USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 635 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+ 173:sc= 1.03 (180deg=0.906) USER MOD Single : A1074 THR OG1 : rot 142:sc= 1.79 USER MOD Single : A1076 TYR OH : rot -34:sc= -1.89 USER MOD Single : A1078 CYS SG : rot 89:sc= -0.078 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A1082 ASN : amide:sc= -0.536! C(o=-0.54!,f=-4.5!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.873 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A1108 HIS : no HD1:sc= -0.0732 X(o=-0.073,f=-0.0037) USER MOD Single : A1112 GLN : amide:sc= -2.55! C(o=-2.6!,f=-10!) USER MOD Single : A1116 LYS NZ :NH3+ -148:sc= 1.21 (180deg=-0.503) USER MOD Single : A1122 SER OG : rot -78:sc= -1.91! USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0.593 USER MOD Single : B1583 MET CE :methyl 137:sc= -0.224 (180deg=-2.2!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 176:sc= 0.879 (180deg=0.864) USER MOD Single : B1587 SER OG : rot 111:sc= 0.473 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00786) USER MOD Single : B1592 LYS NZ :NH3+ 179:sc= 0.435 (180deg=0.358) USER MOD Single : B1593 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.365) USER MOD Single : B1596 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 2.872 -2.263 -1.146 1.00 0.00 N ATOM 2 CA VAL A1069 2.363 -0.932 -0.751 1.00 0.00 C ATOM 3 C VAL A1069 3.492 0.087 -0.782 1.00 0.00 C ATOM 4 O VAL A1069 4.652 -0.271 -0.977 1.00 0.00 O ATOM 5 CB VAL A1069 1.742 -0.954 0.665 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.539 -1.881 0.708 1.00 0.00 C ATOM 7 CG2 VAL A1069 2.770 -1.370 1.707 1.00 0.00 C ATOM 0 HA VAL A1069 1.586 -0.655 -1.464 1.00 0.00 H new ATOM 0 HB VAL A1069 1.410 0.057 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A1069 0.117 -1.882 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.213 -1.535 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A1069 0.849 -2.892 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.306 -1.377 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A1069 3.141 -2.368 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A1069 3.600 -0.664 1.701 1.00 0.00 H new ATOM 19 N ARG A1070 3.157 1.356 -0.615 1.00 0.00 N ATOM 20 CA ARG A1070 4.172 2.389 -0.517 1.00 0.00 C ATOM 21 C ARG A1070 4.503 2.633 0.947 1.00 0.00 C ATOM 22 O ARG A1070 3.622 2.921 1.759 1.00 0.00 O ATOM 23 CB ARG A1070 3.730 3.686 -1.197 1.00 0.00 C ATOM 24 CG ARG A1070 4.814 4.754 -1.206 1.00 0.00 C ATOM 25 CD ARG A1070 4.502 5.868 -2.193 1.00 0.00 C ATOM 26 NE ARG A1070 4.373 5.363 -3.558 1.00 0.00 N ATOM 27 CZ ARG A1070 5.088 5.802 -4.593 1.00 0.00 C ATOM 28 NH1 ARG A1070 6.014 6.742 -4.420 1.00 0.00 N ATOM 29 NH2 ARG A1070 4.875 5.294 -5.800 1.00 0.00 N ATOM 0 H ARG A1070 2.197 1.693 -0.545 1.00 0.00 H new ATOM 0 HA ARG A1070 5.065 2.045 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.434 3.469 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.849 4.075 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.919 5.174 -0.206 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.771 4.299 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.577 6.365 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A1070 5.292 6.618 -2.156 1.00 0.00 H new ATOM 0 HE ARG A1070 3.690 4.625 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A1070 6.179 7.130 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A1070 6.558 7.074 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A1070 4.167 4.572 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A1070 5.419 5.626 -6.596 1.00 0.00 H new ATOM 43 N ARG A1071 5.772 2.505 1.272 1.00 0.00 N ATOM 44 CA ARG A1071 6.225 2.546 2.649 1.00 0.00 C ATOM 45 C ARG A1071 7.087 3.780 2.877 1.00 0.00 C ATOM 46 O ARG A1071 7.923 4.120 2.040 1.00 0.00 O ATOM 47 CB ARG A1071 7.022 1.272 2.923 1.00 0.00 C ATOM 48 CG ARG A1071 7.205 0.916 4.384 1.00 0.00 C ATOM 49 CD ARG A1071 7.833 -0.462 4.488 1.00 0.00 C ATOM 50 NE ARG A1071 8.015 -0.917 5.860 1.00 0.00 N ATOM 51 CZ ARG A1071 9.093 -1.572 6.286 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.104 -1.804 5.457 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.148 -2.010 7.537 1.00 0.00 N ATOM 0 H ARG A1071 6.519 2.370 0.591 1.00 0.00 H new ATOM 0 HA ARG A1071 5.375 2.603 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.525 0.440 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A1071 8.006 1.375 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.839 1.655 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.243 0.930 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.207 -1.179 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.801 -0.450 3.986 1.00 0.00 H new ATOM 0 HE ARG A1071 7.274 -0.723 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.056 -1.480 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A1071 10.929 -2.306 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.366 -1.845 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A1071 9.973 -2.512 7.866 1.00 0.00 H new ATOM 67 N VAL A1072 6.869 4.470 3.985 1.00 0.00 N ATOM 68 CA VAL A1072 7.668 5.642 4.305 1.00 0.00 C ATOM 69 C VAL A1072 8.248 5.530 5.706 1.00 0.00 C ATOM 70 O VAL A1072 7.683 4.865 6.577 1.00 0.00 O ATOM 71 CB VAL A1072 6.863 6.962 4.185 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.338 7.152 2.770 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.722 7.001 5.190 1.00 0.00 C ATOM 0 H VAL A1072 6.151 4.241 4.673 1.00 0.00 H new ATOM 0 HA VAL A1072 8.475 5.675 3.573 1.00 0.00 H new ATOM 0 HB VAL A1072 7.540 7.786 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.777 8.085 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.175 7.188 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.685 6.319 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.175 7.938 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.048 6.164 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.125 6.929 6.200 1.00 0.00 H new ATOM 83 N LYS A1073 9.381 6.175 5.912 1.00 0.00 N ATOM 84 CA LYS A1073 10.040 6.164 7.204 1.00 0.00 C ATOM 85 C LYS A1073 10.157 7.596 7.699 1.00 0.00 C ATOM 86 O LYS A1073 10.548 8.492 6.943 1.00 0.00 O ATOM 87 CB LYS A1073 11.423 5.504 7.089 1.00 0.00 C ATOM 88 CG LYS A1073 11.923 4.849 8.375 1.00 0.00 C ATOM 89 CD LYS A1073 12.432 5.860 9.395 1.00 0.00 C ATOM 90 CE LYS A1073 13.675 6.585 8.900 1.00 0.00 C ATOM 91 NZ LYS A1073 14.246 7.488 9.938 1.00 0.00 N ATOM 0 H LYS A1073 9.866 6.716 5.196 1.00 0.00 H new ATOM 0 HA LYS A1073 9.457 5.583 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.387 4.750 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.146 6.257 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.115 4.268 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.723 4.150 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.648 6.587 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.658 5.350 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.427 5.854 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.426 7.166 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.154 7.870 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.586 8.271 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.398 6.954 10.817 1.00 0.00 H new ATOM 105 N THR A1074 9.800 7.812 8.947 1.00 0.00 N ATOM 106 CA THR A1074 9.804 9.142 9.515 1.00 0.00 C ATOM 107 C THR A1074 11.224 9.585 9.832 1.00 0.00 C ATOM 108 O THR A1074 11.966 8.896 10.541 1.00 0.00 O ATOM 109 CB THR A1074 8.949 9.191 10.786 1.00 0.00 C ATOM 110 OG1 THR A1074 9.537 8.365 11.789 1.00 0.00 O ATOM 111 CG2 THR A1074 7.541 8.700 10.503 1.00 0.00 C ATOM 0 H THR A1074 9.502 7.079 9.590 1.00 0.00 H new ATOM 0 HA THR A1074 9.378 9.823 8.778 1.00 0.00 H new ATOM 0 HB THR A1074 8.902 10.224 11.131 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.445 8.797 12.664 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.950 8.743 11.418 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.081 9.333 9.744 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.580 7.672 10.144 1.00 0.00 H new ATOM 119 N ILE A1075 11.607 10.726 9.292 1.00 0.00 N ATOM 120 CA ILE A1075 12.950 11.238 9.481 1.00 0.00 C ATOM 121 C ILE A1075 12.948 12.374 10.486 1.00 0.00 C ATOM 122 O ILE A1075 13.995 12.917 10.842 1.00 0.00 O ATOM 123 CB ILE A1075 13.560 11.717 8.156 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.589 12.625 7.408 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.950 10.533 7.293 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.184 13.262 6.172 1.00 0.00 C ATOM 0 H ILE A1075 11.006 11.317 8.718 1.00 0.00 H new ATOM 0 HA ILE A1075 13.562 10.421 9.863 1.00 0.00 H new ATOM 0 HB ILE A1075 14.458 12.292 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.711 12.046 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.247 13.410 8.082 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.381 10.891 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.684 9.924 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.066 9.932 7.079 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.436 13.893 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.045 13.869 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.501 12.483 5.478 1.00 0.00 H new ATOM 138 N TYR A1076 11.752 12.723 10.931 1.00 0.00 N ATOM 139 CA TYR A1076 11.567 13.768 11.919 1.00 0.00 C ATOM 140 C TYR A1076 10.501 13.375 12.934 1.00 0.00 C ATOM 141 O TYR A1076 9.812 12.367 12.773 1.00 0.00 O ATOM 142 CB TYR A1076 11.133 15.068 11.246 1.00 0.00 C ATOM 143 CG TYR A1076 12.183 15.744 10.394 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.097 16.614 10.963 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.224 15.559 9.019 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.029 17.272 10.188 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.145 16.222 8.236 1.00 0.00 C ATOM 148 CZ TYR A1076 14.044 17.077 8.821 1.00 0.00 C ATOM 149 OH TYR A1076 14.950 17.754 8.035 1.00 0.00 O ATOM 0 H TYR A1076 10.884 12.289 10.617 1.00 0.00 H new ATOM 0 HA TYR A1076 12.521 13.910 12.427 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.263 14.861 10.623 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.812 15.767 12.019 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.080 16.780 12.030 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.522 14.883 8.554 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.744 17.937 10.649 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.159 16.069 7.167 1.00 0.00 H new ATOM 0 HH TYR A1076 15.109 18.645 8.412 1.00 0.00 H new ATOM 159 N ASP A1077 10.365 14.202 13.964 1.00 0.00 N ATOM 160 CA ASP A1077 9.340 14.023 14.981 1.00 0.00 C ATOM 161 C ASP A1077 8.225 15.031 14.758 1.00 0.00 C ATOM 162 O ASP A1077 8.414 16.229 14.959 1.00 0.00 O ATOM 163 CB ASP A1077 9.918 14.216 16.389 1.00 0.00 C ATOM 164 CG ASP A1077 10.956 13.177 16.764 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.566 12.042 17.110 1.00 0.00 O ATOM 166 OD2 ASP A1077 12.162 13.493 16.744 1.00 0.00 O ATOM 0 H ASP A1077 10.963 15.015 14.116 1.00 0.00 H new ATOM 0 HA ASP A1077 8.953 13.007 14.901 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.367 15.207 16.456 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.105 14.184 17.114 1.00 0.00 H new ATOM 171 N CYS A1078 7.068 14.556 14.346 1.00 0.00 N ATOM 172 CA CYS A1078 5.962 15.442 14.035 1.00 0.00 C ATOM 173 C CYS A1078 4.749 15.103 14.885 1.00 0.00 C ATOM 174 O CYS A1078 4.577 13.961 15.315 1.00 0.00 O ATOM 175 CB CYS A1078 5.600 15.348 12.555 1.00 0.00 C ATOM 176 SG CYS A1078 4.444 16.619 11.995 1.00 0.00 S ATOM 0 H CYS A1078 6.868 13.564 14.218 1.00 0.00 H new ATOM 0 HA CYS A1078 6.273 16.462 14.258 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.513 15.417 11.964 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.167 14.367 12.360 1.00 0.00 H new ATOM 0 HG CYS A1078 5.107 17.669 11.611 1.00 0.00 H new ATOM 182 N GLN A1079 3.925 16.101 15.137 1.00 0.00 N ATOM 183 CA GLN A1079 2.708 15.904 15.911 1.00 0.00 C ATOM 184 C GLN A1079 1.522 16.594 15.249 1.00 0.00 C ATOM 185 O GLN A1079 1.660 17.657 14.641 1.00 0.00 O ATOM 186 CB GLN A1079 2.909 16.386 17.352 1.00 0.00 C ATOM 187 CG GLN A1079 1.630 16.480 18.168 1.00 0.00 C ATOM 188 CD GLN A1079 1.890 16.643 19.653 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.918 17.179 20.065 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.951 16.189 20.465 1.00 0.00 N ATOM 0 H GLN A1079 4.073 17.058 14.818 1.00 0.00 H new ATOM 0 HA GLN A1079 2.485 14.837 15.942 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.598 15.708 17.856 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.385 17.366 17.331 1.00 0.00 H new ATOM 0 HG2 GLN A1079 1.039 17.324 17.813 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.034 15.582 18.005 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.113 15.751 20.082 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.064 16.277 21.475 1.00 0.00 H new ATOM 199 N ALA A1080 0.368 15.950 15.368 1.00 0.00 N ATOM 200 CA ALA A1080 -0.864 16.398 14.735 1.00 0.00 C ATOM 201 C ALA A1080 -1.288 17.782 15.207 1.00 0.00 C ATOM 202 O ALA A1080 -1.298 18.073 16.403 1.00 0.00 O ATOM 203 CB ALA A1080 -1.970 15.397 15.020 1.00 0.00 C ATOM 0 H ALA A1080 0.261 15.094 15.912 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.680 16.464 13.663 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.894 15.731 14.547 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.690 14.422 14.621 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.122 15.319 16.097 1.00 0.00 H new ATOM 209 N ASP A1081 -1.634 18.626 14.244 1.00 0.00 N ATOM 210 CA ASP A1081 -2.141 19.964 14.525 1.00 0.00 C ATOM 211 C ASP A1081 -3.609 19.882 14.918 1.00 0.00 C ATOM 212 O ASP A1081 -4.045 20.497 15.891 1.00 0.00 O ATOM 213 CB ASP A1081 -1.993 20.848 13.289 1.00 0.00 C ATOM 214 CG ASP A1081 -2.282 22.307 13.570 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.355 23.024 14.003 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.426 22.749 13.332 1.00 0.00 O ATOM 0 H ASP A1081 -1.572 18.405 13.250 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.568 20.397 15.345 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.980 20.752 12.899 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.669 20.492 12.511 1.00 0.00 H new ATOM 221 N ASN A1082 -4.360 19.121 14.136 1.00 0.00 N ATOM 222 CA ASN A1082 -5.760 18.855 14.418 1.00 0.00 C ATOM 223 C ASN A1082 -5.920 17.374 14.771 1.00 0.00 C ATOM 224 O ASN A1082 -4.924 16.673 14.956 1.00 0.00 O ATOM 225 CB ASN A1082 -6.620 19.226 13.195 1.00 0.00 C ATOM 226 CG ASN A1082 -8.106 19.332 13.493 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.847 18.355 13.381 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.551 20.522 13.861 1.00 0.00 N ATOM 0 H ASN A1082 -4.015 18.671 13.288 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.095 19.460 15.261 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.272 20.178 12.794 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.468 18.478 12.417 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.542 20.656 14.064 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.904 21.306 13.942 1.00 0.00 H new ATOM 235 N ASP A1083 -7.145 16.899 14.867 1.00 0.00 N ATOM 236 CA ASP A1083 -7.406 15.493 15.151 1.00 0.00 C ATOM 237 C ASP A1083 -7.126 14.632 13.921 1.00 0.00 C ATOM 238 O ASP A1083 -6.782 13.454 14.033 1.00 0.00 O ATOM 239 CB ASP A1083 -8.859 15.322 15.601 1.00 0.00 C ATOM 240 CG ASP A1083 -9.278 13.870 15.729 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.947 13.238 16.755 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.955 13.361 14.807 1.00 0.00 O ATOM 0 H ASP A1083 -7.985 17.467 14.752 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.741 15.166 15.951 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -8.996 15.819 16.561 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.515 15.821 14.887 1.00 0.00 H new ATOM 247 N ASP A1084 -7.237 15.242 12.749 1.00 0.00 N ATOM 248 CA ASP A1084 -7.156 14.508 11.490 1.00 0.00 C ATOM 249 C ASP A1084 -5.706 14.258 11.064 1.00 0.00 C ATOM 250 O ASP A1084 -5.427 13.331 10.297 1.00 0.00 O ATOM 251 CB ASP A1084 -7.909 15.269 10.398 1.00 0.00 C ATOM 252 CG ASP A1084 -8.126 14.439 9.152 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.701 13.332 9.260 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.743 14.889 8.055 1.00 0.00 O ATOM 0 H ASP A1084 -7.384 16.246 12.642 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.620 13.533 11.641 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.874 15.593 10.786 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.352 16.169 10.138 1.00 0.00 H new ATOM 259 N GLU A1085 -4.788 15.073 11.569 1.00 0.00 N ATOM 260 CA GLU A1085 -3.374 14.923 11.238 1.00 0.00 C ATOM 261 C GLU A1085 -2.757 13.750 12.002 1.00 0.00 C ATOM 262 O GLU A1085 -3.298 13.296 13.013 1.00 0.00 O ATOM 263 CB GLU A1085 -2.594 16.209 11.541 1.00 0.00 C ATOM 264 CG GLU A1085 -2.743 17.300 10.487 1.00 0.00 C ATOM 265 CD GLU A1085 -4.086 17.998 10.525 1.00 0.00 C ATOM 266 OE1 GLU A1085 -4.218 18.985 11.275 1.00 0.00 O ATOM 267 OE2 GLU A1085 -5.002 17.579 9.789 1.00 0.00 O ATOM 0 H GLU A1085 -4.995 15.842 12.207 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.308 14.721 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.925 16.602 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.537 15.963 11.644 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -1.954 18.039 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.598 16.862 9.499 1.00 0.00 H new ATOM 274 N LEU A1086 -1.627 13.267 11.506 1.00 0.00 N ATOM 275 CA LEU A1086 -0.934 12.137 12.113 1.00 0.00 C ATOM 276 C LEU A1086 0.206 12.609 13.012 1.00 0.00 C ATOM 277 O LEU A1086 0.899 13.577 12.698 1.00 0.00 O ATOM 278 CB LEU A1086 -0.366 11.223 11.021 1.00 0.00 C ATOM 279 CG LEU A1086 0.228 9.902 11.517 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.875 8.925 11.862 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.158 9.302 10.477 1.00 0.00 C ATOM 0 H LEU A1086 -1.166 13.643 10.677 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.655 11.589 12.719 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.159 11.000 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.406 11.769 10.479 1.00 0.00 H new ATOM 0 HG LEU A1086 0.809 10.107 12.416 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.437 7.991 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.504 9.348 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.480 8.732 10.976 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.567 8.364 10.853 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.603 9.113 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.972 9.997 10.273 1.00 0.00 H new ATOM 293 N THR A1087 0.394 11.916 14.126 1.00 0.00 N ATOM 294 CA THR A1087 1.532 12.158 14.998 1.00 0.00 C ATOM 295 C THR A1087 2.526 11.006 14.871 1.00 0.00 C ATOM 296 O THR A1087 2.193 9.854 15.149 1.00 0.00 O ATOM 297 CB THR A1087 1.097 12.314 16.472 1.00 0.00 C ATOM 298 OG1 THR A1087 0.150 13.384 16.595 1.00 0.00 O ATOM 299 CG2 THR A1087 2.293 12.585 17.376 1.00 0.00 C ATOM 0 H THR A1087 -0.232 11.177 14.448 1.00 0.00 H new ATOM 0 HA THR A1087 2.002 13.091 14.689 1.00 0.00 H new ATOM 0 HB THR A1087 0.635 11.378 16.785 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.121 13.474 17.532 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.954 12.690 18.407 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.996 11.755 17.308 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.786 13.505 17.061 1.00 0.00 H new ATOM 307 N PHE A1088 3.736 11.321 14.437 1.00 0.00 N ATOM 308 CA PHE A1088 4.749 10.308 14.180 1.00 0.00 C ATOM 309 C PHE A1088 6.122 10.802 14.621 1.00 0.00 C ATOM 310 O PHE A1088 6.481 11.952 14.385 1.00 0.00 O ATOM 311 CB PHE A1088 4.764 9.933 12.692 1.00 0.00 C ATOM 312 CG PHE A1088 4.837 11.113 11.757 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.691 11.807 11.415 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.047 11.528 11.225 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.749 12.887 10.561 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.109 12.607 10.369 1.00 0.00 C ATOM 317 CZ PHE A1088 4.960 13.288 10.037 1.00 0.00 C ATOM 0 H PHE A1088 4.042 12.277 14.254 1.00 0.00 H new ATOM 0 HA PHE A1088 4.503 9.417 14.758 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.616 9.280 12.502 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.866 9.359 12.465 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.739 11.499 11.822 1.00 0.00 H new ATOM 0 HD2 PHE A1088 6.953 11.000 11.484 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.846 13.420 10.302 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.059 12.918 9.959 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.007 14.134 9.368 1.00 0.00 H new ATOM 327 N ILE A1089 6.888 9.931 15.260 1.00 0.00 N ATOM 328 CA ILE A1089 8.195 10.316 15.785 1.00 0.00 C ATOM 329 C ILE A1089 9.304 9.720 14.935 1.00 0.00 C ATOM 330 O ILE A1089 9.084 8.734 14.237 1.00 0.00 O ATOM 331 CB ILE A1089 8.388 9.895 17.264 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.590 8.374 17.417 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.209 10.373 18.098 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.403 7.531 17.003 1.00 0.00 C ATOM 0 H ILE A1089 6.632 8.958 15.428 1.00 0.00 H new ATOM 0 HA ILE A1089 8.243 11.404 15.744 1.00 0.00 H new ATOM 0 HB ILE A1089 9.299 10.370 17.628 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.454 8.075 16.824 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.827 8.156 18.458 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.352 10.073 19.136 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.139 11.459 18.040 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.289 9.930 17.716 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.638 6.476 17.146 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.539 7.796 17.612 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.176 7.713 15.953 1.00 0.00 H new ATOM 346 N GLU A1090 10.485 10.321 14.997 1.00 0.00 N ATOM 347 CA GLU A1090 11.617 9.893 14.180 1.00 0.00 C ATOM 348 C GLU A1090 11.934 8.421 14.445 1.00 0.00 C ATOM 349 O GLU A1090 12.085 8.011 15.597 1.00 0.00 O ATOM 350 CB GLU A1090 12.845 10.765 14.480 1.00 0.00 C ATOM 351 CG GLU A1090 13.956 10.683 13.435 1.00 0.00 C ATOM 352 CD GLU A1090 14.725 9.373 13.450 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.522 9.149 14.389 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.555 8.565 12.513 1.00 0.00 O ATOM 0 H GLU A1090 10.686 11.112 15.609 1.00 0.00 H new ATOM 0 HA GLU A1090 11.354 10.008 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.524 11.803 14.569 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.253 10.474 15.448 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.521 10.825 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.654 11.504 13.597 1.00 0.00 H new ATOM 361 N GLY A1091 12.018 7.630 13.381 1.00 0.00 N ATOM 362 CA GLY A1091 12.336 6.222 13.530 1.00 0.00 C ATOM 363 C GLY A1091 11.117 5.350 13.346 1.00 0.00 C ATOM 364 O GLY A1091 11.195 4.122 13.413 1.00 0.00 O ATOM 0 H GLY A1091 11.872 7.938 12.420 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.097 5.942 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.762 6.048 14.518 1.00 0.00 H new ATOM 368 N GLU A1092 9.988 5.993 13.117 1.00 0.00 N ATOM 369 CA GLU A1092 8.725 5.302 12.937 1.00 0.00 C ATOM 370 C GLU A1092 8.517 4.977 11.462 1.00 0.00 C ATOM 371 O GLU A1092 9.151 5.575 10.588 1.00 0.00 O ATOM 372 CB GLU A1092 7.584 6.172 13.458 1.00 0.00 C ATOM 373 CG GLU A1092 6.367 5.396 13.924 1.00 0.00 C ATOM 374 CD GLU A1092 6.737 4.204 14.782 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.921 4.374 16.007 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.857 3.088 14.231 1.00 0.00 O ATOM 0 H GLU A1092 9.920 7.009 13.050 1.00 0.00 H new ATOM 0 HA GLU A1092 8.740 4.369 13.500 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.953 6.777 14.286 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.280 6.862 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.712 6.058 14.490 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.803 5.055 13.056 1.00 0.00 H new ATOM 383 N VAL A1093 7.632 4.038 11.189 1.00 0.00 N ATOM 384 CA VAL A1093 7.388 3.593 9.823 1.00 0.00 C ATOM 385 C VAL A1093 5.907 3.678 9.508 1.00 0.00 C ATOM 386 O VAL A1093 5.074 3.170 10.260 1.00 0.00 O ATOM 387 CB VAL A1093 7.880 2.146 9.581 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.606 1.712 8.146 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.362 2.022 9.901 1.00 0.00 C ATOM 0 H VAL A1093 7.067 3.565 11.894 1.00 0.00 H new ATOM 0 HA VAL A1093 7.953 4.253 9.164 1.00 0.00 H new ATOM 0 HB VAL A1093 7.327 1.485 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.961 0.692 8.000 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.534 1.755 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.127 2.379 7.459 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.688 0.997 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.930 2.699 9.262 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.532 2.281 10.946 1.00 0.00 H new ATOM 399 N ILE A1094 5.580 4.324 8.403 1.00 0.00 N ATOM 400 CA ILE A1094 4.195 4.533 8.038 1.00 0.00 C ATOM 401 C ILE A1094 3.877 3.826 6.732 1.00 0.00 C ATOM 402 O ILE A1094 4.624 3.928 5.757 1.00 0.00 O ATOM 403 CB ILE A1094 3.871 6.035 7.881 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.452 6.836 9.049 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.365 6.242 7.792 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.278 8.333 8.911 1.00 0.00 C ATOM 0 H ILE A1094 6.256 4.712 7.745 1.00 0.00 H new ATOM 0 HA ILE A1094 3.585 4.122 8.842 1.00 0.00 H new ATOM 0 HB ILE A1094 4.328 6.393 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.977 6.508 9.974 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.515 6.610 9.139 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.150 7.305 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.974 5.701 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.892 5.868 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.715 8.831 9.776 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.778 8.675 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.216 8.572 8.852 1.00 0.00 H new ATOM 418 N ILE A1095 2.779 3.093 6.725 1.00 0.00 N ATOM 419 CA ILE A1095 2.276 2.487 5.508 1.00 0.00 C ATOM 420 C ILE A1095 1.308 3.458 4.839 1.00 0.00 C ATOM 421 O ILE A1095 0.256 3.776 5.404 1.00 0.00 O ATOM 422 CB ILE A1095 1.548 1.153 5.790 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.492 0.159 6.475 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.990 0.562 4.502 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.723 -0.181 5.659 1.00 0.00 C ATOM 0 H ILE A1095 2.216 2.903 7.554 1.00 0.00 H new ATOM 0 HA ILE A1095 3.123 2.273 4.856 1.00 0.00 H new ATOM 0 HB ILE A1095 0.714 1.354 6.463 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.806 0.573 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.945 -0.759 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.482 -0.377 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.283 1.262 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.806 0.377 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.341 -0.889 6.211 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.420 -0.625 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.295 0.727 5.468 1.00 0.00 H new ATOM 437 N VAL A1096 1.671 3.944 3.661 1.00 0.00 N ATOM 438 CA VAL A1096 0.857 4.930 2.959 1.00 0.00 C ATOM 439 C VAL A1096 -0.364 4.264 2.334 1.00 0.00 C ATOM 440 O VAL A1096 -0.237 3.395 1.470 1.00 0.00 O ATOM 441 CB VAL A1096 1.662 5.667 1.863 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.835 6.779 1.228 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.954 6.223 2.438 1.00 0.00 C ATOM 0 H VAL A1096 2.523 3.673 3.170 1.00 0.00 H new ATOM 0 HA VAL A1096 0.536 5.666 3.696 1.00 0.00 H new ATOM 0 HB VAL A1096 1.909 4.947 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.426 7.280 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.060 6.353 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.547 7.500 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.509 6.739 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.723 6.924 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.558 5.406 2.833 1.00 0.00 H new ATOM 453 N THR A1097 -1.541 4.663 2.789 1.00 0.00 N ATOM 454 CA THR A1097 -2.785 4.101 2.296 1.00 0.00 C ATOM 455 C THR A1097 -3.474 5.062 1.330 1.00 0.00 C ATOM 456 O THR A1097 -4.326 4.658 0.535 1.00 0.00 O ATOM 457 CB THR A1097 -3.734 3.764 3.462 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.829 4.880 4.360 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.240 2.541 4.225 1.00 0.00 C ATOM 0 H THR A1097 -1.659 5.380 3.505 1.00 0.00 H new ATOM 0 HA THR A1097 -2.543 3.182 1.762 1.00 0.00 H new ATOM 0 HB THR A1097 -4.718 3.546 3.046 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.435 4.656 5.097 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.925 2.322 5.044 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.194 1.686 3.551 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.247 2.740 4.627 1.00 0.00 H new ATOM 467 N GLY A1098 -3.094 6.333 1.398 1.00 0.00 N ATOM 468 CA GLY A1098 -3.696 7.333 0.543 1.00 0.00 C ATOM 469 C GLY A1098 -2.874 8.602 0.463 1.00 0.00 C ATOM 470 O GLY A1098 -1.756 8.667 0.967 1.00 0.00 O ATOM 0 H GLY A1098 -2.378 6.687 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.821 6.922 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.692 7.572 0.916 1.00 0.00 H new ATOM 474 N GLU A1099 -3.444 9.617 -0.158 1.00 0.00 N ATOM 475 CA GLU A1099 -2.774 10.889 -0.361 1.00 0.00 C ATOM 476 C GLU A1099 -3.826 11.970 -0.549 1.00 0.00 C ATOM 477 O GLU A1099 -4.809 11.761 -1.261 1.00 0.00 O ATOM 478 CB GLU A1099 -1.841 10.787 -1.577 1.00 0.00 C ATOM 479 CG GLU A1099 -1.351 12.115 -2.126 1.00 0.00 C ATOM 480 CD GLU A1099 -2.094 12.524 -3.382 1.00 0.00 C ATOM 481 OE1 GLU A1099 -2.072 11.754 -4.364 1.00 0.00 O ATOM 482 OE2 GLU A1099 -2.699 13.614 -3.399 1.00 0.00 O ATOM 0 H GLU A1099 -4.390 9.583 -0.538 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.164 11.147 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.976 10.184 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.362 10.253 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.472 12.887 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.285 12.046 -2.343 1.00 0.00 H new ATOM 489 N GLU A1100 -3.645 13.112 0.097 1.00 0.00 N ATOM 490 CA GLU A1100 -4.636 14.179 -0.001 1.00 0.00 C ATOM 491 C GLU A1100 -3.995 15.429 -0.565 1.00 0.00 C ATOM 492 O GLU A1100 -4.628 16.208 -1.278 1.00 0.00 O ATOM 493 CB GLU A1100 -5.278 14.486 1.358 1.00 0.00 C ATOM 494 CG GLU A1100 -6.394 15.522 1.268 1.00 0.00 C ATOM 495 CD GLU A1100 -7.065 15.802 2.597 1.00 0.00 C ATOM 496 OE1 GLU A1100 -8.057 15.114 2.921 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.617 16.717 3.313 1.00 0.00 O ATOM 0 H GLU A1100 -2.839 13.324 0.684 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.426 13.839 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.678 13.565 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.511 14.845 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.985 16.452 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.144 15.176 0.557 1.00 0.00 H new ATOM 504 N ASP A1101 -2.735 15.613 -0.236 1.00 0.00 N ATOM 505 CA ASP A1101 -1.971 16.730 -0.741 1.00 0.00 C ATOM 506 C ASP A1101 -0.691 16.194 -1.350 1.00 0.00 C ATOM 507 O ASP A1101 -0.358 15.027 -1.157 1.00 0.00 O ATOM 508 CB ASP A1101 -1.646 17.707 0.393 1.00 0.00 C ATOM 509 CG ASP A1101 -1.203 19.073 -0.090 1.00 0.00 C ATOM 510 OD1 ASP A1101 -0.023 19.224 -0.466 1.00 0.00 O ATOM 511 OD2 ASP A1101 -2.033 20.003 -0.075 1.00 0.00 O ATOM 0 H ASP A1101 -2.214 14.995 0.386 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.549 17.265 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.527 17.823 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.861 17.279 1.016 1.00 0.00 H new ATOM 516 N GLN A1102 0.024 17.028 -2.063 1.00 0.00 N ATOM 517 CA GLN A1102 1.297 16.634 -2.628 1.00 0.00 C ATOM 518 C GLN A1102 2.274 16.331 -1.509 1.00 0.00 C ATOM 519 O GLN A1102 3.039 15.365 -1.565 1.00 0.00 O ATOM 520 CB GLN A1102 1.842 17.749 -3.521 1.00 0.00 C ATOM 521 CG GLN A1102 3.338 17.663 -3.776 1.00 0.00 C ATOM 522 CD GLN A1102 3.826 18.754 -4.703 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.099 19.205 -5.587 1.00 0.00 O ATOM 524 NE2 GLN A1102 5.057 19.193 -4.507 1.00 0.00 N ATOM 0 H GLN A1102 -0.252 17.988 -2.268 1.00 0.00 H new ATOM 0 HA GLN A1102 1.162 15.739 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.319 17.723 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.617 18.711 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A1102 3.870 17.730 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.576 16.690 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A1102 5.629 18.793 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A1102 5.435 19.932 -5.100 1.00 0.00 H new ATOM 533 N GLU A1103 2.206 17.143 -0.470 1.00 0.00 N ATOM 534 CA GLU A1103 3.142 17.048 0.623 1.00 0.00 C ATOM 535 C GLU A1103 2.439 16.596 1.899 1.00 0.00 C ATOM 536 O GLU A1103 2.949 16.768 3.006 1.00 0.00 O ATOM 537 CB GLU A1103 3.826 18.397 0.807 1.00 0.00 C ATOM 538 CG GLU A1103 5.153 18.292 1.512 1.00 0.00 C ATOM 539 CD GLU A1103 6.037 19.496 1.269 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.435 19.719 0.106 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.344 20.223 2.235 1.00 0.00 O ATOM 0 H GLU A1103 1.506 17.878 -0.365 1.00 0.00 H new ATOM 0 HA GLU A1103 3.899 16.298 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.975 18.859 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.170 19.056 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.984 18.180 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.669 17.393 1.175 1.00 0.00 H new ATOM 548 N TRP A1104 1.266 16.010 1.729 1.00 0.00 N ATOM 549 CA TRP A1104 0.495 15.466 2.845 1.00 0.00 C ATOM 550 C TRP A1104 -0.199 14.168 2.442 1.00 0.00 C ATOM 551 O TRP A1104 -1.162 14.176 1.662 1.00 0.00 O ATOM 552 CB TRP A1104 -0.541 16.473 3.338 1.00 0.00 C ATOM 553 CG TRP A1104 0.017 17.584 4.178 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.622 18.729 3.743 1.00 0.00 C ATOM 555 CD2 TRP A1104 0.000 17.659 5.608 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.968 19.515 4.815 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.603 18.877 5.970 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.467 16.815 6.616 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.745 19.271 7.299 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.324 17.204 7.932 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.278 18.423 8.263 1.00 0.00 C ATOM 0 H TRP A1104 0.819 15.896 0.819 1.00 0.00 H new ATOM 0 HA TRP A1104 1.192 15.257 3.656 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.046 16.907 2.475 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.297 15.942 3.917 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.802 18.979 2.708 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.423 20.426 4.760 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.933 15.872 6.370 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.207 20.212 7.558 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.682 16.557 8.719 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.376 18.699 9.302 1.00 0.00 H new ATOM 572 N TRP A1105 0.277 13.056 2.978 1.00 0.00 N ATOM 573 CA TRP A1105 -0.240 11.751 2.592 1.00 0.00 C ATOM 574 C TRP A1105 -0.994 11.106 3.736 1.00 0.00 C ATOM 575 O TRP A1105 -0.899 11.541 4.883 1.00 0.00 O ATOM 576 CB TRP A1105 0.894 10.843 2.107 1.00 0.00 C ATOM 577 CG TRP A1105 1.492 11.317 0.821 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.155 12.453 0.159 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.510 10.685 0.041 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.889 12.583 -0.980 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.740 11.508 -1.082 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.250 9.510 0.182 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.685 11.187 -2.055 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.183 9.194 -0.786 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.394 10.029 -1.891 1.00 0.00 C ATOM 0 H TRP A1105 1.018 13.029 3.679 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.939 11.894 1.768 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.671 10.796 2.870 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.514 9.830 1.976 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.407 13.158 0.491 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.819 13.351 -1.648 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.096 8.861 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.851 11.829 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.761 8.287 -0.689 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.132 9.752 -2.629 1.00 0.00 H new ATOM 596 N ILE A1106 -1.742 10.068 3.419 1.00 0.00 N ATOM 597 CA ILE A1106 -2.583 9.407 4.397 1.00 0.00 C ATOM 598 C ILE A1106 -2.104 7.986 4.605 1.00 0.00 C ATOM 599 O ILE A1106 -1.788 7.283 3.647 1.00 0.00 O ATOM 600 CB ILE A1106 -4.057 9.369 3.944 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.544 10.772 3.581 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.931 8.771 5.038 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.937 10.791 2.999 1.00 0.00 C ATOM 0 H ILE A1106 -1.784 9.662 2.484 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.517 9.974 5.326 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.129 8.740 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.522 11.398 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.853 11.214 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.968 8.751 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.599 7.755 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.852 9.378 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.219 11.817 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.959 10.191 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.639 10.378 3.723 1.00 0.00 H new ATOM 615 N GLY A1107 -2.030 7.572 5.849 1.00 0.00 N ATOM 616 CA GLY A1107 -1.620 6.223 6.138 1.00 0.00 C ATOM 617 C GLY A1107 -1.663 5.920 7.609 1.00 0.00 C ATOM 618 O GLY A1107 -2.264 6.666 8.385 1.00 0.00 O ATOM 0 H GLY A1107 -2.246 8.144 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.268 5.526 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.608 6.065 5.766 1.00 0.00 H new ATOM 622 N HIS A1108 -1.015 4.839 7.993 1.00 0.00 N ATOM 623 CA HIS A1108 -1.008 4.408 9.384 1.00 0.00 C ATOM 624 C HIS A1108 0.351 3.838 9.744 1.00 0.00 C ATOM 625 O HIS A1108 1.062 3.312 8.882 1.00 0.00 O ATOM 626 CB HIS A1108 -2.109 3.365 9.653 1.00 0.00 C ATOM 627 CG HIS A1108 -1.995 2.095 8.861 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.789 1.821 7.775 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.200 1.010 9.023 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.496 0.625 7.303 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.531 0.107 8.042 1.00 0.00 N ATOM 0 H HIS A1108 -0.484 4.239 7.362 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.211 5.278 10.008 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.098 3.115 10.714 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.077 3.820 9.442 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.445 0.879 9.784 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -2.966 0.149 6.455 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.104 -0.809 7.907 1.00 0.00 H new ATOM 640 N ILE A1109 0.712 3.950 11.012 1.00 0.00 N ATOM 641 CA ILE A1109 1.969 3.408 11.489 1.00 0.00 C ATOM 642 C ILE A1109 1.949 1.892 11.368 1.00 0.00 C ATOM 643 O ILE A1109 0.966 1.238 11.710 1.00 0.00 O ATOM 644 CB ILE A1109 2.250 3.797 12.955 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.193 5.317 13.140 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.601 3.259 13.396 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.028 6.095 12.148 1.00 0.00 C ATOM 0 H ILE A1109 0.151 4.412 11.728 1.00 0.00 H new ATOM 0 HA ILE A1109 2.763 3.830 10.873 1.00 0.00 H new ATOM 0 HB ILE A1109 1.475 3.351 13.579 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.156 5.643 13.059 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.526 5.562 14.149 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.785 3.542 14.433 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.606 2.172 13.310 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.383 3.676 12.762 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.931 7.162 12.349 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.073 5.801 12.243 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.682 5.884 11.136 1.00 0.00 H new ATOM 659 N GLU A1110 3.053 1.357 10.869 1.00 0.00 N ATOM 660 CA GLU A1110 3.185 -0.062 10.572 1.00 0.00 C ATOM 661 C GLU A1110 3.022 -0.927 11.821 1.00 0.00 C ATOM 662 O GLU A1110 2.430 -2.005 11.762 1.00 0.00 O ATOM 663 CB GLU A1110 4.547 -0.314 9.932 1.00 0.00 C ATOM 664 CG GLU A1110 4.783 -1.754 9.529 1.00 0.00 C ATOM 665 CD GLU A1110 6.123 -1.938 8.862 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.237 -1.630 7.662 1.00 0.00 O ATOM 667 OE2 GLU A1110 7.073 -2.388 9.536 1.00 0.00 O ATOM 0 H GLU A1110 3.890 1.900 10.657 1.00 0.00 H new ATOM 0 HA GLU A1110 2.388 -0.341 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.645 0.320 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.327 -0.011 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.726 -2.392 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.993 -2.076 8.851 1.00 0.00 H new ATOM 674 N GLY A1111 3.554 -0.459 12.942 1.00 0.00 N ATOM 675 CA GLY A1111 3.430 -1.198 14.185 1.00 0.00 C ATOM 676 C GLY A1111 2.306 -0.669 15.047 1.00 0.00 C ATOM 677 O GLY A1111 2.043 -1.185 16.132 1.00 0.00 O ATOM 0 H GLY A1111 4.069 0.418 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.254 -2.251 13.965 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.368 -1.140 14.737 1.00 0.00 H new ATOM 681 N GLN A1112 1.633 0.356 14.549 1.00 0.00 N ATOM 682 CA GLN A1112 0.547 1.001 15.276 1.00 0.00 C ATOM 683 C GLN A1112 -0.627 1.221 14.328 1.00 0.00 C ATOM 684 O GLN A1112 -0.900 2.348 13.913 1.00 0.00 O ATOM 685 CB GLN A1112 1.024 2.340 15.851 1.00 0.00 C ATOM 686 CG GLN A1112 2.227 2.214 16.773 1.00 0.00 C ATOM 687 CD GLN A1112 3.047 3.489 16.852 1.00 0.00 C ATOM 688 OE1 GLN A1112 2.521 4.596 16.747 1.00 0.00 O ATOM 689 NE2 GLN A1112 4.349 3.342 17.008 1.00 0.00 N ATOM 0 H GLN A1112 1.822 0.764 13.633 1.00 0.00 H new ATOM 0 HA GLN A1112 0.230 0.364 16.102 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.276 3.010 15.029 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.204 2.803 16.399 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.886 1.945 17.773 1.00 0.00 H new ATOM 0 HG3 GLN A1112 2.863 1.400 16.424 1.00 0.00 H new ATOM 0 HE21 GLN A1112 4.750 2.408 17.092 1.00 0.00 H new ATOM 0 HE22 GLN A1112 4.954 4.162 17.045 1.00 0.00 H new ATOM 698 N PRO A1113 -1.339 0.138 13.979 1.00 0.00 N ATOM 699 CA PRO A1113 -2.362 0.157 12.924 1.00 0.00 C ATOM 700 C PRO A1113 -3.511 1.117 13.215 1.00 0.00 C ATOM 701 O PRO A1113 -4.086 1.704 12.297 1.00 0.00 O ATOM 702 CB PRO A1113 -2.873 -1.287 12.886 1.00 0.00 C ATOM 703 CG PRO A1113 -1.807 -2.092 13.545 1.00 0.00 C ATOM 704 CD PRO A1113 -1.211 -1.195 14.589 1.00 0.00 C ATOM 0 HA PRO A1113 -1.944 0.505 11.979 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.822 -1.383 13.413 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.042 -1.619 11.862 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.219 -2.996 13.994 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.053 -2.409 12.824 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.749 -1.261 15.535 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.171 -1.448 14.795 1.00 0.00 H new ATOM 712 N GLU A1114 -3.834 1.288 14.489 1.00 0.00 N ATOM 713 CA GLU A1114 -4.940 2.152 14.875 1.00 0.00 C ATOM 714 C GLU A1114 -4.509 3.615 14.867 1.00 0.00 C ATOM 715 O GLU A1114 -5.329 4.520 15.009 1.00 0.00 O ATOM 716 CB GLU A1114 -5.475 1.752 16.252 1.00 0.00 C ATOM 717 CG GLU A1114 -6.855 2.313 16.543 1.00 0.00 C ATOM 718 CD GLU A1114 -7.843 1.988 15.441 1.00 0.00 C ATOM 719 OE1 GLU A1114 -8.376 0.862 15.428 1.00 0.00 O ATOM 720 OE2 GLU A1114 -8.077 2.854 14.573 1.00 0.00 O ATOM 0 H GLU A1114 -3.349 0.843 15.268 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.742 2.031 14.147 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.510 0.665 16.319 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.781 2.096 17.019 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -7.219 1.909 17.487 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.789 3.394 16.664 1.00 0.00 H new ATOM 727 N ARG A1115 -3.224 3.849 14.688 1.00 0.00 N ATOM 728 CA ARG A1115 -2.731 5.203 14.541 1.00 0.00 C ATOM 729 C ARG A1115 -2.629 5.549 13.068 1.00 0.00 C ATOM 730 O ARG A1115 -1.603 5.313 12.428 1.00 0.00 O ATOM 731 CB ARG A1115 -1.378 5.372 15.228 1.00 0.00 C ATOM 732 CG ARG A1115 -1.476 5.442 16.739 1.00 0.00 C ATOM 733 CD ARG A1115 -0.114 5.664 17.362 1.00 0.00 C ATOM 734 NE ARG A1115 -0.205 6.050 18.765 1.00 0.00 N ATOM 735 CZ ARG A1115 0.817 6.529 19.471 1.00 0.00 C ATOM 736 NH1 ARG A1115 2.035 6.581 18.939 1.00 0.00 N ATOM 737 NH2 ARG A1115 0.618 6.928 20.719 1.00 0.00 N ATOM 0 H ARG A1115 -2.507 3.125 14.641 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.433 5.885 15.021 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.732 4.539 14.951 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.902 6.281 14.859 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.147 6.251 17.026 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.909 4.518 17.122 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.476 4.751 17.276 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.415 6.439 16.808 1.00 0.00 H new ATOM 0 HE ARG A1115 -1.105 5.947 19.233 1.00 0.00 H new ATOM 0 HH11 ARG A1115 2.190 6.253 17.986 1.00 0.00 H new ATOM 0 HH12 ARG A1115 2.814 6.949 19.484 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -0.313 6.867 21.132 1.00 0.00 H new ATOM 0 HH22 ARG A1115 1.396 7.296 21.267 1.00 0.00 H new ATOM 751 N LYS A1116 -3.712 6.090 12.532 1.00 0.00 N ATOM 752 CA LYS A1116 -3.758 6.489 11.139 1.00 0.00 C ATOM 753 C LYS A1116 -4.192 7.942 11.032 1.00 0.00 C ATOM 754 O LYS A1116 -4.831 8.478 11.940 1.00 0.00 O ATOM 755 CB LYS A1116 -4.707 5.588 10.332 1.00 0.00 C ATOM 756 CG LYS A1116 -6.181 5.723 10.703 1.00 0.00 C ATOM 757 CD LYS A1116 -6.613 4.724 11.770 1.00 0.00 C ATOM 758 CE LYS A1116 -6.575 3.296 11.249 1.00 0.00 C ATOM 759 NZ LYS A1116 -7.437 2.389 12.051 1.00 0.00 N ATOM 0 H LYS A1116 -4.575 6.263 13.047 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.758 6.380 10.719 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.590 5.817 9.273 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.405 4.550 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.370 6.735 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.791 5.581 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.960 4.813 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -7.622 4.963 12.105 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -6.901 3.280 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -5.548 2.930 11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -7.021 1.436 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.509 2.749 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.386 2.346 11.627 1.00 0.00 H new ATOM 773 N GLY A1117 -3.827 8.575 9.936 1.00 0.00 N ATOM 774 CA GLY A1117 -4.165 9.965 9.730 1.00 0.00 C ATOM 775 C GLY A1117 -3.400 10.556 8.571 1.00 0.00 C ATOM 776 O GLY A1117 -2.788 9.822 7.790 1.00 0.00 O ATOM 0 H GLY A1117 -3.297 8.148 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.235 10.056 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.949 10.531 10.636 1.00 0.00 H new ATOM 780 N VAL A1118 -3.426 11.873 8.456 1.00 0.00 N ATOM 781 CA VAL A1118 -2.714 12.546 7.383 1.00 0.00 C ATOM 782 C VAL A1118 -1.401 13.127 7.897 1.00 0.00 C ATOM 783 O VAL A1118 -1.387 13.988 8.779 1.00 0.00 O ATOM 784 CB VAL A1118 -3.557 13.669 6.742 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.908 14.149 5.454 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.982 13.200 6.479 1.00 0.00 C ATOM 0 H VAL A1118 -3.930 12.495 9.089 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.511 11.797 6.617 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.600 14.503 7.443 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.514 14.941 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.911 14.533 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.833 13.318 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.554 14.010 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.965 12.346 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.448 12.907 7.420 1.00 0.00 H new ATOM 796 N PHE A1119 -0.306 12.638 7.345 1.00 0.00 N ATOM 797 CA PHE A1119 1.026 13.054 7.758 1.00 0.00 C ATOM 798 C PHE A1119 1.711 13.881 6.676 1.00 0.00 C ATOM 799 O PHE A1119 1.559 13.614 5.480 1.00 0.00 O ATOM 800 CB PHE A1119 1.879 11.827 8.107 1.00 0.00 C ATOM 801 CG PHE A1119 1.860 10.733 7.074 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.861 9.775 7.092 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.844 10.649 6.101 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.838 8.760 6.162 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.827 9.629 5.166 1.00 0.00 C ATOM 806 CZ PHE A1119 1.819 8.684 5.199 1.00 0.00 C ATOM 0 H PHE A1119 -0.312 11.942 6.599 1.00 0.00 H new ATOM 0 HA PHE A1119 0.922 13.681 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.910 12.149 8.257 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.532 11.418 9.056 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.089 9.824 7.846 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.632 11.387 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.049 8.023 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.599 9.572 4.413 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.801 7.887 4.470 1.00 0.00 H new ATOM 816 N PRO A1120 2.463 14.915 7.084 1.00 0.00 N ATOM 817 CA PRO A1120 3.227 15.744 6.158 1.00 0.00 C ATOM 818 C PRO A1120 4.465 15.029 5.632 1.00 0.00 C ATOM 819 O PRO A1120 5.274 14.503 6.401 1.00 0.00 O ATOM 820 CB PRO A1120 3.637 16.948 7.003 1.00 0.00 C ATOM 821 CG PRO A1120 3.649 16.452 8.408 1.00 0.00 C ATOM 822 CD PRO A1120 2.614 15.361 8.483 1.00 0.00 C ATOM 0 HA PRO A1120 2.643 16.005 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.618 17.320 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.934 17.772 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.634 16.072 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.416 17.256 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.940 14.546 9.129 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.672 15.731 8.888 1.00 0.00 H new ATOM 830 N VAL A1121 4.615 15.035 4.315 1.00 0.00 N ATOM 831 CA VAL A1121 5.772 14.446 3.661 1.00 0.00 C ATOM 832 C VAL A1121 7.035 15.243 4.019 1.00 0.00 C ATOM 833 O VAL A1121 8.161 14.781 3.845 1.00 0.00 O ATOM 834 CB VAL A1121 5.571 14.400 2.127 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.759 13.758 1.431 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.284 13.655 1.775 1.00 0.00 C ATOM 0 H VAL A1121 3.939 15.448 3.672 1.00 0.00 H new ATOM 0 HA VAL A1121 5.890 13.422 4.014 1.00 0.00 H new ATOM 0 HB VAL A1121 5.490 15.428 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.585 13.742 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.660 14.333 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.885 12.738 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.161 13.633 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.339 12.635 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.433 14.165 2.227 1.00 0.00 H new ATOM 846 N SER A1122 6.819 16.433 4.561 1.00 0.00 N ATOM 847 CA SER A1122 7.896 17.316 4.984 1.00 0.00 C ATOM 848 C SER A1122 8.760 16.683 6.076 1.00 0.00 C ATOM 849 O SER A1122 9.943 16.997 6.201 1.00 0.00 O ATOM 850 CB SER A1122 7.294 18.623 5.491 1.00 0.00 C ATOM 851 OG SER A1122 6.133 18.955 4.748 1.00 0.00 O ATOM 0 H SER A1122 5.887 16.815 4.720 1.00 0.00 H new ATOM 0 HA SER A1122 8.543 17.502 4.126 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.043 18.529 6.547 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.028 19.425 5.408 1.00 0.00 H new ATOM 0 HG SER A1122 6.395 19.329 3.881 1.00 0.00 H new ATOM 857 N PHE A1123 8.172 15.787 6.857 1.00 0.00 N ATOM 858 CA PHE A1123 8.866 15.210 8.003 1.00 0.00 C ATOM 859 C PHE A1123 9.168 13.731 7.770 1.00 0.00 C ATOM 860 O PHE A1123 9.705 13.043 8.646 1.00 0.00 O ATOM 861 CB PHE A1123 8.022 15.365 9.271 1.00 0.00 C ATOM 862 CG PHE A1123 7.776 16.787 9.724 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.391 17.781 8.834 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.890 17.115 11.064 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.134 19.063 9.266 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.625 18.393 11.508 1.00 0.00 C ATOM 867 CZ PHE A1123 7.245 19.372 10.606 1.00 0.00 C ATOM 0 H PHE A1123 7.221 15.445 6.720 1.00 0.00 H new ATOM 0 HA PHE A1123 9.807 15.745 8.128 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.058 14.884 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.513 14.825 10.081 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.291 17.545 7.785 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.191 16.358 11.773 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.846 19.825 8.557 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.714 18.630 12.558 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.036 20.374 10.950 1.00 0.00 H new ATOM 877 N VAL A1124 8.826 13.239 6.590 1.00 0.00 N ATOM 878 CA VAL A1124 9.038 11.831 6.271 1.00 0.00 C ATOM 879 C VAL A1124 9.771 11.674 4.948 1.00 0.00 C ATOM 880 O VAL A1124 9.989 12.645 4.223 1.00 0.00 O ATOM 881 CB VAL A1124 7.716 11.029 6.213 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.096 10.904 7.592 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.729 11.670 5.253 1.00 0.00 C ATOM 0 H VAL A1124 8.403 13.787 5.840 1.00 0.00 H new ATOM 0 HA VAL A1124 9.646 11.428 7.081 1.00 0.00 H new ATOM 0 HB VAL A1124 7.954 10.030 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.168 10.336 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.789 10.388 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.885 11.898 7.987 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.809 11.085 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.507 12.685 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.162 11.701 4.253 1.00 0.00 H new ATOM 893 N HIS A1125 10.159 10.449 4.645 1.00 0.00 N ATOM 894 CA HIS A1125 10.870 10.165 3.412 1.00 0.00 C ATOM 895 C HIS A1125 10.295 8.904 2.775 1.00 0.00 C ATOM 896 O HIS A1125 9.989 7.937 3.476 1.00 0.00 O ATOM 897 CB HIS A1125 12.361 10.000 3.708 1.00 0.00 C ATOM 898 CG HIS A1125 13.256 10.293 2.544 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.435 11.559 2.034 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.032 9.477 1.800 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.281 11.508 1.024 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.661 10.255 0.860 1.00 0.00 N ATOM 0 H HIS A1125 9.994 9.634 5.236 1.00 0.00 H new ATOM 0 HA HIS A1125 10.749 10.992 2.712 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.631 10.659 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.542 8.979 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.138 8.409 1.922 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.608 12.350 0.431 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.314 9.920 0.152 1.00 0.00 H new ATOM 911 N ILE A1126 10.141 8.925 1.458 1.00 0.00 N ATOM 912 CA ILE A1126 9.504 7.823 0.748 1.00 0.00 C ATOM 913 C ILE A1126 10.504 6.712 0.446 1.00 0.00 C ATOM 914 O ILE A1126 11.574 6.955 -0.119 1.00 0.00 O ATOM 915 CB ILE A1126 8.827 8.285 -0.574 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.527 9.053 -0.299 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.538 7.101 -1.486 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.721 10.472 0.189 1.00 0.00 C ATOM 0 H ILE A1126 10.448 9.692 0.860 1.00 0.00 H new ATOM 0 HA ILE A1126 8.728 7.440 1.410 1.00 0.00 H new ATOM 0 HB ILE A1126 9.527 8.954 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A1126 6.934 9.076 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.947 8.504 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.065 7.454 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.471 6.595 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.870 6.405 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.749 10.935 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.284 10.462 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.271 11.042 -0.560 1.00 0.00 H new ATOM 930 N LEU A1127 10.148 5.493 0.832 1.00 0.00 N ATOM 931 CA LEU A1127 10.975 4.333 0.568 1.00 0.00 C ATOM 932 C LEU A1127 10.417 3.547 -0.604 1.00 0.00 C ATOM 933 O LEU A1127 9.453 2.792 -0.475 1.00 0.00 O ATOM 934 CB LEU A1127 11.086 3.432 1.797 1.00 0.00 C ATOM 935 CG LEU A1127 12.086 3.888 2.861 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.607 5.147 3.556 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.306 2.781 3.864 1.00 0.00 C ATOM 0 H LEU A1127 9.284 5.286 1.333 1.00 0.00 H new ATOM 0 HA LEU A1127 11.975 4.688 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.102 3.354 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.364 2.431 1.468 1.00 0.00 H new ATOM 0 HG LEU A1127 13.032 4.118 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.337 5.448 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.490 5.945 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.649 4.954 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.019 3.111 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.359 2.531 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.699 1.901 3.354 1.00 0.00 H new ATOM 949 N SER A1128 11.024 3.755 -1.748 1.00 0.00 N ATOM 950 CA SER A1128 10.663 3.039 -2.957 1.00 0.00 C ATOM 951 C SER A1128 11.780 2.072 -3.321 1.00 0.00 C ATOM 952 O SER A1128 12.030 1.789 -4.492 1.00 0.00 O ATOM 953 CB SER A1128 10.403 4.030 -4.094 1.00 0.00 C ATOM 954 OG SER A1128 11.443 4.992 -4.183 1.00 0.00 O ATOM 0 H SER A1128 11.783 4.425 -1.871 1.00 0.00 H new ATOM 0 HA SER A1128 9.748 2.470 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A1128 10.320 3.491 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A1128 9.451 4.534 -3.930 1.00 0.00 H new ATOM 0 HG SER A1128 11.253 5.612 -4.918 1.00 0.00 H new ATOM 960 N ASP A1129 12.440 1.570 -2.291 1.00 0.00 N ATOM 961 CA ASP A1129 13.604 0.718 -2.457 1.00 0.00 C ATOM 962 C ASP A1129 13.434 -0.564 -1.661 1.00 0.00 C ATOM 963 O ASP A1129 13.558 -1.655 -2.251 1.00 0.00 O ATOM 964 CB ASP A1129 14.866 1.455 -2.006 1.00 0.00 C ATOM 965 CG ASP A1129 16.109 0.600 -2.116 1.00 0.00 C ATOM 966 OD1 ASP A1129 16.609 0.409 -3.241 1.00 0.00 O ATOM 967 OD2 ASP A1129 16.599 0.115 -1.072 1.00 0.00 O ATOM 968 OXT ASP A1129 13.142 -0.474 -0.451 1.00 0.00 O ATOM 0 H ASP A1129 12.184 1.741 -1.319 1.00 0.00 H new ATOM 0 HA ASP A1129 13.704 0.464 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.993 2.354 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A1129 14.743 1.780 -0.973 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.598 7.914 12.969 1.00 0.00 N ATOM 975 CA CYS B1578 18.476 8.955 12.391 1.00 0.00 C ATOM 976 C CYS B1578 17.669 10.198 12.043 1.00 0.00 C ATOM 977 O CYS B1578 16.825 10.165 11.144 1.00 0.00 O ATOM 978 CB CYS B1578 19.166 8.432 11.128 1.00 0.00 C ATOM 979 SG CYS B1578 20.180 6.958 11.379 1.00 0.00 S ATOM 0 HA CYS B1578 19.231 9.211 13.134 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.405 8.210 10.380 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.794 9.223 10.719 1.00 0.00 H new ATOM 0 HG CYS B1578 20.714 6.601 10.249 1.00 0.00 H new ATOM 987 N ILE B1579 17.921 11.288 12.759 1.00 0.00 N ATOM 988 CA ILE B1579 17.263 12.550 12.466 1.00 0.00 C ATOM 989 C ILE B1579 17.919 13.214 11.273 1.00 0.00 C ATOM 990 O ILE B1579 19.140 13.386 11.232 1.00 0.00 O ATOM 991 CB ILE B1579 17.293 13.533 13.659 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.367 13.056 14.774 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.899 14.939 13.213 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.169 14.090 15.861 1.00 0.00 C ATOM 0 H ILE B1579 18.573 11.321 13.542 1.00 0.00 H new ATOM 0 HA ILE B1579 16.221 12.313 12.252 1.00 0.00 H new ATOM 0 HB ILE B1579 18.313 13.565 14.043 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.398 12.795 14.348 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.776 12.147 15.215 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.927 15.613 14.069 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.597 15.288 12.452 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.891 14.920 12.799 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.501 13.692 16.625 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.131 14.333 16.312 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.732 14.991 15.431 1.00 0.00 H new ATOM 1006 N ILE B1580 17.108 13.568 10.303 1.00 0.00 N ATOM 1007 CA ILE B1580 17.582 14.299 9.153 1.00 0.00 C ATOM 1008 C ILE B1580 17.601 15.783 9.476 1.00 0.00 C ATOM 1009 O ILE B1580 16.595 16.334 9.875 1.00 0.00 O ATOM 1010 CB ILE B1580 16.699 14.015 7.907 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.207 12.778 7.168 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.634 15.209 6.966 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.201 11.534 8.020 1.00 0.00 C ATOM 0 H ILE B1580 16.110 13.359 10.289 1.00 0.00 H new ATOM 0 HA ILE B1580 18.594 13.970 8.916 1.00 0.00 H new ATOM 0 HB ILE B1580 15.685 13.828 8.261 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.589 12.610 6.286 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.221 12.964 6.815 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.006 14.964 6.110 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.212 16.065 7.493 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.638 15.455 6.621 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.573 10.692 7.437 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.842 11.685 8.889 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.184 11.325 8.351 1.00 0.00 H new ATOM 1025 N SER B1581 18.776 16.384 9.397 1.00 0.00 N ATOM 1026 CA SER B1581 18.915 17.830 9.456 1.00 0.00 C ATOM 1027 C SER B1581 18.303 18.414 10.737 1.00 0.00 C ATOM 1028 O SER B1581 18.221 17.749 11.773 1.00 0.00 O ATOM 1029 CB SER B1581 18.232 18.431 8.225 1.00 0.00 C ATOM 1030 OG SER B1581 18.541 19.809 8.053 1.00 0.00 O ATOM 0 H SER B1581 19.659 15.885 9.290 1.00 0.00 H new ATOM 0 HA SER B1581 19.976 18.080 9.468 1.00 0.00 H new ATOM 0 HB2 SER B1581 18.539 17.879 7.337 1.00 0.00 H new ATOM 0 HB3 SER B1581 17.152 18.312 8.317 1.00 0.00 H new ATOM 0 HG SER B1581 18.085 20.149 7.255 1.00 0.00 H new ATOM 1036 N ALA B1582 17.913 19.677 10.659 1.00 0.00 N ATOM 1037 CA ALA B1582 17.136 20.310 11.702 1.00 0.00 C ATOM 1038 C ALA B1582 15.662 20.246 11.324 1.00 0.00 C ATOM 1039 O ALA B1582 15.333 20.040 10.155 1.00 0.00 O ATOM 1040 CB ALA B1582 17.580 21.749 11.898 1.00 0.00 C ATOM 0 H ALA B1582 18.128 20.287 9.870 1.00 0.00 H new ATOM 0 HA ALA B1582 17.291 19.785 12.645 1.00 0.00 H new ATOM 0 HB1 ALA B1582 16.985 22.209 12.686 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.633 21.770 12.179 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.442 22.302 10.969 1.00 0.00 H new ATOM 1046 N MET B1583 14.786 20.424 12.302 1.00 0.00 N ATOM 1047 CA MET B1583 13.346 20.272 12.089 1.00 0.00 C ATOM 1048 C MET B1583 12.822 21.162 10.957 1.00 0.00 C ATOM 1049 O MET B1583 13.152 22.348 10.882 1.00 0.00 O ATOM 1050 CB MET B1583 12.592 20.583 13.383 1.00 0.00 C ATOM 1051 CG MET B1583 11.089 20.667 13.193 1.00 0.00 C ATOM 1052 SD MET B1583 10.174 19.696 14.398 1.00 0.00 S ATOM 1053 CE MET B1583 10.647 18.048 13.888 1.00 0.00 C ATOM 0 H MET B1583 15.044 20.675 13.256 1.00 0.00 H new ATOM 0 HA MET B1583 13.172 19.237 11.794 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.816 19.812 14.121 1.00 0.00 H new ATOM 0 HB3 MET B1583 12.954 21.528 13.789 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.777 21.709 13.262 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.835 20.324 12.190 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.869 17.444 14.768 1.00 0.00 H new ATOM 0 HE2 MET B1583 9.829 17.591 13.331 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.531 18.103 13.253 1.00 0.00 H new ATOM 1063 N PRO B1584 11.979 20.589 10.069 1.00 0.00 N ATOM 1064 CA PRO B1584 11.355 21.321 8.983 1.00 0.00 C ATOM 1065 C PRO B1584 10.088 22.006 9.450 1.00 0.00 C ATOM 1066 O PRO B1584 9.740 21.959 10.632 1.00 0.00 O ATOM 1067 CB PRO B1584 11.032 20.223 7.979 1.00 0.00 C ATOM 1068 CG PRO B1584 10.704 19.049 8.825 1.00 0.00 C ATOM 1069 CD PRO B1584 11.544 19.179 10.069 1.00 0.00 C ATOM 0 HA PRO B1584 11.987 22.111 8.577 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.194 20.501 7.339 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.879 20.019 7.324 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.643 19.032 9.072 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.925 18.119 8.302 1.00 0.00 H new ATOM 0 HD2 PRO B1584 10.969 18.940 10.964 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.396 18.500 10.046 1.00 0.00 H new ATOM 1077 N THR B1585 9.397 22.631 8.533 1.00 0.00 N ATOM 1078 CA THR B1585 8.194 23.343 8.870 1.00 0.00 C ATOM 1079 C THR B1585 6.991 22.545 8.418 1.00 0.00 C ATOM 1080 O THR B1585 6.998 21.975 7.328 1.00 0.00 O ATOM 1081 CB THR B1585 8.158 24.728 8.197 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.415 25.395 8.380 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.039 25.585 8.775 1.00 0.00 C ATOM 0 H THR B1585 9.648 22.661 7.545 1.00 0.00 H new ATOM 0 HA THR B1585 8.174 23.481 9.951 1.00 0.00 H new ATOM 0 HB THR B1585 7.972 24.583 7.133 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.385 26.274 7.948 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.035 26.558 8.283 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.081 25.091 8.611 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.199 25.720 9.845 1.00 0.00 H new ATOM 1091 N LYS B1586 5.984 22.473 9.277 1.00 0.00 N ATOM 1092 CA LYS B1586 4.715 21.884 8.908 1.00 0.00 C ATOM 1093 C LYS B1586 4.256 22.517 7.605 1.00 0.00 C ATOM 1094 O LYS B1586 4.007 23.721 7.551 1.00 0.00 O ATOM 1095 CB LYS B1586 3.690 22.126 10.012 1.00 0.00 C ATOM 1096 CG LYS B1586 2.470 21.225 9.942 1.00 0.00 C ATOM 1097 CD LYS B1586 1.415 21.670 10.938 1.00 0.00 C ATOM 1098 CE LYS B1586 1.930 21.622 12.371 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.234 22.608 13.248 1.00 0.00 N ATOM 0 H LYS B1586 6.027 22.818 10.236 1.00 0.00 H new ATOM 0 HA LYS B1586 4.821 20.807 8.775 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.175 21.987 10.978 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.363 23.165 9.966 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.056 21.243 8.934 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.760 20.195 10.149 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.097 22.685 10.700 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.537 21.031 10.846 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.791 20.618 12.773 1.00 0.00 H new ATOM 0 HE3 LYS B1586 3.001 21.823 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.566 22.496 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.443 23.573 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.208 22.444 13.209 1.00 0.00 H new ATOM 1113 N SER B1587 4.180 21.704 6.564 1.00 0.00 N ATOM 1114 CA SER B1587 3.942 22.188 5.206 1.00 0.00 C ATOM 1115 C SER B1587 2.625 22.960 5.085 1.00 0.00 C ATOM 1116 O SER B1587 2.428 23.704 4.123 1.00 0.00 O ATOM 1117 CB SER B1587 3.959 21.002 4.236 1.00 0.00 C ATOM 1118 OG SER B1587 3.873 21.418 2.888 1.00 0.00 O ATOM 0 H SER B1587 4.281 20.691 6.632 1.00 0.00 H new ATOM 0 HA SER B1587 4.739 22.887 4.953 1.00 0.00 H new ATOM 0 HB2 SER B1587 4.875 20.429 4.381 1.00 0.00 H new ATOM 0 HB3 SER B1587 3.127 20.336 4.463 1.00 0.00 H new ATOM 0 HG SER B1587 4.724 21.240 2.436 1.00 0.00 H new ATOM 1124 N SER B1588 1.750 22.803 6.083 1.00 0.00 N ATOM 1125 CA SER B1588 0.421 23.405 6.064 1.00 0.00 C ATOM 1126 C SER B1588 -0.388 22.846 4.902 1.00 0.00 C ATOM 1127 O SER B1588 -0.277 23.306 3.765 1.00 0.00 O ATOM 1128 CB SER B1588 0.510 24.933 5.990 1.00 0.00 C ATOM 1129 OG SER B1588 1.177 25.459 7.129 1.00 0.00 O ATOM 0 H SER B1588 1.945 22.257 6.922 1.00 0.00 H new ATOM 0 HA SER B1588 -0.088 23.152 6.994 1.00 0.00 H new ATOM 0 HB2 SER B1588 1.042 25.227 5.085 1.00 0.00 H new ATOM 0 HB3 SER B1588 -0.492 25.357 5.923 1.00 0.00 H new ATOM 0 HG SER B1588 1.223 26.435 7.059 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.190 21.835 5.204 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.942 21.120 4.187 1.00 0.00 C ATOM 1137 C ARG B1589 -2.839 22.078 3.421 1.00 0.00 C ATOM 1138 O ARG B1589 -3.645 22.796 4.009 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.763 20.004 4.837 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.255 18.956 3.855 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.462 17.618 4.544 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.825 17.425 5.028 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.149 17.211 6.299 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -4.228 17.277 7.250 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.402 16.930 6.615 1.00 0.00 N ATOM 0 H ARG B1589 -1.336 21.491 6.153 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.246 20.671 3.478 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.157 19.517 5.601 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.621 20.445 5.344 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.191 19.286 3.405 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.534 18.844 3.045 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.213 16.816 3.849 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.771 17.538 5.383 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.581 17.456 4.344 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -3.261 17.494 7.009 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -4.486 17.111 8.223 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.113 16.879 5.885 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -6.658 16.765 7.588 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.692 22.086 2.105 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.448 22.993 1.258 1.00 0.00 C ATOM 1161 C LYS B1590 -4.889 22.503 1.149 1.00 0.00 C ATOM 1162 O LYS B1590 -5.756 23.166 0.580 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.790 23.121 -0.126 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.356 23.658 -0.086 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.360 22.601 0.381 1.00 0.00 C ATOM 1166 CE LYS B1590 1.010 23.187 0.695 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.635 23.825 -0.491 1.00 0.00 N ATOM 0 H LYS B1590 -2.053 21.472 1.600 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.452 23.987 1.706 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.788 22.143 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.397 23.781 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.073 24.009 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.310 24.519 0.581 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.751 22.105 1.269 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.257 21.838 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.914 23.924 1.493 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.664 22.398 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.586 24.164 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.706 23.130 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.051 24.628 -0.801 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.121 21.322 1.708 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.458 20.781 1.878 1.00 0.00 C ATOM 1183 C ALA B1591 -6.729 20.547 3.364 1.00 0.00 C ATOM 1184 O ALA B1591 -7.327 19.544 3.753 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.610 19.488 1.092 1.00 0.00 C ATOM 0 H ALA B1591 -4.382 20.712 2.057 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.187 21.495 1.495 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.617 19.095 1.230 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.438 19.683 0.034 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.884 18.758 1.449 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.262 21.476 4.195 1.00 0.00 N ATOM 1192 CA LYS B1592 -6.412 21.359 5.642 1.00 0.00 C ATOM 1193 C LYS B1592 -7.876 21.308 6.051 1.00 0.00 C ATOM 1194 O LYS B1592 -8.691 22.120 5.610 1.00 0.00 O ATOM 1195 CB LYS B1592 -5.714 22.518 6.364 1.00 0.00 C ATOM 1196 CG LYS B1592 -4.456 22.100 7.115 1.00 0.00 C ATOM 1197 CD LYS B1592 -4.772 21.146 8.261 1.00 0.00 C ATOM 1198 CE LYS B1592 -5.492 21.851 9.402 1.00 0.00 C ATOM 1199 NZ LYS B1592 -5.847 20.918 10.506 1.00 0.00 N ATOM 0 H LYS B1592 -5.776 22.319 3.890 1.00 0.00 H new ATOM 0 HA LYS B1592 -5.939 20.422 5.936 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -5.454 23.285 5.635 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.413 22.971 7.067 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -3.762 21.621 6.424 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -3.955 22.985 7.507 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.390 20.327 7.892 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -3.847 20.705 8.632 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -4.858 22.648 9.792 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -6.398 22.322 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -6.320 21.445 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -6.487 20.181 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -4.983 20.475 10.877 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.190 20.339 6.893 1.00 0.00 N ATOM 1214 CA LYS B1593 -9.526 20.177 7.421 1.00 0.00 C ATOM 1215 C LYS B1593 -9.561 20.667 8.862 1.00 0.00 C ATOM 1216 O LYS B1593 -9.060 19.997 9.766 1.00 0.00 O ATOM 1217 CB LYS B1593 -9.940 18.708 7.334 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.025 18.198 5.902 1.00 0.00 C ATOM 1219 CD LYS B1593 -9.598 16.742 5.791 1.00 0.00 C ATOM 1220 CE LYS B1593 -10.526 15.812 6.552 1.00 0.00 C ATOM 1221 NZ LYS B1593 -9.995 14.424 6.585 1.00 0.00 N ATOM 0 H LYS B1593 -7.523 19.644 7.228 1.00 0.00 H new ATOM 0 HA LYS B1593 -10.231 20.766 6.835 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -9.224 18.101 7.888 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -10.908 18.580 7.818 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -11.047 18.305 5.539 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -9.393 18.812 5.260 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -9.576 16.451 4.741 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -8.583 16.633 6.174 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -10.655 16.178 7.571 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -11.511 15.816 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -10.513 13.871 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -10.116 13.984 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -8.984 14.445 6.830 1.00 0.00 H new ATOM 1235 N PRO B1594 -10.121 21.860 9.085 1.00 0.00 N ATOM 1236 CA PRO B1594 -10.193 22.470 10.405 1.00 0.00 C ATOM 1237 C PRO B1594 -11.457 22.058 11.152 1.00 0.00 C ATOM 1238 O PRO B1594 -12.134 22.890 11.759 1.00 0.00 O ATOM 1239 CB PRO B1594 -10.222 23.959 10.073 1.00 0.00 C ATOM 1240 CG PRO B1594 -10.916 24.051 8.753 1.00 0.00 C ATOM 1241 CD PRO B1594 -10.738 22.720 8.061 1.00 0.00 C ATOM 0 HA PRO B1594 -9.371 22.175 11.058 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -10.755 24.523 10.838 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -9.214 24.370 10.018 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -11.974 24.275 8.889 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -10.494 24.857 8.152 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -11.692 22.316 7.724 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -10.101 22.811 7.181 1.00 0.00 H new ATOM 1249 N ALA B1595 -11.765 20.773 11.098 1.00 0.00 N ATOM 1250 CA ALA B1595 -12.985 20.254 11.697 1.00 0.00 C ATOM 1251 C ALA B1595 -12.830 20.079 13.204 1.00 0.00 C ATOM 1252 O ALA B1595 -11.714 20.115 13.729 1.00 0.00 O ATOM 1253 CB ALA B1595 -13.373 18.934 11.046 1.00 0.00 C ATOM 0 H ALA B1595 -11.185 20.067 10.644 1.00 0.00 H new ATOM 0 HA ALA B1595 -13.780 20.979 11.524 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -14.288 18.557 11.504 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -13.538 19.089 9.980 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -12.571 18.209 11.187 1.00 0.00 H new ATOM 1259 N GLN B1596 -13.967 19.897 13.880 1.00 0.00 N ATOM 1260 CA GLN B1596 -14.012 19.675 15.324 1.00 0.00 C ATOM 1261 C GLN B1596 -13.475 20.885 16.080 1.00 0.00 C ATOM 1262 O GLN B1596 -14.236 21.865 16.230 1.00 0.00 O ATOM 1263 CB GLN B1596 -13.243 18.405 15.701 1.00 0.00 C ATOM 1264 CG GLN B1596 -13.778 17.158 15.015 1.00 0.00 C ATOM 1265 CD GLN B1596 -12.982 15.917 15.356 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -13.298 15.203 16.305 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -11.941 15.656 14.586 1.00 0.00 N ATOM 1268 OXT GLN B1596 -12.307 20.864 16.518 1.00 0.00 O ATOM 0 H GLN B1596 -14.886 19.900 13.437 1.00 0.00 H new ATOM 0 HA GLN B1596 -15.054 19.538 15.613 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -12.192 18.533 15.441 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -13.289 18.266 16.781 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -14.818 17.008 15.303 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -13.765 17.308 13.935 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -11.714 16.275 13.808 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -11.364 14.835 14.769 1.00 0.00 H new TER 1277 GLN B1596