USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 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 Single : A1073 LYS NZ :NH3+ 152:sc= -2.28! (180deg=-4.77!) USER MOD Single : A1074 THR OG1 : rot 126:sc= 2.17 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -110:sc= 0.626 USER MOD Single : A1079 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.2) USER MOD Single : A1082 ASN : amide:sc= -2.69! K(o=-2.7!,f=-3.2) USER MOD Single : A1087 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A1102 GLN : amide:sc= 1.25 K(o=1.2,f=-0.54) USER MOD Single : A1108 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-4.5!) USER MOD Single : A1112 GLN : amide:sc= -0.465 K(o=-0.47,f=-5.2!) USER MOD Single : A1116 LYS NZ :NH3+ 141:sc= -1.82! (180deg=-4.25!) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0198 USER MOD Single : A1125 HIS : no HD1:sc= -0.0163 K(o=-0.016,f=-0.57) USER MOD Single : A1128 SER OG : rot -55:sc=0.000942 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -1.571 -1.314 -2.539 1.00 0.00 N ATOM 2 CA VAL A1069 -0.618 -0.216 -2.249 1.00 0.00 C ATOM 3 C VAL A1069 -1.000 1.023 -3.048 1.00 0.00 C ATOM 4 O VAL A1069 -1.493 0.924 -4.173 1.00 0.00 O ATOM 5 CB VAL A1069 0.830 -0.631 -2.604 1.00 0.00 C ATOM 6 CG1 VAL A1069 1.828 0.465 -2.260 1.00 0.00 C ATOM 7 CG2 VAL A1069 1.201 -1.925 -1.897 1.00 0.00 C ATOM 0 HA VAL A1069 -0.665 0.003 -1.182 1.00 0.00 H new ATOM 0 HB VAL A1069 0.872 -0.792 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A1069 2.834 0.137 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A1069 1.583 1.369 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A1069 1.783 0.676 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.222 -2.202 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A1069 1.127 -1.784 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A1069 0.520 -2.717 -2.207 1.00 0.00 H new ATOM 19 N ARG A1070 -0.782 2.189 -2.459 1.00 0.00 N ATOM 20 CA ARG A1070 -1.152 3.442 -3.089 1.00 0.00 C ATOM 21 C ARG A1070 -0.206 3.763 -4.240 1.00 0.00 C ATOM 22 O ARG A1070 0.966 4.074 -4.033 1.00 0.00 O ATOM 23 CB ARG A1070 -1.134 4.576 -2.065 1.00 0.00 C ATOM 24 CG ARG A1070 -1.697 5.883 -2.596 1.00 0.00 C ATOM 25 CD ARG A1070 -1.472 7.022 -1.616 1.00 0.00 C ATOM 26 NE ARG A1070 -2.118 6.788 -0.329 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.683 7.287 0.829 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.607 8.065 0.860 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.337 7.014 1.952 1.00 0.00 N ATOM 0 H ARG A1070 -0.349 2.291 -1.541 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.162 3.341 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.707 4.272 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.108 4.739 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.226 6.123 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.764 5.770 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.402 7.158 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.853 7.948 -2.047 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.955 6.206 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.110 8.283 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.278 8.445 1.748 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.169 6.424 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.007 7.394 2.839 1.00 0.00 H new ATOM 43 N ARG A1071 -0.725 3.682 -5.451 1.00 0.00 N ATOM 44 CA ARG A1071 0.036 4.015 -6.636 1.00 0.00 C ATOM 45 C ARG A1071 -0.577 5.234 -7.285 1.00 0.00 C ATOM 46 O ARG A1071 -1.771 5.489 -7.130 1.00 0.00 O ATOM 47 CB ARG A1071 0.049 2.859 -7.640 1.00 0.00 C ATOM 48 CG ARG A1071 0.804 1.629 -7.161 1.00 0.00 C ATOM 49 CD ARG A1071 1.046 0.641 -8.294 1.00 0.00 C ATOM 50 NE ARG A1071 -0.192 0.045 -8.799 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.265 -0.725 -9.887 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.818 -0.979 -10.612 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.430 -1.239 -10.249 1.00 0.00 N ATOM 0 H ARG A1071 -1.682 3.384 -5.638 1.00 0.00 H new ATOM 0 HA ARG A1071 1.066 4.214 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.979 2.576 -7.865 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.496 3.206 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.759 1.932 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.239 1.141 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.559 1.149 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.709 -0.150 -7.945 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.054 0.230 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A1071 1.718 -0.584 -10.340 1.00 0.00 H new ATOM 0 HH12 ARG A1071 0.750 -1.569 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.266 -1.046 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -1.492 -1.828 -11.079 1.00 0.00 H new ATOM 67 N VAL A1072 0.235 5.984 -7.990 1.00 0.00 N ATOM 68 CA VAL A1072 -0.230 7.142 -8.721 1.00 0.00 C ATOM 69 C VAL A1072 0.266 7.059 -10.163 1.00 0.00 C ATOM 70 O VAL A1072 1.269 6.403 -10.444 1.00 0.00 O ATOM 71 CB VAL A1072 0.254 8.458 -8.076 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.265 8.580 -6.653 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.771 8.554 -8.099 1.00 0.00 C ATOM 0 H VAL A1072 1.237 5.811 -8.074 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.320 7.145 -8.697 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.146 9.285 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.087 9.514 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.355 8.572 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.100 7.742 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.083 9.491 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.197 7.718 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.122 8.522 -9.130 1.00 0.00 H new ATOM 83 N LYS A1073 -0.445 7.698 -11.063 1.00 0.00 N ATOM 84 CA LYS A1073 -0.089 7.707 -12.464 1.00 0.00 C ATOM 85 C LYS A1073 -0.055 9.147 -12.936 1.00 0.00 C ATOM 86 O LYS A1073 -1.070 9.838 -12.937 1.00 0.00 O ATOM 87 CB LYS A1073 -1.099 6.879 -13.259 1.00 0.00 C ATOM 88 CG LYS A1073 -0.485 6.094 -14.402 1.00 0.00 C ATOM 89 CD LYS A1073 -0.604 6.832 -15.719 1.00 0.00 C ATOM 90 CE LYS A1073 0.041 6.046 -16.845 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.293 6.613 -18.177 1.00 0.00 N ATOM 0 H LYS A1073 -1.289 8.228 -10.844 1.00 0.00 H new ATOM 0 HA LYS A1073 0.893 7.260 -12.617 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.599 6.186 -12.582 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.865 7.544 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.566 5.901 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.977 5.125 -14.483 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.655 7.006 -15.948 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.130 7.810 -15.636 1.00 0.00 H new ATOM 0 HE2 LYS A1073 1.123 6.043 -16.712 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.289 5.008 -16.799 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.474 6.402 -18.847 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.179 6.191 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.408 7.643 -18.097 1.00 0.00 H new ATOM 105 N THR A1074 1.128 9.596 -13.287 1.00 0.00 N ATOM 106 CA THR A1074 1.380 10.998 -13.567 1.00 0.00 C ATOM 107 C THR A1074 0.545 11.519 -14.733 1.00 0.00 C ATOM 108 O THR A1074 0.453 10.884 -15.788 1.00 0.00 O ATOM 109 CB THR A1074 2.868 11.210 -13.858 1.00 0.00 C ATOM 110 OG1 THR A1074 3.243 10.489 -15.035 1.00 0.00 O ATOM 111 CG2 THR A1074 3.697 10.721 -12.686 1.00 0.00 C ATOM 0 H THR A1074 1.949 8.999 -13.388 1.00 0.00 H new ATOM 0 HA THR A1074 1.088 11.563 -12.682 1.00 0.00 H new ATOM 0 HB THR A1074 3.048 12.274 -14.012 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.675 11.099 -15.669 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.755 10.875 -12.899 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.423 11.277 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.510 9.659 -12.526 1.00 0.00 H new ATOM 119 N ILE A1075 -0.064 12.679 -14.528 1.00 0.00 N ATOM 120 CA ILE A1075 -0.897 13.306 -15.546 1.00 0.00 C ATOM 121 C ILE A1075 -0.250 14.588 -16.064 1.00 0.00 C ATOM 122 O ILE A1075 -0.692 15.163 -17.060 1.00 0.00 O ATOM 123 CB ILE A1075 -2.310 13.628 -15.005 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.216 14.381 -13.672 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.126 12.354 -14.849 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.562 14.714 -13.057 1.00 0.00 C ATOM 0 H ILE A1075 0.004 13.209 -13.659 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.992 12.593 -16.365 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.817 14.270 -15.725 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.644 13.779 -12.966 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.660 15.306 -13.827 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.117 12.601 -14.467 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.222 11.863 -15.817 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.625 11.684 -14.150 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.411 15.246 -12.117 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.130 15.343 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.114 13.793 -12.868 1.00 0.00 H new ATOM 138 N TYR A1076 0.803 15.024 -15.383 1.00 0.00 N ATOM 139 CA TYR A1076 1.525 16.234 -15.764 1.00 0.00 C ATOM 140 C TYR A1076 3.029 15.987 -15.756 1.00 0.00 C ATOM 141 O TYR A1076 3.518 15.112 -15.040 1.00 0.00 O ATOM 142 CB TYR A1076 1.207 17.386 -14.806 1.00 0.00 C ATOM 143 CG TYR A1076 -0.199 17.932 -14.912 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.592 18.678 -16.014 1.00 0.00 C ATOM 145 CD2 TYR A1076 -1.124 17.718 -13.900 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.870 19.193 -16.108 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.402 18.231 -13.982 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.771 18.967 -15.089 1.00 0.00 C ATOM 149 OH TYR A1076 -4.044 19.487 -15.167 1.00 0.00 O ATOM 0 H TYR A1076 1.178 14.555 -14.559 1.00 0.00 H new ATOM 0 HA TYR A1076 1.204 16.504 -16.770 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.373 17.046 -13.784 1.00 0.00 H new ATOM 0 HB3 TYR A1076 1.911 18.197 -14.990 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.113 18.859 -16.812 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.839 17.140 -13.033 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.162 19.769 -16.974 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.109 18.058 -13.184 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.551 19.233 -14.367 1.00 0.00 H new ATOM 159 N ASP A1077 3.746 16.754 -16.567 1.00 0.00 N ATOM 160 CA ASP A1077 5.205 16.718 -16.584 1.00 0.00 C ATOM 161 C ASP A1077 5.777 17.412 -15.354 1.00 0.00 C ATOM 162 O ASP A1077 5.399 18.541 -15.035 1.00 0.00 O ATOM 163 CB ASP A1077 5.745 17.389 -17.852 1.00 0.00 C ATOM 164 CG ASP A1077 7.228 17.698 -17.767 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.044 16.767 -17.898 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.582 18.883 -17.574 1.00 0.00 O ATOM 0 H ASP A1077 3.337 17.415 -17.228 1.00 0.00 H new ATOM 0 HA ASP A1077 5.515 15.673 -16.575 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.562 16.739 -18.708 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.195 18.313 -18.031 1.00 0.00 H new ATOM 171 N CYS A1078 6.690 16.738 -14.674 1.00 0.00 N ATOM 172 CA CYS A1078 7.345 17.293 -13.500 1.00 0.00 C ATOM 173 C CYS A1078 8.849 17.376 -13.716 1.00 0.00 C ATOM 174 O CYS A1078 9.531 16.353 -13.822 1.00 0.00 O ATOM 175 CB CYS A1078 7.049 16.449 -12.265 1.00 0.00 C ATOM 176 SG CYS A1078 7.935 16.963 -10.772 1.00 0.00 S ATOM 0 H CYS A1078 6.997 15.796 -14.918 1.00 0.00 H new ATOM 0 HA CYS A1078 6.953 18.297 -13.341 1.00 0.00 H new ATOM 0 HB2 CYS A1078 5.978 16.483 -12.066 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.300 15.411 -12.482 1.00 0.00 H new ATOM 0 HG CYS A1078 8.837 16.075 -10.476 1.00 0.00 H new ATOM 182 N GLN A1079 9.353 18.593 -13.794 1.00 0.00 N ATOM 183 CA GLN A1079 10.776 18.834 -13.948 1.00 0.00 C ATOM 184 C GLN A1079 11.396 19.125 -12.590 1.00 0.00 C ATOM 185 O GLN A1079 11.324 20.249 -12.090 1.00 0.00 O ATOM 186 CB GLN A1079 11.000 20.016 -14.888 1.00 0.00 C ATOM 187 CG GLN A1079 12.459 20.284 -15.218 1.00 0.00 C ATOM 188 CD GLN A1079 12.641 21.607 -15.934 1.00 0.00 C ATOM 189 OE1 GLN A1079 11.900 22.561 -15.696 1.00 0.00 O ATOM 190 NE2 GLN A1079 13.618 21.676 -16.820 1.00 0.00 N ATOM 0 H GLN A1079 8.789 19.442 -13.753 1.00 0.00 H new ATOM 0 HA GLN A1079 11.248 17.948 -14.373 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.457 19.836 -15.816 1.00 0.00 H new ATOM 0 HB3 GLN A1079 10.571 20.911 -14.437 1.00 0.00 H new ATOM 0 HG2 GLN A1079 13.045 20.285 -14.299 1.00 0.00 H new ATOM 0 HG3 GLN A1079 12.845 19.477 -15.842 1.00 0.00 H new ATOM 0 HE21 GLN A1079 14.211 20.864 -16.989 1.00 0.00 H new ATOM 0 HE22 GLN A1079 13.779 22.542 -17.335 1.00 0.00 H new ATOM 199 N ALA A1080 11.964 18.102 -11.984 1.00 0.00 N ATOM 200 CA ALA A1080 12.611 18.237 -10.688 1.00 0.00 C ATOM 201 C ALA A1080 13.878 19.078 -10.795 1.00 0.00 C ATOM 202 O ALA A1080 14.585 19.029 -11.805 1.00 0.00 O ATOM 203 CB ALA A1080 12.944 16.866 -10.131 1.00 0.00 C ATOM 0 H ALA A1080 11.992 17.158 -12.370 1.00 0.00 H new ATOM 0 HA ALA A1080 11.922 18.743 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.428 16.975 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.027 16.287 -10.016 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.616 16.349 -10.816 1.00 0.00 H new ATOM 209 N ASP A1081 14.157 19.851 -9.757 1.00 0.00 N ATOM 210 CA ASP A1081 15.364 20.665 -9.711 1.00 0.00 C ATOM 211 C ASP A1081 16.300 20.143 -8.632 1.00 0.00 C ATOM 212 O ASP A1081 17.523 20.188 -8.770 1.00 0.00 O ATOM 213 CB ASP A1081 15.018 22.134 -9.454 1.00 0.00 C ATOM 214 CG ASP A1081 16.252 23.001 -9.303 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.045 23.095 -10.260 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.433 23.603 -8.224 1.00 0.00 O ATOM 0 H ASP A1081 13.563 19.933 -8.932 1.00 0.00 H new ATOM 0 HA ASP A1081 15.865 20.599 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.411 22.511 -10.277 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.412 22.209 -8.551 1.00 0.00 H new ATOM 221 N ASN A1082 15.713 19.642 -7.560 1.00 0.00 N ATOM 222 CA ASN A1082 16.468 18.989 -6.503 1.00 0.00 C ATOM 223 C ASN A1082 16.523 17.494 -6.791 1.00 0.00 C ATOM 224 O ASN A1082 15.548 16.911 -7.259 1.00 0.00 O ATOM 225 CB ASN A1082 15.809 19.266 -5.143 1.00 0.00 C ATOM 226 CG ASN A1082 16.433 18.490 -3.993 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.617 18.159 -4.010 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.642 18.200 -2.972 1.00 0.00 N ATOM 0 H ASN A1082 14.707 19.675 -7.397 1.00 0.00 H new ATOM 0 HA ASN A1082 17.484 19.381 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.874 20.333 -4.928 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.750 19.018 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A1082 16.011 17.688 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.664 18.488 -2.987 1.00 0.00 H new ATOM 235 N ASP A1083 17.671 16.882 -6.528 1.00 0.00 N ATOM 236 CA ASP A1083 17.883 15.472 -6.853 1.00 0.00 C ATOM 237 C ASP A1083 17.074 14.565 -5.926 1.00 0.00 C ATOM 238 O ASP A1083 16.957 13.364 -6.160 1.00 0.00 O ATOM 239 CB ASP A1083 19.372 15.121 -6.777 1.00 0.00 C ATOM 240 CG ASP A1083 19.681 13.750 -7.355 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.611 13.592 -8.592 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.006 12.826 -6.581 1.00 0.00 O ATOM 0 H ASP A1083 18.472 17.338 -6.090 1.00 0.00 H new ATOM 0 HA ASP A1083 17.537 15.307 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.947 15.875 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.696 15.154 -5.737 1.00 0.00 H new ATOM 247 N ASP A1084 16.521 15.146 -4.865 1.00 0.00 N ATOM 248 CA ASP A1084 15.621 14.410 -3.979 1.00 0.00 C ATOM 249 C ASP A1084 14.183 14.517 -4.464 1.00 0.00 C ATOM 250 O ASP A1084 13.274 13.914 -3.891 1.00 0.00 O ATOM 251 CB ASP A1084 15.724 14.905 -2.536 1.00 0.00 C ATOM 252 CG ASP A1084 16.776 14.163 -1.740 1.00 0.00 C ATOM 253 OD1 ASP A1084 16.505 13.020 -1.314 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.872 14.720 -1.528 1.00 0.00 O ATOM 0 H ASP A1084 16.678 16.118 -4.598 1.00 0.00 H new ATOM 0 HA ASP A1084 15.927 13.364 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.958 15.970 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.756 14.792 -2.047 1.00 0.00 H new ATOM 259 N GLU A1085 13.980 15.299 -5.514 1.00 0.00 N ATOM 260 CA GLU A1085 12.682 15.401 -6.159 1.00 0.00 C ATOM 261 C GLU A1085 12.637 14.430 -7.325 1.00 0.00 C ATOM 262 O GLU A1085 13.675 14.096 -7.899 1.00 0.00 O ATOM 263 CB GLU A1085 12.436 16.822 -6.671 1.00 0.00 C ATOM 264 CG GLU A1085 12.477 17.888 -5.596 1.00 0.00 C ATOM 265 CD GLU A1085 12.305 19.282 -6.166 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.015 19.628 -7.136 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.454 20.036 -5.651 1.00 0.00 O ATOM 0 H GLU A1085 14.705 15.876 -5.939 1.00 0.00 H new ATOM 0 HA GLU A1085 11.906 15.160 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.184 17.057 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.464 16.855 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.691 17.696 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.427 17.829 -5.064 1.00 0.00 H new ATOM 274 N LEU A1086 11.454 13.973 -7.681 1.00 0.00 N ATOM 275 CA LEU A1086 11.336 13.036 -8.780 1.00 0.00 C ATOM 276 C LEU A1086 10.982 13.746 -10.075 1.00 0.00 C ATOM 277 O LEU A1086 10.128 14.637 -10.109 1.00 0.00 O ATOM 278 CB LEU A1086 10.311 11.947 -8.490 1.00 0.00 C ATOM 279 CG LEU A1086 10.170 10.911 -9.606 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.501 10.223 -9.871 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.111 9.891 -9.256 1.00 0.00 C ATOM 0 H LEU A1086 10.574 14.229 -7.234 1.00 0.00 H new ATOM 0 HA LEU A1086 12.312 12.564 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.590 11.437 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.341 12.413 -8.316 1.00 0.00 H new ATOM 0 HG LEU A1086 9.863 11.430 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.379 9.490 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.241 10.965 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.838 9.721 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.026 9.163 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.388 9.380 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.153 10.393 -9.118 1.00 0.00 H new ATOM 293 N THR A1087 11.644 13.326 -11.139 1.00 0.00 N ATOM 294 CA THR A1087 11.404 13.862 -12.462 1.00 0.00 C ATOM 295 C THR A1087 10.626 12.838 -13.272 1.00 0.00 C ATOM 296 O THR A1087 11.050 11.691 -13.403 1.00 0.00 O ATOM 297 CB THR A1087 12.727 14.191 -13.185 1.00 0.00 C ATOM 298 OG1 THR A1087 13.674 14.716 -12.248 1.00 0.00 O ATOM 299 CG2 THR A1087 12.505 15.205 -14.302 1.00 0.00 C ATOM 0 H THR A1087 12.363 12.603 -11.107 1.00 0.00 H new ATOM 0 HA THR A1087 10.835 14.787 -12.365 1.00 0.00 H new ATOM 0 HB THR A1087 13.111 13.270 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.513 14.922 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.454 15.418 -14.794 1.00 0.00 H new ATOM 0 HG22 THR A1087 11.803 14.797 -15.029 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.099 16.126 -13.882 1.00 0.00 H new ATOM 307 N PHE A1088 9.481 13.245 -13.784 1.00 0.00 N ATOM 308 CA PHE A1088 8.614 12.340 -14.520 1.00 0.00 C ATOM 309 C PHE A1088 7.793 13.106 -15.541 1.00 0.00 C ATOM 310 O PHE A1088 7.622 14.318 -15.418 1.00 0.00 O ATOM 311 CB PHE A1088 7.680 11.586 -13.560 1.00 0.00 C ATOM 312 CG PHE A1088 6.838 12.477 -12.683 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.722 13.127 -13.191 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.157 12.650 -11.348 1.00 0.00 C ATOM 315 CE1 PHE A1088 4.945 13.936 -12.384 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.386 13.458 -10.535 1.00 0.00 C ATOM 317 CZ PHE A1088 5.276 14.102 -11.055 1.00 0.00 C ATOM 0 H PHE A1088 9.127 14.198 -13.705 1.00 0.00 H new ATOM 0 HA PHE A1088 9.241 11.616 -15.041 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.021 10.943 -14.144 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.280 10.934 -12.925 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.457 12.999 -14.230 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.020 12.147 -10.936 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.080 14.437 -12.793 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.649 13.587 -9.495 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.670 14.733 -10.421 1.00 0.00 H new ATOM 327 N ILE A1089 7.284 12.406 -16.542 1.00 0.00 N ATOM 328 CA ILE A1089 6.369 13.015 -17.495 1.00 0.00 C ATOM 329 C ILE A1089 5.038 12.277 -17.476 1.00 0.00 C ATOM 330 O ILE A1089 4.926 11.196 -16.874 1.00 0.00 O ATOM 331 CB ILE A1089 6.928 13.057 -18.945 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.836 11.689 -19.644 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.366 13.563 -18.946 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.786 10.640 -19.116 1.00 0.00 C ATOM 0 H ILE A1089 7.487 11.422 -16.716 1.00 0.00 H new ATOM 0 HA ILE A1089 6.234 14.050 -17.182 1.00 0.00 H new ATOM 0 HB ILE A1089 6.306 13.750 -19.512 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.816 11.316 -19.548 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.026 11.828 -20.708 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.743 13.586 -19.969 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.399 14.568 -18.524 1.00 0.00 H new ATOM 0 HG23 ILE A1089 8.986 12.897 -18.346 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.647 9.712 -19.670 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.813 10.985 -19.237 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.584 10.465 -18.059 1.00 0.00 H new ATOM 346 N GLU A1090 4.036 12.858 -18.121 1.00 0.00 N ATOM 347 CA GLU A1090 2.697 12.288 -18.138 1.00 0.00 C ATOM 348 C GLU A1090 2.733 10.856 -18.660 1.00 0.00 C ATOM 349 O GLU A1090 3.114 10.610 -19.808 1.00 0.00 O ATOM 350 CB GLU A1090 1.753 13.112 -19.020 1.00 0.00 C ATOM 351 CG GLU A1090 1.992 14.613 -18.975 1.00 0.00 C ATOM 352 CD GLU A1090 2.999 15.067 -20.013 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.214 15.001 -19.736 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.573 15.479 -21.113 1.00 0.00 O ATOM 0 H GLU A1090 4.127 13.730 -18.643 1.00 0.00 H new ATOM 0 HA GLU A1090 2.326 12.299 -17.113 1.00 0.00 H new ATOM 0 HB2 GLU A1090 1.852 12.773 -20.051 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.726 12.912 -18.716 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.048 15.134 -19.136 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.345 14.893 -17.983 1.00 0.00 H new ATOM 361 N GLY A1091 2.360 9.918 -17.810 1.00 0.00 N ATOM 362 CA GLY A1091 2.274 8.537 -18.234 1.00 0.00 C ATOM 363 C GLY A1091 3.201 7.621 -17.467 1.00 0.00 C ATOM 364 O GLY A1091 3.282 6.430 -17.765 1.00 0.00 O ATOM 0 H GLY A1091 2.115 10.085 -16.834 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.248 8.190 -18.113 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.509 8.474 -19.297 1.00 0.00 H new ATOM 368 N GLU A1092 3.897 8.155 -16.477 1.00 0.00 N ATOM 369 CA GLU A1092 4.758 7.326 -15.648 1.00 0.00 C ATOM 370 C GLU A1092 4.040 6.923 -14.366 1.00 0.00 C ATOM 371 O GLU A1092 3.344 7.730 -13.748 1.00 0.00 O ATOM 372 CB GLU A1092 6.076 8.038 -15.336 1.00 0.00 C ATOM 373 CG GLU A1092 6.901 8.319 -16.582 1.00 0.00 C ATOM 374 CD GLU A1092 8.335 8.705 -16.281 1.00 0.00 C ATOM 375 OE1 GLU A1092 9.175 7.793 -16.134 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.635 9.914 -16.226 1.00 0.00 O ATOM 0 H GLU A1092 3.884 9.144 -16.229 1.00 0.00 H new ATOM 0 HA GLU A1092 4.995 6.420 -16.207 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.865 8.978 -14.826 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.661 7.427 -14.649 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.897 7.434 -17.218 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.428 9.121 -17.148 1.00 0.00 H new ATOM 383 N VAL A1093 4.184 5.662 -13.991 1.00 0.00 N ATOM 384 CA VAL A1093 3.563 5.153 -12.782 1.00 0.00 C ATOM 385 C VAL A1093 4.505 5.333 -11.602 1.00 0.00 C ATOM 386 O VAL A1093 5.702 5.087 -11.713 1.00 0.00 O ATOM 387 CB VAL A1093 3.198 3.662 -12.937 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.633 3.090 -11.646 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.214 3.470 -14.080 1.00 0.00 C ATOM 0 H VAL A1093 4.727 4.972 -14.509 1.00 0.00 H new ATOM 0 HA VAL A1093 2.646 5.715 -12.604 1.00 0.00 H new ATOM 0 HB VAL A1093 4.114 3.119 -13.168 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.387 2.038 -11.791 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.374 3.183 -10.852 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.733 3.638 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.968 2.412 -14.175 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.306 4.037 -13.877 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.662 3.823 -15.009 1.00 0.00 H new ATOM 399 N ILE A1094 3.965 5.781 -10.484 1.00 0.00 N ATOM 400 CA ILE A1094 4.752 5.971 -9.275 1.00 0.00 C ATOM 401 C ILE A1094 4.105 5.226 -8.117 1.00 0.00 C ATOM 402 O ILE A1094 2.888 5.248 -7.957 1.00 0.00 O ATOM 403 CB ILE A1094 4.883 7.464 -8.887 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.452 8.291 -10.041 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.755 7.620 -7.648 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.568 9.766 -9.722 1.00 0.00 C ATOM 0 H ILE A1094 2.979 6.022 -10.386 1.00 0.00 H new ATOM 0 HA ILE A1094 5.749 5.582 -9.480 1.00 0.00 H new ATOM 0 HB ILE A1094 3.883 7.837 -8.664 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.437 7.905 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.816 8.165 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.836 8.676 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.306 7.077 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.748 7.219 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A1094 5.978 10.293 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.582 10.166 -9.488 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.228 9.902 -8.865 1.00 0.00 H new ATOM 418 N ILE A1095 4.913 4.559 -7.318 1.00 0.00 N ATOM 419 CA ILE A1095 4.407 3.909 -6.128 1.00 0.00 C ATOM 420 C ILE A1095 4.706 4.760 -4.908 1.00 0.00 C ATOM 421 O ILE A1095 5.864 5.073 -4.630 1.00 0.00 O ATOM 422 CB ILE A1095 5.001 2.500 -5.943 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.727 1.653 -7.188 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.423 1.839 -4.699 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.107 0.199 -7.041 1.00 0.00 C ATOM 0 H ILE A1095 5.916 4.454 -7.470 1.00 0.00 H new ATOM 0 HA ILE A1095 3.329 3.799 -6.246 1.00 0.00 H new ATOM 0 HB ILE A1095 6.080 2.583 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.667 1.717 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.274 2.077 -8.030 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.853 0.844 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.661 2.442 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.341 1.757 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.881 -0.331 -7.966 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.173 0.121 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.541 -0.244 -6.221 1.00 0.00 H new ATOM 437 N VAL A1096 3.650 5.152 -4.212 1.00 0.00 N ATOM 438 CA VAL A1096 3.763 5.972 -3.018 1.00 0.00 C ATOM 439 C VAL A1096 4.381 5.172 -1.875 1.00 0.00 C ATOM 440 O VAL A1096 3.786 4.214 -1.377 1.00 0.00 O ATOM 441 CB VAL A1096 2.377 6.513 -2.593 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.469 7.300 -1.290 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.788 7.376 -3.698 1.00 0.00 C ATOM 0 H VAL A1096 2.691 4.910 -4.460 1.00 0.00 H new ATOM 0 HA VAL A1096 4.413 6.816 -3.249 1.00 0.00 H new ATOM 0 HB VAL A1096 1.718 5.662 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.480 7.668 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.847 6.652 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.146 8.144 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.813 7.750 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.453 8.217 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.675 6.780 -4.604 1.00 0.00 H new ATOM 453 N THR A1097 5.580 5.562 -1.472 1.00 0.00 N ATOM 454 CA THR A1097 6.305 4.848 -0.438 1.00 0.00 C ATOM 455 C THR A1097 6.359 5.666 0.858 1.00 0.00 C ATOM 456 O THR A1097 6.657 5.135 1.929 1.00 0.00 O ATOM 457 CB THR A1097 7.737 4.508 -0.909 1.00 0.00 C ATOM 458 OG1 THR A1097 8.448 5.709 -1.230 1.00 0.00 O ATOM 459 CG2 THR A1097 7.708 3.603 -2.137 1.00 0.00 C ATOM 0 H THR A1097 6.072 6.373 -1.848 1.00 0.00 H new ATOM 0 HA THR A1097 5.772 3.918 -0.239 1.00 0.00 H new ATOM 0 HB THR A1097 8.241 3.986 -0.096 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.355 5.483 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.728 3.379 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.191 2.675 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.184 4.108 -2.949 1.00 0.00 H new ATOM 467 N GLY A1098 6.057 6.956 0.753 1.00 0.00 N ATOM 468 CA GLY A1098 6.068 7.829 1.911 1.00 0.00 C ATOM 469 C GLY A1098 5.358 9.144 1.642 1.00 0.00 C ATOM 470 O GLY A1098 4.870 9.373 0.535 1.00 0.00 O ATOM 0 H GLY A1098 5.803 7.415 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.589 7.324 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.099 8.028 2.205 1.00 0.00 H new ATOM 474 N GLU A1099 5.300 10.008 2.643 1.00 0.00 N ATOM 475 CA GLU A1099 4.626 11.299 2.512 1.00 0.00 C ATOM 476 C GLU A1099 5.389 12.385 3.260 1.00 0.00 C ATOM 477 O GLU A1099 5.928 12.147 4.341 1.00 0.00 O ATOM 478 CB GLU A1099 3.199 11.205 3.053 1.00 0.00 C ATOM 479 CG GLU A1099 2.257 10.427 2.153 1.00 0.00 C ATOM 480 CD GLU A1099 0.874 10.273 2.742 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.180 11.291 2.919 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.472 9.127 3.032 1.00 0.00 O ATOM 0 H GLU A1099 5.712 9.841 3.561 1.00 0.00 H new ATOM 0 HA GLU A1099 4.594 11.561 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.222 10.733 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.805 12.212 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.182 10.933 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.677 9.439 1.963 1.00 0.00 H new ATOM 489 N GLU A1100 5.433 13.572 2.674 1.00 0.00 N ATOM 490 CA GLU A1100 6.068 14.727 3.302 1.00 0.00 C ATOM 491 C GLU A1100 5.019 15.739 3.710 1.00 0.00 C ATOM 492 O GLU A1100 4.930 16.138 4.870 1.00 0.00 O ATOM 493 CB GLU A1100 7.051 15.392 2.336 1.00 0.00 C ATOM 494 CG GLU A1100 8.396 14.702 2.256 1.00 0.00 C ATOM 495 CD GLU A1100 9.197 14.864 3.530 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.615 16.000 3.832 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.405 13.862 4.243 1.00 0.00 O ATOM 0 H GLU A1100 5.033 13.764 1.756 1.00 0.00 H new ATOM 0 HA GLU A1100 6.608 14.380 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.607 15.416 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.202 16.427 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.247 13.641 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.962 15.109 1.418 1.00 0.00 H new ATOM 504 N ASP A1101 4.217 16.130 2.740 1.00 0.00 N ATOM 505 CA ASP A1101 3.214 17.156 2.938 1.00 0.00 C ATOM 506 C ASP A1101 1.911 16.727 2.265 1.00 0.00 C ATOM 507 O ASP A1101 1.820 15.606 1.769 1.00 0.00 O ATOM 508 CB ASP A1101 3.730 18.489 2.370 1.00 0.00 C ATOM 509 CG ASP A1101 2.854 19.671 2.728 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.974 20.192 3.854 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.032 20.074 1.886 1.00 0.00 O ATOM 0 H ASP A1101 4.242 15.747 1.795 1.00 0.00 H new ATOM 0 HA ASP A1101 3.017 17.294 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.739 18.668 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.798 18.412 1.285 1.00 0.00 H new ATOM 516 N GLN A1102 0.921 17.603 2.223 1.00 0.00 N ATOM 517 CA GLN A1102 -0.366 17.276 1.630 1.00 0.00 C ATOM 518 C GLN A1102 -0.260 17.278 0.110 1.00 0.00 C ATOM 519 O GLN A1102 -1.037 16.624 -0.583 1.00 0.00 O ATOM 520 CB GLN A1102 -1.426 18.282 2.085 1.00 0.00 C ATOM 521 CG GLN A1102 -1.066 19.724 1.758 1.00 0.00 C ATOM 522 CD GLN A1102 -2.132 20.715 2.177 1.00 0.00 C ATOM 523 OE1 GLN A1102 -2.859 20.494 3.146 1.00 0.00 O ATOM 524 NE2 GLN A1102 -2.220 21.821 1.456 1.00 0.00 N ATOM 0 H GLN A1102 0.984 18.551 2.594 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.661 16.280 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.377 18.036 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.570 18.186 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -0.128 19.978 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.896 19.815 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -1.597 21.962 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -2.911 22.532 1.695 1.00 0.00 H new ATOM 533 N GLU A1103 0.724 18.004 -0.399 1.00 0.00 N ATOM 534 CA GLU A1103 0.893 18.148 -1.831 1.00 0.00 C ATOM 535 C GLU A1103 2.266 17.652 -2.266 1.00 0.00 C ATOM 536 O GLU A1103 2.695 17.874 -3.401 1.00 0.00 O ATOM 537 CB GLU A1103 0.669 19.607 -2.224 1.00 0.00 C ATOM 538 CG GLU A1103 1.280 20.594 -1.242 1.00 0.00 C ATOM 539 CD GLU A1103 0.583 21.934 -1.257 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.531 22.038 -0.695 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.138 22.890 -1.834 1.00 0.00 O ATOM 0 H GLU A1103 1.416 18.501 0.161 1.00 0.00 H new ATOM 0 HA GLU A1103 0.154 17.534 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.093 19.779 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.402 19.796 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.234 20.176 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.334 20.734 -1.481 1.00 0.00 H new ATOM 548 N TRP A1104 2.926 16.942 -1.358 1.00 0.00 N ATOM 549 CA TRP A1104 4.268 16.425 -1.589 1.00 0.00 C ATOM 550 C TRP A1104 4.419 15.039 -0.983 1.00 0.00 C ATOM 551 O TRP A1104 4.502 14.889 0.239 1.00 0.00 O ATOM 552 CB TRP A1104 5.312 17.366 -0.991 1.00 0.00 C ATOM 553 CG TRP A1104 5.407 18.666 -1.717 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.706 19.807 -1.455 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.246 18.950 -2.841 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.059 20.787 -2.349 1.00 0.00 N ATOM 557 CE2 TRP A1104 6.005 20.284 -3.210 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.175 18.203 -3.569 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.668 20.889 -4.276 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.828 18.801 -4.626 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.570 20.133 -4.972 1.00 0.00 C ATOM 0 H TRP A1104 2.545 16.709 -0.441 1.00 0.00 H new ATOM 0 HA TRP A1104 4.425 16.358 -2.666 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.066 17.556 0.054 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.286 16.876 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.981 19.922 -0.662 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.681 21.734 -2.371 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.378 17.175 -3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.476 21.918 -4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.549 18.234 -5.195 1.00 0.00 H new ATOM 0 HH2 TRP A1104 8.095 20.573 -5.807 1.00 0.00 H new ATOM 572 N TRP A1105 4.448 14.031 -1.834 1.00 0.00 N ATOM 573 CA TRP A1105 4.588 12.659 -1.377 1.00 0.00 C ATOM 574 C TRP A1105 5.934 12.094 -1.790 1.00 0.00 C ATOM 575 O TRP A1105 6.638 12.681 -2.607 1.00 0.00 O ATOM 576 CB TRP A1105 3.457 11.787 -1.927 1.00 0.00 C ATOM 577 CG TRP A1105 2.124 12.086 -1.310 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.870 12.969 -0.303 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.865 11.500 -1.655 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.537 12.968 0.003 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.106 12.075 -0.811 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.461 10.546 -2.590 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.450 11.728 -0.877 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.876 10.204 -2.657 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.818 10.794 -1.803 1.00 0.00 C ATOM 0 H TRP A1105 4.377 14.135 -2.846 1.00 0.00 H new ATOM 0 HA TRP A1105 4.528 12.657 -0.289 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.390 11.929 -3.006 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.701 10.738 -1.758 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.615 13.582 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.094 13.540 0.722 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.180 10.083 -3.249 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.177 12.181 -0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.201 9.470 -3.379 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.856 10.504 -1.879 1.00 0.00 H new ATOM 596 N ILE A1106 6.276 10.958 -1.215 1.00 0.00 N ATOM 597 CA ILE A1106 7.526 10.283 -1.506 1.00 0.00 C ATOM 598 C ILE A1106 7.232 8.929 -2.120 1.00 0.00 C ATOM 599 O ILE A1106 6.330 8.218 -1.674 1.00 0.00 O ATOM 600 CB ILE A1106 8.386 10.098 -0.233 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.822 11.458 0.305 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.601 9.219 -0.514 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.586 11.373 1.605 1.00 0.00 C ATOM 0 H ILE A1106 5.693 10.475 -0.531 1.00 0.00 H new ATOM 0 HA ILE A1106 8.091 10.901 -2.204 1.00 0.00 H new ATOM 0 HB ILE A1106 7.779 9.597 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.443 11.953 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.940 12.082 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.187 9.106 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.269 8.239 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.216 9.684 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.865 12.376 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.960 10.906 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.486 10.775 1.460 1.00 0.00 H new ATOM 615 N GLY A1107 7.961 8.588 -3.155 1.00 0.00 N ATOM 616 CA GLY A1107 7.745 7.325 -3.803 1.00 0.00 C ATOM 617 C GLY A1107 8.805 7.023 -4.821 1.00 0.00 C ATOM 618 O GLY A1107 9.869 7.637 -4.818 1.00 0.00 O ATOM 0 H GLY A1107 8.700 9.162 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.726 6.533 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.769 7.329 -4.288 1.00 0.00 H new ATOM 622 N HIS A1108 8.506 6.092 -5.701 1.00 0.00 N ATOM 623 CA HIS A1108 9.451 5.669 -6.718 1.00 0.00 C ATOM 624 C HIS A1108 8.711 5.352 -8.007 1.00 0.00 C ATOM 625 O HIS A1108 7.553 4.935 -7.972 1.00 0.00 O ATOM 626 CB HIS A1108 10.269 4.445 -6.248 1.00 0.00 C ATOM 627 CG HIS A1108 9.488 3.185 -5.967 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.584 2.494 -4.781 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.649 2.460 -6.744 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.838 1.408 -4.844 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.262 1.359 -6.026 1.00 0.00 N ATOM 0 H HIS A1108 7.608 5.609 -5.734 1.00 0.00 H new ATOM 0 HA HIS A1108 10.151 6.485 -6.898 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.017 4.221 -7.009 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.809 4.722 -5.342 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.145 2.778 -3.978 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.340 2.705 -7.749 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.720 0.679 -4.056 1.00 0.00 H new ATOM 640 N ILE A1109 9.367 5.570 -9.134 1.00 0.00 N ATOM 641 CA ILE A1109 8.811 5.177 -10.417 1.00 0.00 C ATOM 642 C ILE A1109 8.651 3.663 -10.453 1.00 0.00 C ATOM 643 O ILE A1109 9.597 2.923 -10.173 1.00 0.00 O ATOM 644 CB ILE A1109 9.706 5.639 -11.595 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.694 7.164 -11.710 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.254 5.005 -12.904 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.371 7.733 -12.175 1.00 0.00 C ATOM 0 H ILE A1109 10.283 6.016 -9.187 1.00 0.00 H new ATOM 0 HA ILE A1109 7.840 5.660 -10.530 1.00 0.00 H new ATOM 0 HB ILE A1109 10.726 5.312 -11.393 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.942 7.594 -10.740 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.475 7.472 -12.405 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.898 5.345 -13.715 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.315 3.920 -12.823 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.224 5.295 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.442 8.819 -12.231 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.129 7.333 -13.160 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.588 7.457 -11.469 1.00 0.00 H new ATOM 659 N GLU A1110 7.448 3.214 -10.754 1.00 0.00 N ATOM 660 CA GLU A1110 7.164 1.796 -10.842 1.00 0.00 C ATOM 661 C GLU A1110 7.931 1.182 -12.005 1.00 0.00 C ATOM 662 O GLU A1110 7.802 1.615 -13.152 1.00 0.00 O ATOM 663 CB GLU A1110 5.655 1.561 -10.983 1.00 0.00 C ATOM 664 CG GLU A1110 5.301 0.181 -11.506 1.00 0.00 C ATOM 665 CD GLU A1110 3.854 -0.200 -11.289 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.499 -0.611 -10.163 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.072 -0.128 -12.256 1.00 0.00 O ATOM 0 H GLU A1110 6.647 3.816 -10.943 1.00 0.00 H new ATOM 0 HA GLU A1110 7.492 1.309 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.181 1.705 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.240 2.312 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.522 0.139 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.938 -0.557 -11.019 1.00 0.00 H new ATOM 674 N GLY A1111 8.736 0.178 -11.693 1.00 0.00 N ATOM 675 CA GLY A1111 9.588 -0.435 -12.686 1.00 0.00 C ATOM 676 C GLY A1111 10.992 0.135 -12.660 1.00 0.00 C ATOM 677 O GLY A1111 11.957 -0.572 -12.936 1.00 0.00 O ATOM 0 H GLY A1111 8.813 -0.225 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.630 -1.510 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.155 -0.288 -13.676 1.00 0.00 H new ATOM 681 N GLN A1112 11.110 1.408 -12.307 1.00 0.00 N ATOM 682 CA GLN A1112 12.410 2.056 -12.196 1.00 0.00 C ATOM 683 C GLN A1112 12.644 2.522 -10.762 1.00 0.00 C ATOM 684 O GLN A1112 12.458 3.698 -10.442 1.00 0.00 O ATOM 685 CB GLN A1112 12.529 3.245 -13.162 1.00 0.00 C ATOM 686 CG GLN A1112 12.607 2.854 -14.631 1.00 0.00 C ATOM 687 CD GLN A1112 11.250 2.753 -15.308 1.00 0.00 C ATOM 688 OE1 GLN A1112 10.239 2.453 -14.686 1.00 0.00 O ATOM 689 NE2 GLN A1112 11.228 3.002 -16.605 1.00 0.00 N ATOM 0 H GLN A1112 10.318 2.014 -12.092 1.00 0.00 H new ATOM 0 HA GLN A1112 13.172 1.325 -12.467 1.00 0.00 H new ATOM 0 HB2 GLN A1112 11.671 3.902 -13.018 1.00 0.00 H new ATOM 0 HB3 GLN A1112 13.418 3.820 -12.904 1.00 0.00 H new ATOM 0 HG2 GLN A1112 13.214 3.587 -15.161 1.00 0.00 H new ATOM 0 HG3 GLN A1112 13.118 1.895 -14.716 1.00 0.00 H new ATOM 0 HE21 GLN A1112 12.090 3.249 -17.092 1.00 0.00 H new ATOM 0 HE22 GLN A1112 10.349 2.947 -17.120 1.00 0.00 H new ATOM 698 N PRO A1113 13.079 1.606 -9.879 1.00 0.00 N ATOM 699 CA PRO A1113 13.220 1.892 -8.450 1.00 0.00 C ATOM 700 C PRO A1113 14.438 2.758 -8.126 1.00 0.00 C ATOM 701 O PRO A1113 14.705 3.049 -6.962 1.00 0.00 O ATOM 702 CB PRO A1113 13.360 0.505 -7.827 1.00 0.00 C ATOM 703 CG PRO A1113 13.957 -0.339 -8.900 1.00 0.00 C ATOM 704 CD PRO A1113 13.470 0.222 -10.208 1.00 0.00 C ATOM 0 HA PRO A1113 12.375 2.466 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.998 0.531 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.393 0.115 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A1113 15.046 -0.317 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.654 -1.380 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.251 0.198 -10.968 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.627 -0.349 -10.598 1.00 0.00 H new ATOM 712 N GLU A1114 15.186 3.154 -9.149 1.00 0.00 N ATOM 713 CA GLU A1114 16.298 4.080 -8.960 1.00 0.00 C ATOM 714 C GLU A1114 15.793 5.516 -9.050 1.00 0.00 C ATOM 715 O GLU A1114 16.489 6.461 -8.684 1.00 0.00 O ATOM 716 CB GLU A1114 17.407 3.845 -9.990 1.00 0.00 C ATOM 717 CG GLU A1114 18.256 2.605 -9.735 1.00 0.00 C ATOM 718 CD GLU A1114 17.491 1.309 -9.886 1.00 0.00 C ATOM 719 OE1 GLU A1114 17.149 0.948 -11.032 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.246 0.634 -8.863 1.00 0.00 O ATOM 0 H GLU A1114 15.045 2.851 -10.113 1.00 0.00 H new ATOM 0 HA GLU A1114 16.722 3.903 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.955 3.763 -10.979 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.059 4.718 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A1114 19.099 2.603 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.670 2.658 -8.728 1.00 0.00 H new ATOM 727 N ARG A1115 14.570 5.664 -9.536 1.00 0.00 N ATOM 728 CA ARG A1115 13.917 6.959 -9.605 1.00 0.00 C ATOM 729 C ARG A1115 12.970 7.130 -8.429 1.00 0.00 C ATOM 730 O ARG A1115 11.801 6.752 -8.514 1.00 0.00 O ATOM 731 CB ARG A1115 13.114 7.086 -10.898 1.00 0.00 C ATOM 732 CG ARG A1115 13.914 7.503 -12.118 1.00 0.00 C ATOM 733 CD ARG A1115 13.005 7.587 -13.333 1.00 0.00 C ATOM 734 NE ARG A1115 13.573 8.386 -14.415 1.00 0.00 N ATOM 735 CZ ARG A1115 12.837 9.136 -15.236 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.518 9.165 -15.107 1.00 0.00 N ATOM 737 NH2 ARG A1115 13.413 9.844 -16.199 1.00 0.00 N ATOM 0 H ARG A1115 14.006 4.892 -9.892 1.00 0.00 H new ATOM 0 HA ARG A1115 14.689 7.728 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.637 6.128 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.316 7.812 -10.741 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.387 8.469 -11.940 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.714 6.785 -12.301 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.803 6.580 -13.699 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.048 8.016 -13.035 1.00 0.00 H new ATOM 0 HE ARG A1115 14.584 8.370 -14.550 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.065 8.613 -14.379 1.00 0.00 H new ATOM 0 HH12 ARG A1115 10.957 9.739 -15.736 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.426 9.817 -16.316 1.00 0.00 H new ATOM 0 HH22 ARG A1115 12.843 10.415 -16.823 1.00 0.00 H new ATOM 751 N LYS A1116 13.462 7.684 -7.331 1.00 0.00 N ATOM 752 CA LYS A1116 12.609 7.915 -6.171 1.00 0.00 C ATOM 753 C LYS A1116 12.776 9.330 -5.662 1.00 0.00 C ATOM 754 O LYS A1116 13.724 10.022 -6.030 1.00 0.00 O ATOM 755 CB LYS A1116 12.926 6.956 -5.024 1.00 0.00 C ATOM 756 CG LYS A1116 13.288 5.553 -5.451 1.00 0.00 C ATOM 757 CD LYS A1116 13.358 4.606 -4.261 1.00 0.00 C ATOM 758 CE LYS A1116 14.588 4.851 -3.387 1.00 0.00 C ATOM 759 NZ LYS A1116 14.532 6.137 -2.641 1.00 0.00 N ATOM 0 H LYS A1116 14.432 7.979 -7.217 1.00 0.00 H new ATOM 0 HA LYS A1116 11.584 7.745 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.751 7.368 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.062 6.907 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.550 5.187 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.249 5.565 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.458 4.721 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.371 3.577 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.690 4.031 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.479 4.841 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 14.921 6.001 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.092 6.855 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 13.544 6.455 -2.571 1.00 0.00 H new ATOM 773 N GLY A1117 11.869 9.746 -4.798 1.00 0.00 N ATOM 774 CA GLY A1117 11.977 11.045 -4.186 1.00 0.00 C ATOM 775 C GLY A1117 10.624 11.662 -3.936 1.00 0.00 C ATOM 776 O GLY A1117 9.613 10.957 -3.909 1.00 0.00 O ATOM 0 H GLY A1117 11.056 9.202 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.517 10.958 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.563 11.702 -4.829 1.00 0.00 H new ATOM 780 N VAL A1118 10.602 12.970 -3.745 1.00 0.00 N ATOM 781 CA VAL A1118 9.354 13.678 -3.527 1.00 0.00 C ATOM 782 C VAL A1118 8.724 14.076 -4.855 1.00 0.00 C ATOM 783 O VAL A1118 9.419 14.466 -5.797 1.00 0.00 O ATOM 784 CB VAL A1118 9.538 14.932 -2.644 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.912 14.539 -1.225 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.584 15.868 -3.230 1.00 0.00 C ATOM 0 H VAL A1118 11.433 13.562 -3.737 1.00 0.00 H new ATOM 0 HA VAL A1118 8.692 12.992 -2.999 1.00 0.00 H new ATOM 0 HB VAL A1118 8.587 15.463 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.037 15.437 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.122 13.921 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.846 13.977 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.692 16.741 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.540 15.348 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.271 16.186 -4.225 1.00 0.00 H new ATOM 796 N PHE A1119 7.412 13.952 -4.931 1.00 0.00 N ATOM 797 CA PHE A1119 6.680 14.324 -6.126 1.00 0.00 C ATOM 798 C PHE A1119 5.399 15.060 -5.757 1.00 0.00 C ATOM 799 O PHE A1119 4.686 14.664 -4.830 1.00 0.00 O ATOM 800 CB PHE A1119 6.384 13.090 -6.998 1.00 0.00 C ATOM 801 CG PHE A1119 5.673 11.952 -6.307 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.379 11.033 -5.544 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.304 11.780 -6.452 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.732 9.975 -4.937 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.657 10.716 -5.849 1.00 0.00 C ATOM 806 CZ PHE A1119 4.375 9.815 -5.091 1.00 0.00 C ATOM 0 H PHE A1119 6.829 13.594 -4.174 1.00 0.00 H new ATOM 0 HA PHE A1119 7.301 15.000 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.781 13.406 -7.849 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.327 12.716 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.446 11.146 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.737 12.485 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.293 9.271 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.591 10.591 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.872 8.984 -4.619 1.00 0.00 H new ATOM 816 N PRO A1120 5.125 16.175 -6.449 1.00 0.00 N ATOM 817 CA PRO A1120 3.923 16.970 -6.218 1.00 0.00 C ATOM 818 C PRO A1120 2.655 16.191 -6.549 1.00 0.00 C ATOM 819 O PRO A1120 2.467 15.723 -7.675 1.00 0.00 O ATOM 820 CB PRO A1120 4.085 18.176 -7.151 1.00 0.00 C ATOM 821 CG PRO A1120 5.092 17.761 -8.169 1.00 0.00 C ATOM 822 CD PRO A1120 5.980 16.749 -7.502 1.00 0.00 C ATOM 0 HA PRO A1120 3.819 17.256 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.137 18.438 -7.621 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.422 19.055 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.605 17.332 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.671 18.618 -8.514 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.316 15.987 -8.205 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.873 17.214 -7.084 1.00 0.00 H new ATOM 830 N VAL A1121 1.789 16.067 -5.555 1.00 0.00 N ATOM 831 CA VAL A1121 0.561 15.287 -5.675 1.00 0.00 C ATOM 832 C VAL A1121 -0.363 15.869 -6.747 1.00 0.00 C ATOM 833 O VAL A1121 -1.171 15.159 -7.343 1.00 0.00 O ATOM 834 CB VAL A1121 -0.178 15.236 -4.319 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.392 14.326 -4.376 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.767 14.786 -3.220 1.00 0.00 C ATOM 0 H VAL A1121 1.915 16.503 -4.642 1.00 0.00 H new ATOM 0 HA VAL A1121 0.837 14.275 -5.972 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.530 16.243 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.885 14.316 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.087 14.693 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.077 13.315 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.232 14.755 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.150 13.793 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.598 15.487 -3.145 1.00 0.00 H new ATOM 846 N SER A1122 -0.205 17.157 -7.015 1.00 0.00 N ATOM 847 CA SER A1122 -1.036 17.857 -7.984 1.00 0.00 C ATOM 848 C SER A1122 -0.737 17.404 -9.418 1.00 0.00 C ATOM 849 O SER A1122 -1.452 17.762 -10.356 1.00 0.00 O ATOM 850 CB SER A1122 -0.785 19.355 -7.859 1.00 0.00 C ATOM 851 OG SER A1122 -0.610 19.725 -6.500 1.00 0.00 O ATOM 0 H SER A1122 0.500 17.744 -6.569 1.00 0.00 H new ATOM 0 HA SER A1122 -2.080 17.625 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A1122 0.101 19.629 -8.432 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.623 19.906 -8.285 1.00 0.00 H new ATOM 0 HG SER A1122 -0.448 20.690 -6.442 1.00 0.00 H new ATOM 857 N PHE A1123 0.325 16.622 -9.582 1.00 0.00 N ATOM 858 CA PHE A1123 0.762 16.191 -10.905 1.00 0.00 C ATOM 859 C PHE A1123 0.469 14.711 -11.144 1.00 0.00 C ATOM 860 O PHE A1123 0.775 14.178 -12.214 1.00 0.00 O ATOM 861 CB PHE A1123 2.263 16.450 -11.075 1.00 0.00 C ATOM 862 CG PHE A1123 2.629 17.902 -11.250 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.354 18.835 -10.263 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.250 18.328 -12.411 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.692 20.165 -10.433 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.589 19.652 -12.587 1.00 0.00 C ATOM 867 CZ PHE A1123 3.311 20.574 -11.598 1.00 0.00 C ATOM 0 H PHE A1123 0.899 16.274 -8.814 1.00 0.00 H new ATOM 0 HA PHE A1123 0.202 16.770 -11.639 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.788 16.058 -10.204 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.620 15.891 -11.940 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.870 18.520 -9.350 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.472 17.613 -13.190 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.472 20.883 -9.656 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.073 19.969 -13.499 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.577 21.612 -11.735 1.00 0.00 H new ATOM 877 N VAL A1124 -0.128 14.045 -10.163 1.00 0.00 N ATOM 878 CA VAL A1124 -0.321 12.603 -10.250 1.00 0.00 C ATOM 879 C VAL A1124 -1.784 12.205 -10.061 1.00 0.00 C ATOM 880 O VAL A1124 -2.529 12.853 -9.331 1.00 0.00 O ATOM 881 CB VAL A1124 0.556 11.850 -9.222 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.033 12.130 -9.463 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.170 12.219 -7.796 1.00 0.00 C ATOM 0 H VAL A1124 -0.483 14.474 -9.308 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.015 12.316 -11.256 1.00 0.00 H new ATOM 0 HB VAL A1124 0.381 10.782 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.630 11.590 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.307 11.801 -10.466 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.221 13.199 -9.368 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.803 11.675 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.304 13.291 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.873 11.956 -7.622 1.00 0.00 H new ATOM 893 N HIS A1125 -2.182 11.142 -10.747 1.00 0.00 N ATOM 894 CA HIS A1125 -3.540 10.614 -10.667 1.00 0.00 C ATOM 895 C HIS A1125 -3.528 9.307 -9.880 1.00 0.00 C ATOM 896 O HIS A1125 -2.963 8.317 -10.325 1.00 0.00 O ATOM 897 CB HIS A1125 -4.065 10.378 -12.081 1.00 0.00 C ATOM 898 CG HIS A1125 -5.493 10.773 -12.297 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.973 12.037 -12.042 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.531 10.076 -12.805 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.241 12.100 -12.393 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.610 10.922 -12.861 1.00 0.00 N ATOM 0 H HIS A1125 -1.572 10.620 -11.376 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.191 11.325 -10.158 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.440 10.931 -12.782 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.955 9.321 -12.322 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.515 9.041 -13.112 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.874 12.971 -12.311 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.539 10.682 -13.206 1.00 0.00 H new ATOM 911 N ILE A1126 -4.153 9.306 -8.719 1.00 0.00 N ATOM 912 CA ILE A1126 -4.011 8.201 -7.772 1.00 0.00 C ATOM 913 C ILE A1126 -4.911 7.021 -8.120 1.00 0.00 C ATOM 914 O ILE A1126 -6.070 7.191 -8.497 1.00 0.00 O ATOM 915 CB ILE A1126 -4.324 8.676 -6.341 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.568 9.973 -6.051 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.961 7.599 -5.325 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.796 10.511 -4.663 1.00 0.00 C ATOM 0 H ILE A1126 -4.767 10.056 -8.402 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.976 7.864 -7.834 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.394 8.867 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.501 9.801 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.868 10.728 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.190 7.955 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.536 6.696 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.897 7.375 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.227 11.432 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.857 10.717 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.469 9.775 -3.929 1.00 0.00 H new ATOM 930 N LEU A1127 -4.346 5.828 -7.992 1.00 0.00 N ATOM 931 CA LEU A1127 -5.061 4.585 -8.247 1.00 0.00 C ATOM 932 C LEU A1127 -5.360 3.893 -6.926 1.00 0.00 C ATOM 933 O LEU A1127 -6.500 3.527 -6.647 1.00 0.00 O ATOM 934 CB LEU A1127 -4.207 3.634 -9.098 1.00 0.00 C ATOM 935 CG LEU A1127 -3.142 4.299 -9.969 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.268 3.244 -10.626 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.782 5.191 -11.025 1.00 0.00 C ATOM 0 H LEU A1127 -3.376 5.695 -7.707 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.983 4.824 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.715 2.924 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.871 3.059 -9.744 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.519 4.925 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.513 3.730 -11.244 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.778 2.647 -9.857 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.885 2.597 -11.249 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.003 5.653 -11.632 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.431 4.591 -11.663 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.370 5.968 -10.537 1.00 0.00 H new ATOM 949 N SER A1128 -4.311 3.729 -6.117 1.00 0.00 N ATOM 950 CA SER A1128 -4.387 2.947 -4.884 1.00 0.00 C ATOM 951 C SER A1128 -4.878 1.533 -5.202 1.00 0.00 C ATOM 952 O SER A1128 -5.662 0.932 -4.461 1.00 0.00 O ATOM 953 CB SER A1128 -5.294 3.635 -3.855 1.00 0.00 C ATOM 954 OG SER A1128 -5.025 3.166 -2.543 1.00 0.00 O ATOM 0 H SER A1128 -3.392 4.132 -6.297 1.00 0.00 H new ATOM 0 HA SER A1128 -3.392 2.879 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A1128 -5.144 4.714 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A1128 -6.339 3.449 -4.104 1.00 0.00 H new ATOM 0 HG SER A1128 -5.103 2.189 -2.522 1.00 0.00 H new ATOM 960 N ASP A1129 -4.406 1.019 -6.327 1.00 0.00 N ATOM 961 CA ASP A1129 -4.771 -0.301 -6.804 1.00 0.00 C ATOM 962 C ASP A1129 -3.551 -0.953 -7.423 1.00 0.00 C ATOM 963 O ASP A1129 -3.108 -2.004 -6.923 1.00 0.00 O ATOM 964 CB ASP A1129 -5.898 -0.207 -7.836 1.00 0.00 C ATOM 965 CG ASP A1129 -6.193 -1.534 -8.515 1.00 0.00 C ATOM 966 OD1 ASP A1129 -6.956 -2.345 -7.946 1.00 0.00 O ATOM 967 OD2 ASP A1129 -5.682 -1.763 -9.632 1.00 0.00 O ATOM 968 OXT ASP A1129 -3.006 -0.369 -8.378 1.00 0.00 O ATOM 0 H ASP A1129 -3.754 1.512 -6.938 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.127 -0.902 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -6.803 0.153 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -5.630 0.530 -8.593 1.00 0.00 H new TER 973 ASP A1129