USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A1074 THR OG1 : rot 132:sc= 1.89 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -105:sc= 0.149 USER MOD Single : A1079 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A1082 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0068) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A1097 THR OG1 : rot -157:sc= -2.37! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -1.01 X(o=-1,f=-0.97) USER MOD Single : A1112 GLN :FLIP amide:sc= -0.215 F(o=-3.7!,f=-0.21) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -30:sc= 0.0722 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.53) USER MOD Single : A1128 SER OG : rot -59:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -0.676 -1.386 -3.189 1.00 0.00 N ATOM 2 CA VAL A1069 -0.550 -0.216 -2.294 1.00 0.00 C ATOM 3 C VAL A1069 -0.710 1.079 -3.078 1.00 0.00 C ATOM 4 O VAL A1069 -1.036 1.050 -4.268 1.00 0.00 O ATOM 5 CB VAL A1069 0.804 -0.202 -1.551 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.929 -1.412 -0.642 1.00 0.00 C ATOM 7 CG2 VAL A1069 1.965 -0.158 -2.531 1.00 0.00 C ATOM 0 HA VAL A1069 -1.345 -0.295 -1.553 1.00 0.00 H new ATOM 0 HB VAL A1069 0.839 0.699 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A1069 1.890 -1.383 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A1069 0.124 -1.400 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A1069 0.863 -2.323 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.906 -0.149 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A1069 1.930 -1.036 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.893 0.743 -3.141 1.00 0.00 H new ATOM 19 N ARG A1070 -0.481 2.208 -2.413 1.00 0.00 N ATOM 20 CA ARG A1070 -0.679 3.516 -3.025 1.00 0.00 C ATOM 21 C ARG A1070 0.160 3.687 -4.283 1.00 0.00 C ATOM 22 O ARG A1070 1.377 3.503 -4.267 1.00 0.00 O ATOM 23 CB ARG A1070 -0.348 4.629 -2.030 1.00 0.00 C ATOM 24 CG ARG A1070 -1.574 5.291 -1.439 1.00 0.00 C ATOM 25 CD ARG A1070 -1.198 6.375 -0.444 1.00 0.00 C ATOM 26 NE ARG A1070 -2.371 7.096 0.047 1.00 0.00 N ATOM 27 CZ ARG A1070 -2.325 8.118 0.901 1.00 0.00 C ATOM 28 NH1 ARG A1070 -1.163 8.529 1.395 1.00 0.00 N ATOM 29 NH2 ARG A1070 -3.446 8.725 1.268 1.00 0.00 N ATOM 0 H ARG A1070 -0.157 2.242 -1.446 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.729 3.582 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A1070 0.258 4.217 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.258 5.384 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -2.176 5.723 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.191 4.541 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.669 5.928 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -0.511 7.078 -0.915 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.287 6.796 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.299 8.062 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -1.135 9.312 2.048 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -4.342 8.409 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -3.412 9.507 1.922 1.00 0.00 H new ATOM 43 N ARG A1071 -0.504 4.034 -5.373 1.00 0.00 N ATOM 44 CA ARG A1071 0.168 4.335 -6.615 1.00 0.00 C ATOM 45 C ARG A1071 -0.345 5.657 -7.136 1.00 0.00 C ATOM 46 O ARG A1071 -1.395 6.128 -6.711 1.00 0.00 O ATOM 47 CB ARG A1071 -0.082 3.248 -7.660 1.00 0.00 C ATOM 48 CG ARG A1071 0.668 1.951 -7.423 1.00 0.00 C ATOM 49 CD ARG A1071 0.355 0.949 -8.521 1.00 0.00 C ATOM 50 NE ARG A1071 1.149 -0.269 -8.414 1.00 0.00 N ATOM 51 CZ ARG A1071 0.756 -1.369 -7.783 1.00 0.00 C ATOM 52 NH1 ARG A1071 -0.411 -1.399 -7.145 1.00 0.00 N ATOM 53 NH2 ARG A1071 1.537 -2.437 -7.798 1.00 0.00 N ATOM 0 H ARG A1071 -1.520 4.113 -5.417 1.00 0.00 H new ATOM 0 HA ARG A1071 1.241 4.384 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.150 3.033 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.194 3.636 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.740 2.144 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.392 1.536 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -0.704 0.692 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.535 1.411 -9.491 1.00 0.00 H new ATOM 0 HE ARG A1071 2.069 -0.277 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -1.010 -0.573 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -0.707 -2.248 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A1071 2.430 -2.409 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A1071 1.246 -3.288 -7.317 1.00 0.00 H new ATOM 67 N VAL A1072 0.407 6.260 -8.025 1.00 0.00 N ATOM 68 CA VAL A1072 -0.008 7.473 -8.701 1.00 0.00 C ATOM 69 C VAL A1072 0.474 7.412 -10.149 1.00 0.00 C ATOM 70 O VAL A1072 1.533 6.856 -10.427 1.00 0.00 O ATOM 71 CB VAL A1072 0.565 8.735 -8.014 1.00 0.00 C ATOM 72 CG1 VAL A1072 0.058 8.869 -6.585 1.00 0.00 C ATOM 73 CG2 VAL A1072 2.085 8.723 -8.032 1.00 0.00 C ATOM 0 H VAL A1072 1.329 5.924 -8.304 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.095 7.541 -8.659 1.00 0.00 H new ATOM 0 HB VAL A1072 0.217 9.599 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.480 9.766 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.030 8.942 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.360 7.995 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.462 9.621 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.448 7.842 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.436 8.697 -9.063 1.00 0.00 H new ATOM 83 N LYS A1073 -0.306 7.942 -11.072 1.00 0.00 N ATOM 84 CA LYS A1073 0.104 8.001 -12.460 1.00 0.00 C ATOM 85 C LYS A1073 0.283 9.442 -12.879 1.00 0.00 C ATOM 86 O LYS A1073 -0.666 10.216 -12.907 1.00 0.00 O ATOM 87 CB LYS A1073 -0.898 7.321 -13.385 1.00 0.00 C ATOM 88 CG LYS A1073 -0.604 7.603 -14.849 1.00 0.00 C ATOM 89 CD LYS A1073 -1.538 6.862 -15.775 1.00 0.00 C ATOM 90 CE LYS A1073 -1.217 5.379 -15.815 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.797 4.721 -17.014 1.00 0.00 N ATOM 0 H LYS A1073 -1.227 8.338 -10.885 1.00 0.00 H new ATOM 0 HA LYS A1073 1.049 7.465 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -0.879 6.245 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.904 7.664 -13.145 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -0.687 8.674 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A1073 0.425 7.320 -15.072 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -2.567 7.004 -15.446 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -1.464 7.279 -16.779 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.136 5.241 -15.812 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.602 4.899 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -1.556 3.709 -17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -2.831 4.831 -17.004 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -1.410 5.162 -17.873 1.00 0.00 H new ATOM 105 N THR A1074 1.504 9.778 -13.200 1.00 0.00 N ATOM 106 CA THR A1074 1.866 11.128 -13.571 1.00 0.00 C ATOM 107 C THR A1074 1.033 11.642 -14.745 1.00 0.00 C ATOM 108 O THR A1074 1.147 11.160 -15.871 1.00 0.00 O ATOM 109 CB THR A1074 3.361 11.183 -13.911 1.00 0.00 C ATOM 110 OG1 THR A1074 3.652 10.318 -15.012 1.00 0.00 O ATOM 111 CG2 THR A1074 4.175 10.744 -12.704 1.00 0.00 C ATOM 0 H THR A1074 2.284 9.121 -13.213 1.00 0.00 H new ATOM 0 HA THR A1074 1.658 11.779 -12.721 1.00 0.00 H new ATOM 0 HB THR A1074 3.621 12.207 -14.181 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.190 10.800 -15.674 1.00 0.00 H new ATOM 0 HG21 THR A1074 5.237 10.784 -12.947 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.970 11.409 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.903 9.724 -12.433 1.00 0.00 H new ATOM 119 N ILE A1075 0.178 12.615 -14.465 1.00 0.00 N ATOM 120 CA ILE A1075 -0.661 13.216 -15.489 1.00 0.00 C ATOM 121 C ILE A1075 -0.073 14.555 -15.920 1.00 0.00 C ATOM 122 O ILE A1075 -0.655 15.283 -16.725 1.00 0.00 O ATOM 123 CB ILE A1075 -2.117 13.406 -14.998 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.124 14.056 -13.610 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.860 12.073 -14.983 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.505 14.249 -13.023 1.00 0.00 C ATOM 0 H ILE A1075 0.048 13.006 -13.532 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.687 12.538 -16.342 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.637 14.068 -15.691 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.535 13.441 -12.930 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.629 15.025 -13.672 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.881 12.229 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.880 11.656 -15.990 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.351 11.380 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.421 14.714 -12.041 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.093 14.891 -13.679 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.997 13.281 -12.925 1.00 0.00 H new ATOM 138 N TYR A1076 1.089 14.866 -15.363 1.00 0.00 N ATOM 139 CA TYR A1076 1.834 16.065 -15.715 1.00 0.00 C ATOM 140 C TYR A1076 3.316 15.734 -15.838 1.00 0.00 C ATOM 141 O TYR A1076 3.852 14.961 -15.044 1.00 0.00 O ATOM 142 CB TYR A1076 1.650 17.162 -14.661 1.00 0.00 C ATOM 143 CG TYR A1076 0.256 17.749 -14.584 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.111 18.823 -15.383 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.684 17.244 -13.695 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.374 19.377 -15.298 1.00 0.00 C ATOM 147 CE2 TYR A1076 -1.950 17.789 -13.606 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.290 18.855 -14.407 1.00 0.00 C ATOM 149 OH TYR A1076 -3.546 19.410 -14.312 1.00 0.00 O ATOM 0 H TYR A1076 1.542 14.292 -14.652 1.00 0.00 H new ATOM 0 HA TYR A1076 1.452 16.430 -16.668 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.910 16.754 -13.684 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.356 17.966 -14.869 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.602 19.232 -16.083 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.420 16.410 -13.062 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.643 20.214 -15.925 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.669 17.381 -12.911 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.068 18.925 -13.639 1.00 0.00 H new ATOM 159 N ASP A1077 3.955 16.294 -16.853 1.00 0.00 N ATOM 160 CA ASP A1077 5.394 16.165 -17.036 1.00 0.00 C ATOM 161 C ASP A1077 6.139 16.920 -15.941 1.00 0.00 C ATOM 162 O ASP A1077 5.870 18.099 -15.702 1.00 0.00 O ATOM 163 CB ASP A1077 5.784 16.718 -18.409 1.00 0.00 C ATOM 164 CG ASP A1077 7.266 16.604 -18.696 1.00 0.00 C ATOM 165 OD1 ASP A1077 7.706 15.507 -19.085 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.982 17.620 -18.556 1.00 0.00 O ATOM 0 H ASP A1077 3.493 16.850 -17.572 1.00 0.00 H new ATOM 0 HA ASP A1077 5.667 15.111 -16.977 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.229 16.184 -19.180 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.488 17.765 -18.470 1.00 0.00 H new ATOM 171 N CYS A1078 7.067 16.246 -15.275 1.00 0.00 N ATOM 172 CA CYS A1078 7.841 16.875 -14.219 1.00 0.00 C ATOM 173 C CYS A1078 9.333 16.679 -14.454 1.00 0.00 C ATOM 174 O CYS A1078 9.912 15.659 -14.060 1.00 0.00 O ATOM 175 CB CYS A1078 7.459 16.314 -12.852 1.00 0.00 C ATOM 176 SG CYS A1078 8.351 17.047 -11.458 1.00 0.00 S ATOM 0 H CYS A1078 7.300 15.268 -15.448 1.00 0.00 H new ATOM 0 HA CYS A1078 7.616 17.941 -14.235 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.390 16.462 -12.700 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.635 15.238 -12.854 1.00 0.00 H new ATOM 0 HG CYS A1078 9.247 16.209 -11.027 1.00 0.00 H new ATOM 182 N GLN A1079 9.953 17.647 -15.104 1.00 0.00 N ATOM 183 CA GLN A1079 11.388 17.628 -15.297 1.00 0.00 C ATOM 184 C GLN A1079 12.073 18.316 -14.125 1.00 0.00 C ATOM 185 O GLN A1079 12.303 19.527 -14.143 1.00 0.00 O ATOM 186 CB GLN A1079 11.754 18.282 -16.627 1.00 0.00 C ATOM 187 CG GLN A1079 11.507 17.373 -17.821 1.00 0.00 C ATOM 188 CD GLN A1079 11.707 18.076 -19.145 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.826 18.151 -19.656 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.624 18.563 -19.726 1.00 0.00 N ATOM 0 H GLN A1079 9.482 18.457 -15.507 1.00 0.00 H new ATOM 0 HA GLN A1079 11.736 16.596 -15.334 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.175 19.197 -16.748 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.805 18.570 -16.607 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.179 16.516 -17.765 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.490 16.984 -17.771 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.717 18.479 -19.267 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.695 19.023 -20.634 1.00 0.00 H new ATOM 199 N ALA A1080 12.369 17.517 -13.107 1.00 0.00 N ATOM 200 CA ALA A1080 12.944 17.991 -11.851 1.00 0.00 C ATOM 201 C ALA A1080 14.157 18.888 -12.066 1.00 0.00 C ATOM 202 O ALA A1080 14.985 18.648 -12.951 1.00 0.00 O ATOM 203 CB ALA A1080 13.333 16.803 -10.992 1.00 0.00 C ATOM 0 H ALA A1080 12.215 16.509 -13.129 1.00 0.00 H new ATOM 0 HA ALA A1080 12.184 18.590 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.762 17.157 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.449 16.201 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.068 16.196 -11.521 1.00 0.00 H new ATOM 209 N ASP A1081 14.254 19.912 -11.233 1.00 0.00 N ATOM 210 CA ASP A1081 15.358 20.855 -11.295 1.00 0.00 C ATOM 211 C ASP A1081 16.425 20.450 -10.292 1.00 0.00 C ATOM 212 O ASP A1081 17.620 20.658 -10.513 1.00 0.00 O ATOM 213 CB ASP A1081 14.870 22.275 -11.005 1.00 0.00 C ATOM 214 CG ASP A1081 15.976 23.303 -11.125 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.322 23.678 -12.265 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.509 23.740 -10.086 1.00 0.00 O ATOM 0 H ASP A1081 13.574 20.112 -10.499 1.00 0.00 H new ATOM 0 HA ASP A1081 15.782 20.840 -12.299 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.066 22.528 -11.696 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.450 22.313 -10.000 1.00 0.00 H new ATOM 221 N ASN A1082 15.977 19.862 -9.191 1.00 0.00 N ATOM 222 CA ASN A1082 16.875 19.341 -8.168 1.00 0.00 C ATOM 223 C ASN A1082 16.727 17.832 -8.086 1.00 0.00 C ATOM 224 O ASN A1082 15.660 17.293 -8.358 1.00 0.00 O ATOM 225 CB ASN A1082 16.566 19.963 -6.802 1.00 0.00 C ATOM 226 CG ASN A1082 16.746 21.468 -6.790 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.842 21.971 -6.540 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.668 22.195 -7.038 1.00 0.00 N ATOM 0 H ASN A1082 14.987 19.733 -8.982 1.00 0.00 H new ATOM 0 HA ASN A1082 17.898 19.599 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.541 19.722 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A1082 17.216 19.517 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.726 23.213 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.779 21.737 -7.241 1.00 0.00 H new ATOM 235 N ASP A1083 17.801 17.154 -7.702 1.00 0.00 N ATOM 236 CA ASP A1083 17.819 15.693 -7.670 1.00 0.00 C ATOM 237 C ASP A1083 17.036 15.166 -6.466 1.00 0.00 C ATOM 238 O ASP A1083 16.859 13.960 -6.302 1.00 0.00 O ATOM 239 CB ASP A1083 19.263 15.186 -7.649 1.00 0.00 C ATOM 240 CG ASP A1083 19.382 13.738 -8.084 1.00 0.00 C ATOM 241 OD1 ASP A1083 18.874 13.394 -9.173 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.016 12.944 -7.357 1.00 0.00 O ATOM 0 H ASP A1083 18.674 17.592 -7.407 1.00 0.00 H new ATOM 0 HA ASP A1083 17.334 15.318 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.872 15.809 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.667 15.293 -6.642 1.00 0.00 H new ATOM 247 N ASP A1084 16.585 16.088 -5.618 1.00 0.00 N ATOM 248 CA ASP A1084 15.688 15.756 -4.510 1.00 0.00 C ATOM 249 C ASP A1084 14.284 15.539 -5.049 1.00 0.00 C ATOM 250 O ASP A1084 13.472 14.810 -4.472 1.00 0.00 O ATOM 251 CB ASP A1084 15.655 16.886 -3.475 1.00 0.00 C ATOM 252 CG ASP A1084 17.020 17.210 -2.907 1.00 0.00 C ATOM 253 OD1 ASP A1084 17.795 17.918 -3.585 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.316 16.782 -1.774 1.00 0.00 O ATOM 0 H ASP A1084 16.827 17.077 -5.677 1.00 0.00 H new ATOM 0 HA ASP A1084 16.055 14.850 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.238 17.781 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.986 16.606 -2.661 1.00 0.00 H new ATOM 259 N GLU A1085 14.016 16.199 -6.163 1.00 0.00 N ATOM 260 CA GLU A1085 12.745 16.099 -6.853 1.00 0.00 C ATOM 261 C GLU A1085 12.788 14.922 -7.809 1.00 0.00 C ATOM 262 O GLU A1085 13.842 14.596 -8.360 1.00 0.00 O ATOM 263 CB GLU A1085 12.477 17.384 -7.637 1.00 0.00 C ATOM 264 CG GLU A1085 12.476 18.636 -6.783 1.00 0.00 C ATOM 265 CD GLU A1085 12.947 19.862 -7.550 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.074 19.787 -8.790 1.00 0.00 O ATOM 267 OE2 GLU A1085 13.216 20.900 -6.909 1.00 0.00 O ATOM 0 H GLU A1085 14.682 16.825 -6.617 1.00 0.00 H new ATOM 0 HA GLU A1085 11.948 15.953 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.233 17.488 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.513 17.298 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.470 18.813 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.121 18.483 -5.918 1.00 0.00 H new ATOM 274 N LEU A1086 11.660 14.273 -8.007 1.00 0.00 N ATOM 275 CA LEU A1086 11.622 13.157 -8.930 1.00 0.00 C ATOM 276 C LEU A1086 11.410 13.644 -10.353 1.00 0.00 C ATOM 277 O LEU A1086 10.617 14.549 -10.609 1.00 0.00 O ATOM 278 CB LEU A1086 10.538 12.144 -8.567 1.00 0.00 C ATOM 279 CG LEU A1086 10.434 10.973 -9.547 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.743 10.207 -9.613 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.303 10.046 -9.165 1.00 0.00 C ATOM 0 H LEU A1086 10.774 14.492 -7.552 1.00 0.00 H new ATOM 0 HA LEU A1086 12.587 12.655 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.738 11.754 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.576 12.655 -8.523 1.00 0.00 H new ATOM 0 HG LEU A1086 10.223 11.383 -10.535 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.645 9.379 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.538 10.874 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.987 9.817 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.251 9.223 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.479 9.650 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.362 10.596 -9.177 1.00 0.00 H new ATOM 293 N THR A1087 12.127 13.027 -11.271 1.00 0.00 N ATOM 294 CA THR A1087 12.003 13.346 -12.676 1.00 0.00 C ATOM 295 C THR A1087 11.167 12.280 -13.367 1.00 0.00 C ATOM 296 O THR A1087 11.471 11.087 -13.282 1.00 0.00 O ATOM 297 CB THR A1087 13.384 13.430 -13.348 1.00 0.00 C ATOM 298 OG1 THR A1087 14.290 14.142 -12.496 1.00 0.00 O ATOM 299 CG2 THR A1087 13.294 14.131 -14.695 1.00 0.00 C ATOM 0 H THR A1087 12.807 12.295 -11.064 1.00 0.00 H new ATOM 0 HA THR A1087 11.517 14.317 -12.766 1.00 0.00 H new ATOM 0 HB THR A1087 13.749 12.416 -13.512 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.170 14.193 -12.924 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.284 14.177 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.621 13.577 -15.349 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.912 15.142 -14.554 1.00 0.00 H new ATOM 307 N PHE A1088 10.113 12.710 -14.030 1.00 0.00 N ATOM 308 CA PHE A1088 9.217 11.794 -14.716 1.00 0.00 C ATOM 309 C PHE A1088 8.452 12.529 -15.804 1.00 0.00 C ATOM 310 O PHE A1088 8.401 13.758 -15.813 1.00 0.00 O ATOM 311 CB PHE A1088 8.232 11.151 -13.731 1.00 0.00 C ATOM 312 CG PHE A1088 7.416 12.137 -12.940 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.385 12.849 -13.538 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.676 12.347 -11.596 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.635 13.750 -12.812 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.927 13.246 -10.865 1.00 0.00 C ATOM 317 CZ PHE A1088 5.902 13.949 -11.476 1.00 0.00 C ATOM 0 H PHE A1088 9.853 13.693 -14.110 1.00 0.00 H new ATOM 0 HA PHE A1088 9.818 11.005 -15.168 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.556 10.499 -14.284 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.789 10.519 -13.039 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.168 12.695 -14.585 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.474 11.801 -11.115 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.838 14.300 -13.291 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.140 13.401 -9.818 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.313 14.652 -10.906 1.00 0.00 H new ATOM 327 N ILE A1089 7.856 11.776 -16.712 1.00 0.00 N ATOM 328 CA ILE A1089 7.006 12.355 -17.738 1.00 0.00 C ATOM 329 C ILE A1089 5.604 11.780 -17.619 1.00 0.00 C ATOM 330 O ILE A1089 5.397 10.786 -16.909 1.00 0.00 O ATOM 331 CB ILE A1089 7.547 12.125 -19.175 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.400 10.659 -19.626 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.997 12.571 -19.272 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.247 9.676 -18.855 1.00 0.00 C ATOM 0 H ILE A1089 7.945 10.761 -16.760 1.00 0.00 H new ATOM 0 HA ILE A1089 6.993 13.432 -17.574 1.00 0.00 H new ATOM 0 HB ILE A1089 6.942 12.730 -19.850 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.354 10.368 -19.534 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.658 10.590 -20.683 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.362 12.403 -20.285 1.00 0.00 H new ATOM 0 HG22 ILE A1089 9.068 13.632 -19.031 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.602 11.998 -18.569 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.079 8.670 -19.240 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.299 9.936 -18.967 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.975 9.710 -17.800 1.00 0.00 H new ATOM 346 N GLU A1090 4.646 12.405 -18.290 1.00 0.00 N ATOM 347 CA GLU A1090 3.267 11.940 -18.256 1.00 0.00 C ATOM 348 C GLU A1090 3.171 10.467 -18.642 1.00 0.00 C ATOM 349 O GLU A1090 3.598 10.067 -19.728 1.00 0.00 O ATOM 350 CB GLU A1090 2.401 12.764 -19.200 1.00 0.00 C ATOM 351 CG GLU A1090 2.335 14.239 -18.849 1.00 0.00 C ATOM 352 CD GLU A1090 1.530 15.042 -19.850 1.00 0.00 C ATOM 353 OE1 GLU A1090 0.364 14.683 -20.109 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.066 16.035 -20.385 1.00 0.00 O ATOM 0 H GLU A1090 4.799 13.234 -18.864 1.00 0.00 H new ATOM 0 HA GLU A1090 2.907 12.060 -17.234 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.786 12.659 -20.214 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.390 12.355 -19.199 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.894 14.353 -17.859 1.00 0.00 H new ATOM 0 HG3 GLU A1090 3.347 14.641 -18.796 1.00 0.00 H new ATOM 361 N GLY A1091 2.646 9.664 -17.734 1.00 0.00 N ATOM 362 CA GLY A1091 2.403 8.266 -18.033 1.00 0.00 C ATOM 363 C GLY A1091 3.193 7.331 -17.145 1.00 0.00 C ATOM 364 O GLY A1091 3.029 6.110 -17.214 1.00 0.00 O ATOM 0 H GLY A1091 2.382 9.953 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.340 8.055 -17.921 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.658 8.072 -19.075 1.00 0.00 H new ATOM 368 N GLU A1092 4.050 7.894 -16.306 1.00 0.00 N ATOM 369 CA GLU A1092 4.845 7.086 -15.396 1.00 0.00 C ATOM 370 C GLU A1092 4.038 6.724 -14.160 1.00 0.00 C ATOM 371 O GLU A1092 3.401 7.581 -13.542 1.00 0.00 O ATOM 372 CB GLU A1092 6.124 7.814 -14.980 1.00 0.00 C ATOM 373 CG GLU A1092 7.100 8.037 -16.118 1.00 0.00 C ATOM 374 CD GLU A1092 7.465 6.752 -16.832 1.00 0.00 C ATOM 375 OE1 GLU A1092 8.341 6.014 -16.338 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.877 6.473 -17.899 1.00 0.00 O ATOM 0 H GLU A1092 4.211 8.899 -16.237 1.00 0.00 H new ATOM 0 HA GLU A1092 5.123 6.174 -15.924 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.858 8.779 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.619 7.240 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.665 8.735 -16.833 1.00 0.00 H new ATOM 0 HG3 GLU A1092 8.006 8.502 -15.729 1.00 0.00 H new ATOM 383 N VAL A1093 4.053 5.451 -13.814 1.00 0.00 N ATOM 384 CA VAL A1093 3.425 4.995 -12.595 1.00 0.00 C ATOM 385 C VAL A1093 4.422 5.099 -11.454 1.00 0.00 C ATOM 386 O VAL A1093 5.562 4.674 -11.577 1.00 0.00 O ATOM 387 CB VAL A1093 2.935 3.539 -12.724 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.354 3.034 -11.412 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.917 3.415 -13.850 1.00 0.00 C ATOM 0 H VAL A1093 4.495 4.714 -14.364 1.00 0.00 H new ATOM 0 HA VAL A1093 2.557 5.624 -12.397 1.00 0.00 H new ATOM 0 HB VAL A1093 3.795 2.915 -12.967 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.017 2.005 -11.535 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.118 3.075 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.510 3.660 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.583 2.380 -13.926 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.062 4.058 -13.640 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.377 3.718 -14.791 1.00 0.00 H new ATOM 399 N ILE A1094 3.994 5.694 -10.367 1.00 0.00 N ATOM 400 CA ILE A1094 4.829 5.842 -9.192 1.00 0.00 C ATOM 401 C ILE A1094 4.155 5.176 -8.008 1.00 0.00 C ATOM 402 O ILE A1094 2.955 5.329 -7.807 1.00 0.00 O ATOM 403 CB ILE A1094 5.080 7.329 -8.851 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.767 8.049 -10.013 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.909 7.465 -7.579 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.967 9.529 -9.764 1.00 0.00 C ATOM 0 H ILE A1094 3.059 6.090 -10.268 1.00 0.00 H new ATOM 0 HA ILE A1094 5.789 5.372 -9.405 1.00 0.00 H new ATOM 0 HB ILE A1094 4.111 7.798 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.735 7.584 -10.198 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.172 7.916 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.071 8.521 -7.362 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.379 7.001 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.871 6.971 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.459 9.980 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.999 10.006 -9.608 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.587 9.668 -8.878 1.00 0.00 H new ATOM 418 N ILE A1095 4.917 4.422 -7.244 1.00 0.00 N ATOM 419 CA ILE A1095 4.396 3.822 -6.034 1.00 0.00 C ATOM 420 C ILE A1095 4.716 4.715 -4.850 1.00 0.00 C ATOM 421 O ILE A1095 5.887 4.997 -4.575 1.00 0.00 O ATOM 422 CB ILE A1095 4.961 2.407 -5.791 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.725 1.537 -7.031 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.327 1.786 -4.548 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.888 0.052 -6.794 1.00 0.00 C ATOM 0 H ILE A1095 5.896 4.211 -7.438 1.00 0.00 H new ATOM 0 HA ILE A1095 3.317 3.723 -6.152 1.00 0.00 H new ATOM 0 HB ILE A1095 6.035 2.472 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.718 1.724 -7.405 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.418 1.846 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.736 0.788 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.544 2.408 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.248 1.718 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.703 -0.487 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.902 -0.153 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.176 -0.276 -6.036 1.00 0.00 H new ATOM 437 N VAL A1096 3.674 5.183 -4.180 1.00 0.00 N ATOM 438 CA VAL A1096 3.837 6.035 -3.019 1.00 0.00 C ATOM 439 C VAL A1096 4.371 5.213 -1.858 1.00 0.00 C ATOM 440 O VAL A1096 3.688 4.326 -1.345 1.00 0.00 O ATOM 441 CB VAL A1096 2.509 6.699 -2.605 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.727 7.678 -1.461 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.861 7.395 -3.792 1.00 0.00 C ATOM 0 H VAL A1096 2.704 4.984 -4.424 1.00 0.00 H new ATOM 0 HA VAL A1096 4.541 6.825 -3.281 1.00 0.00 H new ATOM 0 HB VAL A1096 1.834 5.917 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.776 8.134 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.137 7.148 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.425 8.455 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.925 7.857 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.533 8.163 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.659 6.665 -4.576 1.00 0.00 H new ATOM 453 N THR A1097 5.600 5.491 -1.471 1.00 0.00 N ATOM 454 CA THR A1097 6.242 4.748 -0.411 1.00 0.00 C ATOM 455 C THR A1097 6.189 5.535 0.896 1.00 0.00 C ATOM 456 O THR A1097 6.307 4.968 1.982 1.00 0.00 O ATOM 457 CB THR A1097 7.699 4.413 -0.790 1.00 0.00 C ATOM 458 OG1 THR A1097 8.419 5.616 -1.081 1.00 0.00 O ATOM 459 CG2 THR A1097 7.747 3.493 -2.006 1.00 0.00 C ATOM 0 H THR A1097 6.174 6.229 -1.878 1.00 0.00 H new ATOM 0 HA THR A1097 5.705 3.810 -0.269 1.00 0.00 H new ATOM 0 HB THR A1097 8.159 3.903 0.056 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.187 5.407 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.785 3.271 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.221 2.565 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.269 3.985 -2.853 1.00 0.00 H new ATOM 467 N GLY A1098 5.987 6.843 0.780 1.00 0.00 N ATOM 468 CA GLY A1098 5.861 7.691 1.948 1.00 0.00 C ATOM 469 C GLY A1098 5.261 9.044 1.613 1.00 0.00 C ATOM 470 O GLY A1098 4.995 9.341 0.450 1.00 0.00 O ATOM 0 H GLY A1098 5.908 7.333 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.238 7.193 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.843 7.833 2.399 1.00 0.00 H new ATOM 474 N GLU A1099 5.037 9.856 2.630 1.00 0.00 N ATOM 475 CA GLU A1099 4.505 11.201 2.449 1.00 0.00 C ATOM 476 C GLU A1099 5.319 12.178 3.286 1.00 0.00 C ATOM 477 O GLU A1099 5.669 11.870 4.428 1.00 0.00 O ATOM 478 CB GLU A1099 3.028 11.271 2.868 1.00 0.00 C ATOM 479 CG GLU A1099 2.107 10.299 2.134 1.00 0.00 C ATOM 480 CD GLU A1099 1.954 8.966 2.845 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.325 8.936 3.925 1.00 0.00 O ATOM 482 OE2 GLU A1099 2.431 7.940 2.324 1.00 0.00 O ATOM 0 H GLU A1099 5.217 9.606 3.602 1.00 0.00 H new ATOM 0 HA GLU A1099 4.573 11.464 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.959 11.077 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.666 12.286 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.124 10.757 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.498 10.126 1.131 1.00 0.00 H new ATOM 489 N GLU A1100 5.633 13.344 2.730 1.00 0.00 N ATOM 490 CA GLU A1100 6.413 14.332 3.474 1.00 0.00 C ATOM 491 C GLU A1100 5.563 15.562 3.757 1.00 0.00 C ATOM 492 O GLU A1100 5.727 16.233 4.776 1.00 0.00 O ATOM 493 CB GLU A1100 7.700 14.736 2.730 1.00 0.00 C ATOM 494 CG GLU A1100 7.485 15.585 1.488 1.00 0.00 C ATOM 495 CD GLU A1100 8.693 16.448 1.179 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.823 15.921 1.159 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.523 17.672 0.994 1.00 0.00 O ATOM 0 H GLU A1100 5.367 13.626 1.787 1.00 0.00 H new ATOM 0 HA GLU A1100 6.713 13.871 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A1100 8.343 15.283 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A1100 8.236 13.831 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.274 14.937 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A1100 6.611 16.221 1.629 1.00 0.00 H new ATOM 504 N ASP A1101 4.645 15.839 2.850 1.00 0.00 N ATOM 505 CA ASP A1101 3.756 16.976 2.973 1.00 0.00 C ATOM 506 C ASP A1101 2.372 16.557 2.497 1.00 0.00 C ATOM 507 O ASP A1101 2.183 15.410 2.096 1.00 0.00 O ATOM 508 CB ASP A1101 4.295 18.152 2.147 1.00 0.00 C ATOM 509 CG ASP A1101 3.568 19.449 2.418 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.923 20.139 3.389 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.638 19.784 1.661 1.00 0.00 O ATOM 0 H ASP A1101 4.496 15.282 2.009 1.00 0.00 H new ATOM 0 HA ASP A1101 3.694 17.302 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.355 18.285 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A1101 4.214 17.911 1.087 1.00 0.00 H new ATOM 516 N GLN A1102 1.410 17.459 2.522 1.00 0.00 N ATOM 517 CA GLN A1102 0.064 17.120 2.101 1.00 0.00 C ATOM 518 C GLN A1102 -0.038 17.165 0.582 1.00 0.00 C ATOM 519 O GLN A1102 -0.854 16.469 -0.021 1.00 0.00 O ATOM 520 CB GLN A1102 -0.948 18.065 2.742 1.00 0.00 C ATOM 521 CG GLN A1102 -2.385 17.645 2.512 1.00 0.00 C ATOM 522 CD GLN A1102 -3.358 18.393 3.397 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.886 19.440 3.019 1.00 0.00 O ATOM 524 NE2 GLN A1102 -3.586 17.871 4.592 1.00 0.00 N ATOM 0 H GLN A1102 1.533 18.425 2.827 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.163 16.106 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -0.759 18.117 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.801 19.069 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.646 17.814 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.481 16.575 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -3.128 17.002 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.220 18.338 5.240 1.00 0.00 H new ATOM 533 N GLU A1103 0.816 17.972 -0.036 1.00 0.00 N ATOM 534 CA GLU A1103 0.837 18.086 -1.487 1.00 0.00 C ATOM 535 C GLU A1103 2.155 17.568 -2.042 1.00 0.00 C ATOM 536 O GLU A1103 2.452 17.717 -3.230 1.00 0.00 O ATOM 537 CB GLU A1103 0.591 19.535 -1.919 1.00 0.00 C ATOM 538 CG GLU A1103 1.340 20.558 -1.086 1.00 0.00 C ATOM 539 CD GLU A1103 1.067 21.979 -1.521 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.102 22.587 -1.015 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.820 22.500 -2.369 1.00 0.00 O ATOM 0 H GLU A1103 1.501 18.555 0.445 1.00 0.00 H new ATOM 0 HA GLU A1103 0.033 17.473 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.882 19.647 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.477 19.745 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.060 20.443 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.410 20.361 -1.153 1.00 0.00 H new ATOM 548 N TRP A1104 2.923 16.928 -1.173 1.00 0.00 N ATOM 549 CA TRP A1104 4.240 16.408 -1.536 1.00 0.00 C ATOM 550 C TRP A1104 4.447 15.016 -0.962 1.00 0.00 C ATOM 551 O TRP A1104 4.585 14.840 0.251 1.00 0.00 O ATOM 552 CB TRP A1104 5.345 17.344 -1.046 1.00 0.00 C ATOM 553 CG TRP A1104 5.371 18.651 -1.770 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.667 19.777 -1.460 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.143 18.965 -2.933 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.943 20.770 -2.368 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.854 20.296 -3.280 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.052 18.243 -3.712 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.444 20.923 -4.377 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.637 18.862 -4.799 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.332 20.193 -5.123 1.00 0.00 C ATOM 0 H TRP A1104 2.657 16.754 -0.204 1.00 0.00 H new ATOM 0 HA TRP A1104 4.288 16.348 -2.623 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.210 17.529 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.310 16.851 -1.165 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.991 19.874 -0.623 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.538 21.706 -2.365 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.293 17.219 -3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.210 21.947 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.340 18.314 -5.409 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.807 20.651 -5.978 1.00 0.00 H new ATOM 572 N TRP A1105 4.464 14.028 -1.834 1.00 0.00 N ATOM 573 CA TRP A1105 4.627 12.652 -1.407 1.00 0.00 C ATOM 574 C TRP A1105 5.966 12.100 -1.867 1.00 0.00 C ATOM 575 O TRP A1105 6.636 12.690 -2.713 1.00 0.00 O ATOM 576 CB TRP A1105 3.473 11.791 -1.927 1.00 0.00 C ATOM 577 CG TRP A1105 2.170 12.079 -1.240 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.963 12.972 -0.229 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.900 11.471 -1.502 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.651 12.955 0.159 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.027 12.043 -0.608 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.457 10.502 -2.403 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.369 11.674 -0.592 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.875 10.136 -2.384 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.774 10.722 -1.485 1.00 0.00 C ATOM 0 H TRP A1105 4.367 14.152 -2.842 1.00 0.00 H new ATOM 0 HA TRP A1105 4.610 12.625 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.357 11.957 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.723 10.739 -1.793 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.726 13.602 0.203 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.244 13.528 0.898 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.143 10.047 -3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.065 12.124 0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.229 9.385 -3.075 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.809 10.415 -1.497 1.00 0.00 H new ATOM 596 N ILE A1106 6.341 10.970 -1.298 1.00 0.00 N ATOM 597 CA ILE A1106 7.615 10.332 -1.578 1.00 0.00 C ATOM 598 C ILE A1106 7.363 8.933 -2.100 1.00 0.00 C ATOM 599 O ILE A1106 6.496 8.221 -1.596 1.00 0.00 O ATOM 600 CB ILE A1106 8.499 10.248 -0.313 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.868 11.645 0.172 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.759 9.426 -0.576 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.537 11.657 1.529 1.00 0.00 C ATOM 0 H ILE A1106 5.766 10.465 -0.623 1.00 0.00 H new ATOM 0 HA ILE A1106 8.141 10.932 -2.321 1.00 0.00 H new ATOM 0 HB ILE A1106 7.925 9.747 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.533 12.110 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.966 12.256 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.362 9.384 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.479 8.415 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.337 9.891 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.771 12.684 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.866 11.222 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.457 11.074 1.486 1.00 0.00 H new ATOM 615 N GLY A1107 8.094 8.545 -3.117 1.00 0.00 N ATOM 616 CA GLY A1107 7.918 7.227 -3.659 1.00 0.00 C ATOM 617 C GLY A1107 8.962 6.892 -4.682 1.00 0.00 C ATOM 618 O GLY A1107 10.029 7.498 -4.714 1.00 0.00 O ATOM 0 H GLY A1107 8.804 9.115 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.955 6.496 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.930 7.151 -4.112 1.00 0.00 H new ATOM 622 N HIS A1108 8.639 5.939 -5.529 1.00 0.00 N ATOM 623 CA HIS A1108 9.545 5.485 -6.566 1.00 0.00 C ATOM 624 C HIS A1108 8.738 5.109 -7.796 1.00 0.00 C ATOM 625 O HIS A1108 7.594 4.677 -7.674 1.00 0.00 O ATOM 626 CB HIS A1108 10.390 4.287 -6.081 1.00 0.00 C ATOM 627 CG HIS A1108 9.630 3.021 -5.778 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.716 2.366 -4.571 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.825 2.257 -6.552 1.00 0.00 C ATOM 630 CE1 HIS A1108 9.000 1.257 -4.624 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.450 1.166 -5.815 1.00 0.00 N ATOM 0 H HIS A1108 7.741 5.456 -5.520 1.00 0.00 H new ATOM 0 HA HIS A1108 10.236 6.291 -6.815 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.139 4.065 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.928 4.588 -5.182 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.249 2.686 -3.762 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.531 2.470 -7.569 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.885 0.543 -3.822 1.00 0.00 H new ATOM 640 N ILE A1109 9.311 5.285 -8.968 1.00 0.00 N ATOM 641 CA ILE A1109 8.633 4.907 -10.194 1.00 0.00 C ATOM 642 C ILE A1109 8.482 3.389 -10.259 1.00 0.00 C ATOM 643 O ILE A1109 9.458 2.652 -10.137 1.00 0.00 O ATOM 644 CB ILE A1109 9.395 5.421 -11.433 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.523 6.954 -11.370 1.00 0.00 C ATOM 646 CG2 ILE A1109 8.697 4.972 -12.711 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.796 7.701 -12.473 1.00 0.00 C ATOM 0 H ILE A1109 10.240 5.685 -9.100 1.00 0.00 H new ATOM 0 HA ILE A1109 7.644 5.366 -10.193 1.00 0.00 H new ATOM 0 HB ILE A1109 10.399 4.996 -11.439 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.143 7.297 -10.407 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.580 7.218 -11.408 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.247 5.343 -13.576 1.00 0.00 H new ATOM 0 HG22 ILE A1109 8.662 3.883 -12.743 1.00 0.00 H new ATOM 0 HG23 ILE A1109 7.682 5.368 -12.730 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.944 8.773 -12.345 1.00 0.00 H new ATOM 0 HD12 ILE A1109 9.190 7.393 -13.442 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.731 7.474 -12.426 1.00 0.00 H new ATOM 659 N GLU A1110 7.249 2.938 -10.428 1.00 0.00 N ATOM 660 CA GLU A1110 6.939 1.521 -10.499 1.00 0.00 C ATOM 661 C GLU A1110 7.645 0.879 -11.690 1.00 0.00 C ATOM 662 O GLU A1110 7.421 1.263 -12.840 1.00 0.00 O ATOM 663 CB GLU A1110 5.416 1.326 -10.573 1.00 0.00 C ATOM 664 CG GLU A1110 4.986 -0.015 -11.140 1.00 0.00 C ATOM 665 CD GLU A1110 3.567 -0.390 -10.774 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.372 -1.008 -9.707 1.00 0.00 O ATOM 667 OE2 GLU A1110 2.648 -0.082 -11.556 1.00 0.00 O ATOM 0 H GLU A1110 6.435 3.546 -10.520 1.00 0.00 H new ATOM 0 HA GLU A1110 7.303 1.026 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.998 1.435 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A1110 4.989 2.120 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.080 0.010 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.664 -0.789 -10.779 1.00 0.00 H new ATOM 674 N GLY A1111 8.509 -0.083 -11.395 1.00 0.00 N ATOM 675 CA GLY A1111 9.289 -0.735 -12.428 1.00 0.00 C ATOM 676 C GLY A1111 10.667 -0.118 -12.583 1.00 0.00 C ATOM 677 O GLY A1111 11.593 -0.767 -13.069 1.00 0.00 O ATOM 0 H GLY A1111 8.684 -0.426 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.392 -1.794 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A1111 8.756 -0.672 -13.377 1.00 0.00 H new ATOM 681 N GLN A1112 10.804 1.131 -12.156 1.00 0.00 N ATOM 682 CA GLN A1112 12.081 1.834 -12.213 1.00 0.00 C ATOM 683 C GLN A1112 12.454 2.350 -10.825 1.00 0.00 C ATOM 684 O GLN A1112 12.250 3.523 -10.509 1.00 0.00 O ATOM 685 CB GLN A1112 12.033 3.002 -13.212 1.00 0.00 C ATOM 686 CG GLN A1112 12.040 2.582 -14.681 1.00 0.00 C ATOM 687 CD GLN A1112 10.717 2.014 -15.169 1.00 0.00 C ATOM 688 OE1 GLN A1112 9.618 2.504 -14.622 1.00 0.00 O flip ATOM 689 NE2 GLN A1112 10.686 1.154 -16.051 1.00 0.00 N flip ATOM 0 H GLN A1112 10.041 1.682 -11.763 1.00 0.00 H new ATOM 0 HA GLN A1112 12.839 1.129 -12.555 1.00 0.00 H new ATOM 0 HB2 GLN A1112 11.136 3.591 -13.020 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.887 3.654 -13.030 1.00 0.00 H new ATOM 0 HG2 GLN A1112 12.301 3.445 -15.294 1.00 0.00 H new ATOM 0 HG3 GLN A1112 12.821 1.837 -14.831 1.00 0.00 H new ATOM 0 HE21 GLN A1112 11.556 0.800 -16.449 1.00 0.00 H new ATOM 0 HE22 GLN A1112 9.790 0.796 -16.383 1.00 0.00 H new ATOM 698 N PRO A1113 13.013 1.475 -9.973 1.00 0.00 N ATOM 699 CA PRO A1113 13.301 1.789 -8.573 1.00 0.00 C ATOM 700 C PRO A1113 14.504 2.717 -8.399 1.00 0.00 C ATOM 701 O PRO A1113 14.813 3.143 -7.285 1.00 0.00 O ATOM 702 CB PRO A1113 13.582 0.420 -7.932 1.00 0.00 C ATOM 703 CG PRO A1113 13.282 -0.598 -8.985 1.00 0.00 C ATOM 704 CD PRO A1113 13.416 0.104 -10.303 1.00 0.00 C ATOM 0 HA PRO A1113 12.470 2.325 -8.115 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.619 0.348 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.958 0.266 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.973 -1.438 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.277 -1.001 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.436 0.061 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.773 -0.336 -11.065 1.00 0.00 H new ATOM 712 N GLU A1114 15.180 3.030 -9.500 1.00 0.00 N ATOM 713 CA GLU A1114 16.300 3.966 -9.466 1.00 0.00 C ATOM 714 C GLU A1114 15.790 5.395 -9.607 1.00 0.00 C ATOM 715 O GLU A1114 16.563 6.355 -9.645 1.00 0.00 O ATOM 716 CB GLU A1114 17.303 3.651 -10.578 1.00 0.00 C ATOM 717 CG GLU A1114 17.813 2.220 -10.551 1.00 0.00 C ATOM 718 CD GLU A1114 18.381 1.826 -9.205 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.576 2.088 -8.956 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.640 1.236 -8.393 1.00 0.00 O ATOM 0 H GLU A1114 14.973 2.651 -10.424 1.00 0.00 H new ATOM 0 HA GLU A1114 16.808 3.863 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.834 3.842 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.150 4.331 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A1114 16.998 1.544 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.581 2.098 -11.314 1.00 0.00 H new ATOM 727 N ARG A1115 14.477 5.522 -9.695 1.00 0.00 N ATOM 728 CA ARG A1115 13.833 6.816 -9.792 1.00 0.00 C ATOM 729 C ARG A1115 12.874 7.020 -8.628 1.00 0.00 C ATOM 730 O ARG A1115 11.685 6.712 -8.725 1.00 0.00 O ATOM 731 CB ARG A1115 13.092 6.938 -11.126 1.00 0.00 C ATOM 732 CG ARG A1115 13.964 7.434 -12.265 1.00 0.00 C ATOM 733 CD ARG A1115 14.132 8.943 -12.198 1.00 0.00 C ATOM 734 NE ARG A1115 15.198 9.423 -13.075 1.00 0.00 N ATOM 735 CZ ARG A1115 14.994 10.069 -14.225 1.00 0.00 C ATOM 736 NH1 ARG A1115 13.761 10.290 -14.659 1.00 0.00 N ATOM 737 NH2 ARG A1115 16.026 10.493 -14.941 1.00 0.00 N ATOM 0 H ARG A1115 13.831 4.732 -9.701 1.00 0.00 H new ATOM 0 HA ARG A1115 14.597 7.592 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.680 5.965 -11.393 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.249 7.618 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.941 6.952 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A1115 13.517 7.155 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A1115 13.193 9.423 -12.475 1.00 0.00 H new ATOM 0 HD3 ARG A1115 14.350 9.237 -11.171 1.00 0.00 H new ATOM 0 HE ARG A1115 16.162 9.253 -12.789 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.963 9.966 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG A1115 13.611 10.784 -15.539 1.00 0.00 H new ATOM 0 HH21 ARG A1115 16.977 10.326 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.869 10.987 -15.820 1.00 0.00 H new ATOM 751 N LYS A1116 13.399 7.519 -7.520 1.00 0.00 N ATOM 752 CA LYS A1116 12.572 7.841 -6.368 1.00 0.00 C ATOM 753 C LYS A1116 12.667 9.326 -6.069 1.00 0.00 C ATOM 754 O LYS A1116 13.399 10.052 -6.742 1.00 0.00 O ATOM 755 CB LYS A1116 12.998 7.055 -5.127 1.00 0.00 C ATOM 756 CG LYS A1116 13.402 5.619 -5.393 1.00 0.00 C ATOM 757 CD LYS A1116 13.580 4.855 -4.090 1.00 0.00 C ATOM 758 CE LYS A1116 14.666 5.477 -3.220 1.00 0.00 C ATOM 759 NZ LYS A1116 14.744 4.836 -1.880 1.00 0.00 N ATOM 0 H LYS A1116 14.393 7.710 -7.394 1.00 0.00 H new ATOM 0 HA LYS A1116 11.546 7.567 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.834 7.572 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.176 7.060 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.643 5.131 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.332 5.598 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.637 4.842 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.836 3.818 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.629 5.385 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.469 6.542 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.495 5.289 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 13.834 4.945 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.958 3.824 -1.991 1.00 0.00 H new ATOM 773 N GLY A1117 11.917 9.777 -5.076 1.00 0.00 N ATOM 774 CA GLY A1117 12.025 11.152 -4.646 1.00 0.00 C ATOM 775 C GLY A1117 10.687 11.719 -4.242 1.00 0.00 C ATOM 776 O GLY A1117 9.750 10.963 -3.975 1.00 0.00 O ATOM 0 H GLY A1117 11.237 9.216 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.716 11.217 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.446 11.753 -5.452 1.00 0.00 H new ATOM 780 N VAL A1118 10.584 13.040 -4.192 1.00 0.00 N ATOM 781 CA VAL A1118 9.316 13.673 -3.868 1.00 0.00 C ATOM 782 C VAL A1118 8.596 14.116 -5.128 1.00 0.00 C ATOM 783 O VAL A1118 9.224 14.523 -6.110 1.00 0.00 O ATOM 784 CB VAL A1118 9.467 14.872 -2.908 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.838 14.392 -1.525 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.492 15.874 -3.410 1.00 0.00 C ATOM 0 H VAL A1118 11.353 13.686 -4.369 1.00 0.00 H new ATOM 0 HA VAL A1118 8.724 12.916 -3.353 1.00 0.00 H new ATOM 0 HB VAL A1118 8.504 15.381 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.941 15.248 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.058 13.730 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.783 13.850 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.567 16.702 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.463 15.387 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.183 16.254 -4.384 1.00 0.00 H new ATOM 796 N PHE A1119 7.281 14.016 -5.099 1.00 0.00 N ATOM 797 CA PHE A1119 6.463 14.380 -6.237 1.00 0.00 C ATOM 798 C PHE A1119 5.199 15.100 -5.783 1.00 0.00 C ATOM 799 O PHE A1119 4.547 14.690 -4.817 1.00 0.00 O ATOM 800 CB PHE A1119 6.120 13.138 -7.080 1.00 0.00 C ATOM 801 CG PHE A1119 5.557 11.967 -6.311 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.397 11.105 -5.619 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.193 11.713 -6.299 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.887 10.019 -4.936 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.681 10.627 -5.611 1.00 0.00 C ATOM 806 CZ PHE A1119 4.532 9.780 -4.930 1.00 0.00 C ATOM 0 H PHE A1119 6.754 13.683 -4.292 1.00 0.00 H new ATOM 0 HA PHE A1119 7.033 15.065 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.400 13.427 -7.846 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.022 12.811 -7.597 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.462 11.286 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.523 12.371 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.553 9.355 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.617 10.442 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.135 8.931 -4.393 1.00 0.00 H new ATOM 816 N PRO A1120 4.870 16.216 -6.451 1.00 0.00 N ATOM 817 CA PRO A1120 3.652 16.971 -6.169 1.00 0.00 C ATOM 818 C PRO A1120 2.405 16.154 -6.492 1.00 0.00 C ATOM 819 O PRO A1120 2.240 15.661 -7.611 1.00 0.00 O ATOM 820 CB PRO A1120 3.754 18.193 -7.087 1.00 0.00 C ATOM 821 CG PRO A1120 4.710 17.797 -8.160 1.00 0.00 C ATOM 822 CD PRO A1120 5.667 16.829 -7.529 1.00 0.00 C ATOM 0 HA PRO A1120 3.565 17.238 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.781 18.455 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.113 19.066 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.186 17.337 -8.998 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.237 18.667 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.016 16.084 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.551 17.334 -7.138 1.00 0.00 H new ATOM 830 N VAL A1121 1.528 16.025 -5.507 1.00 0.00 N ATOM 831 CA VAL A1121 0.353 15.162 -5.612 1.00 0.00 C ATOM 832 C VAL A1121 -0.616 15.658 -6.691 1.00 0.00 C ATOM 833 O VAL A1121 -1.337 14.867 -7.304 1.00 0.00 O ATOM 834 CB VAL A1121 -0.382 15.072 -4.255 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.437 13.980 -4.272 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.604 14.821 -3.130 1.00 0.00 C ATOM 0 H VAL A1121 1.607 16.512 -4.614 1.00 0.00 H new ATOM 0 HA VAL A1121 0.705 14.170 -5.897 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.880 16.027 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.936 13.941 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.170 14.194 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.963 13.019 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.068 14.761 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.130 13.883 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.324 15.638 -3.088 1.00 0.00 H new ATOM 846 N SER A1122 -0.607 16.959 -6.949 1.00 0.00 N ATOM 847 CA SER A1122 -1.514 17.545 -7.929 1.00 0.00 C ATOM 848 C SER A1122 -1.037 17.245 -9.355 1.00 0.00 C ATOM 849 O SER A1122 -1.738 17.519 -10.327 1.00 0.00 O ATOM 850 CB SER A1122 -1.628 19.059 -7.708 1.00 0.00 C ATOM 851 OG SER A1122 -2.740 19.601 -8.402 1.00 0.00 O ATOM 0 H SER A1122 0.016 17.627 -6.495 1.00 0.00 H new ATOM 0 HA SER A1122 -2.500 17.098 -7.798 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.726 19.266 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A1122 -0.714 19.547 -8.045 1.00 0.00 H new ATOM 0 HG SER A1122 -2.906 19.077 -9.213 1.00 0.00 H new ATOM 857 N PHE A1123 0.156 16.668 -9.470 1.00 0.00 N ATOM 858 CA PHE A1123 0.725 16.333 -10.770 1.00 0.00 C ATOM 859 C PHE A1123 0.481 14.871 -11.126 1.00 0.00 C ATOM 860 O PHE A1123 0.880 14.408 -12.198 1.00 0.00 O ATOM 861 CB PHE A1123 2.232 16.619 -10.786 1.00 0.00 C ATOM 862 CG PHE A1123 2.585 18.040 -11.125 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.057 19.097 -10.402 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.442 18.314 -12.179 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.380 20.401 -10.724 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.766 19.614 -12.505 1.00 0.00 C ATOM 867 CZ PHE A1123 3.235 20.659 -11.777 1.00 0.00 C ATOM 0 H PHE A1123 0.748 16.423 -8.676 1.00 0.00 H new ATOM 0 HA PHE A1123 0.229 16.956 -11.514 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.647 16.377 -9.808 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.709 15.956 -11.508 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.386 18.900 -9.579 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.861 17.500 -12.752 1.00 0.00 H new ATOM 0 HE1 PHE A1123 1.964 21.218 -10.153 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.435 19.814 -13.329 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.488 21.678 -12.031 1.00 0.00 H new ATOM 877 N VAL A1124 -0.177 14.138 -10.237 1.00 0.00 N ATOM 878 CA VAL A1124 -0.358 12.708 -10.442 1.00 0.00 C ATOM 879 C VAL A1124 -1.810 12.276 -10.243 1.00 0.00 C ATOM 880 O VAL A1124 -2.576 12.925 -9.531 1.00 0.00 O ATOM 881 CB VAL A1124 0.553 11.890 -9.505 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.023 12.175 -9.785 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.224 12.175 -8.048 1.00 0.00 C ATOM 0 H VAL A1124 -0.589 14.504 -9.379 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.081 12.509 -11.477 1.00 0.00 H new ATOM 0 HB VAL A1124 0.369 10.833 -9.699 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.643 11.585 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.255 11.909 -10.816 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.224 13.235 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.879 11.587 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.371 13.235 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.814 11.907 -7.850 1.00 0.00 H new ATOM 893 N HIS A1125 -2.175 11.185 -10.903 1.00 0.00 N ATOM 894 CA HIS A1125 -3.500 10.602 -10.791 1.00 0.00 C ATOM 895 C HIS A1125 -3.422 9.367 -9.901 1.00 0.00 C ATOM 896 O HIS A1125 -2.906 8.334 -10.316 1.00 0.00 O ATOM 897 CB HIS A1125 -3.994 10.216 -12.186 1.00 0.00 C ATOM 898 CG HIS A1125 -5.476 10.262 -12.358 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.098 11.100 -13.256 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.461 9.551 -11.766 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.395 10.903 -13.212 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.648 9.968 -12.314 1.00 0.00 N ATOM 0 H HIS A1125 -1.554 10.679 -11.534 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.194 11.318 -10.352 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.536 10.883 -12.916 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.647 9.208 -12.414 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.337 8.796 -11.004 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.132 11.419 -13.810 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.573 9.614 -12.068 1.00 0.00 H new ATOM 911 N ILE A1126 -3.926 9.483 -8.686 1.00 0.00 N ATOM 912 CA ILE A1126 -3.745 8.446 -7.674 1.00 0.00 C ATOM 913 C ILE A1126 -4.537 7.176 -7.993 1.00 0.00 C ATOM 914 O ILE A1126 -5.642 7.234 -8.533 1.00 0.00 O ATOM 915 CB ILE A1126 -4.151 8.980 -6.286 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.353 10.251 -5.978 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.938 7.926 -5.203 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.668 10.854 -4.636 1.00 0.00 C ATOM 0 H ILE A1126 -4.467 10.288 -8.370 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.688 8.181 -7.673 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.214 9.219 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.289 10.020 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.551 10.990 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.233 8.333 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.543 7.047 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.886 7.644 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.065 11.750 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.725 11.117 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.443 10.132 -3.851 1.00 0.00 H new ATOM 930 N LEU A1127 -3.945 6.033 -7.662 1.00 0.00 N ATOM 931 CA LEU A1127 -4.577 4.735 -7.849 1.00 0.00 C ATOM 932 C LEU A1127 -4.862 4.118 -6.492 1.00 0.00 C ATOM 933 O LEU A1127 -3.969 4.031 -5.644 1.00 0.00 O ATOM 934 CB LEU A1127 -3.665 3.787 -8.634 1.00 0.00 C ATOM 935 CG LEU A1127 -2.881 4.428 -9.774 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.032 3.390 -10.491 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.820 5.110 -10.758 1.00 0.00 C ATOM 0 H LEU A1127 -3.011 5.982 -7.256 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.501 4.882 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.958 3.333 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.273 2.980 -9.043 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.221 5.183 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.481 3.868 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.329 2.945 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.677 2.612 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.239 5.560 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.508 4.374 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.387 5.885 -10.242 1.00 0.00 H new ATOM 949 N SER A1128 -6.091 3.686 -6.285 1.00 0.00 N ATOM 950 CA SER A1128 -6.473 3.055 -5.035 1.00 0.00 C ATOM 951 C SER A1128 -6.252 1.542 -5.122 1.00 0.00 C ATOM 952 O SER A1128 -7.123 0.746 -4.763 1.00 0.00 O ATOM 953 CB SER A1128 -7.935 3.384 -4.716 1.00 0.00 C ATOM 954 OG SER A1128 -8.298 2.952 -3.416 1.00 0.00 O ATOM 0 H SER A1128 -6.845 3.761 -6.968 1.00 0.00 H new ATOM 0 HA SER A1128 -5.851 3.440 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A1128 -8.093 4.459 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.584 2.909 -5.452 1.00 0.00 H new ATOM 0 HG SER A1128 -8.161 1.984 -3.343 1.00 0.00 H new ATOM 960 N ASP A1129 -5.080 1.156 -5.618 1.00 0.00 N ATOM 961 CA ASP A1129 -4.730 -0.255 -5.770 1.00 0.00 C ATOM 962 C ASP A1129 -4.048 -0.795 -4.521 1.00 0.00 C ATOM 963 O ASP A1129 -4.699 -0.851 -3.459 1.00 0.00 O ATOM 964 CB ASP A1129 -3.806 -0.450 -6.975 1.00 0.00 C ATOM 965 CG ASP A1129 -4.546 -0.435 -8.291 1.00 0.00 C ATOM 966 OD1 ASP A1129 -4.838 0.662 -8.807 1.00 0.00 O ATOM 967 OD2 ASP A1129 -4.830 -1.528 -8.823 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.867 -1.189 -4.613 1.00 0.00 O ATOM 0 H ASP A1129 -4.353 1.803 -5.923 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.657 -0.806 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -3.052 0.337 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -3.278 -1.398 -6.872 1.00 0.00 H new TER 973 ASP A1129