23.627 1.00 0.00 C ATOM 1331 C GLU A 84 27.015 -0.567 -23.005 1.00 0.00 C ATOM 1332 O GLU A 84 27.637 0.234 -22.303 1.00 0.00 O ATOM 1333 CB GLU A 84 25.800 1.125 -24.417 1.00 0.00 C ATOM 1334 CG GLU A 84 26.720 1.059 -25.623 1.00 0.00 C ATOM 1335 CD GLU A 84 26.680 2.339 -26.433 1.00 0.00 C ATOM 1336 OE1 GLU A 84 27.408 3.292 -26.086 1.00 0.00 O ATOM 1337 OE2 GLU A 84 25.901 2.407 -27.413 1.00 0.00 O ATOM 0 H GLU A 84 25.040 0.315 -21.699 1.00 0.00 H new ATOM 0 HA GLU A 84 25.379 -0.979 -24.308 1.00 0.00 H new ATOM 0 HB2 GLU A 84 24.807 1.424 -24.752 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.159 1.906 -23.747 1.00 0.00 H new ATOM 0 HG2 GLU A 84 27.741 0.871 -25.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.431 0.220 -26.255 1.00 0.00 H new ATOM 1344 N ARG A 85 27.444 -1.801 -23.235 1.00 0.00 N ATOM 1345 CA ARG A 85 28.702 -2.274 -22.681 1.00 0.00 C ATOM 1346 C ARG A 85 29.861 -1.869 -23.577 1.00 0.00 C ATOM 1347 O ARG A 85 30.148 -2.506 -24.589 1.00 0.00 O ATOM 1348 CB ARG A 85 28.683 -3.791 -22.470 1.00 0.00 C ATOM 1349 CG ARG A 85 29.983 -4.370 -21.908 1.00 0.00 C ATOM 1350 CD ARG A 85 30.365 -3.768 -20.556 1.00 0.00 C ATOM 1351 NE ARG A 85 30.990 -2.445 -20.679 1.00 0.00 N ATOM 1352 CZ ARG A 85 31.501 -1.756 -19.654 1.00 0.00 C ATOM 1353 NH1 ARG A 85 31.508 -2.286 -18.435 1.00 0.00 N ATOM 1354 NH2 ARG A 85 32.024 -0.547 -19.853 1.00 0.00 N ATOM 0 H ARG A 85 26.942 -2.487 -23.798 1.00 0.00 H new ATOM 0 HA ARG A 85 28.837 -1.807 -21.705 1.00 0.00 H new ATOM 0 HB2 ARG A 85 27.866 -4.041 -21.793 1.00 0.00 H new ATOM 0 HB3 ARG A 85 28.466 -4.275 -23.422 1.00 0.00 H new ATOM 0 HG2 ARG A 85 29.879 -5.450 -21.803 1.00 0.00 H new ATOM 0 HG3 ARG A 85 30.790 -4.195 -22.619 1.00 0.00 H new ATOM 0 HD2 ARG A 85 29.473 -3.687 -19.934 1.00 0.00 H new ATOM 0 HD3 ARG A 85 31.051 -4.443 -20.044 1.00 0.00 H new ATOM 0 HE ARG A 85 31.037 -2.024 -21.607 1.00 0.00 H new ATOM 0 HH11 ARG A 85 31.123 -3.218 -18.282 1.00 0.00 H new ATOM 0 HH12 ARG A 85 31.898 -1.760 -17.653 1.00 0.00 H new ATOM 0 HH21 ARG A 85 32.035 -0.144 -20.790 1.00 0.00 H new ATOM 0 HH22 ARG A 85 32.413 -0.024 -19.068 1.00 0.00 H new ATOM 1368 N GLY A 86 30.508 -0.790 -23.190 1.00 0.00 N ATOM 1369 CA GLY A 86 31.635 -0.284 -23.926 1.00 0.00 C ATOM 1370 C GLY A 86 32.028 1.073 -23.406 1.00 0.00 C ATOM 1371 O GLY A 86 31.824 1.317 -22.198 1.00 0.00 O ATOM 1372 OXT GLY A 86 32.502 1.907 -24.194 1.00 0.00 O ATOM 0 H GLY A 86 30.266 -0.246 -22.362 1.00 0.00 H new ATOM 0 HA2 GLY A 86 32.475 -0.973 -23.838 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.387 -0.218 -24.985 1.00 0.00 H new TER 1376 GLY A 86