USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot 105:sc= 0.464 USER MOD Set 1.2: A 102 HIS : no HE2:sc= 0.241 K(o=3.5,f=-1.6!) USER MOD Set 1.3: A 105 SER OG : rot -145:sc= 0.744 USER MOD Set 1.4: A 122 ASN : amide:sc= 2.08 K(o=3.5,f=-1.6) USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.04 K(o=2.3,f=-4.3!) USER MOD Set 2.2: A 119 THR OG1 : rot 81:sc= 1.3 USER MOD Set 3.1: A 82 GLN : amide:sc= 0.778 K(o=1.7,f=-1) USER MOD Set 3.2: A 84 GLN : amide:sc= 0.882 K(o=1.7,f=-0.38) USER MOD Set 4.1: A 64 MET CE :methyl -169:sc=-0.00936 (180deg=-0.043) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.1 K(o=1.1,f=-0.36) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 0.957 K(o=2.3,f=-4.5!) USER MOD Set 5.2: A 40 SER OG : rot -105:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0285 (180deg=0) USER MOD Single : A 16 SER OG : rot -21:sc= -0.0519 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 2.3 (180deg=2.17) USER MOD Single : A 29 SER OG : rot 77:sc= 0.0715 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 134:sc= 2.35 (180deg=0.619) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.373 K(o=0.37,f=-7!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.173 (180deg=0.0388) USER MOD Single : A 61 SER OG : rot 149:sc= 1.66 USER MOD Single : A 65 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 170:sc=-0.00734 USER MOD Single : A 71 CYS SG : rot -110:sc= -1.59 USER MOD Single : A 73 CYS SG : rot 132:sc= 0.59 USER MOD Single : A 80 SER OG : rot 153:sc= 1.33 USER MOD Single : A 81 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00732 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.21) USER MOD Single : A 91 TYR OH : rot 180:sc= 0.0621 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 36:sc= 1.38 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 106 THR OG1 : rot 22:sc= 0.143 USER MOD Single : A 108 LYS NZ :NH3+ 157:sc= 0.965 (180deg=0.763) USER MOD Single : A 110 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.919 -12.492 22.023 1.00 0.00 N ATOM 2 CA MET A 1 -14.676 -11.686 21.985 1.00 0.00 C ATOM 3 C MET A 1 -13.818 -12.136 20.800 1.00 0.00 C ATOM 4 O MET A 1 -13.765 -13.330 20.487 1.00 0.00 O ATOM 5 CB MET A 1 -13.867 -11.771 23.298 1.00 0.00 C ATOM 6 CG MET A 1 -14.552 -11.060 24.474 1.00 0.00 C ATOM 7 SD MET A 1 -13.584 -11.071 26.011 1.00 0.00 S ATOM 8 CE MET A 1 -14.715 -10.151 27.091 1.00 0.00 C ATOM 0 H1 MET A 1 -16.716 -11.917 21.684 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.810 -13.327 21.412 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.104 -12.799 22.999 1.00 0.00 H new ATOM 0 HA MET A 1 -14.963 -10.641 21.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.712 -12.819 23.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.882 -11.332 23.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.755 -10.027 24.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.515 -11.534 24.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.277 -10.062 28.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.884 -9.156 26.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.665 -10.681 27.159 1.00 0.00 H new ATOM 20 N ALA A 2 -13.139 -11.194 20.134 1.00 0.00 N ATOM 21 CA ALA A 2 -12.212 -11.448 19.035 1.00 0.00 C ATOM 22 C ALA A 2 -11.154 -10.343 19.023 1.00 0.00 C ATOM 23 O ALA A 2 -11.360 -9.272 19.603 1.00 0.00 O ATOM 24 CB ALA A 2 -12.975 -11.474 17.703 1.00 0.00 C ATOM 0 H ALA A 2 -13.226 -10.202 20.356 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.728 -12.415 19.170 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.277 -11.664 16.888 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.726 -12.264 17.729 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.464 -10.513 17.545 1.00 0.00 H new ATOM 30 N VAL A 3 -10.038 -10.580 18.339 1.00 0.00 N ATOM 31 CA VAL A 3 -8.921 -9.652 18.206 1.00 0.00 C ATOM 32 C VAL A 3 -8.294 -9.901 16.826 1.00 0.00 C ATOM 33 O VAL A 3 -8.356 -11.024 16.312 1.00 0.00 O ATOM 34 CB VAL A 3 -7.957 -9.840 19.407 1.00 0.00 C ATOM 35 CG1 VAL A 3 -7.435 -11.277 19.576 1.00 0.00 C ATOM 36 CG2 VAL A 3 -6.760 -8.882 19.362 1.00 0.00 C ATOM 0 H VAL A 3 -9.882 -11.458 17.843 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.221 -8.605 18.244 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.578 -9.605 20.271 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.768 -11.323 20.437 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.275 -11.953 19.731 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.891 -11.574 18.679 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.120 -9.059 20.226 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.191 -9.053 18.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.117 -7.852 19.379 1.00 0.00 H new ATOM 46 N ALA A 4 -7.746 -8.853 16.199 1.00 0.00 N ATOM 47 CA ALA A 4 -7.105 -8.966 14.892 1.00 0.00 C ATOM 48 C ALA A 4 -5.760 -9.700 15.006 1.00 0.00 C ATOM 49 O ALA A 4 -5.272 -9.984 16.102 1.00 0.00 O ATOM 50 CB ALA A 4 -6.938 -7.569 14.278 1.00 0.00 C ATOM 0 H ALA A 4 -7.736 -7.909 16.585 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.738 -9.558 14.231 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.459 -7.655 13.302 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.917 -7.103 14.162 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.319 -6.955 14.933 1.00 0.00 H new ATOM 56 N ASP A 5 -5.134 -9.958 13.860 1.00 0.00 N ATOM 57 CA ASP A 5 -3.769 -10.457 13.724 1.00 0.00 C ATOM 58 C ASP A 5 -3.263 -9.967 12.367 1.00 0.00 C ATOM 59 O ASP A 5 -4.076 -9.769 11.459 1.00 0.00 O ATOM 60 CB ASP A 5 -3.746 -11.991 13.776 1.00 0.00 C ATOM 61 CG ASP A 5 -2.317 -12.522 13.593 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.581 -12.628 14.599 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.924 -12.810 12.442 1.00 0.00 O ATOM 0 H ASP A 5 -5.588 -9.818 12.957 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.139 -10.097 14.537 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.146 -12.333 14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.392 -12.395 12.996 1.00 0.00 H new ATOM 68 N LEU A 6 -1.949 -9.772 12.205 1.00 0.00 N ATOM 69 CA LEU A 6 -1.365 -9.270 10.966 1.00 0.00 C ATOM 70 C LEU A 6 -1.790 -10.098 9.752 1.00 0.00 C ATOM 71 O LEU A 6 -2.030 -9.524 8.689 1.00 0.00 O ATOM 72 CB LEU A 6 0.171 -9.243 11.061 1.00 0.00 C ATOM 73 CG LEU A 6 0.776 -8.217 12.039 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.303 -8.279 11.939 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.320 -6.780 11.757 1.00 0.00 C ATOM 0 H LEU A 6 -1.262 -9.960 12.935 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.739 -8.255 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.513 -10.236 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.572 -9.046 10.067 1.00 0.00 H new ATOM 0 HG LEU A 6 0.429 -8.478 13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.742 -7.557 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.644 -9.281 12.198 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.611 -8.043 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.779 -6.104 12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.621 -6.494 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.765 -6.719 11.843 1.00 0.00 H new ATOM 87 N ALA A 7 -1.924 -11.421 9.888 1.00 0.00 N ATOM 88 CA ALA A 7 -2.305 -12.297 8.788 1.00 0.00 C ATOM 89 C ALA A 7 -3.714 -11.997 8.259 1.00 0.00 C ATOM 90 O ALA A 7 -4.004 -12.298 7.101 1.00 0.00 O ATOM 91 CB ALA A 7 -2.212 -13.760 9.236 1.00 0.00 C ATOM 0 H ALA A 7 -1.770 -11.911 10.769 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.610 -12.113 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.498 -14.412 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.189 -13.984 9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.883 -13.926 10.079 1.00 0.00 H new ATOM 97 N LEU A 8 -4.592 -11.420 9.089 1.00 0.00 N ATOM 98 CA LEU A 8 -5.979 -11.144 8.724 1.00 0.00 C ATOM 99 C LEU A 8 -6.107 -9.826 7.956 1.00 0.00 C ATOM 100 O LEU A 8 -7.110 -9.630 7.270 1.00 0.00 O ATOM 101 CB LEU A 8 -6.870 -11.096 9.981 1.00 0.00 C ATOM 102 CG LEU A 8 -6.900 -12.395 10.811 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.771 -12.195 12.056 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.432 -13.593 10.013 1.00 0.00 C ATOM 0 H LEU A 8 -4.354 -11.131 10.038 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.311 -11.954 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.526 -10.283 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.888 -10.854 9.677 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.871 -12.616 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.789 -13.116 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.359 -11.389 12.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.786 -11.938 11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.431 -14.481 10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.449 -13.386 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.794 -13.765 9.146 1.00 0.00 H new ATOM 116 N ILE A 9 -5.131 -8.916 8.069 1.00 0.00 N ATOM 117 CA ILE A 9 -5.195 -7.606 7.424 1.00 0.00 C ATOM 118 C ILE A 9 -5.099 -7.818 5.903 1.00 0.00 C ATOM 119 O ILE A 9 -4.148 -8.479 5.468 1.00 0.00 O ATOM 120 CB ILE A 9 -4.063 -6.666 7.915 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.927 -6.652 9.456 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.323 -5.243 7.388 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.771 -5.801 9.994 1.00 0.00 C ATOM 0 H ILE A 9 -4.279 -9.070 8.609 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.137 -7.124 7.684 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.120 -7.047 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.859 -6.285 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.797 -7.677 9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.530 -4.578 7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.341 -5.256 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.283 -4.886 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.757 -5.853 11.083 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.827 -6.178 9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.906 -4.765 9.682 1.00 0.00 H new ATOM 135 N PRO A 10 -6.012 -7.252 5.088 1.00 0.00 N ATOM 136 CA PRO A 10 -5.878 -7.217 3.636 1.00 0.00 C ATOM 137 C PRO A 10 -4.504 -6.675 3.232 1.00 0.00 C ATOM 138 O PRO A 10 -4.160 -5.536 3.567 1.00 0.00 O ATOM 139 CB PRO A 10 -7.017 -6.326 3.134 1.00 0.00 C ATOM 140 CG PRO A 10 -8.086 -6.479 4.212 1.00 0.00 C ATOM 141 CD PRO A 10 -7.263 -6.623 5.490 1.00 0.00 C ATOM 0 HA PRO A 10 -5.945 -8.212 3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.699 -5.289 3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.380 -6.650 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.746 -5.613 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.715 -7.351 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.082 -5.652 5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.788 -7.232 6.226 1.00 0.00 H new ATOM 149 N ASP A 11 -3.710 -7.499 2.548 1.00 0.00 N ATOM 150 CA ASP A 11 -2.314 -7.181 2.247 1.00 0.00 C ATOM 151 C ASP A 11 -2.204 -6.103 1.168 1.00 0.00 C ATOM 152 O ASP A 11 -1.329 -5.239 1.225 1.00 0.00 O ATOM 153 CB ASP A 11 -1.582 -8.452 1.804 1.00 0.00 C ATOM 154 CG ASP A 11 -0.066 -8.242 1.813 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.470 -7.899 2.889 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.609 -8.493 0.791 1.00 0.00 O ATOM 0 H ASP A 11 -4.015 -8.403 2.188 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.850 -6.789 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.843 -9.276 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.908 -8.734 0.803 1.00 0.00 H new ATOM 161 N VAL A 12 -3.140 -6.119 0.216 1.00 0.00 N ATOM 162 CA VAL A 12 -3.249 -5.164 -0.873 1.00 0.00 C ATOM 163 C VAL A 12 -4.744 -4.924 -1.055 1.00 0.00 C ATOM 164 O VAL A 12 -5.493 -5.873 -1.304 1.00 0.00 O ATOM 165 CB VAL A 12 -2.612 -5.731 -2.163 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.644 -4.702 -3.308 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.163 -6.193 -1.983 1.00 0.00 C ATOM 0 H VAL A 12 -3.870 -6.831 0.188 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.721 -4.236 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.221 -6.601 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.188 -5.134 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.677 -4.431 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.089 -3.811 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.784 -6.578 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.550 -5.351 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.123 -6.979 -1.229 1.00 0.00 H new ATOM 177 N ASP A 13 -5.183 -3.672 -0.959 1.00 0.00 N ATOM 178 CA ASP A 13 -6.549 -3.276 -1.290 1.00 0.00 C ATOM 179 C ASP A 13 -6.466 -1.900 -1.932 1.00 0.00 C ATOM 180 O ASP A 13 -6.119 -0.924 -1.266 1.00 0.00 O ATOM 181 CB ASP A 13 -7.456 -3.274 -0.051 1.00 0.00 C ATOM 182 CG ASP A 13 -8.880 -2.787 -0.384 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.361 -3.010 -1.517 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.555 -2.236 0.513 1.00 0.00 O ATOM 0 H ASP A 13 -4.597 -2.898 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.999 -3.991 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.504 -4.280 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.022 -2.632 0.716 1.00 0.00 H new ATOM 189 N ILE A 14 -6.686 -1.841 -3.246 1.00 0.00 N ATOM 190 CA ILE A 14 -6.438 -0.654 -4.052 1.00 0.00 C ATOM 191 C ILE A 14 -7.589 -0.424 -5.036 1.00 0.00 C ATOM 192 O ILE A 14 -8.306 -1.351 -5.422 1.00 0.00 O ATOM 193 CB ILE A 14 -5.062 -0.745 -4.771 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.972 -1.943 -5.749 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.904 -0.780 -3.753 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.692 -1.965 -6.595 1.00 0.00 C ATOM 0 H ILE A 14 -7.046 -2.629 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.394 0.212 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.969 0.159 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.034 -2.870 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.835 -1.921 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.954 -0.844 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.922 0.128 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.016 -1.649 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.706 -2.834 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.637 -1.056 -7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.823 -2.020 -5.939 1.00 0.00 H new ATOM 208 N ASP A 15 -7.712 0.827 -5.465 1.00 0.00 N ATOM 209 CA ASP A 15 -8.655 1.340 -6.461 1.00 0.00 C ATOM 210 C ASP A 15 -7.910 2.143 -7.539 1.00 0.00 C ATOM 211 O ASP A 15 -8.455 2.375 -8.619 1.00 0.00 O ATOM 212 CB ASP A 15 -9.709 2.192 -5.741 1.00 0.00 C ATOM 213 CG ASP A 15 -10.426 3.198 -6.651 1.00 0.00 C ATOM 214 OD1 ASP A 15 -11.424 2.821 -7.309 1.00 0.00 O ATOM 215 OD2 ASP A 15 -10.010 4.379 -6.643 1.00 0.00 O ATOM 0 H ASP A 15 -7.112 1.567 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.156 0.516 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.450 1.531 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.229 2.733 -4.926 1.00 0.00 H new ATOM 220 N SER A 16 -6.640 2.487 -7.294 1.00 0.00 N ATOM 221 CA SER A 16 -5.707 3.114 -8.226 1.00 0.00 C ATOM 222 C SER A 16 -5.285 2.184 -9.384 1.00 0.00 C ATOM 223 O SER A 16 -4.098 2.015 -9.659 1.00 0.00 O ATOM 224 CB SER A 16 -4.508 3.648 -7.429 1.00 0.00 C ATOM 225 OG SER A 16 -4.978 4.472 -6.377 1.00 0.00 O ATOM 0 H SER A 16 -6.214 2.323 -6.382 1.00 0.00 H new ATOM 0 HA SER A 16 -6.211 3.944 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.926 2.819 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.845 4.215 -8.083 1.00 0.00 H new ATOM 0 HG SER A 16 -5.883 4.784 -6.586 1.00 0.00 H new ATOM 231 N ASP A 17 -6.244 1.514 -10.032 1.00 0.00 N ATOM 232 CA ASP A 17 -6.017 0.786 -11.282 1.00 0.00 C ATOM 233 C ASP A 17 -5.659 1.791 -12.385 1.00 0.00 C ATOM 234 O ASP A 17 -4.799 1.520 -13.225 1.00 0.00 O ATOM 235 CB ASP A 17 -7.272 -0.001 -11.671 1.00 0.00 C ATOM 236 CG ASP A 17 -7.105 -0.653 -13.053 1.00 0.00 C ATOM 237 OD1 ASP A 17 -6.410 -1.689 -13.158 1.00 0.00 O ATOM 238 OD2 ASP A 17 -7.698 -0.155 -14.036 1.00 0.00 O ATOM 0 H ASP A 17 -7.207 1.462 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.197 0.080 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.470 -0.769 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.135 0.665 -11.681 1.00 0.00 H new ATOM 243 N GLY A 18 -6.298 2.967 -12.350 1.00 0.00 N ATOM 244 CA GLY A 18 -5.940 4.126 -13.155 1.00 0.00 C ATOM 245 C GLY A 18 -4.915 4.959 -12.380 1.00 0.00 C ATOM 246 O GLY A 18 -4.639 4.675 -11.212 1.00 0.00 O ATOM 0 H GLY A 18 -7.099 3.136 -11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.525 3.809 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.825 4.723 -13.374 1.00 0.00 H new ATOM 250 N VAL A 19 -4.337 5.976 -13.024 1.00 0.00 N ATOM 251 CA VAL A 19 -3.221 6.742 -12.473 1.00 0.00 C ATOM 252 C VAL A 19 -3.688 7.579 -11.270 1.00 0.00 C ATOM 253 O VAL A 19 -4.148 8.712 -11.430 1.00 0.00 O ATOM 254 CB VAL A 19 -2.510 7.561 -13.575 1.00 0.00 C ATOM 255 CG1 VAL A 19 -1.207 8.176 -13.040 1.00 0.00 C ATOM 256 CG2 VAL A 19 -2.149 6.689 -14.793 1.00 0.00 C ATOM 0 H VAL A 19 -4.633 6.291 -13.948 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.464 6.057 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.208 8.341 -13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.723 8.748 -13.832 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.433 8.835 -12.202 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.540 7.381 -12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.651 7.302 -15.544 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.482 5.885 -14.480 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.058 6.262 -15.217 1.00 0.00 H new ATOM 266 N PHE A 20 -3.557 7.014 -10.066 1.00 0.00 N ATOM 267 CA PHE A 20 -3.857 7.637 -8.782 1.00 0.00 C ATOM 268 C PHE A 20 -2.867 7.110 -7.734 1.00 0.00 C ATOM 269 O PHE A 20 -2.124 6.151 -7.980 1.00 0.00 O ATOM 270 CB PHE A 20 -5.307 7.356 -8.347 1.00 0.00 C ATOM 271 CG PHE A 20 -6.388 7.814 -9.310 1.00 0.00 C ATOM 272 CD1 PHE A 20 -6.740 9.176 -9.386 1.00 0.00 C ATOM 273 CD2 PHE A 20 -7.057 6.876 -10.122 1.00 0.00 C ATOM 274 CE1 PHE A 20 -7.748 9.596 -10.273 1.00 0.00 C ATOM 275 CE2 PHE A 20 -8.063 7.297 -11.009 1.00 0.00 C ATOM 276 CZ PHE A 20 -8.409 8.658 -11.085 1.00 0.00 C ATOM 0 H PHE A 20 -3.220 6.057 -9.960 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.754 8.718 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.418 6.283 -8.190 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.477 7.838 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.235 9.899 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.796 5.830 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.014 10.641 -10.330 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.570 6.575 -11.632 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.182 8.982 -11.766 1.00 0.00 H new ATOM 286 N LYS A 21 -2.829 7.773 -6.576 1.00 0.00 N ATOM 287 CA LYS A 21 -1.824 7.559 -5.541 1.00 0.00 C ATOM 288 C LYS A 21 -2.035 6.250 -4.781 1.00 0.00 C ATOM 289 O LYS A 21 -3.127 5.678 -4.778 1.00 0.00 O ATOM 290 CB LYS A 21 -1.853 8.754 -4.567 1.00 0.00 C ATOM 291 CG LYS A 21 -1.219 10.018 -5.171 1.00 0.00 C ATOM 292 CD LYS A 21 -1.244 11.198 -4.185 1.00 0.00 C ATOM 293 CE LYS A 21 -0.414 12.360 -4.749 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.489 13.582 -3.917 1.00 0.00 N ATOM 0 H LYS A 21 -3.513 8.489 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.850 7.484 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.885 8.966 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.324 8.487 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.189 9.806 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.753 10.293 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.271 11.521 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.844 10.887 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.627 12.048 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.760 12.591 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.130 14.314 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.469 13.929 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.181 13.362 -2.948 1.00 0.00 H new ATOM 308 N TYR A 22 -0.987 5.815 -4.083 1.00 0.00 N ATOM 309 CA TYR A 22 -0.981 4.726 -3.119 1.00 0.00 C ATOM 310 C TYR A 22 0.124 5.015 -2.079 1.00 0.00 C ATOM 311 O TYR A 22 1.020 5.824 -2.340 1.00 0.00 O ATOM 312 CB TYR A 22 -0.783 3.380 -3.855 1.00 0.00 C ATOM 313 CG TYR A 22 0.630 2.859 -3.762 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.647 3.452 -4.528 1.00 0.00 C ATOM 315 CD2 TYR A 22 0.947 1.933 -2.753 1.00 0.00 C ATOM 316 CE1 TYR A 22 2.990 3.182 -4.228 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.286 1.661 -2.445 1.00 0.00 C ATOM 318 CZ TYR A 22 3.309 2.312 -3.162 1.00 0.00 C ATOM 319 OH TYR A 22 4.604 2.121 -2.806 1.00 0.00 O ATOM 0 H TYR A 22 -0.066 6.242 -4.185 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.932 4.652 -2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.465 2.640 -3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.050 3.503 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.396 4.113 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.157 1.431 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.778 3.638 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.532 0.957 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 22 4.790 2.606 -1.975 1.00 0.00 H new ATOM 329 N VAL A 23 0.097 4.344 -0.926 1.00 0.00 N ATOM 330 CA VAL A 23 1.154 4.381 0.086 1.00 0.00 C ATOM 331 C VAL A 23 1.519 2.958 0.506 1.00 0.00 C ATOM 332 O VAL A 23 0.708 2.027 0.415 1.00 0.00 O ATOM 333 CB VAL A 23 0.770 5.238 1.314 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.762 6.735 0.990 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.578 4.828 1.925 1.00 0.00 C ATOM 0 H VAL A 23 -0.684 3.742 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 23 2.024 4.859 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 23 1.545 5.047 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.487 7.299 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.754 7.041 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.039 6.932 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.797 5.463 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.365 4.942 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.530 3.788 2.246 1.00 0.00 H new ATOM 345 N LEU A 24 2.748 2.820 1.006 1.00 0.00 N ATOM 346 CA LEU A 24 3.316 1.580 1.508 1.00 0.00 C ATOM 347 C LEU A 24 3.369 1.765 3.018 1.00 0.00 C ATOM 348 O LEU A 24 4.045 2.687 3.480 1.00 0.00 O ATOM 349 CB LEU A 24 4.729 1.412 0.908 1.00 0.00 C ATOM 350 CG LEU A 24 5.352 0.004 0.969 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.323 -0.627 2.361 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.659 -0.929 -0.024 1.00 0.00 C ATOM 0 H LEU A 24 3.397 3.604 1.072 1.00 0.00 H new ATOM 0 HA LEU A 24 2.743 0.692 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.692 1.721 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.399 2.102 1.421 1.00 0.00 H new ATOM 0 HG LEU A 24 6.401 0.135 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.779 -1.616 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.879 0.001 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.290 -0.717 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.111 -1.919 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.599 -0.999 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.772 -0.535 -1.034 1.00 0.00 H new ATOM 364 N ILE A 25 2.656 0.946 3.789 1.00 0.00 N ATOM 365 CA ILE A 25 2.506 1.148 5.226 1.00 0.00 C ATOM 366 C ILE A 25 3.030 -0.088 5.944 1.00 0.00 C ATOM 367 O ILE A 25 2.482 -1.184 5.812 1.00 0.00 O ATOM 368 CB ILE A 25 1.044 1.516 5.585 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.717 2.924 5.032 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.811 1.481 7.108 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.729 3.377 5.267 1.00 0.00 C ATOM 0 H ILE A 25 2.167 0.124 3.434 1.00 0.00 H new ATOM 0 HA ILE A 25 3.098 1.999 5.562 1.00 0.00 H new ATOM 0 HB ILE A 25 0.383 0.777 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.391 3.647 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.919 2.936 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.225 1.744 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.017 0.479 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.476 2.195 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.871 4.373 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.412 2.679 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.933 3.401 6.337 1.00 0.00 H new ATOM 383 N ARG A 26 4.121 0.094 6.685 1.00 0.00 N ATOM 384 CA ARG A 26 4.627 -0.893 7.622 1.00 0.00 C ATOM 385 C ARG A 26 3.614 -0.926 8.767 1.00 0.00 C ATOM 386 O ARG A 26 3.117 0.130 9.165 1.00 0.00 O ATOM 387 CB ARG A 26 6.005 -0.436 8.129 1.00 0.00 C ATOM 388 CG ARG A 26 6.784 -1.547 8.852 1.00 0.00 C ATOM 389 CD ARG A 26 7.741 -0.993 9.917 1.00 0.00 C ATOM 390 NE ARG A 26 8.694 0.008 9.407 1.00 0.00 N ATOM 391 CZ ARG A 26 9.926 -0.207 8.937 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.391 -1.438 8.729 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.674 0.856 8.681 1.00 0.00 N ATOM 0 H ARG A 26 4.682 0.945 6.647 1.00 0.00 H new ATOM 0 HA ARG A 26 4.746 -1.880 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.595 -0.078 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.874 0.407 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.080 -2.234 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.352 -2.123 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.155 -0.545 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.299 -1.821 10.354 1.00 0.00 H new ATOM 0 HE ARG A 26 8.377 0.977 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.802 -2.246 8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.336 -1.572 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.303 1.792 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.621 0.738 8.321 1.00 0.00 H new ATOM 407 N VAL A 27 3.341 -2.098 9.322 1.00 0.00 N ATOM 408 CA VAL A 27 2.407 -2.296 10.415 1.00 0.00 C ATOM 409 C VAL A 27 3.012 -3.342 11.357 1.00 0.00 C ATOM 410 O VAL A 27 3.735 -4.237 10.911 1.00 0.00 O ATOM 411 CB VAL A 27 1.009 -2.639 9.841 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.991 -3.839 8.879 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.023 -2.873 10.950 1.00 0.00 C ATOM 0 H VAL A 27 3.780 -2.965 9.011 1.00 0.00 H new ATOM 0 HA VAL A 27 2.247 -1.397 11.011 1.00 0.00 H new ATOM 0 HB VAL A 27 0.740 -1.757 9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.027 -4.007 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.641 -3.633 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.346 -4.728 9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.989 -3.111 10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.300 -3.703 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.115 -1.972 11.557 1.00 0.00 H new ATOM 423 N HIS A 28 2.738 -3.230 12.656 1.00 0.00 N ATOM 424 CA HIS A 28 3.314 -4.063 13.706 1.00 0.00 C ATOM 425 C HIS A 28 2.193 -4.760 14.470 1.00 0.00 C ATOM 426 O HIS A 28 1.090 -4.213 14.588 1.00 0.00 O ATOM 427 CB HIS A 28 4.102 -3.184 14.687 1.00 0.00 C ATOM 428 CG HIS A 28 5.207 -2.377 14.059 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.418 -2.859 13.621 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.219 -1.020 13.872 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.152 -1.816 13.203 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.462 -0.667 13.329 1.00 0.00 N ATOM 0 H HIS A 28 2.087 -2.533 13.017 1.00 0.00 H new ATOM 0 HA HIS A 28 3.977 -4.801 13.254 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.409 -2.503 15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.530 -3.821 15.461 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.412 -0.341 14.103 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.159 -1.889 12.818 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.779 0.270 13.080 1.00 0.00 H new ATOM 440 N SER A 29 2.485 -5.935 15.029 1.00 0.00 N ATOM 441 CA SER A 29 1.593 -6.657 15.921 1.00 0.00 C ATOM 442 C SER A 29 1.317 -5.847 17.195 1.00 0.00 C ATOM 443 O SER A 29 2.067 -5.917 18.170 1.00 0.00 O ATOM 444 CB SER A 29 2.180 -8.031 16.259 1.00 0.00 C ATOM 445 OG SER A 29 2.351 -8.804 15.086 1.00 0.00 O ATOM 0 H SER A 29 3.369 -6.417 14.867 1.00 0.00 H new ATOM 0 HA SER A 29 0.641 -6.806 15.412 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.139 -7.908 16.763 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.520 -8.553 16.952 1.00 0.00 H new ATOM 0 HG SER A 29 3.145 -8.494 14.603 1.00 0.00 H new ATOM 451 N ALA A 30 0.229 -5.077 17.176 1.00 0.00 N ATOM 452 CA ALA A 30 -0.345 -4.399 18.328 1.00 0.00 C ATOM 453 C ALA A 30 -1.895 -4.448 18.382 1.00 0.00 C ATOM 454 O ALA A 30 -2.456 -3.551 19.009 1.00 0.00 O ATOM 455 CB ALA A 30 0.203 -2.961 18.374 1.00 0.00 C ATOM 0 H ALA A 30 -0.295 -4.904 16.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.039 -4.937 19.225 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.218 -2.438 19.233 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.289 -2.988 18.462 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.073 -2.437 17.459 1.00 0.00 H new ATOM 461 N PRO A 31 -2.642 -5.407 17.775 1.00 0.00 N ATOM 462 CA PRO A 31 -4.089 -5.508 17.987 1.00 0.00 C ATOM 463 C PRO A 31 -4.507 -5.361 19.458 1.00 0.00 C ATOM 464 O PRO A 31 -3.855 -5.911 20.352 1.00 0.00 O ATOM 465 CB PRO A 31 -4.505 -6.877 17.452 1.00 0.00 C ATOM 466 CG PRO A 31 -3.493 -7.155 16.352 1.00 0.00 C ATOM 467 CD PRO A 31 -2.230 -6.459 16.847 1.00 0.00 C ATOM 0 HA PRO A 31 -4.585 -4.688 17.468 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.470 -7.639 18.231 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.524 -6.863 17.065 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.334 -8.224 16.214 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.822 -6.755 15.393 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.570 -7.170 17.343 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.673 -6.036 16.011 1.00 0.00 H new ATOM 475 N ARG A 32 -5.590 -4.610 19.700 1.00 0.00 N ATOM 476 CA ARG A 32 -6.090 -4.182 21.018 1.00 0.00 C ATOM 477 C ARG A 32 -4.997 -3.685 21.986 1.00 0.00 C ATOM 478 O ARG A 32 -5.200 -3.712 23.201 1.00 0.00 O ATOM 479 CB ARG A 32 -6.973 -5.289 21.635 1.00 0.00 C ATOM 480 CG ARG A 32 -8.271 -5.530 20.849 1.00 0.00 C ATOM 481 CD ARG A 32 -9.152 -6.539 21.601 1.00 0.00 C ATOM 482 NE ARG A 32 -10.368 -6.895 20.850 1.00 0.00 N ATOM 483 CZ ARG A 32 -11.474 -6.158 20.696 1.00 0.00 C ATOM 484 NH1 ARG A 32 -11.583 -4.947 21.238 1.00 0.00 N ATOM 485 NH2 ARG A 32 -12.473 -6.666 19.986 1.00 0.00 N ATOM 0 H ARG A 32 -6.175 -4.264 18.940 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.705 -3.298 20.847 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.404 -6.218 21.679 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.221 -5.018 22.661 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.808 -4.591 20.718 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.040 -5.906 19.853 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.575 -7.442 21.801 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.435 -6.121 22.567 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.367 -7.808 20.395 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.813 -4.562 21.785 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.437 -4.404 21.106 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.385 -7.595 19.575 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.329 -6.127 19.852 1.00 0.00 H new ATOM 499 N SER A 33 -3.846 -3.239 21.476 1.00 0.00 N ATOM 500 CA SER A 33 -2.656 -2.906 22.253 1.00 0.00 C ATOM 501 C SER A 33 -2.262 -4.029 23.236 1.00 0.00 C ATOM 502 O SER A 33 -1.720 -3.747 24.307 1.00 0.00 O ATOM 503 CB SER A 33 -2.844 -1.532 22.922 1.00 0.00 C ATOM 504 OG SER A 33 -3.296 -0.560 21.986 1.00 0.00 O ATOM 0 H SER A 33 -3.716 -3.096 20.475 1.00 0.00 H new ATOM 0 HA SER A 33 -1.803 -2.827 21.579 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.563 -1.617 23.737 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.901 -1.207 23.361 1.00 0.00 H new ATOM 0 HG SER A 33 -3.408 0.302 22.438 1.00 0.00 H new ATOM 510 N GLY A 34 -2.546 -5.298 22.902 1.00 0.00 N ATOM 511 CA GLY A 34 -2.395 -6.415 23.832 1.00 0.00 C ATOM 512 C GLY A 34 -2.157 -7.775 23.172 1.00 0.00 C ATOM 513 O GLY A 34 -2.052 -8.770 23.892 1.00 0.00 O ATOM 0 H GLY A 34 -2.886 -5.572 21.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.562 -6.201 24.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.291 -6.479 24.449 1.00 0.00 H new ATOM 517 N ALA A 35 -2.058 -7.851 21.838 1.00 0.00 N ATOM 518 CA ALA A 35 -1.669 -9.080 21.147 1.00 0.00 C ATOM 519 C ALA A 35 -0.295 -9.570 21.652 1.00 0.00 C ATOM 520 O ALA A 35 0.595 -8.740 21.863 1.00 0.00 O ATOM 521 CB ALA A 35 -1.621 -8.830 19.637 1.00 0.00 C ATOM 0 H ALA A 35 -2.245 -7.066 21.214 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.408 -9.853 21.357 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.331 -9.748 19.125 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.605 -8.516 19.289 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.893 -8.048 19.421 1.00 0.00 H new ATOM 527 N PRO A 36 -0.085 -10.891 21.819 1.00 0.00 N ATOM 528 CA PRO A 36 1.178 -11.434 22.316 1.00 0.00 C ATOM 529 C PRO A 36 2.285 -11.445 21.251 1.00 0.00 C ATOM 530 O PRO A 36 3.468 -11.469 21.601 1.00 0.00 O ATOM 531 CB PRO A 36 0.841 -12.854 22.783 1.00 0.00 C ATOM 532 CG PRO A 36 -0.316 -13.265 21.874 1.00 0.00 C ATOM 533 CD PRO A 36 -1.071 -11.953 21.662 1.00 0.00 C ATOM 0 HA PRO A 36 1.578 -10.814 23.119 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.694 -13.525 22.675 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.552 -12.873 23.834 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.040 -13.682 20.932 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.946 -14.022 22.340 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.525 -11.920 20.672 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.878 -11.846 22.387 1.00 0.00 H new ATOM 541 N ALA A 37 1.919 -11.447 19.965 1.00 0.00 N ATOM 542 CA ALA A 37 2.863 -11.409 18.852 1.00 0.00 C ATOM 543 C ALA A 37 3.610 -10.067 18.823 1.00 0.00 C ATOM 544 O ALA A 37 3.104 -9.056 19.316 1.00 0.00 O ATOM 545 CB ALA A 37 2.106 -11.646 17.539 1.00 0.00 C ATOM 0 H ALA A 37 0.944 -11.476 19.668 1.00 0.00 H new ATOM 0 HA ALA A 37 3.606 -12.196 18.980 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.807 -11.618 16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.618 -12.620 17.571 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.354 -10.868 17.407 1.00 0.00 H new ATOM 551 N ALA A 38 4.784 -10.049 18.185 1.00 0.00 N ATOM 552 CA ALA A 38 5.621 -8.860 18.007 1.00 0.00 C ATOM 553 C ALA A 38 6.269 -8.852 16.615 1.00 0.00 C ATOM 554 O ALA A 38 7.367 -8.321 16.426 1.00 0.00 O ATOM 555 CB ALA A 38 6.651 -8.786 19.142 1.00 0.00 C ATOM 0 H ALA A 38 5.190 -10.886 17.766 1.00 0.00 H new ATOM 0 HA ALA A 38 5.004 -7.963 18.061 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.274 -7.902 19.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.134 -8.726 20.100 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.278 -9.678 19.123 1.00 0.00 H new ATOM 561 N GLU A 39 5.606 -9.489 15.651 1.00 0.00 N ATOM 562 CA GLU A 39 6.004 -9.475 14.251 1.00 0.00 C ATOM 563 C GLU A 39 5.617 -8.130 13.605 1.00 0.00 C ATOM 564 O GLU A 39 4.999 -7.263 14.238 1.00 0.00 O ATOM 565 CB GLU A 39 5.372 -10.678 13.521 1.00 0.00 C ATOM 566 CG GLU A 39 5.884 -12.025 14.060 1.00 0.00 C ATOM 567 CD GLU A 39 5.343 -13.212 13.244 1.00 0.00 C ATOM 568 OE1 GLU A 39 5.982 -13.611 12.243 1.00 0.00 O ATOM 569 OE2 GLU A 39 4.289 -13.782 13.608 1.00 0.00 O ATOM 0 H GLU A 39 4.764 -10.037 15.827 1.00 0.00 H new ATOM 0 HA GLU A 39 7.087 -9.571 14.170 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.288 -10.636 13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.591 -10.609 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.974 -12.035 14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.587 -12.136 15.103 1.00 0.00 H new ATOM 576 N SER A 40 5.966 -7.971 12.325 1.00 0.00 N ATOM 577 CA SER A 40 5.639 -6.811 11.505 1.00 0.00 C ATOM 578 C SER A 40 5.310 -7.282 10.081 1.00 0.00 C ATOM 579 O SER A 40 5.655 -8.401 9.687 1.00 0.00 O ATOM 580 CB SER A 40 6.803 -5.810 11.492 1.00 0.00 C ATOM 581 OG SER A 40 7.269 -5.493 12.798 1.00 0.00 O ATOM 0 H SER A 40 6.503 -8.674 11.817 1.00 0.00 H new ATOM 0 HA SER A 40 4.772 -6.302 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.625 -6.223 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.485 -4.895 10.992 1.00 0.00 H new ATOM 0 HG SER A 40 6.964 -4.595 13.045 1.00 0.00 H new ATOM 587 N LYS A 41 4.625 -6.432 9.320 1.00 0.00 N ATOM 588 CA LYS A 41 4.095 -6.682 7.981 1.00 0.00 C ATOM 589 C LYS A 41 4.128 -5.351 7.228 1.00 0.00 C ATOM 590 O LYS A 41 4.260 -4.294 7.844 1.00 0.00 O ATOM 591 CB LYS A 41 2.672 -7.267 8.142 1.00 0.00 C ATOM 592 CG LYS A 41 1.758 -7.238 6.905 1.00 0.00 C ATOM 593 CD LYS A 41 0.437 -7.952 7.192 1.00 0.00 C ATOM 594 CE LYS A 41 -0.459 -7.992 5.947 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.451 -9.094 6.000 1.00 0.00 N ATOM 0 H LYS A 41 4.411 -5.488 9.643 1.00 0.00 H new ATOM 0 HA LYS A 41 4.677 -7.403 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.767 -8.303 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.172 -6.725 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.563 -6.206 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.260 -7.716 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.637 -8.968 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.085 -7.443 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.982 -7.041 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.162 -8.108 5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.386 -8.733 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.164 -9.851 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.499 -9.471 6.968 1.00 0.00 H new ATOM 609 N GLU A 42 3.968 -5.379 5.908 1.00 0.00 N ATOM 610 CA GLU A 42 3.764 -4.187 5.101 1.00 0.00 C ATOM 611 C GLU A 42 2.483 -4.410 4.299 1.00 0.00 C ATOM 612 O GLU A 42 2.335 -5.464 3.681 1.00 0.00 O ATOM 613 CB GLU A 42 4.959 -3.938 4.166 1.00 0.00 C ATOM 614 CG GLU A 42 6.286 -3.593 4.865 1.00 0.00 C ATOM 615 CD GLU A 42 7.013 -4.811 5.472 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.274 -5.800 4.750 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.386 -4.768 6.666 1.00 0.00 O ATOM 0 H GLU A 42 3.977 -6.242 5.365 1.00 0.00 H new ATOM 0 HA GLU A 42 3.677 -3.305 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.111 -4.827 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.704 -3.124 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.948 -3.109 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.090 -2.869 5.656 1.00 0.00 H new ATOM 624 N ILE A 43 1.577 -3.433 4.303 1.00 0.00 N ATOM 625 CA ILE A 43 0.353 -3.409 3.503 1.00 0.00 C ATOM 626 C ILE A 43 0.420 -2.296 2.448 1.00 0.00 C ATOM 627 O ILE A 43 1.193 -1.340 2.578 1.00 0.00 O ATOM 628 CB ILE A 43 -0.907 -3.306 4.401 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.959 -2.016 5.256 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.002 -4.567 5.272 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.259 -1.833 6.057 1.00 0.00 C ATOM 0 H ILE A 43 1.680 -2.603 4.887 1.00 0.00 H new ATOM 0 HA ILE A 43 0.270 -4.355 2.968 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.776 -3.240 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.118 -2.021 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.827 -1.155 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.885 -4.504 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.077 -5.446 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.111 -4.647 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.208 -0.905 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.106 -1.793 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.386 -2.672 6.742 1.00 0.00 H new ATOM 643 N VAL A 44 -0.405 -2.424 1.407 1.00 0.00 N ATOM 644 CA VAL A 44 -0.420 -1.563 0.229 1.00 0.00 C ATOM 645 C VAL A 44 -1.856 -1.057 0.073 1.00 0.00 C ATOM 646 O VAL A 44 -2.772 -1.875 -0.051 1.00 0.00 O ATOM 647 CB VAL A 44 0.024 -2.385 -1.008 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.195 -1.511 -2.255 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.333 -3.164 -0.795 1.00 0.00 C ATOM 0 H VAL A 44 -1.108 -3.161 1.363 1.00 0.00 H new ATOM 0 HA VAL A 44 0.264 -0.720 0.328 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.787 -3.098 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.507 -2.132 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.752 -1.028 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.953 -0.751 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.580 -3.715 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.138 -2.466 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.210 -3.863 0.032 1.00 0.00 H new ATOM 659 N ARG A 45 -2.075 0.264 0.079 1.00 0.00 N ATOM 660 CA ARG A 45 -3.408 0.865 -0.076 1.00 0.00 C ATOM 661 C ARG A 45 -3.290 2.086 -0.977 1.00 0.00 C ATOM 662 O ARG A 45 -2.270 2.772 -0.925 1.00 0.00 O ATOM 663 CB ARG A 45 -3.991 1.287 1.290 1.00 0.00 C ATOM 664 CG ARG A 45 -4.173 0.165 2.329 1.00 0.00 C ATOM 665 CD ARG A 45 -5.122 -0.962 1.899 1.00 0.00 C ATOM 666 NE ARG A 45 -5.054 -2.111 2.820 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.745 -2.259 3.957 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.609 -1.330 4.362 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.556 -3.347 4.693 1.00 0.00 N ATOM 0 H ARG A 45 -1.329 0.950 0.192 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.079 0.127 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.340 2.049 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.960 1.755 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.197 -0.266 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.547 0.603 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.144 -0.584 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.867 -1.288 0.891 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.418 -2.867 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.753 -0.489 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.127 -1.459 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.891 -4.058 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.076 -3.472 5.561 1.00 0.00 H new ATOM 683 N GLY A 46 -4.312 2.386 -1.776 1.00 0.00 N ATOM 684 CA GLY A 46 -4.303 3.526 -2.683 1.00 0.00 C ATOM 685 C GLY A 46 -5.597 3.596 -3.463 1.00 0.00 C ATOM 686 O GLY A 46 -6.080 2.564 -3.934 1.00 0.00 O ATOM 0 H GLY A 46 -5.173 1.840 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.163 4.447 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.461 3.444 -3.371 1.00 0.00 H new ATOM 690 N TYR A 47 -6.166 4.796 -3.581 1.00 0.00 N ATOM 691 CA TYR A 47 -7.492 4.994 -4.153 1.00 0.00 C ATOM 692 C TYR A 47 -7.576 6.400 -4.737 1.00 0.00 C ATOM 693 O TYR A 47 -6.889 7.309 -4.260 1.00 0.00 O ATOM 694 CB TYR A 47 -8.582 4.842 -3.072 1.00 0.00 C ATOM 695 CG TYR A 47 -8.405 3.726 -2.050 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.516 3.925 -0.977 1.00 0.00 C ATOM 697 CD2 TYR A 47 -9.162 2.539 -2.111 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.389 2.963 0.037 1.00 0.00 C ATOM 699 CE2 TYR A 47 -9.028 1.560 -1.109 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.156 1.779 -0.019 1.00 0.00 C ATOM 701 OH TYR A 47 -8.103 0.882 1.003 1.00 0.00 O ATOM 0 H TYR A 47 -5.715 5.660 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.653 4.244 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.654 5.786 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.537 4.689 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.925 4.828 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.848 2.380 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.707 3.128 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.592 0.641 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.692 0.125 0.804 1.00 0.00 H new ATOM 711 N LYS A 48 -8.470 6.613 -5.709 1.00 0.00 N ATOM 712 CA LYS A 48 -8.631 7.912 -6.362 1.00 0.00 C ATOM 713 C LYS A 48 -9.004 9.037 -5.395 1.00 0.00 C ATOM 714 O LYS A 48 -8.637 10.184 -5.648 1.00 0.00 O ATOM 715 CB LYS A 48 -9.623 7.804 -7.534 1.00 0.00 C ATOM 716 CG LYS A 48 -11.093 7.620 -7.110 1.00 0.00 C ATOM 717 CD LYS A 48 -12.025 7.342 -8.299 1.00 0.00 C ATOM 718 CE LYS A 48 -11.741 5.974 -8.938 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.708 5.642 -10.014 1.00 0.00 N ATOM 0 H LYS A 48 -9.099 5.892 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.655 8.191 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.544 8.703 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.332 6.964 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.161 6.796 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.432 8.517 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.062 7.379 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.903 8.125 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.731 5.969 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.777 5.202 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.476 4.711 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.671 5.619 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.656 6.363 -10.762 1.00 0.00 H new ATOM 733 N TRP A 49 -9.716 8.737 -4.300 1.00 0.00 N ATOM 734 CA TRP A 49 -10.119 9.758 -3.337 1.00 0.00 C ATOM 735 C TRP A 49 -8.926 10.337 -2.565 1.00 0.00 C ATOM 736 O TRP A 49 -9.015 11.471 -2.091 1.00 0.00 O ATOM 737 CB TRP A 49 -11.234 9.243 -2.409 1.00 0.00 C ATOM 738 CG TRP A 49 -11.129 7.855 -1.835 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.900 6.806 -2.202 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.278 7.347 -0.757 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.600 5.703 -1.431 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.607 5.978 -0.516 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.259 7.899 0.045 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.951 5.204 0.455 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.557 7.118 0.981 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.888 5.766 1.181 1.00 0.00 C ATOM 0 H TRP A 49 -10.022 7.793 -4.063 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.536 10.591 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.313 9.939 -1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.172 9.300 -2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.643 6.829 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.057 4.796 -1.526 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.012 8.945 -0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.261 4.186 0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.755 7.562 1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.331 5.166 1.885 1.00 0.00 H new ATOM 757 N ALA A 50 -7.806 9.611 -2.446 1.00 0.00 N ATOM 758 CA ALA A 50 -6.611 10.111 -1.785 1.00 0.00 C ATOM 759 C ALA A 50 -5.804 10.983 -2.748 1.00 0.00 C ATOM 760 O ALA A 50 -4.802 10.557 -3.322 1.00 0.00 O ATOM 761 CB ALA A 50 -5.788 8.968 -1.202 1.00 0.00 C ATOM 0 H ALA A 50 -7.711 8.662 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.906 10.738 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.901 9.371 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.387 8.423 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.487 8.292 -2.002 1.00 0.00 H new ATOM 767 N GLU A 51 -6.254 12.225 -2.924 1.00 0.00 N ATOM 768 CA GLU A 51 -5.542 13.251 -3.683 1.00 0.00 C ATOM 769 C GLU A 51 -4.174 13.581 -3.043 1.00 0.00 C ATOM 770 O GLU A 51 -3.280 14.106 -3.710 1.00 0.00 O ATOM 771 CB GLU A 51 -6.462 14.484 -3.759 1.00 0.00 C ATOM 772 CG GLU A 51 -6.004 15.592 -4.719 1.00 0.00 C ATOM 773 CD GLU A 51 -6.051 15.150 -6.194 1.00 0.00 C ATOM 774 OE1 GLU A 51 -7.124 15.258 -6.831 1.00 0.00 O ATOM 775 OE2 GLU A 51 -5.014 14.713 -6.743 1.00 0.00 O ATOM 0 H GLU A 51 -7.139 12.551 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.315 12.896 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.457 14.155 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.555 14.909 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.637 16.469 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.987 15.891 -4.465 1.00 0.00 H new ATOM 782 N TYR A 52 -3.970 13.231 -1.769 1.00 0.00 N ATOM 783 CA TYR A 52 -2.738 13.440 -1.013 1.00 0.00 C ATOM 784 C TYR A 52 -2.357 12.093 -0.405 1.00 0.00 C ATOM 785 O TYR A 52 -3.244 11.339 0.009 1.00 0.00 O ATOM 786 CB TYR A 52 -2.911 14.528 0.071 1.00 0.00 C ATOM 787 CG TYR A 52 -4.200 15.337 0.045 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.433 16.280 -0.976 1.00 0.00 C ATOM 789 CD2 TYR A 52 -5.174 15.130 1.040 1.00 0.00 C ATOM 790 CE1 TYR A 52 -5.646 16.991 -1.018 1.00 0.00 C ATOM 791 CE2 TYR A 52 -6.395 15.821 0.994 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.639 16.758 -0.038 1.00 0.00 C ATOM 793 OH TYR A 52 -7.817 17.441 -0.098 1.00 0.00 O ATOM 0 H TYR A 52 -4.694 12.774 -1.215 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.945 13.802 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.833 14.048 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.075 15.222 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.678 16.457 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.981 14.435 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.819 17.716 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.148 15.638 1.746 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.393 17.166 0.646 1.00 0.00 H new ATOM 803 N HIS A 53 -1.067 11.772 -0.331 1.00 0.00 N ATOM 804 CA HIS A 53 -0.614 10.537 0.301 1.00 0.00 C ATOM 805 C HIS A 53 -0.939 10.569 1.792 1.00 0.00 C ATOM 806 O HIS A 53 -1.261 9.530 2.374 1.00 0.00 O ATOM 807 CB HIS A 53 0.889 10.337 0.075 1.00 0.00 C ATOM 808 CG HIS A 53 1.237 9.993 -1.352 1.00 0.00 C ATOM 809 ND1 HIS A 53 2.031 10.745 -2.221 1.00 0.00 N ATOM 810 CD2 HIS A 53 0.849 8.860 -1.998 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.118 10.045 -3.358 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.411 8.914 -3.248 1.00 0.00 N ATOM 0 H HIS A 53 -0.315 12.353 -0.703 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.137 9.695 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.417 11.247 0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.245 9.542 0.730 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.222 8.074 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.675 10.347 -4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.307 8.207 -3.976 1.00 0.00 H new ATOM 820 N ALA A 54 -0.943 11.760 2.398 1.00 0.00 N ATOM 821 CA ALA A 54 -1.409 11.953 3.761 1.00 0.00 C ATOM 822 C ALA A 54 -2.841 11.449 3.976 1.00 0.00 C ATOM 823 O ALA A 54 -3.159 11.045 5.093 1.00 0.00 O ATOM 824 CB ALA A 54 -1.309 13.434 4.143 1.00 0.00 C ATOM 0 H ALA A 54 -0.620 12.617 1.949 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.763 11.358 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.660 13.570 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.271 13.760 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.924 14.027 3.466 1.00 0.00 H new ATOM 830 N ASP A 55 -3.707 11.460 2.952 1.00 0.00 N ATOM 831 CA ASP A 55 -5.111 11.086 3.132 1.00 0.00 C ATOM 832 C ASP A 55 -5.232 9.594 3.432 1.00 0.00 C ATOM 833 O ASP A 55 -5.855 9.202 4.419 1.00 0.00 O ATOM 834 CB ASP A 55 -5.953 11.415 1.892 1.00 0.00 C ATOM 835 CG ASP A 55 -7.443 11.398 2.261 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.930 12.392 2.847 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.131 10.403 1.960 1.00 0.00 O ATOM 0 H ASP A 55 -3.459 11.722 1.998 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.490 11.667 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.676 12.394 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.755 10.690 1.103 1.00 0.00 H new ATOM 842 N ILE A 56 -4.574 8.762 2.613 1.00 0.00 N ATOM 843 CA ILE A 56 -4.523 7.322 2.826 1.00 0.00 C ATOM 844 C ILE A 56 -3.732 7.006 4.088 1.00 0.00 C ATOM 845 O ILE A 56 -4.140 6.100 4.809 1.00 0.00 O ATOM 846 CB ILE A 56 -3.978 6.515 1.616 1.00 0.00 C ATOM 847 CG1 ILE A 56 -3.022 7.282 0.664 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.152 5.816 0.915 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.823 6.648 -0.721 1.00 0.00 C ATOM 0 H ILE A 56 -4.065 9.075 1.787 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.557 6.998 2.945 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.301 5.757 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.405 8.294 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.049 7.371 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.780 5.246 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.645 5.142 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.866 6.563 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.138 7.261 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.406 5.647 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.783 6.585 -1.234 1.00 0.00 H new ATOM 861 N TYR A 57 -2.645 7.725 4.388 1.00 0.00 N ATOM 862 CA TYR A 57 -1.901 7.436 5.606 1.00 0.00 C ATOM 863 C TYR A 57 -2.786 7.661 6.834 1.00 0.00 C ATOM 864 O TYR A 57 -2.879 6.776 7.682 1.00 0.00 O ATOM 865 CB TYR A 57 -0.604 8.249 5.679 1.00 0.00 C ATOM 866 CG TYR A 57 0.242 7.915 6.898 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.592 6.576 7.168 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.677 8.933 7.768 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.381 6.256 8.284 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.478 8.623 8.882 1.00 0.00 C ATOM 871 CZ TYR A 57 1.843 7.280 9.139 1.00 0.00 C ATOM 872 OH TYR A 57 2.642 6.959 10.195 1.00 0.00 O ATOM 0 H TYR A 57 -2.274 8.487 3.821 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.610 6.386 5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.018 8.069 4.777 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.848 9.311 5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.250 5.790 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.394 9.958 7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.635 5.226 8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.814 9.410 9.541 1.00 0.00 H new ATOM 0 HH TYR A 57 2.877 7.773 10.687 1.00 0.00 H new ATOM 882 N ASP A 58 -3.492 8.794 6.908 1.00 0.00 N ATOM 883 CA ASP A 58 -4.378 9.094 8.028 1.00 0.00 C ATOM 884 C ASP A 58 -5.509 8.069 8.134 1.00 0.00 C ATOM 885 O ASP A 58 -5.763 7.544 9.218 1.00 0.00 O ATOM 886 CB ASP A 58 -4.962 10.503 7.893 1.00 0.00 C ATOM 887 CG ASP A 58 -5.941 10.793 9.043 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.485 11.064 10.176 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.171 10.778 8.816 1.00 0.00 O ATOM 0 H ASP A 58 -3.463 9.523 6.195 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.783 9.042 8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.158 11.238 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.476 10.600 6.937 1.00 0.00 H new ATOM 894 N LYS A 59 -6.164 7.746 7.012 1.00 0.00 N ATOM 895 CA LYS A 59 -7.269 6.791 6.982 1.00 0.00 C ATOM 896 C LYS A 59 -6.804 5.401 7.402 1.00 0.00 C ATOM 897 O LYS A 59 -7.383 4.814 8.316 1.00 0.00 O ATOM 898 CB LYS A 59 -7.892 6.804 5.578 1.00 0.00 C ATOM 899 CG LYS A 59 -8.955 5.711 5.362 1.00 0.00 C ATOM 900 CD LYS A 59 -10.085 6.243 4.473 1.00 0.00 C ATOM 901 CE LYS A 59 -11.040 5.115 4.060 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.112 5.599 3.155 1.00 0.00 N ATOM 0 H LYS A 59 -5.939 8.143 6.100 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.034 7.082 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.345 7.779 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.101 6.680 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.499 4.836 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.358 5.390 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.639 7.016 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.663 6.710 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.476 4.325 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.488 4.675 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.946 4.984 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.371 6.573 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.772 5.580 2.172 1.00 0.00 H new ATOM 916 N VAL A 60 -5.780 4.863 6.744 1.00 0.00 N ATOM 917 CA VAL A 60 -5.392 3.475 6.928 1.00 0.00 C ATOM 918 C VAL A 60 -4.737 3.316 8.293 1.00 0.00 C ATOM 919 O VAL A 60 -5.156 2.435 9.038 1.00 0.00 O ATOM 920 CB VAL A 60 -4.493 3.004 5.772 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.027 1.555 5.998 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.245 3.084 4.431 1.00 0.00 C ATOM 0 H VAL A 60 -5.204 5.374 6.076 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.273 2.833 6.906 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.625 3.662 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.393 1.243 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.463 1.495 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.895 0.899 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.591 2.747 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.129 2.448 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.548 4.114 4.244 1.00 0.00 H new ATOM 932 N SER A 61 -3.767 4.153 8.671 1.00 0.00 N ATOM 933 CA SER A 61 -3.147 4.030 9.983 1.00 0.00 C ATOM 934 C SER A 61 -4.154 4.328 11.095 1.00 0.00 C ATOM 935 O SER A 61 -4.041 3.745 12.170 1.00 0.00 O ATOM 936 CB SER A 61 -1.910 4.919 10.077 1.00 0.00 C ATOM 937 OG SER A 61 -1.003 4.539 9.059 1.00 0.00 O ATOM 0 H SER A 61 -3.402 4.910 8.094 1.00 0.00 H new ATOM 0 HA SER A 61 -2.820 2.999 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.188 5.967 9.964 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.444 4.816 11.057 1.00 0.00 H new ATOM 0 HG SER A 61 -0.495 5.324 8.764 1.00 0.00 H new ATOM 943 N GLY A 62 -5.169 5.161 10.839 1.00 0.00 N ATOM 944 CA GLY A 62 -6.288 5.352 11.746 1.00 0.00 C ATOM 945 C GLY A 62 -7.058 4.049 11.935 1.00 0.00 C ATOM 946 O GLY A 62 -7.291 3.645 13.071 1.00 0.00 O ATOM 0 H GLY A 62 -5.230 5.722 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.924 5.708 12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.954 6.120 11.353 1.00 0.00 H new ATOM 950 N ASP A 63 -7.421 3.354 10.852 1.00 0.00 N ATOM 951 CA ASP A 63 -8.113 2.069 10.945 1.00 0.00 C ATOM 952 C ASP A 63 -7.251 1.025 11.647 1.00 0.00 C ATOM 953 O ASP A 63 -7.735 0.346 12.552 1.00 0.00 O ATOM 954 CB ASP A 63 -8.548 1.548 9.574 1.00 0.00 C ATOM 955 CG ASP A 63 -9.375 0.263 9.754 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.611 0.367 9.925 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.799 -0.846 9.716 1.00 0.00 O ATOM 0 H ASP A 63 -7.245 3.664 9.896 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.010 2.243 11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.138 2.304 9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.674 1.347 8.955 1.00 0.00 H new ATOM 962 N MET A 64 -5.962 0.945 11.301 1.00 0.00 N ATOM 963 CA MET A 64 -5.019 0.060 11.972 1.00 0.00 C ATOM 964 C MET A 64 -5.005 0.350 13.469 1.00 0.00 C ATOM 965 O MET A 64 -5.189 -0.572 14.258 1.00 0.00 O ATOM 966 CB MET A 64 -3.614 0.192 11.368 1.00 0.00 C ATOM 967 CG MET A 64 -3.527 -0.314 9.920 1.00 0.00 C ATOM 968 SD MET A 64 -3.877 -2.075 9.704 1.00 0.00 S ATOM 969 CE MET A 64 -5.554 -1.936 9.047 1.00 0.00 C ATOM 0 H MET A 64 -5.548 1.494 10.547 1.00 0.00 H new ATOM 0 HA MET A 64 -5.342 -0.970 11.823 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.309 1.238 11.399 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.907 -0.365 11.984 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.225 0.258 9.309 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.527 -0.108 9.538 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.021 -2.921 9.030 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.138 -1.268 9.680 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.516 -1.535 8.034 1.00 0.00 H new ATOM 979 N GLN A 65 -4.876 1.611 13.881 1.00 0.00 N ATOM 980 CA GLN A 65 -4.860 1.991 15.284 1.00 0.00 C ATOM 981 C GLN A 65 -6.210 1.746 15.968 1.00 0.00 C ATOM 982 O GLN A 65 -6.220 1.447 17.162 1.00 0.00 O ATOM 983 CB GLN A 65 -4.438 3.466 15.395 1.00 0.00 C ATOM 984 CG GLN A 65 -2.922 3.681 15.246 1.00 0.00 C ATOM 985 CD GLN A 65 -2.189 3.453 16.571 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.000 4.375 17.361 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.782 2.229 16.860 1.00 0.00 N ATOM 0 H GLN A 65 -4.779 2.400 13.242 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.139 1.363 15.806 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.956 4.043 14.629 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.760 3.857 16.360 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.530 3.000 14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.730 4.694 14.893 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.943 1.469 16.199 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.307 2.045 17.744 1.00 0.00 H new ATOM 996 N LYS A 66 -7.338 1.809 15.251 1.00 0.00 N ATOM 997 CA LYS A 66 -8.633 1.399 15.796 1.00 0.00 C ATOM 998 C LYS A 66 -8.660 -0.113 16.035 1.00 0.00 C ATOM 999 O LYS A 66 -9.208 -0.536 17.054 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.792 1.878 14.902 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.036 3.388 15.090 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.184 3.949 14.238 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.861 3.959 12.735 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.946 4.585 11.936 1.00 0.00 N ATOM 0 H LYS A 66 -7.378 2.142 14.288 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.772 1.881 16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.562 1.669 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.699 1.325 15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.249 3.582 16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.120 3.926 14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.081 3.354 14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.409 4.965 14.563 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.930 4.500 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.702 2.937 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.688 4.571 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.830 4.054 12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.081 5.569 12.245 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.046 -0.931 15.167 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.846 -2.354 15.460 1.00 0.00 C ATOM 1020 C GLN A 67 -6.816 -2.532 16.597 1.00 0.00 C ATOM 1021 O GLN A 67 -6.863 -3.517 17.334 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.417 -3.121 14.193 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.471 -3.069 13.071 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.086 -3.931 11.864 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.746 -5.104 11.999 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.140 -3.401 10.653 1.00 0.00 N ATOM 0 H GLN A 67 -7.682 -0.632 14.262 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.795 -2.774 15.795 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.480 -2.705 13.823 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.223 -4.161 14.453 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.431 -3.406 13.463 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.603 -2.036 12.749 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.422 -2.428 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.900 -3.966 9.838 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.892 -1.580 16.748 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.845 -1.498 17.764 1.00 0.00 C ATOM 1037 C GLY A 68 -3.455 -1.421 17.123 1.00 0.00 C ATOM 1038 O GLY A 68 -2.525 -0.871 17.713 1.00 0.00 O ATOM 0 H GLY A 68 -5.856 -0.784 16.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.009 -0.620 18.389 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.899 -2.369 18.417 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.332 -1.953 15.904 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.107 -2.084 15.132 1.00 0.00 C ATOM 1044 C CYS A 69 -1.407 -0.733 14.992 1.00 0.00 C ATOM 1045 O CYS A 69 -2.060 0.298 14.827 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.467 -2.650 13.757 1.00 0.00 C ATOM 1047 SG CYS A 69 -3.115 -4.336 13.920 1.00 0.00 S ATOM 0 H CYS A 69 -4.140 -2.325 15.404 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.418 -2.756 15.643 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.210 -2.013 13.277 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.586 -2.652 13.115 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.612 -4.722 12.782 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.078 -0.739 15.034 1.00 0.00 N ATOM 1054 CA ASP A 70 0.752 0.465 14.996 1.00 0.00 C ATOM 1055 C ASP A 70 1.446 0.512 13.639 1.00 0.00 C ATOM 1056 O ASP A 70 1.854 -0.544 13.150 1.00 0.00 O ATOM 1057 CB ASP A 70 1.745 0.420 16.157 1.00 0.00 C ATOM 1058 CG ASP A 70 2.692 1.630 16.125 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.204 2.781 16.079 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.926 1.435 16.171 1.00 0.00 O ATOM 0 H ASP A 70 0.466 -1.600 15.097 1.00 0.00 H new ATOM 0 HA ASP A 70 0.159 1.372 15.111 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.203 0.404 17.102 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.326 -0.501 16.107 1.00 0.00 H new ATOM 1065 N CYS A 71 1.595 1.701 13.042 1.00 0.00 N ATOM 1066 CA CYS A 71 2.006 1.854 11.647 1.00 0.00 C ATOM 1067 C CYS A 71 3.032 2.960 11.387 1.00 0.00 C ATOM 1068 O CYS A 71 3.227 3.856 12.210 1.00 0.00 O ATOM 1069 CB CYS A 71 0.749 2.176 10.828 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.359 0.753 10.803 1.00 0.00 S ATOM 0 H CYS A 71 1.432 2.588 13.519 1.00 0.00 H new ATOM 0 HA CYS A 71 2.491 0.920 11.364 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.237 3.037 11.257 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.029 2.446 9.810 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.378 0.239 9.609 1.00 0.00 H new ATOM 1076 N GLU A 72 3.632 2.911 10.193 1.00 0.00 N ATOM 1077 CA GLU A 72 4.545 3.896 9.634 1.00 0.00 C ATOM 1078 C GLU A 72 4.432 3.801 8.105 1.00 0.00 C ATOM 1079 O GLU A 72 4.592 2.710 7.558 1.00 0.00 O ATOM 1080 CB GLU A 72 5.969 3.540 10.105 1.00 0.00 C ATOM 1081 CG GLU A 72 7.063 4.339 9.389 1.00 0.00 C ATOM 1082 CD GLU A 72 8.462 3.941 9.885 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.948 2.850 9.507 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.088 4.719 10.643 1.00 0.00 O ATOM 0 H GLU A 72 3.479 2.130 9.556 1.00 0.00 H new ATOM 0 HA GLU A 72 4.312 4.912 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.044 3.716 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.142 2.476 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.995 4.171 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.906 5.405 9.555 1.00 0.00 H new ATOM 1091 N CYS A 73 4.156 4.898 7.393 1.00 0.00 N ATOM 1092 CA CYS A 73 4.265 4.899 5.936 1.00 0.00 C ATOM 1093 C CYS A 73 5.761 4.905 5.594 1.00 0.00 C ATOM 1094 O CYS A 73 6.504 5.779 6.048 1.00 0.00 O ATOM 1095 CB CYS A 73 3.504 6.076 5.290 1.00 0.00 C ATOM 1096 SG CYS A 73 3.849 7.644 6.138 1.00 0.00 S ATOM 0 H CYS A 73 3.859 5.786 7.798 1.00 0.00 H new ATOM 0 HA CYS A 73 3.792 4.009 5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.786 6.160 4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.433 5.876 5.317 1.00 0.00 H new ATOM 0 HG CYS A 73 4.136 8.558 5.260 1.00 0.00 H new ATOM 1102 N LEU A 74 6.220 3.934 4.798 1.00 0.00 N ATOM 1103 CA LEU A 74 7.586 3.937 4.279 1.00 0.00 C ATOM 1104 C LEU A 74 7.748 5.031 3.217 1.00 0.00 C ATOM 1105 O LEU A 74 8.856 5.521 3.003 1.00 0.00 O ATOM 1106 CB LEU A 74 7.955 2.565 3.688 1.00 0.00 C ATOM 1107 CG LEU A 74 7.931 1.381 4.676 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.555 0.147 4.011 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.680 1.665 5.981 1.00 0.00 C ATOM 0 H LEU A 74 5.661 3.135 4.500 1.00 0.00 H new ATOM 0 HA LEU A 74 8.263 4.144 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.268 2.346 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.953 2.633 3.256 1.00 0.00 H new ATOM 0 HG LEU A 74 6.885 1.210 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.538 -0.690 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.985 -0.113 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.586 0.366 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.624 0.791 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.724 1.887 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.226 2.520 6.483 1.00 0.00 H new ATOM 1121 N GLY A 75 6.651 5.412 2.558 1.00 0.00 N ATOM 1122 CA GLY A 75 6.586 6.456 1.552 1.00 0.00 C ATOM 1123 C GLY A 75 5.295 6.284 0.760 1.00 0.00 C ATOM 1124 O GLY A 75 4.409 5.517 1.161 1.00 0.00 O ATOM 0 H GLY A 75 5.745 4.975 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.613 7.438 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.449 6.397 0.888 1.00 0.00 H new ATOM 1128 N GLY A 76 5.205 6.954 -0.386 1.00 0.00 N ATOM 1129 CA GLY A 76 4.099 6.787 -1.312 1.00 0.00 C ATOM 1130 C GLY A 76 4.547 6.986 -2.750 1.00 0.00 C ATOM 1131 O GLY A 76 5.688 7.375 -3.012 1.00 0.00 O ATOM 0 H GLY A 76 5.903 7.630 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.673 5.790 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.311 7.501 -1.073 1.00 0.00 H new ATOM 1135 N GLY A 77 3.627 6.715 -3.669 1.00 0.00 N ATOM 1136 CA GLY A 77 3.816 6.806 -5.105 1.00 0.00 C ATOM 1137 C GLY A 77 2.456 6.696 -5.779 1.00 0.00 C ATOM 1138 O GLY A 77 1.421 6.911 -5.146 1.00 0.00 O ATOM 0 H GLY A 77 2.686 6.412 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.292 7.751 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.476 6.011 -5.451 1.00 0.00 H new ATOM 1142 N ARG A 78 2.417 6.358 -7.058 1.00 0.00 N ATOM 1143 CA ARG A 78 1.189 6.163 -7.810 1.00 0.00 C ATOM 1144 C ARG A 78 1.347 4.911 -8.652 1.00 0.00 C ATOM 1145 O ARG A 78 2.464 4.439 -8.885 1.00 0.00 O ATOM 1146 CB ARG A 78 0.847 7.429 -8.618 1.00 0.00 C ATOM 1147 CG ARG A 78 1.899 7.808 -9.670 1.00 0.00 C ATOM 1148 CD ARG A 78 1.550 9.165 -10.298 1.00 0.00 C ATOM 1149 NE ARG A 78 2.576 9.610 -11.257 1.00 0.00 N ATOM 1150 CZ ARG A 78 3.716 10.254 -10.969 1.00 0.00 C ATOM 1151 NH1 ARG A 78 4.030 10.599 -9.724 1.00 0.00 N ATOM 1152 NH2 ARG A 78 4.562 10.560 -11.942 1.00 0.00 N ATOM 0 H ARG A 78 3.259 6.208 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 78 0.335 6.009 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.111 7.281 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.722 8.264 -7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.886 7.855 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.944 7.041 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.587 9.093 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.441 9.911 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 78 2.401 9.407 -12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.396 10.374 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.905 11.088 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.345 10.306 -12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.430 11.050 -11.727 1.00 0.00 H new ATOM 1166 N ILE A 79 0.215 4.365 -9.071 1.00 0.00 N ATOM 1167 CA ILE A 79 0.124 3.068 -9.722 1.00 0.00 C ATOM 1168 C ILE A 79 -0.373 3.331 -11.146 1.00 0.00 C ATOM 1169 O ILE A 79 -1.119 4.284 -11.381 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.777 2.129 -8.879 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.097 1.800 -7.526 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.100 0.816 -9.623 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.961 0.985 -6.552 1.00 0.00 C ATOM 0 H ILE A 79 -0.689 4.825 -8.964 1.00 0.00 H new ATOM 0 HA ILE A 79 1.080 2.549 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.714 2.658 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.823 1.249 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.188 2.734 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.733 0.189 -8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.622 1.043 -10.553 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.173 0.287 -9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.402 0.804 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.870 1.540 -6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.225 0.032 -7.010 1.00 0.00 H new ATOM 1185 N SER A 80 0.061 2.482 -12.077 1.00 0.00 N ATOM 1186 CA SER A 80 -0.127 2.599 -13.517 1.00 0.00 C ATOM 1187 C SER A 80 0.537 3.860 -14.095 1.00 0.00 C ATOM 1188 O SER A 80 1.111 4.685 -13.379 1.00 0.00 O ATOM 1189 CB SER A 80 -1.619 2.456 -13.867 1.00 0.00 C ATOM 1190 OG SER A 80 -2.114 1.224 -13.377 1.00 0.00 O ATOM 0 H SER A 80 0.585 1.643 -11.827 1.00 0.00 H new ATOM 0 HA SER A 80 0.393 1.776 -14.007 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.183 3.282 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.754 2.508 -14.947 1.00 0.00 H new ATOM 0 HG SER A 80 -3.076 1.302 -13.208 1.00 0.00 H new ATOM 1196 N HIS A 81 0.508 3.970 -15.423 1.00 0.00 N ATOM 1197 CA HIS A 81 1.066 5.063 -16.210 1.00 0.00 C ATOM 1198 C HIS A 81 0.276 5.144 -17.527 1.00 0.00 C ATOM 1199 O HIS A 81 -0.777 4.509 -17.646 1.00 0.00 O ATOM 1200 CB HIS A 81 2.589 4.871 -16.395 1.00 0.00 C ATOM 1201 CG HIS A 81 3.085 3.560 -16.977 1.00 0.00 C ATOM 1202 ND1 HIS A 81 4.387 3.111 -16.903 1.00 0.00 N ATOM 1203 CD2 HIS A 81 2.383 2.611 -17.678 1.00 0.00 C ATOM 1204 CE1 HIS A 81 4.463 1.927 -17.532 1.00 0.00 C ATOM 1205 NE2 HIS A 81 3.262 1.576 -18.024 1.00 0.00 N ATOM 0 H HIS A 81 0.070 3.258 -16.008 1.00 0.00 H new ATOM 0 HA HIS A 81 0.963 6.021 -15.701 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.950 5.676 -17.035 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.061 5.002 -15.421 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.332 2.655 -17.921 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.363 1.339 -17.629 1.00 0.00 H new ATOM 0 HE2 HIS A 81 3.036 0.728 -18.544 1.00 0.00 H new ATOM 1213 N GLN A 82 0.761 5.918 -18.504 1.00 0.00 N ATOM 1214 CA GLN A 82 0.147 6.030 -19.828 1.00 0.00 C ATOM 1215 C GLN A 82 -0.022 4.651 -20.481 1.00 0.00 C ATOM 1216 O GLN A 82 0.746 3.725 -20.213 1.00 0.00 O ATOM 1217 CB GLN A 82 1.008 6.919 -20.741 1.00 0.00 C ATOM 1218 CG GLN A 82 1.096 8.384 -20.285 1.00 0.00 C ATOM 1219 CD GLN A 82 1.878 9.259 -21.272 1.00 0.00 C ATOM 1220 OE1 GLN A 82 2.527 8.777 -22.199 1.00 0.00 O ATOM 1221 NE2 GLN A 82 1.837 10.571 -21.101 1.00 0.00 N ATOM 0 H GLN A 82 1.599 6.489 -18.395 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.838 6.479 -19.698 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.015 6.504 -20.791 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.600 6.888 -21.751 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.090 8.786 -20.167 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.574 8.429 -19.307 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.298 10.968 -20.332 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.344 11.185 -21.739 1.00 0.00 H new ATOM 1230 N SER A 83 -0.969 4.548 -21.415 1.00 0.00 N ATOM 1231 CA SER A 83 -1.333 3.342 -22.162 1.00 0.00 C ATOM 1232 C SER A 83 -0.245 2.844 -23.142 1.00 0.00 C ATOM 1233 O SER A 83 -0.552 2.106 -24.081 1.00 0.00 O ATOM 1234 CB SER A 83 -2.653 3.627 -22.899 1.00 0.00 C ATOM 1235 OG SER A 83 -3.588 4.284 -22.049 1.00 0.00 O ATOM 0 H SER A 83 -1.536 5.351 -21.686 1.00 0.00 H new ATOM 0 HA SER A 83 -1.445 2.527 -21.447 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.457 4.246 -23.775 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.080 2.691 -23.259 1.00 0.00 H new ATOM 0 HG SER A 83 -4.417 4.454 -22.544 1.00 0.00 H new ATOM 1241 N GLN A 84 1.018 3.250 -22.959 1.00 0.00 N ATOM 1242 CA GLN A 84 2.158 2.764 -23.732 1.00 0.00 C ATOM 1243 C GLN A 84 2.374 1.255 -23.512 1.00 0.00 C ATOM 1244 O GLN A 84 2.976 0.593 -24.359 1.00 0.00 O ATOM 1245 CB GLN A 84 3.430 3.540 -23.343 1.00 0.00 C ATOM 1246 CG GLN A 84 3.366 5.043 -23.675 1.00 0.00 C ATOM 1247 CD GLN A 84 4.689 5.766 -23.383 1.00 0.00 C ATOM 1248 OE1 GLN A 84 5.778 5.231 -23.583 1.00 0.00 O ATOM 1249 NE2 GLN A 84 4.647 6.999 -22.905 1.00 0.00 N ATOM 0 H GLN A 84 1.277 3.940 -22.254 1.00 0.00 H new ATOM 0 HA GLN A 84 1.946 2.928 -24.789 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.605 3.421 -22.274 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.285 3.100 -23.857 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.111 5.169 -24.727 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.567 5.506 -23.096 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.748 7.450 -22.736 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.514 7.498 -22.705 1.00 0.00 H new ATOM 1258 N ASP A 85 1.874 0.704 -22.402 1.00 0.00 N ATOM 1259 CA ASP A 85 1.852 -0.725 -22.096 1.00 0.00 C ATOM 1260 C ASP A 85 0.579 -1.010 -21.280 1.00 0.00 C ATOM 1261 O ASP A 85 -0.139 -0.076 -20.902 1.00 0.00 O ATOM 1262 CB ASP A 85 3.132 -1.124 -21.334 1.00 0.00 C ATOM 1263 CG ASP A 85 3.477 -2.614 -21.507 1.00 0.00 C ATOM 1264 OD1 ASP A 85 2.731 -3.476 -20.994 1.00 0.00 O ATOM 1265 OD2 ASP A 85 4.497 -2.925 -22.165 1.00 0.00 O ATOM 0 H ASP A 85 1.456 1.268 -21.662 1.00 0.00 H new ATOM 0 HA ASP A 85 1.832 -1.322 -23.008 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.966 -0.517 -21.687 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.004 -0.904 -20.274 1.00 0.00 H new ATOM 1270 N LYS A 86 0.293 -2.283 -21.000 1.00 0.00 N ATOM 1271 CA LYS A 86 -0.850 -2.747 -20.212 1.00 0.00 C ATOM 1272 C LYS A 86 -0.384 -3.396 -18.902 1.00 0.00 C ATOM 1273 O LYS A 86 -1.176 -3.496 -17.963 1.00 0.00 O ATOM 1274 CB LYS A 86 -1.686 -3.702 -21.086 1.00 0.00 C ATOM 1275 CG LYS A 86 -3.040 -4.080 -20.463 1.00 0.00 C ATOM 1276 CD LYS A 86 -3.879 -4.921 -21.437 1.00 0.00 C ATOM 1277 CE LYS A 86 -5.206 -5.390 -20.818 1.00 0.00 C ATOM 1278 NZ LYS A 86 -6.160 -4.278 -20.570 1.00 0.00 N ATOM 0 H LYS A 86 0.877 -3.051 -21.330 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.478 -1.906 -19.920 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.859 -3.236 -22.056 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.112 -4.611 -21.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.877 -4.639 -19.542 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.586 -3.176 -20.195 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.087 -4.335 -22.332 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.301 -5.790 -21.752 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.672 -6.119 -21.481 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.001 -5.901 -19.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.034 -4.657 -20.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.732 -3.593 -19.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.382 -3.805 -21.469 1.00 0.00 H new ATOM 1292 N LYS A 87 0.887 -3.808 -18.800 1.00 0.00 N ATOM 1293 CA LYS A 87 1.495 -4.240 -17.542 1.00 0.00 C ATOM 1294 C LYS A 87 1.334 -3.104 -16.529 1.00 0.00 C ATOM 1295 O LYS A 87 1.525 -1.936 -16.885 1.00 0.00 O ATOM 1296 CB LYS A 87 2.966 -4.595 -17.817 1.00 0.00 C ATOM 1297 CG LYS A 87 3.649 -5.368 -16.685 1.00 0.00 C ATOM 1298 CD LYS A 87 5.079 -5.785 -17.070 1.00 0.00 C ATOM 1299 CE LYS A 87 5.123 -6.704 -18.303 1.00 0.00 C ATOM 1300 NZ LYS A 87 6.432 -7.381 -18.454 1.00 0.00 N ATOM 0 H LYS A 87 1.523 -3.850 -19.596 1.00 0.00 H new ATOM 0 HA LYS A 87 1.016 -5.127 -17.127 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.020 -5.188 -18.730 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.522 -3.675 -18.000 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.678 -4.751 -15.787 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.063 -6.255 -16.443 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.672 -4.892 -17.267 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.543 -6.295 -16.226 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.336 -7.454 -18.223 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.914 -6.118 -19.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.437 -7.935 -19.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.189 -6.669 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.590 -8.015 -17.645 1.00 0.00 H new ATOM 1314 N ILE A 88 0.937 -3.425 -15.297 1.00 0.00 N ATOM 1315 CA ILE A 88 0.734 -2.422 -14.258 1.00 0.00 C ATOM 1316 C ILE A 88 2.124 -1.867 -13.898 1.00 0.00 C ATOM 1317 O ILE A 88 3.139 -2.540 -14.090 1.00 0.00 O ATOM 1318 CB ILE A 88 -0.064 -3.026 -13.069 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -1.457 -3.565 -13.492 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -0.317 -1.979 -11.963 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.474 -5.019 -13.983 1.00 0.00 C ATOM 0 H ILE A 88 0.749 -4.381 -14.995 1.00 0.00 H new ATOM 0 HA ILE A 88 0.118 -1.587 -14.592 1.00 0.00 H new ATOM 0 HB ILE A 88 0.558 -3.843 -12.704 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.136 -3.477 -12.644 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.851 -2.927 -14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.877 -2.438 -11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.637 -1.611 -11.585 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.889 -1.147 -12.374 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.492 -5.300 -14.254 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.826 -5.116 -14.854 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.116 -5.675 -13.190 1.00 0.00 H new ATOM 1333 N HIS A 89 2.189 -0.649 -13.362 1.00 0.00 N ATOM 1334 CA HIS A 89 3.443 -0.008 -12.990 1.00 0.00 C ATOM 1335 C HIS A 89 3.287 0.657 -11.626 1.00 0.00 C ATOM 1336 O HIS A 89 2.159 0.874 -11.182 1.00 0.00 O ATOM 1337 CB HIS A 89 3.845 1.002 -14.072 1.00 0.00 C ATOM 1338 CG HIS A 89 5.324 1.287 -14.073 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.304 0.409 -14.473 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.946 2.448 -13.697 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.488 1.030 -14.362 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.324 2.277 -13.884 1.00 0.00 N ATOM 0 H HIS A 89 1.365 -0.078 -13.174 1.00 0.00 H new ATOM 0 HA HIS A 89 4.238 -0.750 -12.914 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.551 0.619 -15.049 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.299 1.933 -13.917 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.461 3.337 -13.323 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.440 0.590 -14.620 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.057 2.961 -13.695 1.00 0.00 H new ATOM 1350 N VAL A 90 4.392 1.014 -10.976 1.00 0.00 N ATOM 1351 CA VAL A 90 4.409 1.725 -9.707 1.00 0.00 C ATOM 1352 C VAL A 90 5.626 2.651 -9.741 1.00 0.00 C ATOM 1353 O VAL A 90 6.705 2.222 -10.147 1.00 0.00 O ATOM 1354 CB VAL A 90 4.511 0.738 -8.521 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.134 1.470 -7.226 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.616 -0.510 -8.624 1.00 0.00 C ATOM 0 H VAL A 90 5.326 0.809 -11.331 1.00 0.00 H new ATOM 0 HA VAL A 90 3.488 2.291 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 90 5.543 0.386 -8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.204 0.780 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.817 2.305 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.114 1.845 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.762 -1.136 -7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.571 -0.205 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.880 -1.074 -9.519 1.00 0.00 H new ATOM 1366 N TYR A 91 5.479 3.915 -9.347 1.00 0.00 N ATOM 1367 CA TYR A 91 6.558 4.903 -9.343 1.00 0.00 C ATOM 1368 C TYR A 91 6.094 6.156 -8.596 1.00 0.00 C ATOM 1369 O TYR A 91 4.971 6.184 -8.099 1.00 0.00 O ATOM 1370 CB TYR A 91 7.005 5.247 -10.780 1.00 0.00 C ATOM 1371 CG TYR A 91 6.086 6.103 -11.640 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.697 5.871 -11.728 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.661 7.133 -12.406 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.894 6.666 -12.562 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.868 7.931 -13.246 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.477 7.698 -13.331 1.00 0.00 C ATOM 1377 OH TYR A 91 3.711 8.504 -14.120 1.00 0.00 O ATOM 0 H TYR A 91 4.590 4.289 -9.015 1.00 0.00 H new ATOM 0 HA TYR A 91 7.423 4.482 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.967 5.755 -10.715 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.175 4.309 -11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.248 5.077 -11.150 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.724 7.312 -12.347 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.830 6.488 -12.616 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.320 8.722 -13.826 1.00 0.00 H new ATOM 0 HH TYR A 91 4.284 9.157 -14.574 1.00 0.00 H new ATOM 1387 N GLY A 92 6.916 7.205 -8.533 1.00 0.00 N ATOM 1388 CA GLY A 92 6.517 8.487 -7.960 1.00 0.00 C ATOM 1389 C GLY A 92 7.088 8.672 -6.559 1.00 0.00 C ATOM 1390 O GLY A 92 7.963 7.916 -6.130 1.00 0.00 O ATOM 0 H GLY A 92 7.876 7.188 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.859 9.297 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.429 8.548 -7.922 1.00 0.00 H new ATOM 1394 N TYR A 93 6.625 9.709 -5.860 1.00 0.00 N ATOM 1395 CA TYR A 93 7.051 10.029 -4.504 1.00 0.00 C ATOM 1396 C TYR A 93 5.987 10.885 -3.814 1.00 0.00 C ATOM 1397 O TYR A 93 5.255 11.621 -4.483 1.00 0.00 O ATOM 1398 CB TYR A 93 8.400 10.776 -4.524 1.00 0.00 C ATOM 1399 CG TYR A 93 8.385 12.200 -5.070 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.152 12.449 -6.438 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.620 13.284 -4.201 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.129 13.768 -6.928 1.00 0.00 C ATOM 1403 CE2 TYR A 93 8.599 14.605 -4.682 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.350 14.854 -6.052 1.00 0.00 C ATOM 1405 OH TYR A 93 8.324 16.127 -6.538 1.00 0.00 O ATOM 0 H TYR A 93 5.932 10.359 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 93 7.178 9.100 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.788 10.806 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.104 10.192 -5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.990 11.622 -7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.818 13.098 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.942 13.950 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.773 15.429 -4.006 1.00 0.00 H new ATOM 0 HH TYR A 93 8.493 16.759 -5.808 1.00 0.00 H new ATOM 1415 N SER A 94 5.900 10.786 -2.487 1.00 0.00 N ATOM 1416 CA SER A 94 5.114 11.699 -1.667 1.00 0.00 C ATOM 1417 C SER A 94 5.995 12.916 -1.397 1.00 0.00 C ATOM 1418 O SER A 94 7.215 12.762 -1.265 1.00 0.00 O ATOM 1419 CB SER A 94 4.727 10.984 -0.366 1.00 0.00 C ATOM 1420 OG SER A 94 4.271 11.871 0.627 1.00 0.00 O ATOM 0 H SER A 94 6.378 10.063 -1.950 1.00 0.00 H new ATOM 0 HA SER A 94 4.194 12.013 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.949 10.251 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.589 10.434 0.012 1.00 0.00 H new ATOM 0 HG SER A 94 3.762 12.597 0.209 1.00 0.00 H new ATOM 1426 N MET A 95 5.414 14.111 -1.261 1.00 0.00 N ATOM 1427 CA MET A 95 6.198 15.243 -0.785 1.00 0.00 C ATOM 1428 C MET A 95 6.384 15.087 0.725 1.00 0.00 C ATOM 1429 O MET A 95 7.474 15.352 1.237 1.00 0.00 O ATOM 1430 CB MET A 95 5.575 16.600 -1.172 1.00 0.00 C ATOM 1431 CG MET A 95 4.713 17.267 -0.089 1.00 0.00 C ATOM 1432 SD MET A 95 4.077 18.903 -0.556 1.00 0.00 S ATOM 1433 CE MET A 95 3.420 19.443 1.047 1.00 0.00 C ATOM 0 H MET A 95 4.436 14.313 -1.467 1.00 0.00 H new ATOM 0 HA MET A 95 7.173 15.242 -1.272 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.379 17.284 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.962 16.458 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.872 16.614 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.303 17.364 0.822 1.00 0.00 H new ATOM 0 HE1 MET A 95 2.987 20.438 0.946 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.652 18.745 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.226 19.471 1.780 1.00 0.00 H new ATOM 1443 N ALA A 96 5.333 14.666 1.441 1.00 0.00 N ATOM 1444 CA ALA A 96 5.363 14.625 2.896 1.00 0.00 C ATOM 1445 C ALA A 96 6.176 13.437 3.427 1.00 0.00 C ATOM 1446 O ALA A 96 6.705 13.526 4.538 1.00 0.00 O ATOM 1447 CB ALA A 96 3.931 14.595 3.435 1.00 0.00 C ATOM 0 H ALA A 96 4.455 14.350 1.030 1.00 0.00 H new ATOM 0 HA ALA A 96 5.865 15.526 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.953 14.564 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.400 15.489 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.419 13.710 3.057 1.00 0.00 H new ATOM 1453 N TYR A 97 6.309 12.355 2.649 1.00 0.00 N ATOM 1454 CA TYR A 97 6.866 11.085 3.119 1.00 0.00 C ATOM 1455 C TYR A 97 7.880 10.452 2.152 1.00 0.00 C ATOM 1456 O TYR A 97 8.459 9.416 2.484 1.00 0.00 O ATOM 1457 CB TYR A 97 5.707 10.117 3.411 1.00 0.00 C ATOM 1458 CG TYR A 97 4.619 10.680 4.313 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.841 10.807 5.697 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.391 11.102 3.766 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.835 11.322 6.535 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.372 11.592 4.596 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.591 11.714 5.988 1.00 0.00 C ATOM 1464 OH TYR A 97 1.631 12.233 6.806 1.00 0.00 O ATOM 0 H TYR A 97 6.030 12.339 1.668 1.00 0.00 H new ATOM 0 HA TYR A 97 7.433 11.292 4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.256 9.816 2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.112 9.216 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.789 10.507 6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.233 11.048 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.013 11.418 7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.420 11.876 4.172 1.00 0.00 H new ATOM 0 HH TYR A 97 0.836 12.454 6.278 1.00 0.00 H new ATOM 1474 N GLY A 98 8.138 11.060 0.989 1.00 0.00 N ATOM 1475 CA GLY A 98 9.138 10.581 0.038 1.00 0.00 C ATOM 1476 C GLY A 98 8.672 9.355 -0.759 1.00 0.00 C ATOM 1477 O GLY A 98 7.521 8.920 -0.628 1.00 0.00 O ATOM 0 H GLY A 98 7.654 11.904 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.386 11.385 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.052 10.331 0.576 1.00 0.00 H new ATOM 1481 N PRO A 99 9.534 8.810 -1.635 1.00 0.00 N ATOM 1482 CA PRO A 99 9.248 7.589 -2.373 1.00 0.00 C ATOM 1483 C PRO A 99 9.301 6.380 -1.433 1.00 0.00 C ATOM 1484 O PRO A 99 10.180 6.281 -0.571 1.00 0.00 O ATOM 1485 CB PRO A 99 10.323 7.507 -3.459 1.00 0.00 C ATOM 1486 CG PRO A 99 11.516 8.239 -2.845 1.00 0.00 C ATOM 1487 CD PRO A 99 10.871 9.300 -1.951 1.00 0.00 C ATOM 0 HA PRO A 99 8.250 7.593 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.569 6.473 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.995 7.982 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.148 7.562 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.146 8.691 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.455 9.451 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.822 10.262 -2.462 1.00 0.00 H new ATOM 1495 N ALA A 100 8.365 5.449 -1.614 1.00 0.00 N ATOM 1496 CA ALA A 100 8.401 4.149 -0.959 1.00 0.00 C ATOM 1497 C ALA A 100 9.409 3.223 -1.653 1.00 0.00 C ATOM 1498 O ALA A 100 9.900 3.521 -2.745 1.00 0.00 O ATOM 1499 CB ALA A 100 7.011 3.522 -1.073 1.00 0.00 C ATOM 0 H ALA A 100 7.557 5.580 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 100 8.696 4.278 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.012 2.545 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.280 4.168 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.750 3.406 -2.125 1.00 0.00 H new ATOM 1505 N GLN A 101 9.686 2.068 -1.037 1.00 0.00 N ATOM 1506 CA GLN A 101 10.427 0.993 -1.685 1.00 0.00 C ATOM 1507 C GLN A 101 9.430 0.290 -2.605 1.00 0.00 C ATOM 1508 O GLN A 101 8.817 -0.707 -2.219 1.00 0.00 O ATOM 1509 CB GLN A 101 11.030 0.008 -0.668 1.00 0.00 C ATOM 1510 CG GLN A 101 12.186 0.590 0.149 1.00 0.00 C ATOM 1511 CD GLN A 101 13.350 1.076 -0.720 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.980 0.302 -1.436 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.656 2.363 -0.695 1.00 0.00 N ATOM 0 H GLN A 101 9.402 1.858 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 101 11.275 1.393 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.246 -0.321 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.382 -0.877 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.817 1.421 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.550 -0.167 0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.129 3.001 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.419 2.717 -1.272 1.00 0.00 H new ATOM 1522 N HIS A 102 9.243 0.826 -3.812 1.00 0.00 N ATOM 1523 CA HIS A 102 8.266 0.333 -4.782 1.00 0.00 C ATOM 1524 C HIS A 102 8.464 -1.145 -5.167 1.00 0.00 C ATOM 1525 O HIS A 102 7.547 -1.765 -5.704 1.00 0.00 O ATOM 1526 CB HIS A 102 8.238 1.277 -5.993 1.00 0.00 C ATOM 1527 CG HIS A 102 7.720 2.647 -5.615 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.419 3.834 -5.557 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.471 2.910 -5.123 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.608 4.772 -5.041 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.399 4.261 -4.775 1.00 0.00 N ATOM 0 H HIS A 102 9.776 1.628 -4.148 1.00 0.00 H new ATOM 0 HA HIS A 102 7.284 0.343 -4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.242 1.368 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.608 0.851 -6.774 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.384 3.975 -5.854 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.672 2.191 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.892 5.799 -4.865 1.00 0.00 H new ATOM 1539 N ALA A 103 9.624 -1.721 -4.831 1.00 0.00 N ATOM 1540 CA ALA A 103 9.916 -3.144 -4.919 1.00 0.00 C ATOM 1541 C ALA A 103 8.944 -3.983 -4.074 1.00 0.00 C ATOM 1542 O ALA A 103 8.508 -5.054 -4.498 1.00 0.00 O ATOM 1543 CB ALA A 103 11.354 -3.359 -4.422 1.00 0.00 C ATOM 0 H ALA A 103 10.413 -1.180 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 103 9.802 -3.468 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.603 -4.419 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.044 -2.792 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.437 -3.019 -3.390 1.00 0.00 H new ATOM 1549 N ILE A 104 8.611 -3.515 -2.866 1.00 0.00 N ATOM 1550 CA ILE A 104 7.680 -4.208 -1.983 1.00 0.00 C ATOM 1551 C ILE A 104 6.302 -4.184 -2.656 1.00 0.00 C ATOM 1552 O ILE A 104 5.625 -5.212 -2.729 1.00 0.00 O ATOM 1553 CB ILE A 104 7.674 -3.542 -0.583 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.095 -3.491 0.031 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.713 -4.289 0.360 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.170 -2.712 1.348 1.00 0.00 C ATOM 0 H ILE A 104 8.981 -2.647 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 104 7.977 -5.245 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 104 7.328 -2.516 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.444 -4.509 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.776 -3.037 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.719 -3.810 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.704 -4.261 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.035 -5.326 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.195 -2.720 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.852 -1.683 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.516 -3.178 2.084 1.00 0.00 H new ATOM 1568 N SER A 105 5.911 -3.022 -3.184 1.00 0.00 N ATOM 1569 CA SER A 105 4.635 -2.809 -3.839 1.00 0.00 C ATOM 1570 C SER A 105 4.456 -3.771 -5.008 1.00 0.00 C ATOM 1571 O SER A 105 3.419 -4.428 -5.082 1.00 0.00 O ATOM 1572 CB SER A 105 4.525 -1.357 -4.321 1.00 0.00 C ATOM 1573 OG SER A 105 5.228 -0.498 -3.444 1.00 0.00 O ATOM 0 H SER A 105 6.495 -2.186 -3.163 1.00 0.00 H new ATOM 0 HA SER A 105 3.842 -3.003 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.929 -1.269 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.477 -1.061 -4.370 1.00 0.00 H new ATOM 0 HG SER A 105 4.754 0.357 -3.373 1.00 0.00 H new ATOM 1579 N THR A 106 5.440 -3.893 -5.904 1.00 0.00 N ATOM 1580 CA THR A 106 5.284 -4.738 -7.074 1.00 0.00 C ATOM 1581 C THR A 106 5.103 -6.190 -6.669 1.00 0.00 C ATOM 1582 O THR A 106 4.150 -6.809 -7.133 1.00 0.00 O ATOM 1583 CB THR A 106 6.456 -4.573 -8.048 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.698 -4.492 -7.379 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.259 -3.300 -8.854 1.00 0.00 C ATOM 0 H THR A 106 6.341 -3.420 -5.836 1.00 0.00 H new ATOM 0 HA THR A 106 4.383 -4.419 -7.597 1.00 0.00 H new ATOM 0 HB THR A 106 6.473 -5.451 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.618 -4.899 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.090 -3.177 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.325 -3.364 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.221 -2.445 -8.180 1.00 0.00 H new ATOM 1593 N GLU A 107 5.944 -6.730 -5.784 1.00 0.00 N ATOM 1594 CA GLU A 107 5.838 -8.136 -5.414 1.00 0.00 C ATOM 1595 C GLU A 107 4.466 -8.434 -4.798 1.00 0.00 C ATOM 1596 O GLU A 107 3.856 -9.457 -5.117 1.00 0.00 O ATOM 1597 CB GLU A 107 6.987 -8.539 -4.477 1.00 0.00 C ATOM 1598 CG GLU A 107 8.369 -8.482 -5.152 1.00 0.00 C ATOM 1599 CD GLU A 107 8.485 -9.418 -6.368 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.700 -10.638 -6.183 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.377 -8.935 -7.518 1.00 0.00 O ATOM 0 H GLU A 107 6.695 -6.220 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 107 5.926 -8.741 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.987 -7.880 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.810 -9.550 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.571 -7.459 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.134 -8.747 -4.423 1.00 0.00 H new ATOM 1608 N LYS A 108 3.935 -7.524 -3.976 1.00 0.00 N ATOM 1609 CA LYS A 108 2.622 -7.704 -3.364 1.00 0.00 C ATOM 1610 C LYS A 108 1.495 -7.563 -4.386 1.00 0.00 C ATOM 1611 O LYS A 108 0.587 -8.394 -4.397 1.00 0.00 O ATOM 1612 CB LYS A 108 2.462 -6.720 -2.199 1.00 0.00 C ATOM 1613 CG LYS A 108 3.331 -7.144 -1.009 1.00 0.00 C ATOM 1614 CD LYS A 108 3.176 -6.177 0.170 1.00 0.00 C ATOM 1615 CE LYS A 108 3.903 -6.736 1.396 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.081 -7.753 2.089 1.00 0.00 N ATOM 0 H LYS A 108 4.399 -6.653 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 108 2.554 -8.720 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.743 -5.717 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.416 -6.676 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.054 -8.150 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.376 -7.182 -1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.583 -5.201 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.120 -6.031 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.851 -7.178 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.138 -5.924 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.698 -8.378 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.406 -7.280 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.561 -8.316 1.386 1.00 0.00 H new ATOM 1630 N ILE A 109 1.527 -6.555 -5.261 1.00 0.00 N ATOM 1631 CA ILE A 109 0.473 -6.356 -6.258 1.00 0.00 C ATOM 1632 C ILE A 109 0.492 -7.537 -7.249 1.00 0.00 C ATOM 1633 O ILE A 109 -0.578 -8.034 -7.604 1.00 0.00 O ATOM 1634 CB ILE A 109 0.587 -4.956 -6.919 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.404 -3.822 -5.874 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.493 -4.755 -8.005 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.899 -2.454 -6.365 1.00 0.00 C ATOM 0 H ILE A 109 2.274 -5.862 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.509 -6.356 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 109 1.582 -4.910 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.651 -3.746 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.939 -4.088 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.384 -3.765 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.376 -5.513 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.482 -4.845 -7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.741 -1.709 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.962 -2.514 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.346 -2.167 -7.259 1.00 0.00 H new ATOM 1649 N LYS A 110 1.670 -8.056 -7.637 1.00 0.00 N ATOM 1650 CA LYS A 110 1.770 -9.283 -8.436 1.00 0.00 C ATOM 1651 C LYS A 110 1.085 -10.425 -7.687 1.00 0.00 C ATOM 1652 O LYS A 110 0.230 -11.096 -8.258 1.00 0.00 O ATOM 1653 CB LYS A 110 3.236 -9.672 -8.713 1.00 0.00 C ATOM 1654 CG LYS A 110 4.031 -8.766 -9.669 1.00 0.00 C ATOM 1655 CD LYS A 110 5.510 -9.179 -9.614 1.00 0.00 C ATOM 1656 CE LYS A 110 6.422 -8.237 -10.407 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.852 -8.578 -10.215 1.00 0.00 N ATOM 0 H LYS A 110 2.571 -7.638 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 110 1.283 -9.100 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.764 -9.704 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.247 -10.684 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.649 -8.860 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.919 -7.721 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.837 -9.203 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.614 -10.191 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.172 -8.293 -11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.247 -7.208 -10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.444 -7.901 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.087 -8.533 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.030 -9.539 -10.570 1.00 0.00 H new ATOM 1671 N ALA A 111 1.426 -10.632 -6.409 1.00 0.00 N ATOM 1672 CA ALA A 111 0.884 -11.727 -5.612 1.00 0.00 C ATOM 1673 C ALA A 111 -0.643 -11.655 -5.471 1.00 0.00 C ATOM 1674 O ALA A 111 -1.283 -12.702 -5.358 1.00 0.00 O ATOM 1675 CB ALA A 111 1.552 -11.757 -4.233 1.00 0.00 C ATOM 0 H ALA A 111 2.086 -10.042 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 111 1.107 -12.653 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.140 -12.578 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.626 -11.900 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.366 -10.814 -3.718 1.00 0.00 H new ATOM 1681 N LYS A 112 -1.242 -10.454 -5.487 1.00 0.00 N ATOM 1682 CA LYS A 112 -2.697 -10.305 -5.419 1.00 0.00 C ATOM 1683 C LYS A 112 -3.371 -10.988 -6.615 1.00 0.00 C ATOM 1684 O LYS A 112 -4.413 -11.620 -6.437 1.00 0.00 O ATOM 1685 CB LYS A 112 -3.091 -8.816 -5.338 1.00 0.00 C ATOM 1686 CG LYS A 112 -4.573 -8.655 -4.951 1.00 0.00 C ATOM 1687 CD LYS A 112 -5.046 -7.194 -5.001 1.00 0.00 C ATOM 1688 CE LYS A 112 -6.538 -7.047 -4.652 1.00 0.00 C ATOM 1689 NZ LYS A 112 -6.860 -7.432 -3.252 1.00 0.00 N ATOM 0 H LYS A 112 -0.735 -9.571 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.047 -10.796 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.463 -8.310 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.909 -8.336 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.187 -9.254 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.726 -9.047 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.453 -6.599 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.868 -6.791 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.841 -6.013 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.125 -7.662 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.879 -7.310 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.601 -8.427 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.326 -6.829 -2.594 1.00 0.00 H new ATOM 1703 N TYR A 113 -2.800 -10.867 -7.818 1.00 0.00 N ATOM 1704 CA TYR A 113 -3.415 -11.351 -9.050 1.00 0.00 C ATOM 1705 C TYR A 113 -2.312 -11.737 -10.051 1.00 0.00 C ATOM 1706 O TYR A 113 -2.008 -10.965 -10.965 1.00 0.00 O ATOM 1707 CB TYR A 113 -4.399 -10.296 -9.588 1.00 0.00 C ATOM 1708 CG TYR A 113 -5.368 -10.841 -10.621 1.00 0.00 C ATOM 1709 CD1 TYR A 113 -6.523 -11.530 -10.204 1.00 0.00 C ATOM 1710 CD2 TYR A 113 -5.122 -10.659 -11.993 1.00 0.00 C ATOM 1711 CE1 TYR A 113 -7.433 -12.028 -11.154 1.00 0.00 C ATOM 1712 CE2 TYR A 113 -6.032 -11.142 -12.949 1.00 0.00 C ATOM 1713 CZ TYR A 113 -7.193 -11.834 -12.534 1.00 0.00 C ATOM 1714 OH TYR A 113 -8.082 -12.319 -13.446 1.00 0.00 O ATOM 0 H TYR A 113 -1.891 -10.427 -7.961 1.00 0.00 H new ATOM 0 HA TYR A 113 -4.002 -12.251 -8.867 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -4.965 -9.881 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -3.834 -9.475 -10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.711 -11.677 -9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -4.228 -10.145 -12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -8.316 -12.559 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -5.844 -10.985 -14.001 1.00 0.00 H new ATOM 0 HH TYR A 113 -7.774 -12.102 -14.351 1.00 0.00 H new ATOM 1724 N PRO A 114 -1.676 -12.914 -9.888 1.00 0.00 N ATOM 1725 CA PRO A 114 -0.477 -13.288 -10.639 1.00 0.00 C ATOM 1726 C PRO A 114 -0.736 -13.586 -12.126 1.00 0.00 C ATOM 1727 O PRO A 114 0.215 -13.830 -12.872 1.00 0.00 O ATOM 1728 CB PRO A 114 0.107 -14.495 -9.895 1.00 0.00 C ATOM 1729 CG PRO A 114 -1.112 -15.133 -9.235 1.00 0.00 C ATOM 1730 CD PRO A 114 -1.978 -13.926 -8.885 1.00 0.00 C ATOM 0 HA PRO A 114 0.222 -12.453 -10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 114 0.601 -15.186 -10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.849 -14.191 -9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.626 -15.817 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.839 -15.705 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.036 -14.187 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.754 -13.562 -7.883 1.00 0.00 H new ATOM 1738 N ASP A 115 -1.997 -13.579 -12.579 1.00 0.00 N ATOM 1739 CA ASP A 115 -2.329 -13.634 -14.005 1.00 0.00 C ATOM 1740 C ASP A 115 -1.926 -12.335 -14.726 1.00 0.00 C ATOM 1741 O ASP A 115 -1.706 -12.350 -15.938 1.00 0.00 O ATOM 1742 CB ASP A 115 -3.824 -13.908 -14.185 1.00 0.00 C ATOM 1743 CG ASP A 115 -4.206 -14.016 -15.671 1.00 0.00 C ATOM 1744 OD1 ASP A 115 -3.804 -15.002 -16.331 1.00 0.00 O ATOM 1745 OD2 ASP A 115 -4.954 -13.149 -16.176 1.00 0.00 O ATOM 0 H ASP A 115 -2.812 -13.535 -11.967 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.762 -14.449 -14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.089 -14.833 -13.673 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.400 -13.109 -13.718 1.00 0.00 H new ATOM 1750 N TYR A 116 -1.773 -11.227 -13.988 1.00 0.00 N ATOM 1751 CA TYR A 116 -1.195 -9.975 -14.476 1.00 0.00 C ATOM 1752 C TYR A 116 0.234 -9.836 -13.929 1.00 0.00 C ATOM 1753 O TYR A 116 0.694 -10.654 -13.127 1.00 0.00 O ATOM 1754 CB TYR A 116 -2.063 -8.775 -14.048 1.00 0.00 C ATOM 1755 CG TYR A 116 -3.489 -8.683 -14.579 1.00 0.00 C ATOM 1756 CD1 TYR A 116 -3.902 -9.356 -15.749 1.00 0.00 C ATOM 1757 CD2 TYR A 116 -4.409 -7.858 -13.899 1.00 0.00 C ATOM 1758 CE1 TYR A 116 -5.221 -9.222 -16.219 1.00 0.00 C ATOM 1759 CE2 TYR A 116 -5.730 -7.721 -14.361 1.00 0.00 C ATOM 1760 CZ TYR A 116 -6.144 -8.407 -15.526 1.00 0.00 C ATOM 1761 OH TYR A 116 -7.421 -8.289 -15.990 1.00 0.00 O ATOM 0 H TYR A 116 -2.057 -11.179 -13.009 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.163 -9.990 -15.565 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -2.114 -8.774 -12.959 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.540 -7.865 -14.343 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.201 -9.977 -16.287 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -4.095 -7.325 -13.013 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.529 -9.744 -17.113 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.427 -7.093 -13.827 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.930 -7.694 -15.400 1.00 0.00 H new ATOM 1771 N GLU A 117 0.944 -8.786 -14.346 1.00 0.00 N ATOM 1772 CA GLU A 117 2.306 -8.492 -13.922 1.00 0.00 C ATOM 1773 C GLU A 117 2.422 -6.984 -13.673 1.00 0.00 C ATOM 1774 O GLU A 117 1.613 -6.193 -14.171 1.00 0.00 O ATOM 1775 CB GLU A 117 3.291 -9.045 -14.971 1.00 0.00 C ATOM 1776 CG GLU A 117 4.757 -8.847 -14.563 1.00 0.00 C ATOM 1777 CD GLU A 117 5.721 -9.701 -15.406 1.00 0.00 C ATOM 1778 OE1 GLU A 117 5.894 -10.906 -15.110 1.00 0.00 O ATOM 1779 OE2 GLU A 117 6.335 -9.163 -16.354 1.00 0.00 O ATOM 0 H GLU A 117 0.574 -8.101 -15.005 1.00 0.00 H new ATOM 0 HA GLU A 117 2.562 -8.983 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.099 -10.108 -15.120 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.114 -8.552 -15.927 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.022 -7.795 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.876 -9.102 -13.510 1.00 0.00 H new ATOM 1786 N VAL A 118 3.417 -6.595 -12.874 1.00 0.00 N ATOM 1787 CA VAL A 118 3.588 -5.255 -12.335 1.00 0.00 C ATOM 1788 C VAL A 118 5.088 -4.947 -12.384 1.00 0.00 C ATOM 1789 O VAL A 118 5.894 -5.845 -12.123 1.00 0.00 O ATOM 1790 CB VAL A 118 3.075 -5.192 -10.875 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.790 -3.748 -10.443 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.804 -6.013 -10.598 1.00 0.00 C ATOM 0 H VAL A 118 4.153 -7.235 -12.576 1.00 0.00 H new ATOM 0 HA VAL A 118 3.020 -4.527 -12.914 1.00 0.00 H new ATOM 0 HB VAL A 118 3.890 -5.631 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.432 -3.740 -9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.705 -3.160 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.030 -3.316 -11.095 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.523 -5.906 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.993 -5.652 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.995 -7.064 -10.817 1.00 0.00 H new ATOM 1802 N THR A 119 5.472 -3.705 -12.660 1.00 0.00 N ATOM 1803 CA THR A 119 6.865 -3.259 -12.690 1.00 0.00 C ATOM 1804 C THR A 119 7.006 -1.947 -11.910 1.00 0.00 C ATOM 1805 O THR A 119 6.004 -1.341 -11.523 1.00 0.00 O ATOM 1806 CB THR A 119 7.326 -3.132 -14.157 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.357 -2.460 -14.947 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.583 -4.515 -14.758 1.00 0.00 C ATOM 0 H THR A 119 4.809 -2.961 -12.875 1.00 0.00 H new ATOM 0 HA THR A 119 7.512 -3.989 -12.204 1.00 0.00 H new ATOM 0 HB THR A 119 8.248 -2.551 -14.158 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.445 -1.492 -14.819 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.907 -4.407 -15.793 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.359 -5.022 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.665 -5.102 -14.725 1.00 0.00 H new ATOM 1816 N TRP A 120 8.238 -1.499 -11.656 1.00 0.00 N ATOM 1817 CA TRP A 120 8.491 -0.180 -11.091 1.00 0.00 C ATOM 1818 C TRP A 120 9.762 0.397 -11.710 1.00 0.00 C ATOM 1819 O TRP A 120 10.668 -0.350 -12.094 1.00 0.00 O ATOM 1820 CB TRP A 120 8.580 -0.225 -9.554 1.00 0.00 C ATOM 1821 CG TRP A 120 9.795 -0.865 -8.956 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.974 -2.189 -8.760 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.012 -0.222 -8.461 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.212 -2.418 -8.199 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.895 -1.241 -7.986 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.464 1.116 -8.363 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.158 -0.955 -7.448 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.736 1.408 -7.829 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.580 0.381 -7.371 1.00 0.00 C ATOM 0 H TRP A 120 9.083 -2.042 -11.837 1.00 0.00 H new ATOM 0 HA TRP A 120 7.651 0.472 -11.331 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.520 0.798 -9.182 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.702 -0.752 -9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.254 -2.955 -9.006 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.577 -3.343 -7.970 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.828 1.921 -8.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.797 -1.752 -7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.066 2.435 -7.771 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.550 0.620 -6.961 1.00 0.00 H new ATOM 1840 N ALA A 121 9.826 1.724 -11.795 1.00 0.00 N ATOM 1841 CA ALA A 121 10.990 2.499 -12.199 1.00 0.00 C ATOM 1842 C ALA A 121 10.764 3.879 -11.593 1.00 0.00 C ATOM 1843 O ALA A 121 9.939 4.649 -12.088 1.00 0.00 O ATOM 1844 CB ALA A 121 11.113 2.564 -13.728 1.00 0.00 C ATOM 0 H ALA A 121 9.025 2.315 -11.572 1.00 0.00 H new ATOM 0 HA ALA A 121 11.923 2.053 -11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.992 3.150 -13.998 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.212 1.555 -14.128 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.222 3.034 -14.145 1.00 0.00 H new ATOM 1850 N ASN A 122 11.441 4.174 -10.479 1.00 0.00 N ATOM 1851 CA ASN A 122 11.128 5.369 -9.691 1.00 0.00 C ATOM 1852 C ASN A 122 11.433 6.676 -10.435 1.00 0.00 C ATOM 1853 O ASN A 122 10.866 7.715 -10.101 1.00 0.00 O ATOM 1854 CB ASN A 122 11.859 5.373 -8.338 1.00 0.00 C ATOM 1855 CG ASN A 122 10.965 5.915 -7.228 1.00 0.00 C ATOM 1856 OD1 ASN A 122 10.744 5.235 -6.233 1.00 0.00 O ATOM 1857 ND2 ASN A 122 10.381 7.089 -7.387 1.00 0.00 N ATOM 0 H ASN A 122 12.202 3.607 -10.105 1.00 0.00 H new ATOM 0 HA ASN A 122 10.053 5.322 -9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.176 4.360 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.761 5.981 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.738 7.439 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.573 7.646 -8.220 1.00 0.00 H new ATOM 1864 N ASP A 123 12.332 6.617 -11.423 1.00 0.00 N ATOM 1865 CA ASP A 123 12.937 7.750 -12.134 1.00 0.00 C ATOM 1866 C ASP A 123 11.937 8.744 -12.731 1.00 0.00 C ATOM 1867 O ASP A 123 12.253 9.925 -12.881 1.00 0.00 O ATOM 1868 CB ASP A 123 13.810 7.194 -13.261 1.00 0.00 C ATOM 1869 CG ASP A 123 14.515 8.313 -14.048 1.00 0.00 C ATOM 1870 OD1 ASP A 123 15.463 8.930 -13.512 1.00 0.00 O ATOM 1871 OD2 ASP A 123 14.158 8.546 -15.225 1.00 0.00 O ATOM 0 H ASP A 123 12.678 5.722 -11.769 1.00 0.00 H new ATOM 0 HA ASP A 123 13.508 8.310 -11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.557 6.519 -12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.194 6.605 -13.941 1.00 0.00 H new ATOM 1876 N GLY A 124 10.729 8.283 -13.061 1.00 0.00 N ATOM 1877 CA GLY A 124 9.669 9.141 -13.584 1.00 0.00 C ATOM 1878 C GLY A 124 9.202 10.208 -12.581 1.00 0.00 C ATOM 1879 O GLY A 124 8.676 11.234 -13.015 1.00 0.00 O ATOM 0 H GLY A 124 10.460 7.303 -12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 124 10.023 9.633 -14.490 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.818 8.523 -13.869 1.00 0.00 H new ATOM 1883 N TYR A 125 9.423 9.992 -11.273 1.00 0.00 N ATOM 1884 CA TYR A 125 9.108 10.887 -10.150 1.00 0.00 C ATOM 1885 C TYR A 125 7.924 11.814 -10.424 1.00 0.00 C ATOM 1886 O TYR A 125 6.767 11.396 -10.298 1.00 0.00 O ATOM 1887 CB TYR A 125 10.349 11.700 -9.742 1.00 0.00 C ATOM 1888 CG TYR A 125 11.441 10.892 -9.059 1.00 0.00 C ATOM 1889 CD1 TYR A 125 11.234 10.387 -7.759 1.00 0.00 C ATOM 1890 CD2 TYR A 125 12.671 10.661 -9.704 1.00 0.00 C ATOM 1891 CE1 TYR A 125 12.236 9.638 -7.117 1.00 0.00 C ATOM 1892 CE2 TYR A 125 13.675 9.905 -9.075 1.00 0.00 C ATOM 1893 CZ TYR A 125 13.459 9.382 -7.780 1.00 0.00 C ATOM 1894 OH TYR A 125 14.436 8.642 -7.182 1.00 0.00 O ATOM 0 H TYR A 125 9.857 9.126 -10.952 1.00 0.00 H new ATOM 0 HA TYR A 125 8.807 10.245 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 125 10.767 12.171 -10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 125 10.037 12.502 -9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 125 10.299 10.577 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 125 12.844 11.068 -10.689 1.00 0.00 H new ATOM 0 HE1 TYR A 125 12.072 9.259 -6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 125 14.612 9.724 -9.581 1.00 0.00 H new ATOM 0 HH TYR A 125 15.205 8.568 -7.785 1.00 0.00 H new TER 1904 TYR A 125 HETATM 1905 P PO4 A 126 1.332 14.416 -0.286 1.00 0.00 P HETATM 1906 O1 PO4 A 126 0.779 13.903 -1.552 1.00 0.00 O HETATM 1907 O2 PO4 A 126 2.771 14.077 -0.171 1.00 0.00 O HETATM 1908 O3 PO4 A 126 0.569 13.841 0.836 1.00 0.00 O HETATM 1909 O4 PO4 A 126 1.160 15.880 -0.273 1.00 0.00 O