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+ 166:sc=-0.00812 (180deg=-0.127) USER MOD Single : A1074 THR OG1 : rot 142:sc= 1.99 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot 180:sc= 0 USER MOD Single : A1079 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.32) USER MOD Single : A1082 ASN : amide:sc= -1.93! K(o=-1.9!,f=-2.5) USER MOD Single : A1087 THR OG1 : rot -170:sc= -0.323 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A1102 GLN : amide:sc= -1.02 K(o=-1,f=-2.5!) USER MOD Single : A1108 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-3!) USER MOD Single : A1112 GLN : amide:sc= -1.85! K(o=-1.8!,f=-1.2) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -30:sc= 0.174 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0161 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -1.581 -1.548 -3.354 1.00 0.00 N ATOM 2 CA VAL A1069 -0.565 -0.538 -2.979 1.00 0.00 C ATOM 3 C VAL A1069 -0.899 0.805 -3.624 1.00 0.00 C ATOM 4 O VAL A1069 -1.242 0.870 -4.804 1.00 0.00 O ATOM 5 CB VAL A1069 0.864 -0.989 -3.378 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.992 -1.170 -4.884 1.00 0.00 C ATOM 7 CG2 VAL A1069 1.906 -0.007 -2.860 1.00 0.00 C ATOM 0 HA VAL A1069 -0.584 -0.430 -1.895 1.00 0.00 H new ATOM 0 HB VAL A1069 1.046 -1.958 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A1069 2.006 -1.486 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A1069 0.285 -1.928 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A1069 0.777 -0.225 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.901 -0.344 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A1069 1.718 0.980 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.846 0.047 -1.773 1.00 0.00 H new ATOM 19 N ARG A1070 -0.822 1.877 -2.844 1.00 0.00 N ATOM 20 CA ARG A1070 -1.164 3.196 -3.345 1.00 0.00 C ATOM 21 C ARG A1070 -0.139 3.656 -4.374 1.00 0.00 C ATOM 22 O ARG A1070 1.049 3.793 -4.076 1.00 0.00 O ATOM 23 CB ARG A1070 -1.254 4.206 -2.199 1.00 0.00 C ATOM 24 CG ARG A1070 -2.009 5.472 -2.572 1.00 0.00 C ATOM 25 CD ARG A1070 -2.087 6.439 -1.403 1.00 0.00 C ATOM 26 NE ARG A1070 -3.137 7.446 -1.590 1.00 0.00 N ATOM 27 CZ ARG A1070 -3.968 7.838 -0.620 1.00 0.00 C ATOM 28 NH1 ARG A1070 -3.827 7.365 0.609 1.00 0.00 N ATOM 29 NH2 ARG A1070 -4.928 8.722 -0.870 1.00 0.00 N ATOM 0 H ARG A1070 -0.527 1.856 -1.868 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.140 3.135 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.745 3.736 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.247 4.473 -1.879 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.515 5.957 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -3.016 5.213 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -2.278 5.883 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.125 6.937 -1.280 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.238 7.871 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -3.082 6.700 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -4.463 7.666 1.347 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -5.035 9.107 -1.808 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -5.558 9.016 -0.123 1.00 0.00 H new ATOM 43 N ARG A1071 -0.607 3.885 -5.586 1.00 0.00 N ATOM 44 CA ARG A1071 0.248 4.308 -6.672 1.00 0.00 C ATOM 45 C ARG A1071 -0.340 5.553 -7.298 1.00 0.00 C ATOM 46 O ARG A1071 -1.455 5.944 -6.964 1.00 0.00 O ATOM 47 CB ARG A1071 0.379 3.198 -7.715 1.00 0.00 C ATOM 48 CG ARG A1071 1.109 1.967 -7.200 1.00 0.00 C ATOM 49 CD ARG A1071 1.254 0.901 -8.275 1.00 0.00 C ATOM 50 NE ARG A1071 -0.023 0.289 -8.629 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.252 -0.364 -9.767 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.726 -0.537 -10.653 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.453 -0.877 -9.999 1.00 0.00 N ATOM 0 H ARG A1071 -1.589 3.783 -5.842 1.00 0.00 H new ATOM 0 HA ARG A1071 1.245 4.526 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.616 2.907 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.908 3.588 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A1071 2.096 2.255 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.567 1.553 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.700 1.345 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.940 0.129 -7.926 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.790 0.366 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A1071 1.658 -0.169 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A1071 0.544 -1.038 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.195 -0.770 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -1.634 -1.378 -10.869 1.00 0.00 H new ATOM 67 N VAL A1072 0.405 6.187 -8.176 1.00 0.00 N ATOM 68 CA VAL A1072 -0.073 7.366 -8.869 1.00 0.00 C ATOM 69 C VAL A1072 0.344 7.319 -10.338 1.00 0.00 C ATOM 70 O VAL A1072 1.429 6.838 -10.673 1.00 0.00 O ATOM 71 CB VAL A1072 0.451 8.671 -8.224 1.00 0.00 C ATOM 72 CG1 VAL A1072 0.020 8.777 -6.768 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.963 8.767 -8.337 1.00 0.00 C ATOM 0 H VAL A1072 1.352 5.904 -8.429 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.160 7.367 -8.792 1.00 0.00 H new ATOM 0 HB VAL A1072 0.012 9.506 -8.771 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.403 9.704 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.068 8.773 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.416 7.930 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.304 9.694 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.420 7.918 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.251 8.758 -9.388 1.00 0.00 H new ATOM 83 N LYS A1073 -0.536 7.784 -11.205 1.00 0.00 N ATOM 84 CA LYS A1073 -0.251 7.904 -12.620 1.00 0.00 C ATOM 85 C LYS A1073 -0.077 9.369 -12.971 1.00 0.00 C ATOM 86 O LYS A1073 -1.044 10.119 -13.026 1.00 0.00 O ATOM 87 CB LYS A1073 -1.381 7.301 -13.461 1.00 0.00 C ATOM 88 CG LYS A1073 -1.222 7.570 -14.951 1.00 0.00 C ATOM 89 CD LYS A1073 0.044 6.937 -15.490 1.00 0.00 C ATOM 90 CE LYS A1073 -0.147 5.453 -15.772 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.990 5.221 -16.976 1.00 0.00 N ATOM 0 H LYS A1073 -1.473 8.090 -10.944 1.00 0.00 H new ATOM 0 HA LYS A1073 0.665 7.356 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.416 6.225 -13.293 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.334 7.708 -13.124 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.085 7.177 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.198 8.645 -15.129 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.345 7.446 -16.406 1.00 0.00 H new ATOM 0 HD3 LYS A1073 0.853 7.070 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.826 4.982 -15.914 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.609 4.976 -14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.905 4.228 -17.274 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.983 5.430 -16.750 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.672 5.842 -17.747 1.00 0.00 H new ATOM 105 N THR A1074 1.156 9.767 -13.187 1.00 0.00 N ATOM 106 CA THR A1074 1.479 11.158 -13.464 1.00 0.00 C ATOM 107 C THR A1074 0.691 11.694 -14.664 1.00 0.00 C ATOM 108 O THR A1074 0.774 11.159 -15.768 1.00 0.00 O ATOM 109 CB THR A1074 2.986 11.320 -13.717 1.00 0.00 C ATOM 110 OG1 THR A1074 3.378 10.561 -14.863 1.00 0.00 O ATOM 111 CG2 THR A1074 3.779 10.846 -12.511 1.00 0.00 C ATOM 0 H THR A1074 1.963 9.143 -13.177 1.00 0.00 H new ATOM 0 HA THR A1074 1.196 11.739 -12.586 1.00 0.00 H new ATOM 0 HB THR A1074 3.191 12.376 -13.892 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.052 11.059 -15.370 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.845 10.967 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.500 11.436 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.562 9.795 -12.323 1.00 0.00 H new ATOM 119 N ILE A1075 -0.086 12.742 -14.431 1.00 0.00 N ATOM 120 CA ILE A1075 -0.889 13.348 -15.488 1.00 0.00 C ATOM 121 C ILE A1075 -0.249 14.645 -15.970 1.00 0.00 C ATOM 122 O ILE A1075 -0.752 15.297 -16.885 1.00 0.00 O ATOM 123 CB ILE A1075 -2.344 13.618 -15.024 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.349 14.235 -13.620 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.171 12.336 -15.064 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.733 14.460 -13.048 1.00 0.00 C ATOM 0 H ILE A1075 -0.179 13.192 -13.520 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.926 12.637 -16.313 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.801 14.330 -15.711 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.791 13.584 -12.947 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.821 15.188 -13.652 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.188 12.549 -14.735 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.193 11.949 -16.083 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.723 11.594 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.649 14.899 -12.054 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.289 15.136 -13.697 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.258 13.507 -12.981 1.00 0.00 H new ATOM 138 N TYR A1076 0.863 15.012 -15.345 1.00 0.00 N ATOM 139 CA TYR A1076 1.614 16.196 -15.732 1.00 0.00 C ATOM 140 C TYR A1076 3.105 15.907 -15.676 1.00 0.00 C ATOM 141 O TYR A1076 3.562 15.124 -14.844 1.00 0.00 O ATOM 142 CB TYR A1076 1.283 17.375 -14.809 1.00 0.00 C ATOM 143 CG TYR A1076 -0.113 17.925 -14.984 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.425 18.742 -16.062 1.00 0.00 C ATOM 145 CD2 TYR A1076 -1.117 17.629 -14.072 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.701 19.247 -16.229 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.396 18.129 -14.233 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.684 18.938 -15.312 1.00 0.00 C ATOM 149 OH TYR A1076 -3.959 19.436 -15.476 1.00 0.00 O ATOM 0 H TYR A1076 1.266 14.500 -14.561 1.00 0.00 H new ATOM 0 HA TYR A1076 1.334 16.461 -16.751 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.410 17.058 -13.774 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.002 18.175 -14.988 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.342 18.987 -16.782 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.896 16.998 -13.224 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.927 19.881 -17.074 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.167 17.887 -13.516 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.529 19.122 -14.744 1.00 0.00 H new ATOM 159 N ASP A1077 3.849 16.517 -16.586 1.00 0.00 N ATOM 160 CA ASP A1077 5.300 16.408 -16.595 1.00 0.00 C ATOM 161 C ASP A1077 5.898 17.215 -15.454 1.00 0.00 C ATOM 162 O ASP A1077 5.489 18.348 -15.202 1.00 0.00 O ATOM 163 CB ASP A1077 5.860 16.896 -17.939 1.00 0.00 C ATOM 164 CG ASP A1077 7.292 17.394 -17.850 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.224 16.566 -17.884 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.488 18.627 -17.758 1.00 0.00 O ATOM 0 H ASP A1077 3.468 17.097 -17.333 1.00 0.00 H new ATOM 0 HA ASP A1077 5.571 15.361 -16.461 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.810 16.082 -18.662 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.227 17.698 -18.318 1.00 0.00 H new ATOM 171 N CYS A1078 6.852 16.622 -14.756 1.00 0.00 N ATOM 172 CA CYS A1078 7.550 17.310 -13.682 1.00 0.00 C ATOM 173 C CYS A1078 9.058 17.170 -13.853 1.00 0.00 C ATOM 174 O CYS A1078 9.620 16.089 -13.649 1.00 0.00 O ATOM 175 CB CYS A1078 7.129 16.761 -12.325 1.00 0.00 C ATOM 176 SG CYS A1078 7.910 17.583 -10.914 1.00 0.00 S ATOM 0 H CYS A1078 7.162 15.663 -14.914 1.00 0.00 H new ATOM 0 HA CYS A1078 7.284 18.366 -13.728 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.047 16.851 -12.230 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.365 15.698 -12.287 1.00 0.00 H new ATOM 0 HG CYS A1078 7.485 17.046 -9.809 1.00 0.00 H new ATOM 182 N GLN A1079 9.705 18.252 -14.259 1.00 0.00 N ATOM 183 CA GLN A1079 11.153 18.276 -14.354 1.00 0.00 C ATOM 184 C GLN A1079 11.746 18.700 -13.016 1.00 0.00 C ATOM 185 O GLN A1079 11.779 19.879 -12.665 1.00 0.00 O ATOM 186 CB GLN A1079 11.633 19.169 -15.517 1.00 0.00 C ATOM 187 CG GLN A1079 10.759 20.390 -15.805 1.00 0.00 C ATOM 188 CD GLN A1079 11.110 21.616 -14.979 1.00 0.00 C ATOM 189 OE1 GLN A1079 10.236 22.411 -14.642 1.00 0.00 O ATOM 190 NE2 GLN A1079 12.384 21.795 -14.670 1.00 0.00 N ATOM 0 H GLN A1079 9.249 19.124 -14.527 1.00 0.00 H new ATOM 0 HA GLN A1079 11.509 17.271 -14.581 1.00 0.00 H new ATOM 0 HB2 GLN A1079 12.645 19.510 -15.298 1.00 0.00 H new ATOM 0 HB3 GLN A1079 11.690 18.562 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A1079 10.843 20.642 -16.862 1.00 0.00 H new ATOM 0 HG3 GLN A1079 9.717 20.128 -15.622 1.00 0.00 H new ATOM 0 HE21 GLN A1079 13.082 21.113 -14.967 1.00 0.00 H new ATOM 0 HE22 GLN A1079 12.669 22.615 -14.134 1.00 0.00 H new ATOM 199 N ALA A1080 12.146 17.704 -12.250 1.00 0.00 N ATOM 200 CA ALA A1080 12.729 17.910 -10.933 1.00 0.00 C ATOM 201 C ALA A1080 14.041 18.675 -11.013 1.00 0.00 C ATOM 202 O ALA A1080 14.879 18.411 -11.879 1.00 0.00 O ATOM 203 CB ALA A1080 12.952 16.569 -10.263 1.00 0.00 C ATOM 0 H ALA A1080 12.077 16.723 -12.522 1.00 0.00 H new ATOM 0 HA ALA A1080 12.033 18.508 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.389 16.723 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A1080 11.999 16.050 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.629 15.967 -10.869 1.00 0.00 H new ATOM 209 N ASP A1081 14.212 19.619 -10.101 1.00 0.00 N ATOM 210 CA ASP A1081 15.434 20.407 -10.039 1.00 0.00 C ATOM 211 C ASP A1081 16.338 19.888 -8.933 1.00 0.00 C ATOM 212 O ASP A1081 17.547 19.744 -9.114 1.00 0.00 O ATOM 213 CB ASP A1081 15.112 21.881 -9.790 1.00 0.00 C ATOM 214 CG ASP A1081 16.363 22.727 -9.638 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.888 22.833 -8.509 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.826 23.300 -10.645 1.00 0.00 O ATOM 0 H ASP A1081 13.519 19.859 -9.392 1.00 0.00 H new ATOM 0 HA ASP A1081 15.948 20.316 -10.996 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.515 22.265 -10.617 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.504 21.971 -8.890 1.00 0.00 H new ATOM 221 N ASN A1082 15.746 19.607 -7.784 1.00 0.00 N ATOM 222 CA ASN A1082 16.498 19.104 -6.646 1.00 0.00 C ATOM 223 C ASN A1082 16.640 17.593 -6.756 1.00 0.00 C ATOM 224 O ASN A1082 15.739 16.913 -7.245 1.00 0.00 O ATOM 225 CB ASN A1082 15.802 19.483 -5.331 1.00 0.00 C ATOM 226 CG ASN A1082 16.619 19.107 -4.107 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.849 19.054 -4.160 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.946 18.831 -3.001 1.00 0.00 N ATOM 0 H ASN A1082 14.746 19.719 -7.614 1.00 0.00 H new ATOM 0 HA ASN A1082 17.490 19.556 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.613 20.556 -5.321 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.832 18.988 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN A1082 16.446 18.563 -2.153 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.927 18.886 -2.997 1.00 0.00 H new ATOM 235 N ASP A1083 17.775 17.073 -6.296 1.00 0.00 N ATOM 236 CA ASP A1083 18.080 15.642 -6.397 1.00 0.00 C ATOM 237 C ASP A1083 17.245 14.832 -5.412 1.00 0.00 C ATOM 238 O ASP A1083 17.382 13.614 -5.316 1.00 0.00 O ATOM 239 CB ASP A1083 19.571 15.395 -6.137 1.00 0.00 C ATOM 240 CG ASP A1083 20.465 16.091 -7.143 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.672 17.313 -7.009 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.967 15.420 -8.074 1.00 0.00 O ATOM 0 H ASP A1083 18.506 17.623 -5.846 1.00 0.00 H new ATOM 0 HA ASP A1083 17.833 15.318 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.822 15.740 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.767 14.323 -6.164 1.00 0.00 H new ATOM 247 N ASP A1084 16.404 15.528 -4.666 1.00 0.00 N ATOM 248 CA ASP A1084 15.477 14.890 -3.742 1.00 0.00 C ATOM 249 C ASP A1084 14.092 14.781 -4.378 1.00 0.00 C ATOM 250 O ASP A1084 13.253 13.983 -3.957 1.00 0.00 O ATOM 251 CB ASP A1084 15.422 15.690 -2.439 1.00 0.00 C ATOM 252 CG ASP A1084 14.390 15.169 -1.465 1.00 0.00 C ATOM 253 OD1 ASP A1084 14.508 14.009 -1.025 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.458 15.931 -1.129 1.00 0.00 O ATOM 0 H ASP A1084 16.343 16.546 -4.682 1.00 0.00 H new ATOM 0 HA ASP A1084 15.824 13.882 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.403 15.668 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.202 16.732 -2.669 1.00 0.00 H new ATOM 259 N GLU A1085 13.867 15.584 -5.410 1.00 0.00 N ATOM 260 CA GLU A1085 12.629 15.532 -6.175 1.00 0.00 C ATOM 261 C GLU A1085 12.739 14.440 -7.231 1.00 0.00 C ATOM 262 O GLU A1085 13.838 14.119 -7.684 1.00 0.00 O ATOM 263 CB GLU A1085 12.364 16.881 -6.855 1.00 0.00 C ATOM 264 CG GLU A1085 12.203 18.047 -5.894 1.00 0.00 C ATOM 265 CD GLU A1085 12.074 19.379 -6.613 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.066 19.821 -7.237 1.00 0.00 O ATOM 267 OE2 GLU A1085 10.988 19.995 -6.556 1.00 0.00 O ATOM 0 H GLU A1085 14.532 16.284 -5.738 1.00 0.00 H new ATOM 0 HA GLU A1085 11.802 15.313 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.186 17.098 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.462 16.798 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.320 17.885 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.061 18.082 -5.223 1.00 0.00 H new ATOM 274 N LEU A1086 11.616 13.863 -7.621 1.00 0.00 N ATOM 275 CA LEU A1086 11.626 12.840 -8.655 1.00 0.00 C ATOM 276 C LEU A1086 11.311 13.444 -10.016 1.00 0.00 C ATOM 277 O LEU A1086 10.479 14.342 -10.130 1.00 0.00 O ATOM 278 CB LEU A1086 10.631 11.721 -8.345 1.00 0.00 C ATOM 279 CG LEU A1086 10.572 10.628 -9.414 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.933 9.986 -9.596 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.543 9.574 -9.068 1.00 0.00 C ATOM 0 H LEU A1086 10.694 14.081 -7.243 1.00 0.00 H new ATOM 0 HA LEU A1086 12.629 12.413 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.896 11.267 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.638 12.154 -8.227 1.00 0.00 H new ATOM 0 HG LEU A1086 10.274 11.099 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.871 9.211 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.654 10.743 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.254 9.541 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.526 8.812 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.801 9.112 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.559 10.037 -8.992 1.00 0.00 H new ATOM 293 N THR A1087 11.978 12.946 -11.044 1.00 0.00 N ATOM 294 CA THR A1087 11.746 13.422 -12.394 1.00 0.00 C ATOM 295 C THR A1087 10.870 12.433 -13.150 1.00 0.00 C ATOM 296 O THR A1087 11.205 11.252 -13.256 1.00 0.00 O ATOM 297 CB THR A1087 13.068 13.612 -13.155 1.00 0.00 C ATOM 298 OG1 THR A1087 14.083 14.088 -12.260 1.00 0.00 O ATOM 299 CG2 THR A1087 12.895 14.598 -14.299 1.00 0.00 C ATOM 0 H THR A1087 12.683 12.213 -10.968 1.00 0.00 H new ATOM 0 HA THR A1087 11.244 14.387 -12.325 1.00 0.00 H new ATOM 0 HB THR A1087 13.367 12.648 -13.567 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.873 14.356 -12.774 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.843 14.717 -14.823 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.142 14.223 -14.992 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.576 15.562 -13.903 1.00 0.00 H new ATOM 307 N PHE A1088 9.746 12.911 -13.654 1.00 0.00 N ATOM 308 CA PHE A1088 8.819 12.064 -14.389 1.00 0.00 C ATOM 309 C PHE A1088 8.077 12.868 -15.450 1.00 0.00 C ATOM 310 O PHE A1088 7.953 14.089 -15.339 1.00 0.00 O ATOM 311 CB PHE A1088 7.813 11.419 -13.426 1.00 0.00 C ATOM 312 CG PHE A1088 7.033 12.410 -12.602 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.986 13.128 -13.161 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.352 12.628 -11.273 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.275 14.041 -12.410 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.646 13.545 -10.519 1.00 0.00 C ATOM 317 CZ PHE A1088 5.605 14.252 -11.088 1.00 0.00 C ATOM 0 H PHE A1088 9.451 13.884 -13.568 1.00 0.00 H new ATOM 0 HA PHE A1088 9.393 11.281 -14.885 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.115 10.810 -14.000 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.347 10.745 -12.756 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.724 12.970 -14.197 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.162 12.075 -10.821 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.460 14.590 -12.858 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.908 13.709 -9.484 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.051 14.968 -10.499 1.00 0.00 H new ATOM 327 N ILE A1089 7.593 12.182 -16.477 1.00 0.00 N ATOM 328 CA ILE A1089 6.727 12.804 -17.467 1.00 0.00 C ATOM 329 C ILE A1089 5.342 12.172 -17.393 1.00 0.00 C ATOM 330 O ILE A1089 5.144 11.187 -16.670 1.00 0.00 O ATOM 331 CB ILE A1089 7.270 12.698 -18.920 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.145 11.268 -19.486 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.715 13.172 -18.981 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.016 10.236 -18.802 1.00 0.00 C ATOM 0 H ILE A1089 7.786 11.195 -16.645 1.00 0.00 H new ATOM 0 HA ILE A1089 6.685 13.866 -17.227 1.00 0.00 H new ATOM 0 HB ILE A1089 6.655 13.346 -19.545 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.104 10.952 -19.411 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.396 11.289 -20.547 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.081 13.092 -20.004 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.771 14.211 -18.656 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.329 12.553 -18.326 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.860 9.263 -19.267 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.063 10.522 -18.900 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.752 10.180 -17.746 1.00 0.00 H new ATOM 346 N GLU A1090 4.397 12.731 -18.133 1.00 0.00 N ATOM 347 CA GLU A1090 3.023 12.252 -18.112 1.00 0.00 C ATOM 348 C GLU A1090 2.959 10.788 -18.535 1.00 0.00 C ATOM 349 O GLU A1090 3.356 10.433 -19.646 1.00 0.00 O ATOM 350 CB GLU A1090 2.132 13.090 -19.037 1.00 0.00 C ATOM 351 CG GLU A1090 2.385 14.589 -18.969 1.00 0.00 C ATOM 352 CD GLU A1090 3.397 15.064 -19.995 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.534 14.550 -20.004 1.00 0.00 O ATOM 354 OE2 GLU A1090 3.051 15.942 -20.809 1.00 0.00 O ATOM 0 H GLU A1090 4.557 13.521 -18.758 1.00 0.00 H new ATOM 0 HA GLU A1090 2.656 12.348 -17.090 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.280 12.756 -20.064 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.089 12.899 -18.787 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.445 15.118 -19.122 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.738 14.848 -17.971 1.00 0.00 H new ATOM 361 N GLY A1091 2.489 9.941 -17.635 1.00 0.00 N ATOM 362 CA GLY A1091 2.313 8.543 -17.957 1.00 0.00 C ATOM 363 C GLY A1091 3.164 7.635 -17.097 1.00 0.00 C ATOM 364 O GLY A1091 3.113 6.413 -17.237 1.00 0.00 O ATOM 0 H GLY A1091 2.225 10.198 -16.684 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.264 8.275 -17.834 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.562 8.382 -19.006 1.00 0.00 H new ATOM 368 N GLU A1092 3.950 8.221 -16.207 1.00 0.00 N ATOM 369 CA GLU A1092 4.781 7.437 -15.314 1.00 0.00 C ATOM 370 C GLU A1092 3.980 6.983 -14.105 1.00 0.00 C ATOM 371 O GLU A1092 3.154 7.727 -13.572 1.00 0.00 O ATOM 372 CB GLU A1092 6.003 8.236 -14.864 1.00 0.00 C ATOM 373 CG GLU A1092 6.999 8.485 -15.979 1.00 0.00 C ATOM 374 CD GLU A1092 7.405 7.205 -16.678 1.00 0.00 C ATOM 375 OE1 GLU A1092 8.222 6.447 -16.113 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.899 6.943 -17.788 1.00 0.00 O ATOM 0 H GLU A1092 4.028 9.231 -16.086 1.00 0.00 H new ATOM 0 HA GLU A1092 5.126 6.558 -15.859 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.674 9.193 -14.459 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.500 7.702 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.565 9.172 -16.705 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.885 8.971 -15.571 1.00 0.00 H new ATOM 383 N VAL A1093 4.215 5.755 -13.685 1.00 0.00 N ATOM 384 CA VAL A1093 3.547 5.220 -12.516 1.00 0.00 C ATOM 385 C VAL A1093 4.489 5.283 -11.326 1.00 0.00 C ATOM 386 O VAL A1093 5.593 4.748 -11.369 1.00 0.00 O ATOM 387 CB VAL A1093 3.096 3.761 -12.721 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.198 3.309 -11.576 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.395 3.591 -14.061 1.00 0.00 C ATOM 0 H VAL A1093 4.863 5.110 -14.136 1.00 0.00 H new ATOM 0 HA VAL A1093 2.658 5.825 -12.339 1.00 0.00 H new ATOM 0 HB VAL A1093 3.984 3.129 -12.726 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.891 2.276 -11.740 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.744 3.380 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.316 3.947 -11.532 1.00 0.00 H new ATOM 0 HG21 VAL A1093 2.087 2.552 -14.181 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.517 4.237 -14.097 1.00 0.00 H new ATOM 0 HG23 VAL A1093 3.078 3.862 -14.866 1.00 0.00 H new ATOM 399 N ILE A1094 4.061 5.945 -10.277 1.00 0.00 N ATOM 400 CA ILE A1094 4.877 6.080 -9.083 1.00 0.00 C ATOM 401 C ILE A1094 4.192 5.403 -7.909 1.00 0.00 C ATOM 402 O ILE A1094 3.005 5.605 -7.684 1.00 0.00 O ATOM 403 CB ILE A1094 5.128 7.561 -8.722 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.714 8.326 -9.909 1.00 0.00 C ATOM 405 CG2 ILE A1094 6.051 7.667 -7.518 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.935 9.795 -9.618 1.00 0.00 C ATOM 0 H ILE A1094 3.150 6.401 -10.222 1.00 0.00 H new ATOM 0 HA ILE A1094 5.836 5.606 -9.291 1.00 0.00 H new ATOM 0 HB ILE A1094 4.168 8.012 -8.469 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.663 7.871 -10.194 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.044 8.228 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.217 8.717 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.594 7.167 -6.664 1.00 0.00 H new ATOM 0 HG23 ILE A1094 7.005 7.192 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.352 10.282 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.984 10.262 -9.361 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.628 9.900 -8.783 1.00 0.00 H new ATOM 418 N ILE A1095 4.928 4.592 -7.175 1.00 0.00 N ATOM 419 CA ILE A1095 4.386 3.976 -5.974 1.00 0.00 C ATOM 420 C ILE A1095 4.626 4.883 -4.783 1.00 0.00 C ATOM 421 O ILE A1095 5.759 5.306 -4.545 1.00 0.00 O ATOM 422 CB ILE A1095 4.997 2.587 -5.684 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.594 1.595 -6.774 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.567 2.080 -4.309 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.946 0.160 -6.453 1.00 0.00 C ATOM 0 H ILE A1095 5.895 4.344 -7.384 1.00 0.00 H new ATOM 0 HA ILE A1095 3.319 3.835 -6.144 1.00 0.00 H new ATOM 0 HB ILE A1095 6.083 2.682 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.519 1.668 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.080 1.878 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A1095 5.010 1.101 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.903 2.778 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.481 1.999 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.629 -0.485 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.024 0.071 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.439 -0.143 -5.537 1.00 0.00 H new ATOM 437 N VAL A1096 3.561 5.185 -4.052 1.00 0.00 N ATOM 438 CA VAL A1096 3.650 6.031 -2.879 1.00 0.00 C ATOM 439 C VAL A1096 4.290 5.270 -1.722 1.00 0.00 C ATOM 440 O VAL A1096 3.688 4.368 -1.141 1.00 0.00 O ATOM 441 CB VAL A1096 2.259 6.544 -2.463 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.364 7.410 -1.216 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.616 7.316 -3.606 1.00 0.00 C ATOM 0 H VAL A1096 2.619 4.851 -4.257 1.00 0.00 H new ATOM 0 HA VAL A1096 4.274 6.889 -3.130 1.00 0.00 H new ATOM 0 HB VAL A1096 1.626 5.688 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.372 7.765 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.784 6.823 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.011 8.264 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.633 7.672 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.244 8.167 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.509 6.662 -4.472 1.00 0.00 H new ATOM 453 N THR A1097 5.515 5.642 -1.395 1.00 0.00 N ATOM 454 CA THR A1097 6.285 4.934 -0.385 1.00 0.00 C ATOM 455 C THR A1097 6.421 5.764 0.898 1.00 0.00 C ATOM 456 O THR A1097 6.921 5.279 1.912 1.00 0.00 O ATOM 457 CB THR A1097 7.687 4.563 -0.922 1.00 0.00 C ATOM 458 OG1 THR A1097 8.403 5.747 -1.300 1.00 0.00 O ATOM 459 CG2 THR A1097 7.585 3.633 -2.128 1.00 0.00 C ATOM 0 H THR A1097 6.001 6.434 -1.816 1.00 0.00 H new ATOM 0 HA THR A1097 5.744 4.018 -0.146 1.00 0.00 H new ATOM 0 HB THR A1097 8.222 4.048 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.289 5.500 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.586 3.389 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.069 2.717 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.027 4.128 -2.923 1.00 0.00 H new ATOM 467 N GLY A1098 5.986 7.020 0.844 1.00 0.00 N ATOM 468 CA GLY A1098 6.028 7.876 2.019 1.00 0.00 C ATOM 469 C GLY A1098 5.379 9.222 1.765 1.00 0.00 C ATOM 470 O GLY A1098 4.941 9.498 0.648 1.00 0.00 O ATOM 0 H GLY A1098 5.605 7.461 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.522 7.380 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.064 8.025 2.322 1.00 0.00 H new ATOM 474 N GLU A1099 5.313 10.056 2.795 1.00 0.00 N ATOM 475 CA GLU A1099 4.729 11.389 2.677 1.00 0.00 C ATOM 476 C GLU A1099 5.687 12.445 3.224 1.00 0.00 C ATOM 477 O GLU A1099 6.458 12.177 4.145 1.00 0.00 O ATOM 478 CB GLU A1099 3.407 11.490 3.451 1.00 0.00 C ATOM 479 CG GLU A1099 2.302 10.558 2.973 1.00 0.00 C ATOM 480 CD GLU A1099 2.430 9.150 3.524 1.00 0.00 C ATOM 481 OE1 GLU A1099 2.438 8.991 4.765 1.00 0.00 O ATOM 482 OE2 GLU A1099 2.520 8.198 2.723 1.00 0.00 O ATOM 0 H GLU A1099 5.659 9.832 3.728 1.00 0.00 H new ATOM 0 HA GLU A1099 4.542 11.564 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.604 11.284 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A1099 3.046 12.517 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.336 10.970 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.315 10.518 1.884 1.00 0.00 H new ATOM 489 N GLU A1100 5.627 13.638 2.649 1.00 0.00 N ATOM 490 CA GLU A1100 6.385 14.786 3.139 1.00 0.00 C ATOM 491 C GLU A1100 5.436 15.910 3.501 1.00 0.00 C ATOM 492 O GLU A1100 5.551 16.542 4.553 1.00 0.00 O ATOM 493 CB GLU A1100 7.351 15.286 2.070 1.00 0.00 C ATOM 494 CG GLU A1100 8.634 14.495 1.990 1.00 0.00 C ATOM 495 CD GLU A1100 9.527 14.717 3.194 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.788 15.892 3.530 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.985 13.725 3.797 1.00 0.00 O ATOM 0 H GLU A1100 5.053 13.840 1.830 1.00 0.00 H new ATOM 0 HA GLU A1100 6.949 14.473 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.854 15.253 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.591 16.330 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.399 13.434 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A1100 9.173 14.774 1.085 1.00 0.00 H new ATOM 504 N ASP A1101 4.507 16.149 2.600 1.00 0.00 N ATOM 505 CA ASP A1101 3.516 17.201 2.747 1.00 0.00 C ATOM 506 C ASP A1101 2.192 16.702 2.179 1.00 0.00 C ATOM 507 O ASP A1101 2.122 15.567 1.708 1.00 0.00 O ATOM 508 CB ASP A1101 3.996 18.460 2.012 1.00 0.00 C ATOM 509 CG ASP A1101 3.109 19.663 2.238 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.244 20.320 3.287 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.270 19.949 1.367 1.00 0.00 O ATOM 0 H ASP A1101 4.415 15.615 1.736 1.00 0.00 H new ATOM 0 HA ASP A1101 3.376 17.456 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.008 18.698 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A1101 4.046 18.251 0.943 1.00 0.00 H new ATOM 516 N GLN A1102 1.151 17.519 2.198 1.00 0.00 N ATOM 517 CA GLN A1102 -0.129 17.087 1.662 1.00 0.00 C ATOM 518 C GLN A1102 -0.131 17.211 0.146 1.00 0.00 C ATOM 519 O GLN A1102 -0.973 16.625 -0.531 1.00 0.00 O ATOM 520 CB GLN A1102 -1.314 17.859 2.269 1.00 0.00 C ATOM 521 CG GLN A1102 -1.268 19.366 2.085 1.00 0.00 C ATOM 522 CD GLN A1102 -0.494 20.069 3.179 1.00 0.00 C ATOM 523 OE1 GLN A1102 -0.434 19.599 4.314 1.00 0.00 O ATOM 524 NE2 GLN A1102 0.087 21.207 2.850 1.00 0.00 N ATOM 0 H GLN A1102 1.165 18.468 2.572 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.259 16.041 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.236 17.483 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.361 17.641 3.336 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -0.814 19.596 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.286 19.755 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A1102 0.012 21.561 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A1102 0.611 21.733 3.549 1.00 0.00 H new ATOM 533 N GLU A1103 0.829 17.957 -0.394 1.00 0.00 N ATOM 534 CA GLU A1103 0.951 18.080 -1.834 1.00 0.00 C ATOM 535 C GLU A1103 2.292 17.533 -2.308 1.00 0.00 C ATOM 536 O GLU A1103 2.663 17.686 -3.471 1.00 0.00 O ATOM 537 CB GLU A1103 0.760 19.535 -2.282 1.00 0.00 C ATOM 538 CG GLU A1103 1.627 20.529 -1.530 1.00 0.00 C ATOM 539 CD GLU A1103 1.404 21.961 -1.963 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.319 22.509 -1.681 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.321 22.555 -2.565 1.00 0.00 O ATOM 0 H GLU A1103 1.524 18.478 0.141 1.00 0.00 H new ATOM 0 HA GLU A1103 0.161 17.486 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.980 19.609 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.287 19.810 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.424 20.443 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.676 20.271 -1.677 1.00 0.00 H new ATOM 548 N TRP A1104 2.994 16.863 -1.400 1.00 0.00 N ATOM 549 CA TRP A1104 4.313 16.306 -1.692 1.00 0.00 C ATOM 550 C TRP A1104 4.486 14.948 -1.033 1.00 0.00 C ATOM 551 O TRP A1104 4.624 14.849 0.187 1.00 0.00 O ATOM 552 CB TRP A1104 5.420 17.248 -1.214 1.00 0.00 C ATOM 553 CG TRP A1104 5.463 18.529 -1.976 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.783 19.671 -1.686 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.216 18.792 -3.162 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.056 20.631 -2.630 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.940 20.118 -3.543 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.097 18.034 -3.937 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.514 20.700 -4.671 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.668 18.612 -5.053 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.376 19.936 -5.412 1.00 0.00 C ATOM 0 H TRP A1104 2.670 16.691 -0.448 1.00 0.00 H new ATOM 0 HA TRP A1104 4.388 16.188 -2.773 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.273 17.466 -0.156 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.383 16.745 -1.305 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.126 19.803 -0.839 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.664 21.573 -2.648 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.327 17.014 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.287 21.718 -4.951 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.351 18.035 -5.660 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.840 20.361 -6.290 1.00 0.00 H new ATOM 572 N TRP A1105 4.466 13.904 -1.841 1.00 0.00 N ATOM 573 CA TRP A1105 4.653 12.554 -1.339 1.00 0.00 C ATOM 574 C TRP A1105 5.992 12.003 -1.801 1.00 0.00 C ATOM 575 O TRP A1105 6.622 12.556 -2.698 1.00 0.00 O ATOM 576 CB TRP A1105 3.514 11.641 -1.807 1.00 0.00 C ATOM 577 CG TRP A1105 2.181 11.974 -1.197 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.928 12.902 -0.228 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.919 11.375 -1.513 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.592 12.919 0.077 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.051 11.990 -0.696 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.513 10.380 -2.405 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.398 11.641 -0.750 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.823 10.033 -2.456 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.765 10.663 -1.632 1.00 0.00 C ATOM 0 H TRP A1105 4.322 13.964 -2.849 1.00 0.00 H new ATOM 0 HA TRP A1105 4.642 12.587 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.433 11.704 -2.892 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.766 10.608 -1.566 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.674 13.533 0.232 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.149 13.525 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.232 9.890 -3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.127 12.126 -0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.147 9.264 -3.142 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.803 10.370 -1.695 1.00 0.00 H new ATOM 596 N ILE A1106 6.412 10.913 -1.186 1.00 0.00 N ATOM 597 CA ILE A1106 7.662 10.260 -1.529 1.00 0.00 C ATOM 598 C ILE A1106 7.357 8.909 -2.139 1.00 0.00 C ATOM 599 O ILE A1106 6.568 8.142 -1.596 1.00 0.00 O ATOM 600 CB ILE A1106 8.567 10.055 -0.294 1.00 0.00 C ATOM 601 CG1 ILE A1106 9.014 11.399 0.270 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.775 9.189 -0.643 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.828 11.271 1.542 1.00 0.00 C ATOM 0 H ILE A1106 5.896 10.455 -0.434 1.00 0.00 H new ATOM 0 HA ILE A1106 8.193 10.901 -2.233 1.00 0.00 H new ATOM 0 HB ILE A1106 7.988 9.536 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.605 11.922 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.135 12.013 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.397 9.059 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.435 8.215 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.356 9.674 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A1106 10.115 12.263 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.231 10.775 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.724 10.683 1.343 1.00 0.00 H new ATOM 615 N GLY A1107 7.965 8.621 -3.264 1.00 0.00 N ATOM 616 CA GLY A1107 7.695 7.376 -3.929 1.00 0.00 C ATOM 617 C GLY A1107 8.790 6.988 -4.880 1.00 0.00 C ATOM 618 O GLY A1107 9.856 7.597 -4.885 1.00 0.00 O ATOM 0 H GLY A1107 8.641 9.225 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.568 6.590 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.754 7.455 -4.474 1.00 0.00 H new ATOM 622 N HIS A1108 8.520 5.986 -5.694 1.00 0.00 N ATOM 623 CA HIS A1108 9.504 5.506 -6.656 1.00 0.00 C ATOM 624 C HIS A1108 8.831 5.183 -7.983 1.00 0.00 C ATOM 625 O HIS A1108 7.643 4.851 -8.015 1.00 0.00 O ATOM 626 CB HIS A1108 10.279 4.278 -6.113 1.00 0.00 C ATOM 627 CG HIS A1108 9.502 2.991 -5.956 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.710 2.118 -4.912 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.590 2.391 -6.755 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.965 1.041 -5.083 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.274 1.180 -6.197 1.00 0.00 N ATOM 0 H HIS A1108 7.631 5.487 -5.712 1.00 0.00 H new ATOM 0 HA HIS A1108 10.231 6.301 -6.819 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.120 4.087 -6.779 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.696 4.543 -5.141 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.342 2.278 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.183 2.795 -7.670 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.928 0.189 -4.421 1.00 0.00 H new ATOM 640 N ILE A1109 9.580 5.284 -9.070 1.00 0.00 N ATOM 641 CA ILE A1109 9.055 4.934 -10.385 1.00 0.00 C ATOM 642 C ILE A1109 8.869 3.422 -10.502 1.00 0.00 C ATOM 643 O ILE A1109 9.777 2.651 -10.191 1.00 0.00 O ATOM 644 CB ILE A1109 9.985 5.435 -11.517 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.936 6.965 -11.611 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.611 4.809 -12.856 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.594 7.506 -12.067 1.00 0.00 C ATOM 0 H ILE A1109 10.549 5.604 -9.071 1.00 0.00 H new ATOM 0 HA ILE A1109 8.088 5.425 -10.493 1.00 0.00 H new ATOM 0 HB ILE A1109 11.003 5.129 -11.275 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.176 7.388 -10.635 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.708 7.302 -12.303 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.282 5.180 -13.631 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.700 3.725 -12.788 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.584 5.074 -13.107 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.636 8.594 -12.109 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.360 7.113 -13.057 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.820 7.200 -11.363 1.00 0.00 H new ATOM 659 N GLU A1110 7.677 3.008 -10.917 1.00 0.00 N ATOM 660 CA GLU A1110 7.389 1.604 -11.180 1.00 0.00 C ATOM 661 C GLU A1110 8.298 1.086 -12.285 1.00 0.00 C ATOM 662 O GLU A1110 8.301 1.620 -13.394 1.00 0.00 O ATOM 663 CB GLU A1110 5.924 1.440 -11.589 1.00 0.00 C ATOM 664 CG GLU A1110 4.967 1.316 -10.420 1.00 0.00 C ATOM 665 CD GLU A1110 4.634 -0.126 -10.106 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.444 -0.801 -9.438 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.562 -0.596 -10.545 1.00 0.00 O ATOM 0 H GLU A1110 6.887 3.633 -11.080 1.00 0.00 H new ATOM 0 HA GLU A1110 7.571 1.028 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.629 2.295 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.830 0.554 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.407 1.785 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.049 1.859 -10.645 1.00 0.00 H new ATOM 674 N GLY A1111 9.074 0.059 -11.980 1.00 0.00 N ATOM 675 CA GLY A1111 10.021 -0.463 -12.944 1.00 0.00 C ATOM 676 C GLY A1111 11.397 0.147 -12.769 1.00 0.00 C ATOM 677 O GLY A1111 12.383 -0.373 -13.286 1.00 0.00 O ATOM 0 H GLY A1111 9.066 -0.424 -11.082 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.087 -1.546 -12.838 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.660 -0.263 -13.953 1.00 0.00 H new ATOM 681 N GLN A1112 11.465 1.248 -12.030 1.00 0.00 N ATOM 682 CA GLN A1112 12.734 1.896 -11.740 1.00 0.00 C ATOM 683 C GLN A1112 12.794 2.282 -10.262 1.00 0.00 C ATOM 684 O GLN A1112 12.727 3.462 -9.916 1.00 0.00 O ATOM 685 CB GLN A1112 12.925 3.138 -12.621 1.00 0.00 C ATOM 686 CG GLN A1112 14.354 3.662 -12.642 1.00 0.00 C ATOM 687 CD GLN A1112 15.345 2.625 -13.131 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.010 1.749 -13.928 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.576 2.719 -12.662 1.00 0.00 N ATOM 0 H GLN A1112 10.653 1.710 -11.621 1.00 0.00 H new ATOM 0 HA GLN A1112 13.540 1.196 -11.960 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.620 2.900 -13.640 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.263 3.928 -12.267 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.406 4.541 -13.285 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.635 3.983 -11.639 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.815 3.459 -12.002 1.00 0.00 H new ATOM 0 HE22 GLN A1112 17.287 2.051 -12.959 1.00 0.00 H new ATOM 698 N PRO A1113 12.922 1.287 -9.367 1.00 0.00 N ATOM 699 CA PRO A1113 12.968 1.519 -7.916 1.00 0.00 C ATOM 700 C PRO A1113 14.214 2.293 -7.505 1.00 0.00 C ATOM 701 O PRO A1113 14.343 2.733 -6.365 1.00 0.00 O ATOM 702 CB PRO A1113 12.996 0.108 -7.315 1.00 0.00 C ATOM 703 CG PRO A1113 12.581 -0.802 -8.422 1.00 0.00 C ATOM 704 CD PRO A1113 13.028 -0.142 -9.691 1.00 0.00 C ATOM 0 HA PRO A1113 12.123 2.117 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.992 -0.144 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.317 0.029 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.039 -1.785 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.501 -0.952 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.047 -0.423 -9.956 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.393 -0.414 -10.534 1.00 0.00 H new ATOM 712 N GLU A1114 15.122 2.452 -8.456 1.00 0.00 N ATOM 713 CA GLU A1114 16.346 3.194 -8.239 1.00 0.00 C ATOM 714 C GLU A1114 16.063 4.689 -8.240 1.00 0.00 C ATOM 715 O GLU A1114 16.734 5.452 -7.547 1.00 0.00 O ATOM 716 CB GLU A1114 17.368 2.832 -9.320 1.00 0.00 C ATOM 717 CG GLU A1114 18.684 3.584 -9.210 1.00 0.00 C ATOM 718 CD GLU A1114 19.731 3.042 -10.156 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.697 3.391 -11.353 1.00 0.00 O ATOM 720 OE2 GLU A1114 20.583 2.245 -9.708 1.00 0.00 O ATOM 0 H GLU A1114 15.028 2.070 -9.397 1.00 0.00 H new ATOM 0 HA GLU A1114 16.759 2.929 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.569 1.762 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A1114 16.930 3.029 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.516 4.640 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A1114 19.053 3.520 -8.186 1.00 0.00 H new ATOM 727 N ARG A1115 15.049 5.108 -8.991 1.00 0.00 N ATOM 728 CA ARG A1115 14.713 6.516 -9.054 1.00 0.00 C ATOM 729 C ARG A1115 13.493 6.800 -8.193 1.00 0.00 C ATOM 730 O ARG A1115 12.352 6.537 -8.586 1.00 0.00 O ATOM 731 CB ARG A1115 14.465 6.986 -10.488 1.00 0.00 C ATOM 732 CG ARG A1115 14.812 8.449 -10.684 1.00 0.00 C ATOM 733 CD ARG A1115 14.501 8.934 -12.089 1.00 0.00 C ATOM 734 NE ARG A1115 15.014 10.287 -12.316 1.00 0.00 N ATOM 735 CZ ARG A1115 15.952 10.591 -13.217 1.00 0.00 C ATOM 736 NH1 ARG A1115 16.542 9.628 -13.914 1.00 0.00 N ATOM 737 NH2 ARG A1115 16.313 11.855 -13.401 1.00 0.00 N ATOM 0 H ARG A1115 14.457 4.499 -9.555 1.00 0.00 H new ATOM 0 HA ARG A1115 15.568 7.073 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A1115 15.057 6.380 -11.174 1.00 0.00 H new ATOM 0 HB3 ARG A1115 13.418 6.826 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.258 9.051 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.872 8.599 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A1115 14.940 8.251 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.423 8.921 -12.249 1.00 0.00 H new ATOM 0 HE ARG A1115 14.631 11.045 -11.751 1.00 0.00 H new ATOM 0 HH11 ARG A1115 16.279 8.654 -13.762 1.00 0.00 H new ATOM 0 HH12 ARG A1115 17.258 9.862 -14.602 1.00 0.00 H new ATOM 0 HH21 ARG A1115 15.874 12.596 -12.854 1.00 0.00 H new ATOM 0 HH22 ARG A1115 17.029 12.086 -14.089 1.00 0.00 H new ATOM 751 N LYS A1116 13.755 7.309 -7.006 1.00 0.00 N ATOM 752 CA LYS A1116 12.709 7.670 -6.065 1.00 0.00 C ATOM 753 C LYS A1116 12.803 9.152 -5.745 1.00 0.00 C ATOM 754 O LYS A1116 13.691 9.842 -6.238 1.00 0.00 O ATOM 755 CB LYS A1116 12.839 6.872 -4.765 1.00 0.00 C ATOM 756 CG LYS A1116 13.222 5.418 -4.960 1.00 0.00 C ATOM 757 CD LYS A1116 13.151 4.648 -3.650 1.00 0.00 C ATOM 758 CE LYS A1116 14.048 5.264 -2.590 1.00 0.00 C ATOM 759 NZ LYS A1116 13.896 4.595 -1.273 1.00 0.00 N ATOM 0 H LYS A1116 14.700 7.485 -6.664 1.00 0.00 H new ATOM 0 HA LYS A1116 11.746 7.441 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.586 7.351 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.891 6.917 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.556 4.959 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.232 5.357 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.122 4.632 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.445 3.612 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.087 5.198 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A1116 13.813 6.323 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 14.526 5.047 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 12.910 4.680 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.145 3.589 -1.364 1.00 0.00 H new ATOM 773 N GLY A1117 11.883 9.638 -4.928 1.00 0.00 N ATOM 774 CA GLY A1117 11.958 11.009 -4.482 1.00 0.00 C ATOM 775 C GLY A1117 10.597 11.586 -4.180 1.00 0.00 C ATOM 776 O GLY A1117 9.609 10.847 -4.108 1.00 0.00 O ATOM 0 H GLY A1117 11.089 9.109 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.581 11.065 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.445 11.612 -5.248 1.00 0.00 H new ATOM 780 N VAL A1118 10.540 12.894 -3.992 1.00 0.00 N ATOM 781 CA VAL A1118 9.278 13.570 -3.745 1.00 0.00 C ATOM 782 C VAL A1118 8.599 13.934 -5.057 1.00 0.00 C ATOM 783 O VAL A1118 9.259 14.303 -6.033 1.00 0.00 O ATOM 784 CB VAL A1118 9.448 14.845 -2.882 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.914 14.489 -1.485 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.414 15.825 -3.525 1.00 0.00 C ATOM 0 H VAL A1118 11.354 13.509 -4.006 1.00 0.00 H new ATOM 0 HA VAL A1118 8.655 12.870 -3.188 1.00 0.00 H new ATOM 0 HB VAL A1118 8.473 15.328 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.027 15.399 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.179 13.839 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.872 13.972 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.510 16.708 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.390 15.352 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.036 16.119 -4.504 1.00 0.00 H new ATOM 796 N PHE A1119 7.287 13.805 -5.079 1.00 0.00 N ATOM 797 CA PHE A1119 6.504 14.144 -6.250 1.00 0.00 C ATOM 798 C PHE A1119 5.231 14.875 -5.846 1.00 0.00 C ATOM 799 O PHE A1119 4.576 14.514 -4.860 1.00 0.00 O ATOM 800 CB PHE A1119 6.177 12.892 -7.080 1.00 0.00 C ATOM 801 CG PHE A1119 5.510 11.769 -6.326 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.253 10.920 -5.523 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.145 11.541 -6.446 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.652 9.874 -4.855 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.544 10.486 -5.781 1.00 0.00 C ATOM 806 CZ PHE A1119 4.302 9.654 -4.984 1.00 0.00 C ATOM 0 H PHE A1119 6.737 13.464 -4.291 1.00 0.00 H new ATOM 0 HA PHE A1119 7.099 14.810 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.531 13.185 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.102 12.515 -7.516 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.316 11.079 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.546 12.193 -7.064 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.245 9.225 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.483 10.315 -5.886 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.835 8.831 -4.462 1.00 0.00 H new ATOM 816 N PRO A1120 4.894 15.944 -6.584 1.00 0.00 N ATOM 817 CA PRO A1120 3.686 16.726 -6.336 1.00 0.00 C ATOM 818 C PRO A1120 2.422 15.919 -6.620 1.00 0.00 C ATOM 819 O PRO A1120 2.230 15.405 -7.724 1.00 0.00 O ATOM 820 CB PRO A1120 3.809 17.910 -7.298 1.00 0.00 C ATOM 821 CG PRO A1120 4.760 17.465 -8.357 1.00 0.00 C ATOM 822 CD PRO A1120 5.685 16.476 -7.710 1.00 0.00 C ATOM 0 HA PRO A1120 3.602 17.034 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.841 18.171 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.181 18.796 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.226 17.009 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.317 18.311 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A1120 5.976 15.687 -8.403 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.603 16.952 -7.365 1.00 0.00 H new ATOM 830 N VAL A1121 1.563 15.827 -5.617 1.00 0.00 N ATOM 831 CA VAL A1121 0.359 15.011 -5.691 1.00 0.00 C ATOM 832 C VAL A1121 -0.645 15.589 -6.694 1.00 0.00 C ATOM 833 O VAL A1121 -1.436 14.860 -7.290 1.00 0.00 O ATOM 834 CB VAL A1121 -0.305 14.894 -4.302 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.372 13.813 -4.289 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.737 14.619 -3.233 1.00 0.00 C ATOM 0 H VAL A1121 1.680 16.315 -4.729 1.00 0.00 H new ATOM 0 HA VAL A1121 0.657 14.019 -6.032 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.788 15.847 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.820 13.756 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.142 14.053 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.920 12.853 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.249 14.540 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.251 13.685 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.460 15.435 -3.211 1.00 0.00 H new ATOM 846 N SER A1122 -0.593 16.900 -6.893 1.00 0.00 N ATOM 847 CA SER A1122 -1.507 17.566 -7.813 1.00 0.00 C ATOM 848 C SER A1122 -1.080 17.333 -9.267 1.00 0.00 C ATOM 849 O SER A1122 -1.797 17.689 -10.203 1.00 0.00 O ATOM 850 CB SER A1122 -1.565 19.066 -7.503 1.00 0.00 C ATOM 851 OG SER A1122 -2.617 19.704 -8.210 1.00 0.00 O ATOM 0 H SER A1122 0.070 17.522 -6.431 1.00 0.00 H new ATOM 0 HA SER A1122 -2.502 17.142 -7.681 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.705 19.212 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A1122 -0.615 19.530 -7.767 1.00 0.00 H new ATOM 0 HG SER A1122 -2.774 19.235 -9.056 1.00 0.00 H new ATOM 857 N PHE A1123 0.086 16.728 -9.450 1.00 0.00 N ATOM 858 CA PHE A1123 0.588 16.420 -10.783 1.00 0.00 C ATOM 859 C PHE A1123 0.356 14.956 -11.128 1.00 0.00 C ATOM 860 O PHE A1123 0.672 14.510 -12.234 1.00 0.00 O ATOM 861 CB PHE A1123 2.085 16.731 -10.879 1.00 0.00 C ATOM 862 CG PHE A1123 2.409 18.180 -11.111 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.074 19.148 -10.178 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.059 18.571 -12.269 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.382 20.478 -10.398 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.369 19.897 -12.497 1.00 0.00 C ATOM 867 CZ PHE A1123 3.029 20.853 -11.560 1.00 0.00 C ATOM 0 H PHE A1123 0.703 16.440 -8.691 1.00 0.00 H new ATOM 0 HA PHE A1123 0.043 17.042 -11.493 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.570 16.407 -9.958 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.514 16.142 -11.690 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.567 18.861 -9.269 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.328 17.828 -13.005 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.117 21.223 -9.662 1.00 0.00 H new ATOM 0 HE2 PHE A1123 3.876 20.186 -13.406 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.268 21.891 -11.735 1.00 0.00 H new ATOM 877 N VAL A1124 -0.203 14.207 -10.188 1.00 0.00 N ATOM 878 CA VAL A1124 -0.361 12.774 -10.371 1.00 0.00 C ATOM 879 C VAL A1124 -1.815 12.345 -10.206 1.00 0.00 C ATOM 880 O VAL A1124 -2.598 12.995 -9.511 1.00 0.00 O ATOM 881 CB VAL A1124 0.535 11.978 -9.396 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.997 12.362 -9.569 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.094 12.184 -7.954 1.00 0.00 C ATOM 0 H VAL A1124 -0.552 14.565 -9.299 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.049 12.551 -11.391 1.00 0.00 H new ATOM 0 HB VAL A1124 0.428 10.920 -9.634 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.609 11.789 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.311 12.146 -10.590 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.120 13.426 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.742 11.612 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.159 13.242 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.935 11.845 -7.836 1.00 0.00 H new ATOM 893 N HIS A1125 -2.172 11.259 -10.872 1.00 0.00 N ATOM 894 CA HIS A1125 -3.521 10.716 -10.809 1.00 0.00 C ATOM 895 C HIS A1125 -3.499 9.405 -10.031 1.00 0.00 C ATOM 896 O HIS A1125 -3.108 8.372 -10.560 1.00 0.00 O ATOM 897 CB HIS A1125 -4.043 10.487 -12.231 1.00 0.00 C ATOM 898 CG HIS A1125 -5.531 10.421 -12.351 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.239 11.220 -13.216 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.441 9.622 -11.750 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.513 10.916 -13.145 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.670 9.948 -12.264 1.00 0.00 N ATOM 0 H HIS A1125 -1.538 10.730 -11.470 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.183 11.417 -10.301 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.677 11.290 -12.871 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.621 9.557 -12.612 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.238 8.868 -11.004 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.303 11.382 -13.715 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.557 9.514 -12.008 1.00 0.00 H new ATOM 911 N ILE A1126 -3.916 9.461 -8.781 1.00 0.00 N ATOM 912 CA ILE A1126 -3.762 8.338 -7.856 1.00 0.00 C ATOM 913 C ILE A1126 -4.548 7.099 -8.289 1.00 0.00 C ATOM 914 O ILE A1126 -5.649 7.197 -8.826 1.00 0.00 O ATOM 915 CB ILE A1126 -4.191 8.758 -6.438 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.401 9.997 -6.019 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.986 7.623 -5.438 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.741 10.498 -4.639 1.00 0.00 C ATOM 0 H ILE A1126 -4.370 10.278 -8.373 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.706 8.067 -7.863 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.255 8.993 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.336 9.768 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.584 10.794 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.298 7.951 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.581 6.761 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.932 7.346 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.140 11.379 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.798 10.760 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.531 9.718 -3.907 1.00 0.00 H new ATOM 930 N LEU A1127 -3.945 5.937 -8.053 1.00 0.00 N ATOM 931 CA LEU A1127 -4.565 4.653 -8.325 1.00 0.00 C ATOM 932 C LEU A1127 -4.906 3.976 -7.009 1.00 0.00 C ATOM 933 O LEU A1127 -4.102 3.986 -6.071 1.00 0.00 O ATOM 934 CB LEU A1127 -3.611 3.740 -9.101 1.00 0.00 C ATOM 935 CG LEU A1127 -2.737 4.428 -10.145 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.808 3.423 -10.810 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.594 5.127 -11.187 1.00 0.00 C ATOM 0 H LEU A1127 -3.005 5.864 -7.664 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.462 4.824 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.961 3.234 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.200 2.969 -9.598 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.130 5.179 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.192 3.932 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.166 2.967 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.399 2.649 -11.299 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.951 5.611 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.229 4.395 -11.687 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.218 5.877 -10.701 1.00 0.00 H new ATOM 949 N SER A1128 -6.082 3.394 -6.932 1.00 0.00 N ATOM 950 CA SER A1128 -6.472 2.641 -5.757 1.00 0.00 C ATOM 951 C SER A1128 -6.272 1.149 -5.996 1.00 0.00 C ATOM 952 O SER A1128 -7.133 0.326 -5.684 1.00 0.00 O ATOM 953 CB SER A1128 -7.923 2.955 -5.403 1.00 0.00 C ATOM 954 OG SER A1128 -8.740 3.003 -6.567 1.00 0.00 O ATOM 0 H SER A1128 -6.787 3.427 -7.669 1.00 0.00 H new ATOM 0 HA SER A1128 -5.843 2.931 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A1128 -8.305 2.197 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A1128 -7.974 3.910 -4.881 1.00 0.00 H new ATOM 0 HG SER A1128 -9.664 3.204 -6.310 1.00 0.00 H new ATOM 960 N ASP A1129 -5.120 0.811 -6.560 1.00 0.00 N ATOM 961 CA ASP A1129 -4.810 -0.565 -6.913 1.00 0.00 C ATOM 962 C ASP A1129 -3.332 -0.848 -6.685 1.00 0.00 C ATOM 963 O ASP A1129 -2.512 -0.436 -7.530 1.00 0.00 O ATOM 964 CB ASP A1129 -5.174 -0.831 -8.376 1.00 0.00 C ATOM 965 CG ASP A1129 -5.002 -2.286 -8.758 1.00 0.00 C ATOM 966 OD1 ASP A1129 -5.863 -3.105 -8.372 1.00 0.00 O ATOM 967 OD2 ASP A1129 -4.015 -2.613 -9.451 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.994 -1.478 -5.660 1.00 0.00 O ATOM 0 H ASP A1129 -4.381 1.478 -6.784 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.397 -1.227 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -6.208 -0.532 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -4.550 -0.213 -9.021 1.00 0.00 H new TER 973 ASP A1129