USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 453 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+ 154:sc= 0.17 (180deg=-0.0882) USER MOD Single : A1074 THR OG1 : rot 136:sc= 2.11 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot 170:sc= 0 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A1082 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-4.4!) USER MOD Single : A1112 GLN : amide:sc= 0.939 K(o=0.94,f=-4.4!) USER MOD Single : A1116 LYS NZ :NH3+ 164:sc= -0.0367 (180deg=-0.371) USER MOD Single : A1122 SER OG : rot -47:sc= 0.404 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -1.414 2.098 -2.809 1.00 0.00 N ATOM 20 CA ARG A1070 -1.229 3.522 -3.043 1.00 0.00 C ATOM 21 C ARG A1070 -0.220 3.771 -4.163 1.00 0.00 C ATOM 22 O ARG A1070 0.997 3.737 -3.960 1.00 0.00 O ATOM 23 CB ARG A1070 -0.785 4.221 -1.753 1.00 0.00 C ATOM 24 CG ARG A1070 -0.496 5.705 -1.925 1.00 0.00 C ATOM 25 CD ARG A1070 -1.752 6.527 -2.166 1.00 0.00 C ATOM 26 NE ARG A1070 -2.568 6.665 -0.960 1.00 0.00 N ATOM 27 CZ ARG A1070 -2.268 7.469 0.064 1.00 0.00 C ATOM 28 NH1 ARG A1070 -1.121 8.141 0.076 1.00 0.00 N ATOM 29 NH2 ARG A1070 -3.112 7.586 1.081 1.00 0.00 N ATOM 0 HA ARG A1070 -2.186 3.940 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.562 4.097 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.110 3.728 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A1070 0.011 6.077 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A1070 0.188 5.842 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -1.472 7.517 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.345 6.058 -2.951 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.422 6.111 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.465 8.044 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.897 8.753 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.988 7.063 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.885 8.199 1.864 1.00 0.00 H new ATOM 43 N ARG A1071 -0.744 4.023 -5.346 1.00 0.00 N ATOM 44 CA ARG A1071 0.062 4.357 -6.501 1.00 0.00 C ATOM 45 C ARG A1071 -0.458 5.663 -7.072 1.00 0.00 C ATOM 46 O ARG A1071 -1.516 6.132 -6.668 1.00 0.00 O ATOM 47 CB ARG A1071 -0.041 3.271 -7.575 1.00 0.00 C ATOM 48 CG ARG A1071 0.435 1.891 -7.153 1.00 0.00 C ATOM 49 CD ARG A1071 0.021 0.858 -8.186 1.00 0.00 C ATOM 50 NE ARG A1071 0.603 -0.461 -7.943 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.062 -1.603 -8.116 1.00 0.00 C ATOM 52 NH1 ARG A1071 -1.369 -1.581 -8.344 1.00 0.00 N ATOM 53 NH2 ARG A1071 0.569 -2.763 -7.993 1.00 0.00 N ATOM 0 H ARG A1071 -1.746 4.001 -5.533 1.00 0.00 H new ATOM 0 HA ARG A1071 1.106 4.443 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.081 3.197 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.537 3.586 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.519 1.890 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.014 1.634 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -1.066 0.774 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.319 1.203 -9.176 1.00 0.00 H new ATOM 0 HE ARG A1071 1.571 -0.510 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -1.864 -0.690 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -1.878 -2.455 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A1071 1.563 -2.781 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A1071 0.060 -3.637 -8.125 1.00 0.00 H new ATOM 67 N VAL A1072 0.272 6.248 -7.999 1.00 0.00 N ATOM 68 CA VAL A1072 -0.200 7.427 -8.702 1.00 0.00 C ATOM 69 C VAL A1072 0.178 7.332 -10.184 1.00 0.00 C ATOM 70 O VAL A1072 1.228 6.785 -10.534 1.00 0.00 O ATOM 71 CB VAL A1072 0.370 8.730 -8.099 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.085 8.919 -6.660 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.881 8.749 -8.178 1.00 0.00 C ATOM 0 H VAL A1072 1.197 5.927 -8.285 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.284 7.462 -8.595 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.018 9.560 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.333 9.845 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.173 8.969 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.259 8.079 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.256 9.677 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.285 7.902 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.192 8.682 -9.221 1.00 0.00 H new ATOM 83 N LYS A1073 -0.690 7.836 -11.043 1.00 0.00 N ATOM 84 CA LYS A1073 -0.473 7.825 -12.481 1.00 0.00 C ATOM 85 C LYS A1073 -0.179 9.234 -12.941 1.00 0.00 C ATOM 86 O LYS A1073 -1.068 10.076 -12.983 1.00 0.00 O ATOM 87 CB LYS A1073 -1.720 7.312 -13.202 1.00 0.00 C ATOM 88 CG LYS A1073 -1.408 6.451 -14.409 1.00 0.00 C ATOM 89 CD LYS A1073 -0.557 5.274 -13.993 1.00 0.00 C ATOM 90 CE LYS A1073 -0.551 4.164 -15.040 1.00 0.00 C ATOM 91 NZ LYS A1073 0.178 4.540 -16.282 1.00 0.00 N ATOM 0 H LYS A1073 -1.571 8.267 -10.762 1.00 0.00 H new ATOM 0 HA LYS A1073 0.365 7.167 -12.713 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -2.324 6.736 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.323 8.163 -13.519 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.333 6.099 -14.865 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.886 7.041 -15.162 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.465 5.611 -13.818 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.927 4.877 -13.048 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.094 3.272 -14.613 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.579 3.905 -15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.533 3.682 -16.750 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -0.467 5.043 -16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 0.978 5.159 -16.041 1.00 0.00 H new ATOM 105 N THR A1074 1.064 9.481 -13.261 1.00 0.00 N ATOM 106 CA THR A1074 1.514 10.805 -13.642 1.00 0.00 C ATOM 107 C THR A1074 0.687 11.368 -14.803 1.00 0.00 C ATOM 108 O THR A1074 0.728 10.855 -15.920 1.00 0.00 O ATOM 109 CB THR A1074 3.005 10.759 -14.011 1.00 0.00 C ATOM 110 OG1 THR A1074 3.208 9.913 -15.145 1.00 0.00 O ATOM 111 CG2 THR A1074 3.811 10.216 -12.844 1.00 0.00 C ATOM 0 H THR A1074 1.798 8.773 -13.267 1.00 0.00 H new ATOM 0 HA THR A1074 1.375 11.472 -12.791 1.00 0.00 H new ATOM 0 HB THR A1074 3.333 11.771 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.820 10.350 -15.773 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.867 10.186 -13.113 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.676 10.862 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.470 9.209 -12.603 1.00 0.00 H new ATOM 119 N ILE A1075 -0.085 12.411 -14.522 1.00 0.00 N ATOM 120 CA ILE A1075 -0.952 13.014 -15.529 1.00 0.00 C ATOM 121 C ILE A1075 -0.339 14.301 -16.059 1.00 0.00 C ATOM 122 O ILE A1075 -0.950 15.019 -16.853 1.00 0.00 O ATOM 123 CB ILE A1075 -2.375 13.294 -14.983 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.303 13.953 -13.600 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.195 12.010 -14.939 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.657 14.207 -12.970 1.00 0.00 C ATOM 0 H ILE A1075 -0.129 12.857 -13.606 1.00 0.00 H new ATOM 0 HA ILE A1075 -1.045 12.295 -16.343 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.874 13.988 -15.659 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.717 13.318 -12.936 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.770 14.900 -13.687 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.191 12.227 -14.553 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.278 11.597 -15.944 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.704 11.287 -14.288 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.523 14.675 -11.995 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.239 14.868 -13.612 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.185 13.261 -12.849 1.00 0.00 H new ATOM 138 N TYR A1076 0.879 14.577 -15.614 1.00 0.00 N ATOM 139 CA TYR A1076 1.632 15.736 -16.066 1.00 0.00 C ATOM 140 C TYR A1076 3.113 15.403 -16.136 1.00 0.00 C ATOM 141 O TYR A1076 3.636 14.685 -15.284 1.00 0.00 O ATOM 142 CB TYR A1076 1.420 16.925 -15.123 1.00 0.00 C ATOM 143 CG TYR A1076 0.069 17.579 -15.257 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.165 18.522 -16.249 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.973 17.257 -14.399 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.396 19.124 -16.383 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.211 17.854 -14.529 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.416 18.786 -15.521 1.00 0.00 C ATOM 149 OH TYR A1076 -3.646 19.384 -15.652 1.00 0.00 O ATOM 0 H TYR A1076 1.372 14.003 -14.930 1.00 0.00 H new ATOM 0 HA TYR A1076 1.273 16.007 -17.059 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.549 16.588 -14.095 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.193 17.669 -15.313 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.632 18.788 -16.927 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.813 16.529 -13.618 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.561 19.857 -17.159 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.014 17.591 -13.856 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.254 19.035 -14.968 1.00 0.00 H new ATOM 159 N ASP A1077 3.770 15.895 -17.175 1.00 0.00 N ATOM 160 CA ASP A1077 5.215 15.786 -17.301 1.00 0.00 C ATOM 161 C ASP A1077 5.891 16.649 -16.247 1.00 0.00 C ATOM 162 O ASP A1077 5.709 17.867 -16.221 1.00 0.00 O ATOM 163 CB ASP A1077 5.650 16.231 -18.697 1.00 0.00 C ATOM 164 CG ASP A1077 7.137 16.064 -18.927 1.00 0.00 C ATOM 165 OD1 ASP A1077 7.571 14.928 -19.197 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.873 17.072 -18.873 1.00 0.00 O ATOM 0 H ASP A1077 3.319 16.379 -17.951 1.00 0.00 H new ATOM 0 HA ASP A1077 5.509 14.747 -17.152 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.104 15.655 -19.444 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.380 17.277 -18.841 1.00 0.00 H new ATOM 171 N CYS A1078 6.658 16.020 -15.373 1.00 0.00 N ATOM 172 CA CYS A1078 7.315 16.744 -14.291 1.00 0.00 C ATOM 173 C CYS A1078 8.830 16.662 -14.406 1.00 0.00 C ATOM 174 O CYS A1078 9.435 15.617 -14.145 1.00 0.00 O ATOM 175 CB CYS A1078 6.873 16.215 -12.933 1.00 0.00 C ATOM 176 SG CYS A1078 7.679 17.007 -11.519 1.00 0.00 S ATOM 0 H CYS A1078 6.842 15.017 -15.388 1.00 0.00 H new ATOM 0 HA CYS A1078 7.018 17.789 -14.377 1.00 0.00 H new ATOM 0 HB2 CYS A1078 5.795 16.345 -12.840 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.069 15.144 -12.893 1.00 0.00 H new ATOM 0 HG CYS A1078 7.086 16.642 -10.421 1.00 0.00 H new ATOM 182 N GLN A1079 9.433 17.773 -14.792 1.00 0.00 N ATOM 183 CA GLN A1079 10.876 17.885 -14.845 1.00 0.00 C ATOM 184 C GLN A1079 11.386 18.487 -13.540 1.00 0.00 C ATOM 185 O GLN A1079 11.382 19.707 -13.360 1.00 0.00 O ATOM 186 CB GLN A1079 11.295 18.739 -16.046 1.00 0.00 C ATOM 187 CG GLN A1079 12.799 18.938 -16.172 1.00 0.00 C ATOM 188 CD GLN A1079 13.177 19.664 -17.447 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.397 20.452 -17.984 1.00 0.00 O ATOM 190 NE2 GLN A1079 14.378 19.415 -17.937 1.00 0.00 N ATOM 0 H GLN A1079 8.937 18.618 -15.076 1.00 0.00 H new ATOM 0 HA GLN A1079 11.315 16.895 -14.968 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.923 18.272 -16.958 1.00 0.00 H new ATOM 0 HB3 GLN A1079 10.815 19.715 -15.970 1.00 0.00 H new ATOM 0 HG2 GLN A1079 13.162 19.503 -15.313 1.00 0.00 H new ATOM 0 HG3 GLN A1079 13.295 17.968 -16.148 1.00 0.00 H new ATOM 0 HE21 GLN A1079 14.995 18.756 -17.463 1.00 0.00 H new ATOM 0 HE22 GLN A1079 14.688 19.882 -18.789 1.00 0.00 H new ATOM 199 N ALA A1080 11.779 17.610 -12.625 1.00 0.00 N ATOM 200 CA ALA A1080 12.283 18.006 -11.313 1.00 0.00 C ATOM 201 C ALA A1080 13.448 18.980 -11.436 1.00 0.00 C ATOM 202 O ALA A1080 14.240 18.911 -12.380 1.00 0.00 O ATOM 203 CB ALA A1080 12.721 16.775 -10.542 1.00 0.00 C ATOM 0 H ALA A1080 11.758 16.601 -12.771 1.00 0.00 H new ATOM 0 HA ALA A1080 11.478 18.510 -10.778 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.097 17.073 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A1080 11.872 16.104 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.510 16.262 -11.093 1.00 0.00 H new ATOM 209 N ASP A1081 13.544 19.892 -10.478 1.00 0.00 N ATOM 210 CA ASP A1081 14.610 20.880 -10.473 1.00 0.00 C ATOM 211 C ASP A1081 15.764 20.378 -9.615 1.00 0.00 C ATOM 212 O ASP A1081 16.934 20.623 -9.914 1.00 0.00 O ATOM 213 CB ASP A1081 14.092 22.215 -9.938 1.00 0.00 C ATOM 214 CG ASP A1081 15.015 23.374 -10.256 1.00 0.00 C ATOM 215 OD1 ASP A1081 14.875 23.963 -11.350 1.00 0.00 O ATOM 216 OD2 ASP A1081 15.869 23.720 -9.416 1.00 0.00 O ATOM 0 H ASP A1081 12.895 19.967 -9.694 1.00 0.00 H new ATOM 0 HA ASP A1081 14.963 21.032 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.108 22.414 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A1081 13.965 22.144 -8.858 1.00 0.00 H new ATOM 221 N ASN A1082 15.416 19.667 -8.548 1.00 0.00 N ATOM 222 CA ASN A1082 16.400 19.015 -7.689 1.00 0.00 C ATOM 223 C ASN A1082 16.251 17.506 -7.786 1.00 0.00 C ATOM 224 O ASN A1082 15.193 17.005 -8.158 1.00 0.00 O ATOM 225 CB ASN A1082 16.224 19.442 -6.225 1.00 0.00 C ATOM 226 CG ASN A1082 16.756 20.834 -5.937 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.752 21.712 -6.800 1.00 0.00 O ATOM 228 ND2 ASN A1082 17.218 21.045 -4.714 1.00 0.00 N ATOM 0 H ASN A1082 14.449 19.526 -8.255 1.00 0.00 H new ATOM 0 HA ASN A1082 17.392 19.315 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.165 19.405 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.734 18.725 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A1082 17.588 21.961 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A1082 17.204 20.292 -4.027 1.00 0.00 H new ATOM 235 N ASP A1083 17.312 16.785 -7.437 1.00 0.00 N ATOM 236 CA ASP A1083 17.284 15.322 -7.420 1.00 0.00 C ATOM 237 C ASP A1083 16.424 14.830 -6.269 1.00 0.00 C ATOM 238 O ASP A1083 16.023 13.669 -6.225 1.00 0.00 O ATOM 239 CB ASP A1083 18.696 14.742 -7.275 1.00 0.00 C ATOM 240 CG ASP A1083 19.578 15.008 -8.476 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.146 16.116 -8.567 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.739 14.095 -9.318 1.00 0.00 O ATOM 0 H ASP A1083 18.206 17.190 -7.161 1.00 0.00 H new ATOM 0 HA ASP A1083 16.863 14.987 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.166 15.165 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A1083 18.625 13.666 -7.116 1.00 0.00 H new ATOM 247 N ASP A1084 16.164 15.729 -5.325 1.00 0.00 N ATOM 248 CA ASP A1084 15.294 15.436 -4.194 1.00 0.00 C ATOM 249 C ASP A1084 13.865 15.257 -4.680 1.00 0.00 C ATOM 250 O ASP A1084 13.084 14.499 -4.100 1.00 0.00 O ATOM 251 CB ASP A1084 15.357 16.561 -3.159 1.00 0.00 C ATOM 252 CG ASP A1084 16.753 16.768 -2.615 1.00 0.00 C ATOM 253 OD1 ASP A1084 17.205 15.935 -1.801 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.406 17.760 -3.000 1.00 0.00 O ATOM 0 H ASP A1084 16.548 16.674 -5.323 1.00 0.00 H new ATOM 0 HA ASP A1084 15.634 14.514 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.006 17.488 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.680 16.332 -2.336 1.00 0.00 H new ATOM 259 N GLU A1085 13.538 15.968 -5.749 1.00 0.00 N ATOM 260 CA GLU A1085 12.248 15.848 -6.400 1.00 0.00 C ATOM 261 C GLU A1085 12.315 14.725 -7.417 1.00 0.00 C ATOM 262 O GLU A1085 13.387 14.412 -7.937 1.00 0.00 O ATOM 263 CB GLU A1085 11.883 17.157 -7.098 1.00 0.00 C ATOM 264 CG GLU A1085 11.873 18.359 -6.176 1.00 0.00 C ATOM 265 CD GLU A1085 11.751 19.660 -6.938 1.00 0.00 C ATOM 266 OE1 GLU A1085 12.735 20.056 -7.601 1.00 0.00 O ATOM 267 OE2 GLU A1085 10.680 20.299 -6.874 1.00 0.00 O ATOM 0 H GLU A1085 14.163 16.645 -6.188 1.00 0.00 H new ATOM 0 HA GLU A1085 11.484 15.629 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.592 17.337 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A1085 10.899 17.053 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.043 18.271 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A1085 12.789 18.370 -5.585 1.00 0.00 H new ATOM 274 N LEU A1086 11.186 14.111 -7.699 1.00 0.00 N ATOM 275 CA LEU A1086 11.162 13.018 -8.649 1.00 0.00 C ATOM 276 C LEU A1086 10.890 13.522 -10.059 1.00 0.00 C ATOM 277 O LEU A1086 10.042 14.390 -10.275 1.00 0.00 O ATOM 278 CB LEU A1086 10.125 11.968 -8.260 1.00 0.00 C ATOM 279 CG LEU A1086 10.074 10.761 -9.198 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.438 10.104 -9.296 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.045 9.757 -8.729 1.00 0.00 C ATOM 0 H LEU A1086 10.282 14.346 -7.290 1.00 0.00 H new ATOM 0 HA LEU A1086 12.147 12.552 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.338 11.620 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.141 12.437 -8.235 1.00 0.00 H new ATOM 0 HG LEU A1086 9.784 11.115 -10.187 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.382 9.247 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.161 10.822 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.753 9.770 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.027 8.908 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.303 9.412 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.062 10.227 -8.708 1.00 0.00 H new ATOM 293 N THR A1087 11.610 12.956 -11.012 1.00 0.00 N ATOM 294 CA THR A1087 11.450 13.317 -12.406 1.00 0.00 C ATOM 295 C THR A1087 10.691 12.218 -13.126 1.00 0.00 C ATOM 296 O THR A1087 11.127 11.062 -13.159 1.00 0.00 O ATOM 297 CB THR A1087 12.806 13.537 -13.100 1.00 0.00 C ATOM 298 OG1 THR A1087 13.666 14.316 -12.259 1.00 0.00 O ATOM 299 CG2 THR A1087 12.621 14.247 -14.437 1.00 0.00 C ATOM 0 H THR A1087 12.316 12.239 -10.842 1.00 0.00 H new ATOM 0 HA THR A1087 10.895 14.254 -12.447 1.00 0.00 H new ATOM 0 HB THR A1087 13.259 12.562 -13.281 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.527 14.450 -12.707 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.593 14.392 -14.910 1.00 0.00 H new ATOM 0 HG22 THR A1087 11.988 13.641 -15.086 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.150 15.216 -14.272 1.00 0.00 H new ATOM 307 N PHE A1088 9.558 12.574 -13.688 1.00 0.00 N ATOM 308 CA PHE A1088 8.689 11.605 -14.325 1.00 0.00 C ATOM 309 C PHE A1088 7.975 12.225 -15.512 1.00 0.00 C ATOM 310 O PHE A1088 7.846 13.447 -15.607 1.00 0.00 O ATOM 311 CB PHE A1088 7.670 11.058 -13.319 1.00 0.00 C ATOM 312 CG PHE A1088 6.839 12.105 -12.629 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.766 12.700 -13.274 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.127 12.487 -11.329 1.00 0.00 C ATOM 315 CE1 PHE A1088 4.999 13.653 -12.636 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.363 13.442 -10.688 1.00 0.00 C ATOM 317 CZ PHE A1088 5.298 14.026 -11.344 1.00 0.00 C ATOM 0 H PHE A1088 9.213 13.534 -13.718 1.00 0.00 H new ATOM 0 HA PHE A1088 9.303 10.779 -14.685 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.003 10.369 -13.837 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.201 10.480 -12.563 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.528 12.414 -14.288 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.959 12.033 -10.811 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.164 14.107 -13.149 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.598 13.732 -9.675 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.700 14.774 -10.845 1.00 0.00 H new ATOM 327 N ILE A1089 7.512 11.380 -16.414 1.00 0.00 N ATOM 328 CA ILE A1089 6.777 11.842 -17.571 1.00 0.00 C ATOM 329 C ILE A1089 5.363 11.293 -17.552 1.00 0.00 C ATOM 330 O ILE A1089 5.074 10.281 -16.898 1.00 0.00 O ATOM 331 CB ILE A1089 7.469 11.477 -18.908 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.372 9.972 -19.228 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.916 11.933 -18.877 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.046 9.059 -18.224 1.00 0.00 C ATOM 0 H ILE A1089 7.633 10.368 -16.365 1.00 0.00 H new ATOM 0 HA ILE A1089 6.750 12.930 -17.511 1.00 0.00 H new ATOM 0 HB ILE A1089 6.943 11.998 -19.708 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.319 9.698 -19.297 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.812 9.796 -20.210 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.399 11.674 -19.819 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.954 13.013 -18.734 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.435 11.440 -18.055 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.923 8.022 -18.536 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.108 9.299 -18.170 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.592 9.199 -17.243 1.00 0.00 H new ATOM 346 N GLU A1090 4.493 11.981 -18.267 1.00 0.00 N ATOM 347 CA GLU A1090 3.072 11.694 -18.271 1.00 0.00 C ATOM 348 C GLU A1090 2.789 10.268 -18.723 1.00 0.00 C ATOM 349 O GLU A1090 3.081 9.898 -19.861 1.00 0.00 O ATOM 350 CB GLU A1090 2.377 12.668 -19.207 1.00 0.00 C ATOM 351 CG GLU A1090 0.961 12.999 -18.802 1.00 0.00 C ATOM 352 CD GLU A1090 0.242 13.818 -19.851 1.00 0.00 C ATOM 353 OE1 GLU A1090 0.578 15.007 -20.019 1.00 0.00 O ATOM 354 OE2 GLU A1090 -0.655 13.276 -20.521 1.00 0.00 O ATOM 0 H GLU A1090 4.756 12.763 -18.867 1.00 0.00 H new ATOM 0 HA GLU A1090 2.696 11.803 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.957 13.590 -19.252 1.00 0.00 H new ATOM 0 HB3 GLU A1090 2.368 12.247 -20.212 1.00 0.00 H new ATOM 0 HG2 GLU A1090 0.410 12.075 -18.625 1.00 0.00 H new ATOM 0 HG3 GLU A1090 0.973 13.548 -17.861 1.00 0.00 H new ATOM 361 N GLY A1091 2.222 9.480 -17.827 1.00 0.00 N ATOM 362 CA GLY A1091 1.825 8.135 -18.173 1.00 0.00 C ATOM 363 C GLY A1091 2.535 7.079 -17.354 1.00 0.00 C ATOM 364 O GLY A1091 2.243 5.893 -17.485 1.00 0.00 O ATOM 0 H GLY A1091 2.029 9.749 -16.862 1.00 0.00 H new ATOM 0 HA2 GLY A1091 0.749 8.033 -18.033 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.027 7.963 -19.230 1.00 0.00 H new ATOM 368 N GLU A1092 3.451 7.495 -16.491 1.00 0.00 N ATOM 369 CA GLU A1092 4.197 6.540 -15.686 1.00 0.00 C ATOM 370 C GLU A1092 3.529 6.277 -14.341 1.00 0.00 C ATOM 371 O GLU A1092 2.700 7.058 -13.866 1.00 0.00 O ATOM 372 CB GLU A1092 5.639 6.997 -15.473 1.00 0.00 C ATOM 373 CG GLU A1092 6.604 6.452 -16.516 1.00 0.00 C ATOM 374 CD GLU A1092 6.656 4.931 -16.543 1.00 0.00 C ATOM 375 OE1 GLU A1092 5.991 4.283 -15.705 1.00 0.00 O ATOM 376 OE2 GLU A1092 7.360 4.371 -17.413 1.00 0.00 O ATOM 0 H GLU A1092 3.693 8.473 -16.332 1.00 0.00 H new ATOM 0 HA GLU A1092 4.205 5.605 -16.245 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.674 8.086 -15.490 1.00 0.00 H new ATOM 0 HB3 GLU A1092 5.970 6.683 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.310 6.817 -17.500 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.603 6.840 -16.317 1.00 0.00 H new ATOM 383 N VAL A1093 3.896 5.149 -13.754 1.00 0.00 N ATOM 384 CA VAL A1093 3.396 4.745 -12.456 1.00 0.00 C ATOM 385 C VAL A1093 4.400 5.096 -11.375 1.00 0.00 C ATOM 386 O VAL A1093 5.573 4.725 -11.455 1.00 0.00 O ATOM 387 CB VAL A1093 3.150 3.226 -12.391 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.511 2.826 -11.069 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.304 2.760 -13.561 1.00 0.00 C ATOM 0 H VAL A1093 4.552 4.487 -14.169 1.00 0.00 H new ATOM 0 HA VAL A1093 2.455 5.273 -12.299 1.00 0.00 H new ATOM 0 HB VAL A1093 4.120 2.732 -12.457 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.350 1.748 -11.054 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.170 3.106 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.555 3.337 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A1093 2.146 1.684 -13.490 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.341 3.270 -13.540 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.816 2.991 -14.495 1.00 0.00 H new ATOM 399 N ILE A1094 3.944 5.811 -10.376 1.00 0.00 N ATOM 400 CA ILE A1094 4.749 6.052 -9.199 1.00 0.00 C ATOM 401 C ILE A1094 4.101 5.366 -8.015 1.00 0.00 C ATOM 402 O ILE A1094 2.905 5.518 -7.779 1.00 0.00 O ATOM 403 CB ILE A1094 4.910 7.550 -8.873 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.503 8.316 -10.051 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.786 7.730 -7.640 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.670 9.791 -9.766 1.00 0.00 C ATOM 0 H ILE A1094 3.018 6.238 -10.352 1.00 0.00 H new ATOM 0 HA ILE A1094 5.743 5.654 -9.402 1.00 0.00 H new ATOM 0 HB ILE A1094 3.918 7.955 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.472 7.888 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.860 8.189 -10.922 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.892 8.792 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.325 7.228 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.769 7.298 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.096 10.284 -10.640 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.698 10.230 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.336 9.924 -8.914 1.00 0.00 H new ATOM 418 N ILE A1095 4.874 4.590 -7.292 1.00 0.00 N ATOM 419 CA ILE A1095 4.364 3.937 -6.107 1.00 0.00 C ATOM 420 C ILE A1095 4.737 4.744 -4.884 1.00 0.00 C ATOM 421 O ILE A1095 5.919 5.007 -4.644 1.00 0.00 O ATOM 422 CB ILE A1095 4.895 2.499 -5.977 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.494 1.707 -7.223 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.366 1.840 -4.706 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.796 0.234 -7.143 1.00 0.00 C ATOM 0 H ILE A1095 5.853 4.395 -7.501 1.00 0.00 H new ATOM 0 HA ILE A1095 3.279 3.879 -6.192 1.00 0.00 H new ATOM 0 HB ILE A1095 5.982 2.516 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.426 1.838 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.010 2.126 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.754 0.824 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.689 2.414 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.277 1.811 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.481 -0.253 -8.066 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.867 0.089 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.259 -0.202 -6.301 1.00 0.00 H new ATOM 437 N VAL A1096 3.722 5.159 -4.146 1.00 0.00 N ATOM 438 CA VAL A1096 3.913 5.982 -2.973 1.00 0.00 C ATOM 439 C VAL A1096 4.513 5.158 -1.845 1.00 0.00 C ATOM 440 O VAL A1096 3.881 4.238 -1.324 1.00 0.00 O ATOM 441 CB VAL A1096 2.581 6.606 -2.517 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.776 7.456 -1.271 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.972 7.433 -3.639 1.00 0.00 C ATOM 0 H VAL A1096 2.747 4.934 -4.345 1.00 0.00 H new ATOM 0 HA VAL A1096 4.600 6.788 -3.232 1.00 0.00 H new ATOM 0 HB VAL A1096 1.894 5.797 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.820 7.885 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.165 6.835 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.483 8.258 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A1096 1.031 7.867 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.660 8.231 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.787 6.794 -4.503 1.00 0.00 H new ATOM 453 N THR A1097 5.743 5.481 -1.491 1.00 0.00 N ATOM 454 CA THR A1097 6.459 4.755 -0.465 1.00 0.00 C ATOM 455 C THR A1097 6.566 5.598 0.807 1.00 0.00 C ATOM 456 O THR A1097 7.094 5.153 1.826 1.00 0.00 O ATOM 457 CB THR A1097 7.863 4.356 -0.967 1.00 0.00 C ATOM 458 OG1 THR A1097 8.580 5.522 -1.392 1.00 0.00 O ATOM 459 CG2 THR A1097 7.765 3.375 -2.131 1.00 0.00 C ATOM 0 H THR A1097 6.269 6.250 -1.905 1.00 0.00 H new ATOM 0 HA THR A1097 5.904 3.846 -0.233 1.00 0.00 H new ATOM 0 HB THR A1097 8.393 3.876 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.470 5.262 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.767 3.109 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.240 2.476 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.218 3.838 -2.952 1.00 0.00 H new ATOM 467 N GLY A1098 6.053 6.821 0.733 1.00 0.00 N ATOM 468 CA GLY A1098 6.036 7.700 1.882 1.00 0.00 C ATOM 469 C GLY A1098 5.305 8.997 1.591 1.00 0.00 C ATOM 470 O GLY A1098 4.903 9.242 0.457 1.00 0.00 O ATOM 0 H GLY A1098 5.645 7.220 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.557 7.193 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.059 7.920 2.186 1.00 0.00 H new ATOM 474 N GLU A1099 5.128 9.822 2.610 1.00 0.00 N ATOM 475 CA GLU A1099 4.470 11.120 2.466 1.00 0.00 C ATOM 476 C GLU A1099 5.201 12.134 3.332 1.00 0.00 C ATOM 477 O GLU A1099 5.562 11.820 4.466 1.00 0.00 O ATOM 478 CB GLU A1099 2.999 11.030 2.904 1.00 0.00 C ATOM 479 CG GLU A1099 2.190 9.977 2.160 1.00 0.00 C ATOM 480 CD GLU A1099 0.782 9.822 2.707 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.626 9.711 3.939 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.179 9.800 1.911 1.00 0.00 O ATOM 0 H GLU A1099 5.434 9.616 3.561 1.00 0.00 H new ATOM 0 HA GLU A1099 4.499 11.427 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.962 10.813 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.528 12.003 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.138 10.244 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.706 9.019 2.221 1.00 0.00 H new ATOM 489 N GLU A1100 5.443 13.339 2.822 1.00 0.00 N ATOM 490 CA GLU A1100 6.148 14.334 3.626 1.00 0.00 C ATOM 491 C GLU A1100 5.329 15.612 3.749 1.00 0.00 C ATOM 492 O GLU A1100 5.589 16.449 4.614 1.00 0.00 O ATOM 493 CB GLU A1100 7.542 14.645 3.062 1.00 0.00 C ATOM 494 CG GLU A1100 7.546 15.469 1.791 1.00 0.00 C ATOM 495 CD GLU A1100 8.846 16.232 1.634 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.925 15.618 1.769 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.796 17.460 1.421 1.00 0.00 O ATOM 0 H GLU A1100 5.172 13.644 1.887 1.00 0.00 H new ATOM 0 HA GLU A1100 6.282 13.906 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A1100 8.116 15.174 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A1100 8.058 13.705 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.399 14.816 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A1100 6.711 16.169 1.806 1.00 0.00 H new ATOM 504 N ASP A1101 4.341 15.750 2.883 1.00 0.00 N ATOM 505 CA ASP A1101 3.460 16.905 2.893 1.00 0.00 C ATOM 506 C ASP A1101 2.087 16.466 2.400 1.00 0.00 C ATOM 507 O ASP A1101 1.846 15.269 2.236 1.00 0.00 O ATOM 508 CB ASP A1101 4.044 18.017 2.006 1.00 0.00 C ATOM 509 CG ASP A1101 3.369 19.363 2.194 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.796 20.131 3.080 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.410 19.662 1.453 1.00 0.00 O ATOM 0 H ASP A1101 4.127 15.068 2.156 1.00 0.00 H new ATOM 0 HA ASP A1101 3.365 17.306 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.108 18.120 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.957 17.720 0.961 1.00 0.00 H new ATOM 516 N GLN A1102 1.190 17.402 2.156 1.00 0.00 N ATOM 517 CA GLN A1102 -0.134 17.062 1.670 1.00 0.00 C ATOM 518 C GLN A1102 -0.158 17.102 0.146 1.00 0.00 C ATOM 519 O GLN A1102 -0.957 16.420 -0.496 1.00 0.00 O ATOM 520 CB GLN A1102 -1.185 18.005 2.262 1.00 0.00 C ATOM 521 CG GLN A1102 -2.606 17.656 1.862 1.00 0.00 C ATOM 522 CD GLN A1102 -3.633 18.309 2.758 1.00 0.00 C ATOM 523 OE1 GLN A1102 -4.082 19.427 2.507 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.026 17.605 3.801 1.00 0.00 N ATOM 0 H GLN A1102 1.353 18.401 2.286 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.377 16.049 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.107 17.986 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.967 19.025 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.777 17.966 0.831 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.735 16.574 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -3.628 16.682 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.728 17.984 4.437 1.00 0.00 H new ATOM 533 N GLU A1103 0.744 17.883 -0.433 1.00 0.00 N ATOM 534 CA GLU A1103 0.848 17.966 -1.881 1.00 0.00 C ATOM 535 C GLU A1103 2.204 17.455 -2.330 1.00 0.00 C ATOM 536 O GLU A1103 2.587 17.583 -3.494 1.00 0.00 O ATOM 537 CB GLU A1103 0.604 19.400 -2.367 1.00 0.00 C ATOM 538 CG GLU A1103 1.397 20.451 -1.616 1.00 0.00 C ATOM 539 CD GLU A1103 0.957 21.861 -1.948 1.00 0.00 C ATOM 540 OE1 GLU A1103 1.165 22.304 -3.098 1.00 0.00 O ATOM 541 OE2 GLU A1103 0.402 22.539 -1.054 1.00 0.00 O ATOM 0 H GLU A1103 1.410 18.465 0.075 1.00 0.00 H new ATOM 0 HA GLU A1103 0.077 17.337 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.853 19.461 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.458 19.627 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.290 20.284 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.455 20.340 -1.852 1.00 0.00 H new ATOM 548 N TRP A1104 2.907 16.834 -1.392 1.00 0.00 N ATOM 549 CA TRP A1104 4.245 16.316 -1.639 1.00 0.00 C ATOM 550 C TRP A1104 4.420 14.944 -1.009 1.00 0.00 C ATOM 551 O TRP A1104 4.541 14.804 0.217 1.00 0.00 O ATOM 552 CB TRP A1104 5.305 17.284 -1.116 1.00 0.00 C ATOM 553 CG TRP A1104 5.372 18.538 -1.919 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.637 19.670 -1.734 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.204 18.774 -3.053 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.958 20.598 -2.695 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.926 20.073 -3.511 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.160 18.011 -3.721 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.572 20.625 -4.614 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.801 18.556 -4.813 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.507 19.855 -5.250 1.00 0.00 C ATOM 0 H TRP A1104 2.567 16.676 -0.443 1.00 0.00 H new ATOM 0 HA TRP A1104 4.373 16.215 -2.717 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.087 17.532 -0.077 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.279 16.794 -1.129 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.910 19.816 -0.949 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.544 21.526 -2.786 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.395 17.010 -3.389 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.343 21.624 -4.955 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.542 17.973 -5.340 1.00 0.00 H new ATOM 0 HH2 TRP A1104 8.029 20.256 -6.106 1.00 0.00 H new ATOM 572 N TRP A1105 4.420 13.930 -1.850 1.00 0.00 N ATOM 573 CA TRP A1105 4.567 12.566 -1.387 1.00 0.00 C ATOM 574 C TRP A1105 5.902 12.002 -1.832 1.00 0.00 C ATOM 575 O TRP A1105 6.570 12.566 -2.696 1.00 0.00 O ATOM 576 CB TRP A1105 3.417 11.692 -1.891 1.00 0.00 C ATOM 577 CG TRP A1105 2.105 12.018 -1.247 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.890 12.911 -0.237 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.828 11.460 -1.567 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.563 12.937 0.098 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.113 12.055 -0.704 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.388 10.514 -2.497 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.468 11.733 -0.746 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.955 10.196 -2.536 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.869 10.805 -1.666 1.00 0.00 C ATOM 0 H TRP A1105 4.320 14.026 -2.861 1.00 0.00 H new ATOM 0 HA TRP A1105 4.535 12.567 -0.297 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.324 11.811 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.656 10.645 -1.705 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.657 13.511 0.231 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.146 13.518 0.825 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.085 10.041 -3.172 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.175 12.199 -0.076 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.307 9.465 -3.249 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.913 10.535 -1.724 1.00 0.00 H new ATOM 596 N ILE A1106 6.279 10.894 -1.230 1.00 0.00 N ATOM 597 CA ILE A1106 7.534 10.239 -1.527 1.00 0.00 C ATOM 598 C ILE A1106 7.252 8.903 -2.179 1.00 0.00 C ATOM 599 O ILE A1106 6.418 8.135 -1.705 1.00 0.00 O ATOM 600 CB ILE A1106 8.378 10.025 -0.253 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.736 11.373 0.368 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.642 9.231 -0.565 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.412 11.264 1.716 1.00 0.00 C ATOM 0 H ILE A1106 5.722 10.421 -0.519 1.00 0.00 H new ATOM 0 HA ILE A1106 8.104 10.878 -2.201 1.00 0.00 H new ATOM 0 HB ILE A1106 7.787 9.451 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.392 11.914 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.828 11.966 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.220 9.093 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.369 8.257 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.242 9.774 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.635 12.262 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.750 10.752 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.339 10.699 1.614 1.00 0.00 H new ATOM 615 N GLY A1107 7.920 8.641 -3.275 1.00 0.00 N ATOM 616 CA GLY A1107 7.683 7.420 -3.992 1.00 0.00 C ATOM 617 C GLY A1107 8.690 7.208 -5.085 1.00 0.00 C ATOM 618 O GLY A1107 9.603 8.013 -5.257 1.00 0.00 O ATOM 0 H GLY A1107 8.626 9.253 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.717 6.579 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.681 7.439 -4.420 1.00 0.00 H new ATOM 622 N HIS A1108 8.499 6.150 -5.843 1.00 0.00 N ATOM 623 CA HIS A1108 9.471 5.747 -6.849 1.00 0.00 C ATOM 624 C HIS A1108 8.795 5.476 -8.180 1.00 0.00 C ATOM 625 O HIS A1108 7.619 5.109 -8.226 1.00 0.00 O ATOM 626 CB HIS A1108 10.258 4.500 -6.387 1.00 0.00 C ATOM 627 CG HIS A1108 9.437 3.259 -6.133 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.632 2.443 -5.044 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.446 2.681 -6.849 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.802 1.419 -5.111 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.071 1.537 -6.196 1.00 0.00 N ATOM 0 H HIS A1108 7.678 5.548 -5.785 1.00 0.00 H new ATOM 0 HA HIS A1108 10.173 6.571 -6.980 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.008 4.267 -7.143 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.794 4.751 -5.472 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.312 2.604 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.025 3.055 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.735 0.616 -4.392 1.00 0.00 H new ATOM 640 N ILE A1109 9.541 5.669 -9.255 1.00 0.00 N ATOM 641 CA ILE A1109 9.080 5.291 -10.580 1.00 0.00 C ATOM 642 C ILE A1109 9.053 3.776 -10.697 1.00 0.00 C ATOM 643 O ILE A1109 10.060 3.111 -10.455 1.00 0.00 O ATOM 644 CB ILE A1109 9.987 5.886 -11.685 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.771 7.395 -11.780 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.726 5.224 -13.035 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.358 7.768 -12.173 1.00 0.00 C ATOM 0 H ILE A1109 10.471 6.087 -9.235 1.00 0.00 H new ATOM 0 HA ILE A1109 8.075 5.691 -10.718 1.00 0.00 H new ATOM 0 HB ILE A1109 11.025 5.690 -11.416 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.007 7.851 -10.819 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.466 7.811 -12.509 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.379 5.665 -13.789 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.927 4.155 -12.961 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.686 5.379 -13.321 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.269 8.853 -12.223 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.126 7.339 -13.148 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.660 7.381 -11.431 1.00 0.00 H new ATOM 659 N GLU A1110 7.896 3.231 -11.030 1.00 0.00 N ATOM 660 CA GLU A1110 7.770 1.800 -11.217 1.00 0.00 C ATOM 661 C GLU A1110 8.538 1.394 -12.469 1.00 0.00 C ATOM 662 O GLU A1110 8.486 2.076 -13.492 1.00 0.00 O ATOM 663 CB GLU A1110 6.295 1.400 -11.313 1.00 0.00 C ATOM 664 CG GLU A1110 6.061 -0.101 -11.421 1.00 0.00 C ATOM 665 CD GLU A1110 6.756 -0.897 -10.330 1.00 0.00 C ATOM 666 OE1 GLU A1110 8.002 -0.996 -10.350 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.059 -1.418 -9.438 1.00 0.00 O ATOM 0 H GLU A1110 7.034 3.757 -11.176 1.00 0.00 H new ATOM 0 HA GLU A1110 8.193 1.277 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.770 1.776 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.853 1.889 -12.182 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.990 -0.299 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A1110 6.411 -0.447 -12.393 1.00 0.00 H new ATOM 674 N GLY A1111 9.258 0.291 -12.377 1.00 0.00 N ATOM 675 CA GLY A1111 10.156 -0.103 -13.442 1.00 0.00 C ATOM 676 C GLY A1111 11.578 0.364 -13.193 1.00 0.00 C ATOM 677 O GLY A1111 12.526 -0.206 -13.734 1.00 0.00 O ATOM 0 H GLY A1111 9.238 -0.344 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.144 -1.188 -13.543 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.800 0.309 -14.386 1.00 0.00 H new ATOM 681 N GLN A1112 11.732 1.402 -12.380 1.00 0.00 N ATOM 682 CA GLN A1112 13.053 1.871 -11.977 1.00 0.00 C ATOM 683 C GLN A1112 12.998 2.421 -10.555 1.00 0.00 C ATOM 684 O GLN A1112 12.929 3.635 -10.350 1.00 0.00 O ATOM 685 CB GLN A1112 13.578 2.952 -12.928 1.00 0.00 C ATOM 686 CG GLN A1112 15.048 3.272 -12.703 1.00 0.00 C ATOM 687 CD GLN A1112 15.524 4.493 -13.464 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.010 4.825 -14.532 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.521 5.169 -12.920 1.00 0.00 N ATOM 0 H GLN A1112 10.957 1.936 -11.986 1.00 0.00 H new ATOM 0 HA GLN A1112 13.736 1.022 -12.017 1.00 0.00 H new ATOM 0 HB2 GLN A1112 13.436 2.624 -13.958 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.989 3.860 -12.799 1.00 0.00 H new ATOM 0 HG2 GLN A1112 15.219 3.428 -11.638 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.648 2.412 -12.999 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.921 4.863 -12.033 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.890 5.997 -13.387 1.00 0.00 H new ATOM 698 N PRO A1113 13.040 1.530 -9.552 1.00 0.00 N ATOM 699 CA PRO A1113 12.893 1.910 -8.141 1.00 0.00 C ATOM 700 C PRO A1113 14.059 2.754 -7.629 1.00 0.00 C ATOM 701 O PRO A1113 14.036 3.237 -6.499 1.00 0.00 O ATOM 702 CB PRO A1113 12.839 0.566 -7.408 1.00 0.00 C ATOM 703 CG PRO A1113 13.522 -0.395 -8.316 1.00 0.00 C ATOM 704 CD PRO A1113 13.236 0.077 -9.713 1.00 0.00 C ATOM 0 HA PRO A1113 12.011 2.531 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.342 0.622 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.810 0.263 -7.214 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.595 -0.417 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.150 -1.408 -8.163 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.062 -0.144 -10.388 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.349 -0.404 -10.126 1.00 0.00 H new ATOM 712 N GLU A1114 15.067 2.934 -8.472 1.00 0.00 N ATOM 713 CA GLU A1114 16.224 3.745 -8.125 1.00 0.00 C ATOM 714 C GLU A1114 15.851 5.217 -8.158 1.00 0.00 C ATOM 715 O GLU A1114 16.428 6.041 -7.448 1.00 0.00 O ATOM 716 CB GLU A1114 17.360 3.495 -9.112 1.00 0.00 C ATOM 717 CG GLU A1114 17.684 2.026 -9.314 1.00 0.00 C ATOM 718 CD GLU A1114 18.723 1.821 -10.392 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.446 2.159 -11.558 1.00 0.00 O ATOM 720 OE2 GLU A1114 19.825 1.331 -10.074 1.00 0.00 O ATOM 0 H GLU A1114 15.105 2.526 -9.406 1.00 0.00 H new ATOM 0 HA GLU A1114 16.551 3.471 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.096 3.935 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.254 4.010 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.045 1.602 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A1114 16.775 1.487 -9.579 1.00 0.00 H new ATOM 727 N ARG A1115 14.872 5.540 -8.986 1.00 0.00 N ATOM 728 CA ARG A1115 14.443 6.912 -9.147 1.00 0.00 C ATOM 729 C ARG A1115 13.270 7.190 -8.223 1.00 0.00 C ATOM 730 O ARG A1115 12.115 6.953 -8.583 1.00 0.00 O ATOM 731 CB ARG A1115 14.035 7.180 -10.594 1.00 0.00 C ATOM 732 CG ARG A1115 14.144 8.640 -10.993 1.00 0.00 C ATOM 733 CD ARG A1115 13.426 8.912 -12.303 1.00 0.00 C ATOM 734 NE ARG A1115 13.821 7.982 -13.362 1.00 0.00 N ATOM 735 CZ ARG A1115 13.344 8.029 -14.606 1.00 0.00 C ATOM 736 NH1 ARG A1115 12.494 8.989 -14.951 1.00 0.00 N ATOM 737 NH2 ARG A1115 13.719 7.115 -15.498 1.00 0.00 N ATOM 0 H ARG A1115 14.361 4.867 -9.557 1.00 0.00 H new ATOM 0 HA ARG A1115 15.273 7.571 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A1115 14.662 6.583 -11.256 1.00 0.00 H new ATOM 0 HB3 ARG A1115 13.008 6.847 -10.741 1.00 0.00 H new ATOM 0 HG2 ARG A1115 13.720 9.266 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.194 8.915 -11.088 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.350 8.842 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.635 9.933 -12.623 1.00 0.00 H new ATOM 0 HE ARG A1115 14.501 7.256 -13.135 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.208 9.688 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A1115 12.127 9.028 -15.902 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.372 6.378 -15.230 1.00 0.00 H new ATOM 0 HH22 ARG A1115 13.354 7.151 -16.450 1.00 0.00 H new ATOM 751 N LYS A1116 13.568 7.671 -7.030 1.00 0.00 N ATOM 752 CA LYS A1116 12.536 7.976 -6.061 1.00 0.00 C ATOM 753 C LYS A1116 12.850 9.264 -5.318 1.00 0.00 C ATOM 754 O LYS A1116 13.989 9.734 -5.318 1.00 0.00 O ATOM 755 CB LYS A1116 12.358 6.818 -5.077 1.00 0.00 C ATOM 756 CG LYS A1116 13.545 6.560 -4.173 1.00 0.00 C ATOM 757 CD LYS A1116 13.229 5.435 -3.204 1.00 0.00 C ATOM 758 CE LYS A1116 14.359 5.194 -2.221 1.00 0.00 C ATOM 759 NZ LYS A1116 14.696 6.417 -1.447 1.00 0.00 N ATOM 0 H LYS A1116 14.518 7.858 -6.710 1.00 0.00 H new ATOM 0 HA LYS A1116 11.599 8.116 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.485 7.019 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.146 5.910 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.418 6.300 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A1116 13.795 7.466 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.318 5.674 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.034 4.520 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.077 4.396 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.242 4.852 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.266 6.156 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.238 7.070 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 13.820 6.882 -1.133 1.00 0.00 H new ATOM 773 N GLY A1117 11.830 9.828 -4.695 1.00 0.00 N ATOM 774 CA GLY A1117 11.970 11.093 -4.010 1.00 0.00 C ATOM 775 C GLY A1117 10.623 11.712 -3.754 1.00 0.00 C ATOM 776 O GLY A1117 9.625 10.995 -3.650 1.00 0.00 O ATOM 0 H GLY A1117 10.894 9.425 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.493 10.944 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.579 11.771 -4.608 1.00 0.00 H new ATOM 780 N VAL A1118 10.573 13.030 -3.668 1.00 0.00 N ATOM 781 CA VAL A1118 9.313 13.709 -3.447 1.00 0.00 C ATOM 782 C VAL A1118 8.726 14.194 -4.758 1.00 0.00 C ATOM 783 O VAL A1118 9.419 14.780 -5.593 1.00 0.00 O ATOM 784 CB VAL A1118 9.429 14.883 -2.450 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.753 14.359 -1.071 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.470 15.902 -2.879 1.00 0.00 C ATOM 0 H VAL A1118 11.383 13.644 -3.747 1.00 0.00 H new ATOM 0 HA VAL A1118 8.643 12.975 -3.000 1.00 0.00 H new ATOM 0 HB VAL A1118 8.465 15.392 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.833 15.193 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A1118 8.961 13.686 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.699 13.819 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.514 16.708 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.445 15.419 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.199 16.311 -3.852 1.00 0.00 H new ATOM 796 N PHE A1119 7.454 13.916 -4.945 1.00 0.00 N ATOM 797 CA PHE A1119 6.757 14.309 -6.148 1.00 0.00 C ATOM 798 C PHE A1119 5.464 15.024 -5.795 1.00 0.00 C ATOM 799 O PHE A1119 4.781 14.664 -4.828 1.00 0.00 O ATOM 800 CB PHE A1119 6.485 13.094 -7.052 1.00 0.00 C ATOM 801 CG PHE A1119 5.750 11.953 -6.393 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.422 11.054 -5.580 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.393 11.761 -6.610 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.758 9.997 -4.992 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.728 10.696 -6.027 1.00 0.00 C ATOM 806 CZ PHE A1119 4.417 9.815 -5.218 1.00 0.00 C ATOM 0 H PHE A1119 6.877 13.414 -4.270 1.00 0.00 H new ATOM 0 HA PHE A1119 7.393 14.998 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.908 13.426 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.438 12.722 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.480 11.183 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.850 12.450 -7.240 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.295 9.312 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.672 10.555 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.901 8.983 -4.763 1.00 0.00 H new ATOM 816 N PRO A1120 5.137 16.075 -6.555 1.00 0.00 N ATOM 817 CA PRO A1120 3.916 16.845 -6.350 1.00 0.00 C ATOM 818 C PRO A1120 2.672 16.027 -6.672 1.00 0.00 C ATOM 819 O PRO A1120 2.505 15.531 -7.788 1.00 0.00 O ATOM 820 CB PRO A1120 4.056 18.018 -7.321 1.00 0.00 C ATOM 821 CG PRO A1120 5.001 17.539 -8.368 1.00 0.00 C ATOM 822 CD PRO A1120 5.942 16.599 -7.672 1.00 0.00 C ATOM 0 HA PRO A1120 3.798 17.158 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.093 18.290 -7.753 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.441 18.904 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.468 17.033 -9.174 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.542 18.372 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.277 15.801 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.835 17.114 -7.317 1.00 0.00 H new ATOM 830 N VAL A1121 1.798 15.900 -5.686 1.00 0.00 N ATOM 831 CA VAL A1121 0.593 15.092 -5.819 1.00 0.00 C ATOM 832 C VAL A1121 -0.373 15.721 -6.825 1.00 0.00 C ATOM 833 O VAL A1121 -1.190 15.034 -7.439 1.00 0.00 O ATOM 834 CB VAL A1121 -0.105 14.922 -4.450 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.192 13.863 -4.509 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.909 14.570 -3.377 1.00 0.00 C ATOM 0 H VAL A1121 1.901 16.350 -4.777 1.00 0.00 H new ATOM 0 HA VAL A1121 0.887 14.109 -6.186 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.574 15.873 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.662 13.769 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -1.942 14.152 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.753 12.907 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.401 14.454 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.407 13.636 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.649 15.367 -3.300 1.00 0.00 H new ATOM 846 N SER A1122 -0.238 17.024 -7.028 1.00 0.00 N ATOM 847 CA SER A1122 -1.108 17.756 -7.939 1.00 0.00 C ATOM 848 C SER A1122 -0.677 17.552 -9.399 1.00 0.00 C ATOM 849 O SER A1122 -1.150 18.245 -10.303 1.00 0.00 O ATOM 850 CB SER A1122 -1.095 19.243 -7.572 1.00 0.00 C ATOM 851 OG SER A1122 -2.098 19.963 -8.269 1.00 0.00 O ATOM 0 H SER A1122 0.470 17.599 -6.571 1.00 0.00 H new ATOM 0 HA SER A1122 -2.123 17.372 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.246 19.354 -6.498 1.00 0.00 H new ATOM 0 HB3 SER A1122 -0.117 19.666 -7.802 1.00 0.00 H new ATOM 0 HG SER A1122 -2.076 19.719 -9.218 1.00 0.00 H new ATOM 857 N PHE A1123 0.226 16.602 -9.617 1.00 0.00 N ATOM 858 CA PHE A1123 0.699 16.276 -10.959 1.00 0.00 C ATOM 859 C PHE A1123 0.429 14.814 -11.295 1.00 0.00 C ATOM 860 O PHE A1123 0.759 14.344 -12.386 1.00 0.00 O ATOM 861 CB PHE A1123 2.200 16.560 -11.078 1.00 0.00 C ATOM 862 CG PHE A1123 2.538 17.994 -11.375 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.316 18.992 -10.442 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.092 18.337 -12.596 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.637 20.306 -10.724 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.414 19.646 -12.885 1.00 0.00 C ATOM 867 CZ PHE A1123 3.187 20.633 -11.948 1.00 0.00 C ATOM 0 H PHE A1123 0.648 16.041 -8.877 1.00 0.00 H new ATOM 0 HA PHE A1123 0.155 16.902 -11.666 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.687 16.270 -10.147 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.615 15.931 -11.865 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.887 18.741 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.275 17.569 -13.333 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.458 21.076 -9.988 1.00 0.00 H new ATOM 0 HE2 PHE A1123 3.843 19.898 -13.843 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.439 21.659 -12.171 1.00 0.00 H new ATOM 877 N VAL A1124 -0.178 14.092 -10.364 1.00 0.00 N ATOM 878 CA VAL A1124 -0.378 12.662 -10.539 1.00 0.00 C ATOM 879 C VAL A1124 -1.828 12.264 -10.286 1.00 0.00 C ATOM 880 O VAL A1124 -2.591 13.015 -9.677 1.00 0.00 O ATOM 881 CB VAL A1124 0.548 11.850 -9.613 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.009 12.066 -9.976 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.304 12.211 -8.156 1.00 0.00 C ATOM 0 H VAL A1124 -0.538 14.469 -9.487 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.130 12.434 -11.576 1.00 0.00 H new ATOM 0 HB VAL A1124 0.316 10.794 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.640 11.481 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.179 11.749 -11.005 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.256 13.123 -9.877 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.968 11.626 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.500 13.273 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.732 11.993 -7.896 1.00 0.00 H new ATOM 893 N HIS A1125 -2.205 11.083 -10.763 1.00 0.00 N ATOM 894 CA HIS A1125 -3.573 10.606 -10.643 1.00 0.00 C ATOM 895 C HIS A1125 -3.597 9.342 -9.797 1.00 0.00 C ATOM 896 O HIS A1125 -3.233 8.270 -10.266 1.00 0.00 O ATOM 897 CB HIS A1125 -4.134 10.323 -12.035 1.00 0.00 C ATOM 898 CG HIS A1125 -5.620 10.397 -12.124 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.274 11.422 -12.767 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.581 9.558 -11.684 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.570 11.211 -12.719 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.789 10.084 -12.067 1.00 0.00 N ATOM 0 H HIS A1125 -1.576 10.436 -11.239 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.188 11.365 -10.160 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.704 11.035 -12.739 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.812 9.330 -12.349 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.428 8.642 -11.133 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.329 11.852 -13.142 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.703 9.673 -11.879 1.00 0.00 H new ATOM 911 N ILE A1126 -4.026 9.480 -8.558 1.00 0.00 N ATOM 912 CA ILE A1126 -3.905 8.417 -7.568 1.00 0.00 C ATOM 913 C ILE A1126 -4.679 7.153 -7.941 1.00 0.00 C ATOM 914 O ILE A1126 -5.850 7.203 -8.329 1.00 0.00 O ATOM 915 CB ILE A1126 -4.367 8.916 -6.190 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.512 10.116 -5.778 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.294 7.804 -5.144 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.911 10.718 -4.460 1.00 0.00 C ATOM 0 H ILE A1126 -4.468 10.329 -8.205 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.849 8.148 -7.537 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.410 9.224 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.468 9.806 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.578 10.881 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.627 8.189 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.937 6.977 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.266 7.452 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.261 11.563 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.945 11.060 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.817 9.968 -3.674 1.00 0.00 H new ATOM 930 N LEU A1127 -3.997 6.026 -7.815 1.00 0.00 N ATOM 931 CA LEU A1127 -4.603 4.723 -7.996 1.00 0.00 C ATOM 932 C LEU A1127 -4.980 4.180 -6.632 1.00 0.00 C ATOM 933 O LEU A1127 -4.207 4.300 -5.676 1.00 0.00 O ATOM 934 CB LEU A1127 -3.629 3.761 -8.683 1.00 0.00 C ATOM 935 CG LEU A1127 -2.808 4.360 -9.826 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.938 3.297 -10.475 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.711 5.006 -10.865 1.00 0.00 C ATOM 0 H LEU A1127 -3.004 5.992 -7.583 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.486 4.818 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.943 3.369 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.195 2.914 -9.071 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.162 5.131 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.362 3.743 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.257 2.881 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.570 2.503 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.102 5.424 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.387 4.256 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.292 5.801 -10.398 1.00 0.00 H new