USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1073 LYS NZ :NH3+ 160:sc= -0.032 (180deg=-0.276) USER MOD Single : A1074 THR OG1 : rot 134:sc= 1.79 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot 175:sc= 0 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A1087 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-5.5!) USER MOD Single : A1112 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A1116 LYS NZ :NH3+ -172:sc=-0.00862 (180deg=-0.109) USER MOD Single : A1122 SER OG : rot 180:sc= 0 USER MOD Single : A1125 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1.6) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -0.831 -0.351 0.056 1.00 0.00 N ATOM 2 CA VAL A1069 -0.821 -0.165 -1.409 1.00 0.00 C ATOM 3 C VAL A1069 -1.230 1.256 -1.780 1.00 0.00 C ATOM 4 O VAL A1069 -2.195 1.799 -1.235 1.00 0.00 O ATOM 5 CB VAL A1069 -1.755 -1.172 -2.126 1.00 0.00 C ATOM 6 CG1 VAL A1069 -1.219 -2.590 -2.001 1.00 0.00 C ATOM 7 CG2 VAL A1069 -3.178 -1.083 -1.585 1.00 0.00 C ATOM 0 HA VAL A1069 0.201 -0.347 -1.742 1.00 0.00 H new ATOM 0 HB VAL A1069 -1.781 -0.909 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -1.891 -3.279 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.229 -2.646 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -1.152 -2.862 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -3.811 -1.801 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -3.177 -1.308 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -3.565 -0.076 -1.743 1.00 0.00 H new ATOM 19 N ARG A1070 -0.473 1.867 -2.681 1.00 0.00 N ATOM 20 CA ARG A1070 -0.825 3.178 -3.208 1.00 0.00 C ATOM 21 C ARG A1070 0.050 3.539 -4.401 1.00 0.00 C ATOM 22 O ARG A1070 1.253 3.758 -4.266 1.00 0.00 O ATOM 23 CB ARG A1070 -0.700 4.269 -2.141 1.00 0.00 C ATOM 24 CG ARG A1070 -1.233 5.615 -2.610 1.00 0.00 C ATOM 25 CD ARG A1070 -0.834 6.746 -1.682 1.00 0.00 C ATOM 26 NE ARG A1070 -1.521 6.705 -0.397 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.005 7.205 0.723 1.00 0.00 C ATOM 28 NH1 ARG A1070 0.239 7.668 0.728 1.00 0.00 N ATOM 29 NH2 ARG A1070 -1.724 7.235 1.834 1.00 0.00 N ATOM 0 H ARG A1070 0.389 1.476 -3.062 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.866 3.121 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.242 3.960 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.347 4.376 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.860 5.822 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.320 5.570 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A1070 0.242 6.706 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.045 7.698 -2.169 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.443 6.271 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A1070 0.797 7.640 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A1070 0.637 8.052 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -2.678 6.874 1.834 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -1.324 7.619 2.690 1.00 0.00 H new ATOM 43 N ARG A1071 -0.560 3.583 -5.568 1.00 0.00 N ATOM 44 CA ARG A1071 0.104 4.038 -6.773 1.00 0.00 C ATOM 45 C ARG A1071 -0.524 5.332 -7.258 1.00 0.00 C ATOM 46 O ARG A1071 -1.686 5.625 -6.958 1.00 0.00 O ATOM 47 CB ARG A1071 0.001 2.996 -7.886 1.00 0.00 C ATOM 48 CG ARG A1071 1.190 2.060 -7.996 1.00 0.00 C ATOM 49 CD ARG A1071 1.308 1.142 -6.794 1.00 0.00 C ATOM 50 NE ARG A1071 0.179 0.222 -6.677 1.00 0.00 N ATOM 51 CZ ARG A1071 0.231 -1.073 -6.995 1.00 0.00 C ATOM 52 NH1 ARG A1071 1.314 -1.580 -7.571 1.00 0.00 N ATOM 53 NH2 ARG A1071 -0.809 -1.854 -6.746 1.00 0.00 N ATOM 0 H ARG A1071 -1.531 3.304 -5.708 1.00 0.00 H new ATOM 0 HA ARG A1071 1.155 4.198 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.898 2.401 -7.725 1.00 0.00 H new ATOM 0 HB3 ARG A1071 -0.125 3.513 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.096 1.460 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A1071 2.104 2.646 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A1071 2.232 0.569 -6.868 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.377 1.743 -5.888 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.705 0.593 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A1071 2.113 -0.979 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A1071 1.347 -2.571 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -1.646 -1.465 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -0.773 -2.844 -6.988 1.00 0.00 H new ATOM 67 N VAL A1072 0.247 6.098 -8.005 1.00 0.00 N ATOM 68 CA VAL A1072 -0.254 7.295 -8.651 1.00 0.00 C ATOM 69 C VAL A1072 0.182 7.300 -10.118 1.00 0.00 C ATOM 70 O VAL A1072 1.313 6.932 -10.444 1.00 0.00 O ATOM 71 CB VAL A1072 0.236 8.581 -7.952 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.302 8.652 -6.533 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.752 8.662 -7.949 1.00 0.00 C ATOM 0 H VAL A1072 1.234 5.909 -8.181 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.342 7.283 -8.582 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.144 9.434 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.053 9.565 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.392 8.655 -6.557 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.046 7.787 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.066 9.579 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.161 7.802 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.118 8.664 -8.976 1.00 0.00 H new ATOM 83 N LYS A1073 -0.724 7.684 -10.996 1.00 0.00 N ATOM 84 CA LYS A1073 -0.446 7.751 -12.418 1.00 0.00 C ATOM 85 C LYS A1073 -0.245 9.197 -12.824 1.00 0.00 C ATOM 86 O LYS A1073 -1.196 9.967 -12.893 1.00 0.00 O ATOM 87 CB LYS A1073 -1.596 7.141 -13.228 1.00 0.00 C ATOM 88 CG LYS A1073 -1.492 7.416 -14.722 1.00 0.00 C ATOM 89 CD LYS A1073 -0.236 6.805 -15.313 1.00 0.00 C ATOM 90 CE LYS A1073 -0.405 5.317 -15.565 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.370 5.049 -16.667 1.00 0.00 N ATOM 0 H LYS A1073 -1.674 7.958 -10.744 1.00 0.00 H new ATOM 0 HA LYS A1073 0.459 7.180 -12.624 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.615 6.064 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.542 7.536 -12.858 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.368 7.012 -15.229 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.491 8.492 -14.896 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.009 7.308 -16.249 1.00 0.00 H new ATOM 0 HD3 LYS A1073 0.602 6.967 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.561 4.878 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.751 4.831 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -1.216 4.090 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -2.342 5.128 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -1.228 5.742 -17.429 1.00 0.00 H new ATOM 105 N THR A1074 0.993 9.556 -13.072 1.00 0.00 N ATOM 106 CA THR A1074 1.341 10.922 -13.434 1.00 0.00 C ATOM 107 C THR A1074 0.541 11.403 -14.647 1.00 0.00 C ATOM 108 O THR A1074 0.479 10.727 -15.674 1.00 0.00 O ATOM 109 CB THR A1074 2.841 11.028 -13.735 1.00 0.00 C ATOM 110 OG1 THR A1074 3.174 10.158 -14.816 1.00 0.00 O ATOM 111 CG2 THR A1074 3.658 10.647 -12.513 1.00 0.00 C ATOM 0 H THR A1074 1.788 8.918 -13.031 1.00 0.00 H new ATOM 0 HA THR A1074 1.093 11.559 -12.585 1.00 0.00 H new ATOM 0 HB THR A1074 3.070 12.059 -14.005 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.735 10.637 -15.461 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.720 10.728 -12.745 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.415 11.318 -11.689 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.427 9.621 -12.226 1.00 0.00 H new ATOM 119 N ILE A1075 -0.080 12.563 -14.515 1.00 0.00 N ATOM 120 CA ILE A1075 -0.874 13.131 -15.597 1.00 0.00 C ATOM 121 C ILE A1075 -0.222 14.395 -16.136 1.00 0.00 C ATOM 122 O ILE A1075 -0.742 15.040 -17.048 1.00 0.00 O ATOM 123 CB ILE A1075 -2.315 13.444 -15.137 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.288 14.219 -13.819 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.123 12.161 -14.991 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.657 14.588 -13.297 1.00 0.00 C ATOM 0 H ILE A1075 -0.051 13.132 -13.669 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.921 12.386 -16.391 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.797 14.062 -15.895 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.773 13.621 -13.068 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.705 15.130 -13.956 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.135 12.403 -14.666 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.164 11.645 -15.950 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.650 11.515 -14.252 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.554 15.135 -12.360 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.169 15.214 -14.028 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.238 13.682 -13.126 1.00 0.00 H new ATOM 138 N TYR A1076 0.923 14.740 -15.567 1.00 0.00 N ATOM 139 CA TYR A1076 1.683 15.896 -16.011 1.00 0.00 C ATOM 140 C TYR A1076 3.161 15.555 -16.076 1.00 0.00 C ATOM 141 O TYR A1076 3.653 14.741 -15.296 1.00 0.00 O ATOM 142 CB TYR A1076 1.477 17.082 -15.068 1.00 0.00 C ATOM 143 CG TYR A1076 0.093 17.684 -15.117 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.252 18.594 -16.105 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.866 17.347 -14.173 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.512 19.153 -16.150 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.130 17.900 -14.213 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.448 18.803 -15.202 1.00 0.00 C ATOM 149 OH TYR A1076 -3.706 19.356 -15.247 1.00 0.00 O ATOM 0 H TYR A1076 1.348 14.231 -14.792 1.00 0.00 H new ATOM 0 HA TYR A1076 1.327 16.172 -17.003 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.684 16.760 -14.048 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.205 17.855 -15.312 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.478 18.870 -16.852 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.620 16.641 -13.394 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.764 19.862 -16.925 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.866 17.625 -13.472 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.245 19.003 -14.508 1.00 0.00 H new ATOM 159 N ASP A1077 3.852 16.160 -17.027 1.00 0.00 N ATOM 160 CA ASP A1077 5.300 16.042 -17.123 1.00 0.00 C ATOM 161 C ASP A1077 5.957 16.927 -16.077 1.00 0.00 C ATOM 162 O ASP A1077 5.617 18.106 -15.952 1.00 0.00 O ATOM 163 CB ASP A1077 5.767 16.437 -18.526 1.00 0.00 C ATOM 164 CG ASP A1077 7.274 16.554 -18.641 1.00 0.00 C ATOM 165 OD1 ASP A1077 7.976 15.543 -18.444 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.762 17.663 -18.948 1.00 0.00 O ATOM 0 H ASP A1077 3.431 16.743 -17.750 1.00 0.00 H new ATOM 0 HA ASP A1077 5.589 15.007 -16.941 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.410 15.697 -19.243 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.313 17.390 -18.799 1.00 0.00 H new ATOM 171 N CYS A1078 6.875 16.360 -15.315 1.00 0.00 N ATOM 172 CA CYS A1078 7.541 17.107 -14.259 1.00 0.00 C ATOM 173 C CYS A1078 9.051 17.022 -14.420 1.00 0.00 C ATOM 174 O CYS A1078 9.658 15.983 -14.147 1.00 0.00 O ATOM 175 CB CYS A1078 7.141 16.594 -12.879 1.00 0.00 C ATOM 176 SG CYS A1078 7.693 17.641 -11.506 1.00 0.00 S ATOM 0 H CYS A1078 7.176 15.390 -15.405 1.00 0.00 H new ATOM 0 HA CYS A1078 7.227 18.148 -14.343 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.056 16.504 -12.838 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.549 15.592 -12.744 1.00 0.00 H new ATOM 0 HG CYS A1078 7.213 17.181 -10.389 1.00 0.00 H new ATOM 182 N GLN A1079 9.651 18.111 -14.871 1.00 0.00 N ATOM 183 CA GLN A1079 11.094 18.173 -15.033 1.00 0.00 C ATOM 184 C GLN A1079 11.739 18.665 -13.745 1.00 0.00 C ATOM 185 O GLN A1079 11.939 19.868 -13.553 1.00 0.00 O ATOM 186 CB GLN A1079 11.464 19.090 -16.199 1.00 0.00 C ATOM 187 CG GLN A1079 10.891 18.635 -17.532 1.00 0.00 C ATOM 188 CD GLN A1079 11.346 19.498 -18.689 1.00 0.00 C ATOM 189 OE1 GLN A1079 10.698 20.484 -19.038 1.00 0.00 O ATOM 190 NE2 GLN A1079 12.463 19.130 -19.293 1.00 0.00 N ATOM 0 H GLN A1079 9.160 18.966 -15.132 1.00 0.00 H new ATOM 0 HA GLN A1079 11.466 17.173 -15.255 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.109 20.098 -15.985 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.550 19.144 -16.278 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.187 17.602 -17.716 1.00 0.00 H new ATOM 0 HG3 GLN A1079 9.802 18.650 -17.479 1.00 0.00 H new ATOM 0 HE21 GLN A1079 12.969 18.305 -18.971 1.00 0.00 H new ATOM 0 HE22 GLN A1079 12.819 19.671 -20.081 1.00 0.00 H new ATOM 199 N ALA A1080 12.046 17.722 -12.864 1.00 0.00 N ATOM 200 CA ALA A1080 12.632 18.024 -11.561 1.00 0.00 C ATOM 201 C ALA A1080 13.976 18.728 -11.699 1.00 0.00 C ATOM 202 O ALA A1080 14.731 18.475 -12.641 1.00 0.00 O ATOM 203 CB ALA A1080 12.795 16.745 -10.764 1.00 0.00 C ATOM 0 H ALA A1080 11.897 16.727 -13.030 1.00 0.00 H new ATOM 0 HA ALA A1080 11.956 18.700 -11.036 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.233 16.975 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A1080 11.820 16.278 -10.622 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.450 16.061 -11.304 1.00 0.00 H new ATOM 209 N ASP A1081 14.266 19.617 -10.759 1.00 0.00 N ATOM 210 CA ASP A1081 15.496 20.390 -10.800 1.00 0.00 C ATOM 211 C ASP A1081 16.383 20.040 -9.612 1.00 0.00 C ATOM 212 O ASP A1081 17.611 20.014 -9.719 1.00 0.00 O ATOM 213 CB ASP A1081 15.179 21.886 -10.806 1.00 0.00 C ATOM 214 CG ASP A1081 16.409 22.745 -11.005 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.249 22.402 -11.863 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.523 23.789 -10.332 1.00 0.00 O ATOM 0 H ASP A1081 13.666 19.820 -9.960 1.00 0.00 H new ATOM 0 HA ASP A1081 16.033 20.143 -11.716 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.461 22.098 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.702 22.155 -9.864 1.00 0.00 H new ATOM 221 N ASN A1082 15.750 19.769 -8.481 1.00 0.00 N ATOM 222 CA ASN A1082 16.459 19.333 -7.288 1.00 0.00 C ATOM 223 C ASN A1082 16.506 17.809 -7.266 1.00 0.00 C ATOM 224 O ASN A1082 15.545 17.151 -7.652 1.00 0.00 O ATOM 225 CB ASN A1082 15.756 19.869 -6.031 1.00 0.00 C ATOM 226 CG ASN A1082 16.448 19.454 -4.745 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.664 19.280 -4.705 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.681 19.296 -3.679 1.00 0.00 N ATOM 0 H ASN A1082 14.739 19.844 -8.364 1.00 0.00 H new ATOM 0 HA ASN A1082 17.477 19.724 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.714 20.957 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.727 19.511 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A1082 16.096 19.022 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.675 19.449 -3.748 1.00 0.00 H new ATOM 235 N ASP A1083 17.635 17.262 -6.822 1.00 0.00 N ATOM 236 CA ASP A1083 17.853 15.812 -6.814 1.00 0.00 C ATOM 237 C ASP A1083 16.838 15.096 -5.926 1.00 0.00 C ATOM 238 O ASP A1083 16.602 13.899 -6.081 1.00 0.00 O ATOM 239 CB ASP A1083 19.274 15.491 -6.340 1.00 0.00 C ATOM 240 CG ASP A1083 19.641 14.034 -6.546 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.038 13.673 -7.675 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.545 13.242 -5.583 1.00 0.00 O ATOM 0 H ASP A1083 18.420 17.803 -6.460 1.00 0.00 H new ATOM 0 HA ASP A1083 17.721 15.454 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.983 16.120 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.365 15.739 -5.283 1.00 0.00 H new ATOM 247 N ASP A1084 16.247 15.836 -4.991 1.00 0.00 N ATOM 248 CA ASP A1084 15.209 15.288 -4.117 1.00 0.00 C ATOM 249 C ASP A1084 13.896 15.143 -4.869 1.00 0.00 C ATOM 250 O ASP A1084 13.061 14.304 -4.530 1.00 0.00 O ATOM 251 CB ASP A1084 14.988 16.183 -2.895 1.00 0.00 C ATOM 252 CG ASP A1084 16.177 16.216 -1.962 1.00 0.00 C ATOM 253 OD1 ASP A1084 16.263 15.346 -1.069 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.024 17.120 -2.104 1.00 0.00 O ATOM 0 H ASP A1084 16.468 16.817 -4.818 1.00 0.00 H new ATOM 0 HA ASP A1084 15.548 14.307 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A1084 14.768 17.197 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.114 15.831 -2.348 1.00 0.00 H new ATOM 259 N GLU A1085 13.717 15.971 -5.887 1.00 0.00 N ATOM 260 CA GLU A1085 12.507 15.952 -6.689 1.00 0.00 C ATOM 261 C GLU A1085 12.568 14.812 -7.692 1.00 0.00 C ATOM 262 O GLU A1085 13.636 14.494 -8.226 1.00 0.00 O ATOM 263 CB GLU A1085 12.332 17.271 -7.444 1.00 0.00 C ATOM 264 CG GLU A1085 12.196 18.495 -6.561 1.00 0.00 C ATOM 265 CD GLU A1085 12.090 19.769 -7.378 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.084 20.145 -8.040 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.011 20.397 -7.377 1.00 0.00 O ATOM 0 H GLU A1085 14.401 16.669 -6.177 1.00 0.00 H new ATOM 0 HA GLU A1085 11.659 15.812 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.187 17.411 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.448 17.197 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.312 18.392 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.057 18.561 -5.895 1.00 0.00 H new ATOM 274 N LEU A1086 11.431 14.200 -7.944 1.00 0.00 N ATOM 275 CA LEU A1086 11.355 13.126 -8.912 1.00 0.00 C ATOM 276 C LEU A1086 11.004 13.665 -10.292 1.00 0.00 C ATOM 277 O LEU A1086 10.191 14.579 -10.424 1.00 0.00 O ATOM 278 CB LEU A1086 10.323 12.084 -8.483 1.00 0.00 C ATOM 279 CG LEU A1086 10.132 10.941 -9.475 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.443 10.225 -9.722 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.099 9.961 -8.977 1.00 0.00 C ATOM 0 H LEU A1086 10.546 14.428 -7.492 1.00 0.00 H new ATOM 0 HA LEU A1086 12.335 12.651 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.623 11.668 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.365 12.581 -8.331 1.00 0.00 H new ATOM 0 HG LEU A1086 9.780 11.370 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.286 9.413 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.170 10.928 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.818 9.818 -8.783 1.00 0.00 H new ATOM 0 HD21 LEU A1086 8.982 9.156 -9.702 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.422 9.545 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.146 10.473 -8.846 1.00 0.00 H new ATOM 293 N THR A1087 11.620 13.091 -11.311 1.00 0.00 N ATOM 294 CA THR A1087 11.324 13.458 -12.682 1.00 0.00 C ATOM 295 C THR A1087 10.475 12.374 -13.318 1.00 0.00 C ATOM 296 O THR A1087 10.818 11.192 -13.264 1.00 0.00 O ATOM 297 CB THR A1087 12.605 13.656 -13.513 1.00 0.00 C ATOM 298 OG1 THR A1087 13.471 14.599 -12.870 1.00 0.00 O ATOM 299 CG2 THR A1087 12.279 14.146 -14.917 1.00 0.00 C ATOM 0 H THR A1087 12.331 12.366 -11.212 1.00 0.00 H new ATOM 0 HA THR A1087 10.786 14.406 -12.667 1.00 0.00 H new ATOM 0 HB THR A1087 13.106 12.691 -13.588 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.283 14.716 -13.406 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.203 14.277 -15.480 1.00 0.00 H new ATOM 0 HG22 THR A1087 11.648 13.414 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A1087 11.753 15.099 -14.857 1.00 0.00 H new ATOM 307 N PHE A1088 9.369 12.777 -13.903 1.00 0.00 N ATOM 308 CA PHE A1088 8.444 11.843 -14.516 1.00 0.00 C ATOM 309 C PHE A1088 7.708 12.505 -15.665 1.00 0.00 C ATOM 310 O PHE A1088 7.687 13.730 -15.782 1.00 0.00 O ATOM 311 CB PHE A1088 7.442 11.311 -13.480 1.00 0.00 C ATOM 312 CG PHE A1088 6.711 12.388 -12.725 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.678 13.094 -13.321 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.062 12.695 -11.421 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.011 14.086 -12.632 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.401 13.691 -10.730 1.00 0.00 C ATOM 317 CZ PHE A1088 5.374 14.388 -11.338 1.00 0.00 C ATOM 0 H PHE A1088 9.084 13.754 -13.968 1.00 0.00 H new ATOM 0 HA PHE A1088 9.017 11.001 -14.905 1.00 0.00 H new ATOM 0 HB2 PHE A1088 6.713 10.678 -13.986 1.00 0.00 H new ATOM 0 HB3 PHE A1088 7.973 10.679 -12.768 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.392 12.865 -14.337 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.861 12.150 -10.940 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.205 14.625 -13.107 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.686 13.925 -9.715 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.857 15.168 -10.799 1.00 0.00 H new ATOM 327 N ILE A1089 7.110 11.682 -16.502 1.00 0.00 N ATOM 328 CA ILE A1089 6.349 12.146 -17.646 1.00 0.00 C ATOM 329 C ILE A1089 4.918 11.657 -17.528 1.00 0.00 C ATOM 330 O ILE A1089 4.644 10.740 -16.760 1.00 0.00 O ATOM 331 CB ILE A1089 6.945 11.645 -18.983 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.904 10.106 -19.073 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.366 12.161 -19.155 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.872 9.397 -18.158 1.00 0.00 C ATOM 0 H ILE A1089 7.138 10.667 -16.408 1.00 0.00 H new ATOM 0 HA ILE A1089 6.387 13.235 -17.649 1.00 0.00 H new ATOM 0 HB ILE A1089 6.333 12.038 -19.795 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.893 9.769 -18.843 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.113 9.810 -20.101 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.772 11.800 -20.100 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.360 13.251 -19.155 1.00 0.00 H new ATOM 0 HG23 ILE A1089 8.985 11.802 -18.333 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.773 8.319 -18.289 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.890 9.700 -18.400 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.652 9.659 -17.123 1.00 0.00 H new ATOM 346 N GLU A1090 4.019 12.261 -18.286 1.00 0.00 N ATOM 347 CA GLU A1090 2.599 11.911 -18.220 1.00 0.00 C ATOM 348 C GLU A1090 2.377 10.473 -18.663 1.00 0.00 C ATOM 349 O GLU A1090 2.493 10.152 -19.844 1.00 0.00 O ATOM 350 CB GLU A1090 1.734 12.825 -19.096 1.00 0.00 C ATOM 351 CG GLU A1090 2.234 14.248 -19.217 1.00 0.00 C ATOM 352 CD GLU A1090 3.191 14.419 -20.379 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.398 14.165 -20.208 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.730 14.787 -21.479 1.00 0.00 O ATOM 0 H GLU A1090 4.241 12.997 -18.956 1.00 0.00 H new ATOM 0 HA GLU A1090 2.301 12.037 -17.179 1.00 0.00 H new ATOM 0 HB2 GLU A1090 1.668 12.392 -20.094 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.723 12.844 -18.689 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.386 14.920 -19.345 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.733 14.536 -18.292 1.00 0.00 H new ATOM 361 N GLY A1091 2.054 9.616 -17.711 1.00 0.00 N ATOM 362 CA GLY A1091 1.778 8.230 -18.025 1.00 0.00 C ATOM 363 C GLY A1091 2.747 7.298 -17.340 1.00 0.00 C ATOM 364 O GLY A1091 2.766 6.094 -17.603 1.00 0.00 O ATOM 0 H GLY A1091 1.977 9.855 -16.722 1.00 0.00 H new ATOM 0 HA2 GLY A1091 0.760 7.984 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A1091 1.833 8.083 -19.104 1.00 0.00 H new ATOM 368 N GLU A1092 3.544 7.856 -16.449 1.00 0.00 N ATOM 369 CA GLU A1092 4.510 7.092 -15.700 1.00 0.00 C ATOM 370 C GLU A1092 3.926 6.773 -14.327 1.00 0.00 C ATOM 371 O GLU A1092 3.315 7.632 -13.686 1.00 0.00 O ATOM 372 CB GLU A1092 5.802 7.904 -15.589 1.00 0.00 C ATOM 373 CG GLU A1092 7.008 7.123 -15.107 1.00 0.00 C ATOM 374 CD GLU A1092 7.387 5.963 -16.008 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.563 5.048 -16.189 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.528 5.952 -16.518 1.00 0.00 O ATOM 0 H GLU A1092 3.536 8.852 -16.228 1.00 0.00 H new ATOM 0 HA GLU A1092 4.740 6.151 -16.200 1.00 0.00 H new ATOM 0 HB2 GLU A1092 6.031 8.331 -16.566 1.00 0.00 H new ATOM 0 HB3 GLU A1092 5.632 8.738 -14.908 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.858 7.800 -15.025 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.806 6.742 -14.106 1.00 0.00 H new ATOM 383 N VAL A1093 4.065 5.536 -13.894 1.00 0.00 N ATOM 384 CA VAL A1093 3.482 5.114 -12.632 1.00 0.00 C ATOM 385 C VAL A1093 4.458 5.344 -11.490 1.00 0.00 C ATOM 386 O VAL A1093 5.611 4.930 -11.552 1.00 0.00 O ATOM 387 CB VAL A1093 3.087 3.624 -12.657 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.350 3.236 -11.384 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.244 3.306 -13.883 1.00 0.00 C ATOM 0 H VAL A1093 4.574 4.807 -14.393 1.00 0.00 H new ATOM 0 HA VAL A1093 2.584 5.713 -12.480 1.00 0.00 H new ATOM 0 HB VAL A1093 4.003 3.036 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.082 2.180 -11.426 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.994 3.413 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.445 3.836 -11.290 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.978 2.249 -13.878 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.336 3.909 -13.866 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.813 3.532 -14.785 1.00 0.00 H new ATOM 399 N ILE A1094 3.993 6.017 -10.459 1.00 0.00 N ATOM 400 CA ILE A1094 4.784 6.196 -9.256 1.00 0.00 C ATOM 401 C ILE A1094 4.169 5.396 -8.123 1.00 0.00 C ATOM 402 O ILE A1094 2.962 5.460 -7.890 1.00 0.00 O ATOM 403 CB ILE A1094 4.881 7.675 -8.814 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.472 8.549 -9.920 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.722 7.794 -7.549 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.574 10.010 -9.535 1.00 0.00 C ATOM 0 H ILE A1094 3.070 6.450 -10.428 1.00 0.00 H new ATOM 0 HA ILE A1094 5.791 5.849 -9.487 1.00 0.00 H new ATOM 0 HB ILE A1094 3.871 8.028 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.464 8.177 -10.177 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.856 8.458 -10.815 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.782 8.840 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.261 7.213 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.725 7.414 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.001 10.576 -10.363 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.581 10.396 -9.306 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.214 10.111 -8.658 1.00 0.00 H new ATOM 418 N ILE A1095 4.989 4.629 -7.435 1.00 0.00 N ATOM 419 CA ILE A1095 4.526 3.904 -6.272 1.00 0.00 C ATOM 420 C ILE A1095 4.818 4.717 -5.026 1.00 0.00 C ATOM 421 O ILE A1095 5.977 5.006 -4.718 1.00 0.00 O ATOM 422 CB ILE A1095 5.169 2.508 -6.162 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.895 1.715 -7.444 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.647 1.769 -4.932 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.230 0.247 -7.350 1.00 0.00 C ATOM 0 H ILE A1095 5.974 4.492 -7.660 1.00 0.00 H new ATOM 0 HA ILE A1095 3.452 3.752 -6.375 1.00 0.00 H new ATOM 0 HB ILE A1095 6.247 2.618 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.842 1.819 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.469 2.155 -8.259 1.00 0.00 H new ATOM 0 HG21 ILE A1095 5.114 0.786 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.888 2.339 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.566 1.654 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A1095 5.006 -0.239 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.290 0.129 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.637 -0.212 -6.559 1.00 0.00 H new ATOM 437 N VAL A1096 3.757 5.106 -4.343 1.00 0.00 N ATOM 438 CA VAL A1096 3.856 5.951 -3.167 1.00 0.00 C ATOM 439 C VAL A1096 4.394 5.162 -1.979 1.00 0.00 C ATOM 440 O VAL A1096 3.764 4.206 -1.518 1.00 0.00 O ATOM 441 CB VAL A1096 2.481 6.553 -2.807 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.603 7.498 -1.622 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.876 7.267 -4.009 1.00 0.00 C ATOM 0 H VAL A1096 2.802 4.845 -4.588 1.00 0.00 H new ATOM 0 HA VAL A1096 4.548 6.761 -3.398 1.00 0.00 H new ATOM 0 HB VAL A1096 1.814 5.739 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.623 7.912 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.986 6.952 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.288 8.308 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.907 7.684 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.540 8.071 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.747 6.558 -4.827 1.00 0.00 H new ATOM 453 N THR A1097 5.560 5.560 -1.494 1.00 0.00 N ATOM 454 CA THR A1097 6.210 4.844 -0.414 1.00 0.00 C ATOM 455 C THR A1097 6.217 5.669 0.881 1.00 0.00 C ATOM 456 O THR A1097 6.634 5.181 1.935 1.00 0.00 O ATOM 457 CB THR A1097 7.655 4.449 -0.804 1.00 0.00 C ATOM 458 OG1 THR A1097 8.438 5.620 -1.060 1.00 0.00 O ATOM 459 CG2 THR A1097 7.663 3.559 -2.046 1.00 0.00 C ATOM 0 H THR A1097 6.073 6.374 -1.832 1.00 0.00 H new ATOM 0 HA THR A1097 5.636 3.935 -0.234 1.00 0.00 H new ATOM 0 HB THR A1097 8.085 3.895 0.031 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.350 5.357 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.690 3.296 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.094 2.651 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.210 4.095 -2.880 1.00 0.00 H new ATOM 467 N GLY A1098 5.762 6.920 0.796 1.00 0.00 N ATOM 468 CA GLY A1098 5.656 7.761 1.976 1.00 0.00 C ATOM 469 C GLY A1098 5.069 9.127 1.664 1.00 0.00 C ATOM 470 O GLY A1098 4.762 9.424 0.511 1.00 0.00 O ATOM 0 H GLY A1098 5.465 7.365 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.034 7.262 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.644 7.886 2.419 1.00 0.00 H new ATOM 474 N GLU A1099 4.899 9.953 2.691 1.00 0.00 N ATOM 475 CA GLU A1099 4.401 11.315 2.517 1.00 0.00 C ATOM 476 C GLU A1099 5.418 12.321 3.046 1.00 0.00 C ATOM 477 O GLU A1099 6.269 11.986 3.867 1.00 0.00 O ATOM 478 CB GLU A1099 3.080 11.526 3.264 1.00 0.00 C ATOM 479 CG GLU A1099 1.910 10.708 2.743 1.00 0.00 C ATOM 480 CD GLU A1099 1.864 9.309 3.319 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.677 9.171 4.549 1.00 0.00 O ATOM 482 OE2 GLU A1099 1.999 8.340 2.552 1.00 0.00 O ATOM 0 H GLU A1099 5.100 9.702 3.659 1.00 0.00 H new ATOM 0 HA GLU A1099 4.238 11.466 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.232 11.285 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.816 12.582 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.979 11.223 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A1099 1.972 10.646 1.657 1.00 0.00 H new ATOM 489 N GLU A1100 5.320 13.549 2.558 1.00 0.00 N ATOM 490 CA GLU A1100 6.126 14.658 3.060 1.00 0.00 C ATOM 491 C GLU A1100 5.216 15.763 3.557 1.00 0.00 C ATOM 492 O GLU A1100 5.289 16.184 4.710 1.00 0.00 O ATOM 493 CB GLU A1100 7.030 15.214 1.960 1.00 0.00 C ATOM 494 CG GLU A1100 8.259 14.376 1.688 1.00 0.00 C ATOM 495 CD GLU A1100 9.358 14.609 2.700 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.256 14.099 3.833 1.00 0.00 O ATOM 497 OE2 GLU A1100 10.340 15.300 2.363 1.00 0.00 O ATOM 0 H GLU A1100 4.682 13.807 1.805 1.00 0.00 H new ATOM 0 HA GLU A1100 6.748 14.288 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.452 15.302 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.344 16.221 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.983 13.321 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.635 14.603 0.690 1.00 0.00 H new ATOM 504 N ASP A1101 4.341 16.208 2.676 1.00 0.00 N ATOM 505 CA ASP A1101 3.446 17.309 2.975 1.00 0.00 C ATOM 506 C ASP A1101 2.085 17.041 2.341 1.00 0.00 C ATOM 507 O ASP A1101 1.787 15.899 1.987 1.00 0.00 O ATOM 508 CB ASP A1101 4.043 18.624 2.461 1.00 0.00 C ATOM 509 CG ASP A1101 3.495 19.835 3.188 1.00 0.00 C ATOM 510 OD1 ASP A1101 4.038 20.186 4.255 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.518 20.436 2.697 1.00 0.00 O ATOM 0 H ASP A1101 4.231 15.820 1.739 1.00 0.00 H new ATOM 0 HA ASP A1101 3.317 17.396 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A1101 5.127 18.596 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.837 18.720 1.395 1.00 0.00 H new ATOM 516 N GLN A1102 1.268 18.068 2.177 1.00 0.00 N ATOM 517 CA GLN A1102 -0.067 17.886 1.630 1.00 0.00 C ATOM 518 C GLN A1102 -0.001 17.714 0.118 1.00 0.00 C ATOM 519 O GLN A1102 -0.839 17.043 -0.481 1.00 0.00 O ATOM 520 CB GLN A1102 -0.962 19.075 1.989 1.00 0.00 C ATOM 521 CG GLN A1102 -0.502 20.393 1.389 1.00 0.00 C ATOM 522 CD GLN A1102 -1.435 21.539 1.719 1.00 0.00 C ATOM 523 OE1 GLN A1102 -1.266 22.220 2.730 1.00 0.00 O ATOM 524 NE2 GLN A1102 -2.423 21.759 0.868 1.00 0.00 N ATOM 0 H GLN A1102 1.503 19.032 2.413 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.497 16.985 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.978 18.868 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.000 19.174 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A1102 0.498 20.626 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.428 20.289 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -2.525 21.169 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -3.083 22.518 1.038 1.00 0.00 H new ATOM 533 N GLU A1103 1.021 18.296 -0.491 1.00 0.00 N ATOM 534 CA GLU A1103 1.140 18.290 -1.938 1.00 0.00 C ATOM 535 C GLU A1103 2.440 17.636 -2.376 1.00 0.00 C ATOM 536 O GLU A1103 2.806 17.676 -3.548 1.00 0.00 O ATOM 537 CB GLU A1103 1.046 19.720 -2.477 1.00 0.00 C ATOM 538 CG GLU A1103 1.888 20.715 -1.700 1.00 0.00 C ATOM 539 CD GLU A1103 1.773 22.126 -2.235 1.00 0.00 C ATOM 540 OE1 GLU A1103 2.552 22.489 -3.142 1.00 0.00 O ATOM 541 OE2 GLU A1103 0.913 22.884 -1.740 1.00 0.00 O ATOM 0 H GLU A1103 1.778 18.777 -0.005 1.00 0.00 H new ATOM 0 HA GLU A1103 0.318 17.704 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.359 19.728 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A1103 0.005 20.041 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.583 20.702 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.932 20.403 -1.732 1.00 0.00 H new ATOM 548 N TRP A1104 3.111 17.006 -1.426 1.00 0.00 N ATOM 549 CA TRP A1104 4.402 16.379 -1.679 1.00 0.00 C ATOM 550 C TRP A1104 4.472 15.023 -1.011 1.00 0.00 C ATOM 551 O TRP A1104 4.400 14.919 0.214 1.00 0.00 O ATOM 552 CB TRP A1104 5.548 17.268 -1.183 1.00 0.00 C ATOM 553 CG TRP A1104 5.658 18.544 -1.949 1.00 0.00 C ATOM 554 CD1 TRP A1104 5.060 19.730 -1.652 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.396 18.754 -3.157 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.378 20.668 -2.600 1.00 0.00 N ATOM 557 CE2 TRP A1104 6.201 20.094 -3.534 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.204 17.940 -3.954 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.784 20.637 -4.675 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.783 18.480 -5.084 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.571 19.817 -5.436 1.00 0.00 C ATOM 0 H TRP A1104 2.782 16.914 -0.465 1.00 0.00 H new ATOM 0 HA TRP A1104 4.508 16.248 -2.756 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.397 17.494 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.487 16.720 -1.260 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.427 19.906 -0.795 1.00 0.00 H new ATOM 0 HE1 TRP A1104 5.055 21.635 -2.609 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.373 16.906 -3.690 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.621 21.669 -4.950 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.410 17.860 -5.707 1.00 0.00 H new ATOM 0 HH2 TRP A1104 8.038 20.210 -6.327 1.00 0.00 H new ATOM 572 N TRP A1105 4.573 13.984 -1.819 1.00 0.00 N ATOM 573 CA TRP A1105 4.701 12.631 -1.307 1.00 0.00 C ATOM 574 C TRP A1105 6.043 12.041 -1.719 1.00 0.00 C ATOM 575 O TRP A1105 6.739 12.597 -2.567 1.00 0.00 O ATOM 576 CB TRP A1105 3.557 11.748 -1.821 1.00 0.00 C ATOM 577 CG TRP A1105 2.204 12.100 -1.262 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.910 13.080 -0.355 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.961 11.463 -1.573 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.563 13.094 -0.091 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.043 12.109 -0.824 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.596 10.411 -2.415 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.382 11.734 -0.894 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.732 10.039 -2.483 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.707 10.698 -1.726 1.00 0.00 C ATOM 0 H TRP A1105 4.569 14.051 -2.837 1.00 0.00 H new ATOM 0 HA TRP A1105 4.647 12.667 -0.219 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.518 11.820 -2.908 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.778 10.709 -1.578 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.634 13.747 0.090 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.090 13.734 0.547 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.341 9.896 -3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.137 12.243 -0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.023 9.226 -3.131 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.737 10.382 -1.800 1.00 0.00 H new ATOM 596 N ILE A1106 6.392 10.918 -1.118 1.00 0.00 N ATOM 597 CA ILE A1106 7.639 10.228 -1.411 1.00 0.00 C ATOM 598 C ILE A1106 7.329 8.888 -2.045 1.00 0.00 C ATOM 599 O ILE A1106 6.372 8.218 -1.657 1.00 0.00 O ATOM 600 CB ILE A1106 8.482 9.995 -0.137 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.967 11.318 0.443 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.667 9.075 -0.421 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.678 11.160 1.769 1.00 0.00 C ATOM 0 H ILE A1106 5.819 10.456 -0.412 1.00 0.00 H new ATOM 0 HA ILE A1106 8.216 10.856 -2.090 1.00 0.00 H new ATOM 0 HB ILE A1106 7.841 9.509 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.641 11.795 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.115 11.985 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.242 8.929 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.302 8.112 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.304 9.526 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.999 12.138 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.000 10.711 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.549 10.517 1.641 1.00 0.00 H new ATOM 615 N GLY A1107 8.112 8.509 -3.032 1.00 0.00 N ATOM 616 CA GLY A1107 7.909 7.240 -3.673 1.00 0.00 C ATOM 617 C GLY A1107 8.992 6.935 -4.666 1.00 0.00 C ATOM 618 O GLY A1107 10.104 7.452 -4.560 1.00 0.00 O ATOM 0 H GLY A1107 8.887 9.060 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.876 6.454 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.943 7.239 -4.178 1.00 0.00 H new ATOM 622 N HIS A1108 8.660 6.115 -5.638 1.00 0.00 N ATOM 623 CA HIS A1108 9.605 5.719 -6.665 1.00 0.00 C ATOM 624 C HIS A1108 8.865 5.466 -7.975 1.00 0.00 C ATOM 625 O HIS A1108 7.673 5.153 -7.967 1.00 0.00 O ATOM 626 CB HIS A1108 10.401 4.468 -6.236 1.00 0.00 C ATOM 627 CG HIS A1108 9.603 3.205 -6.048 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.812 2.331 -5.005 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.646 2.634 -6.812 1.00 0.00 C ATOM 630 CE1 HIS A1108 9.026 1.280 -5.152 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.308 1.437 -6.243 1.00 0.00 N ATOM 0 H HIS A1108 7.732 5.704 -5.741 1.00 0.00 H new ATOM 0 HA HIS A1108 10.320 6.529 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.171 4.279 -6.984 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.913 4.692 -5.300 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.470 2.473 -4.239 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.222 3.050 -7.714 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.980 0.431 -4.486 1.00 0.00 H new ATOM 640 N ILE A1109 9.561 5.613 -9.086 1.00 0.00 N ATOM 641 CA ILE A1109 8.998 5.285 -10.388 1.00 0.00 C ATOM 642 C ILE A1109 8.901 3.771 -10.547 1.00 0.00 C ATOM 643 O ILE A1109 9.861 3.049 -10.288 1.00 0.00 O ATOM 644 CB ILE A1109 9.848 5.889 -11.537 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.679 7.413 -11.586 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.482 5.271 -12.883 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.286 7.862 -11.982 1.00 0.00 C ATOM 0 H ILE A1109 10.520 5.958 -9.116 1.00 0.00 H new ATOM 0 HA ILE A1109 7.999 5.718 -10.445 1.00 0.00 H new ATOM 0 HB ILE A1109 10.894 5.657 -11.335 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.920 7.827 -10.607 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.398 7.826 -12.293 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.095 5.716 -13.666 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.659 4.196 -12.850 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.430 5.459 -13.096 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.245 8.951 -11.994 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.048 7.478 -12.974 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.562 7.480 -11.262 1.00 0.00 H new ATOM 659 N GLU A1110 7.732 3.294 -10.942 1.00 0.00 N ATOM 660 CA GLU A1110 7.529 1.880 -11.195 1.00 0.00 C ATOM 661 C GLU A1110 8.182 1.510 -12.523 1.00 0.00 C ATOM 662 O GLU A1110 8.129 2.276 -13.486 1.00 0.00 O ATOM 663 CB GLU A1110 6.028 1.564 -11.205 1.00 0.00 C ATOM 664 CG GLU A1110 5.675 0.140 -11.619 1.00 0.00 C ATOM 665 CD GLU A1110 6.258 -0.927 -10.714 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.482 -1.184 -10.783 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.489 -1.537 -9.951 1.00 0.00 O ATOM 0 H GLU A1110 6.905 3.871 -11.095 1.00 0.00 H new ATOM 0 HA GLU A1110 7.991 1.288 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.626 1.747 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.530 2.258 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.590 0.035 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU A1110 6.027 -0.029 -12.637 1.00 0.00 H new ATOM 674 N GLY A1111 8.805 0.347 -12.564 1.00 0.00 N ATOM 675 CA GLY A1111 9.567 -0.046 -13.727 1.00 0.00 C ATOM 676 C GLY A1111 11.033 0.295 -13.570 1.00 0.00 C ATOM 677 O GLY A1111 11.908 -0.473 -13.971 1.00 0.00 O ATOM 0 H GLY A1111 8.797 -0.337 -11.807 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.457 -1.118 -13.890 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.169 0.453 -14.610 1.00 0.00 H new ATOM 681 N GLN A1112 11.302 1.448 -12.979 1.00 0.00 N ATOM 682 CA GLN A1112 12.664 1.867 -12.701 1.00 0.00 C ATOM 683 C GLN A1112 12.720 2.504 -11.314 1.00 0.00 C ATOM 684 O GLN A1112 12.746 3.730 -11.179 1.00 0.00 O ATOM 685 CB GLN A1112 13.150 2.852 -13.767 1.00 0.00 C ATOM 686 CG GLN A1112 14.660 3.024 -13.792 1.00 0.00 C ATOM 687 CD GLN A1112 15.117 3.995 -14.862 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.347 3.615 -16.010 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.278 5.251 -14.488 1.00 0.00 N ATOM 0 H GLN A1112 10.589 2.114 -12.681 1.00 0.00 H new ATOM 0 HA GLN A1112 13.321 0.998 -12.724 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.815 2.509 -14.746 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.685 3.822 -13.593 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.998 3.377 -12.818 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.130 2.055 -13.961 1.00 0.00 H new ATOM 0 HE21 GLN A1112 15.077 5.527 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A1112 15.604 5.946 -15.160 1.00 0.00 H new ATOM 698 N PRO A1113 12.747 1.665 -10.260 1.00 0.00 N ATOM 699 CA PRO A1113 12.641 2.119 -8.866 1.00 0.00 C ATOM 700 C PRO A1113 13.896 2.821 -8.360 1.00 0.00 C ATOM 701 O PRO A1113 14.059 3.023 -7.159 1.00 0.00 O ATOM 702 CB PRO A1113 12.404 0.821 -8.094 1.00 0.00 C ATOM 703 CG PRO A1113 13.070 -0.225 -8.916 1.00 0.00 C ATOM 704 CD PRO A1113 12.889 0.198 -10.348 1.00 0.00 C ATOM 0 HA PRO A1113 11.852 2.862 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A1113 12.831 0.871 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.340 0.617 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.127 -0.306 -8.663 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.624 -1.204 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A1113 13.744 -0.086 -10.961 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.009 -0.264 -10.795 1.00 0.00 H new ATOM 712 N GLU A1114 14.777 3.187 -9.276 1.00 0.00 N ATOM 713 CA GLU A1114 15.955 3.962 -8.930 1.00 0.00 C ATOM 714 C GLU A1114 15.611 5.445 -8.951 1.00 0.00 C ATOM 715 O GLU A1114 16.299 6.271 -8.353 1.00 0.00 O ATOM 716 CB GLU A1114 17.094 3.654 -9.897 1.00 0.00 C ATOM 717 CG GLU A1114 17.487 2.184 -9.915 1.00 0.00 C ATOM 718 CD GLU A1114 18.008 1.697 -8.578 1.00 0.00 C ATOM 719 OE1 GLU A1114 17.196 1.245 -7.741 1.00 0.00 O ATOM 720 OE2 GLU A1114 19.237 1.748 -8.366 1.00 0.00 O ATOM 0 H GLU A1114 14.698 2.959 -10.267 1.00 0.00 H new ATOM 0 HA GLU A1114 16.284 3.692 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.800 3.957 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A1114 17.964 4.252 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A1114 16.623 1.585 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.251 2.027 -10.676 1.00 0.00 H new ATOM 727 N ARG A1115 14.526 5.769 -9.638 1.00 0.00 N ATOM 728 CA ARG A1115 13.990 7.118 -9.632 1.00 0.00 C ATOM 729 C ARG A1115 13.067 7.287 -8.442 1.00 0.00 C ATOM 730 O ARG A1115 11.884 6.965 -8.525 1.00 0.00 O ATOM 731 CB ARG A1115 13.189 7.413 -10.898 1.00 0.00 C ATOM 732 CG ARG A1115 14.007 7.745 -12.126 1.00 0.00 C ATOM 733 CD ARG A1115 13.149 8.506 -13.127 1.00 0.00 C ATOM 734 NE ARG A1115 13.820 8.702 -14.408 1.00 0.00 N ATOM 735 CZ ARG A1115 14.511 9.795 -14.737 1.00 0.00 C ATOM 736 NH1 ARG A1115 14.672 10.786 -13.865 1.00 0.00 N ATOM 737 NH2 ARG A1115 15.039 9.897 -15.948 1.00 0.00 N ATOM 0 H ARG A1115 13.998 5.110 -10.210 1.00 0.00 H new ATOM 0 HA ARG A1115 14.833 7.807 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.565 6.547 -11.122 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.517 8.246 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.873 8.344 -11.846 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.386 6.829 -12.580 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.218 7.963 -13.288 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.883 9.477 -12.708 1.00 0.00 H new ATOM 0 HE ARG A1115 13.757 7.953 -15.098 1.00 0.00 H new ATOM 0 HH11 ARG A1115 14.265 10.716 -12.932 1.00 0.00 H new ATOM 0 HH12 ARG A1115 15.202 11.616 -14.129 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.916 9.142 -16.623 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.568 10.730 -16.205 1.00 0.00 H new ATOM 751 N LYS A1116 13.595 7.758 -7.332 1.00 0.00 N ATOM 752 CA LYS A1116 12.770 7.964 -6.154 1.00 0.00 C ATOM 753 C LYS A1116 12.899 9.387 -5.645 1.00 0.00 C ATOM 754 O LYS A1116 13.757 10.144 -6.098 1.00 0.00 O ATOM 755 CB LYS A1116 13.153 6.997 -5.041 1.00 0.00 C ATOM 756 CG LYS A1116 13.487 5.604 -5.529 1.00 0.00 C ATOM 757 CD LYS A1116 13.578 4.622 -4.378 1.00 0.00 C ATOM 758 CE LYS A1116 14.713 4.971 -3.426 1.00 0.00 C ATOM 759 NZ LYS A1116 16.051 4.848 -4.067 1.00 0.00 N ATOM 0 H LYS A1116 14.578 8.004 -7.218 1.00 0.00 H new ATOM 0 HA LYS A1116 11.736 7.779 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A1116 14.012 7.399 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.331 6.935 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.725 5.271 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.434 5.623 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.635 4.614 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.728 3.616 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.579 5.990 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.668 4.315 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.793 4.963 -3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 16.139 3.911 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 16.157 5.584 -4.794 1.00 0.00 H new ATOM 773 N GLY A1117 12.045 9.742 -4.703 1.00 0.00 N ATOM 774 CA GLY A1117 12.118 11.051 -4.101 1.00 0.00 C ATOM 775 C GLY A1117 10.748 11.629 -3.860 1.00 0.00 C ATOM 776 O GLY A1117 9.777 10.884 -3.707 1.00 0.00 O ATOM 0 H GLY A1117 11.300 9.145 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.658 10.988 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.686 11.719 -4.749 1.00 0.00 H new ATOM 780 N VAL A1118 10.662 12.949 -3.834 1.00 0.00 N ATOM 781 CA VAL A1118 9.393 13.621 -3.615 1.00 0.00 C ATOM 782 C VAL A1118 8.729 13.965 -4.942 1.00 0.00 C ATOM 783 O VAL A1118 9.399 14.334 -5.910 1.00 0.00 O ATOM 784 CB VAL A1118 9.549 14.911 -2.776 1.00 0.00 C ATOM 785 CG1 VAL A1118 10.030 14.579 -1.377 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.496 15.899 -3.443 1.00 0.00 C ATOM 0 H VAL A1118 11.456 13.576 -3.962 1.00 0.00 H new ATOM 0 HA VAL A1118 8.766 12.926 -3.057 1.00 0.00 H new ATOM 0 HB VAL A1118 8.569 15.383 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.134 15.498 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.307 13.925 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.995 14.075 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.582 16.794 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.478 15.441 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.106 16.171 -4.424 1.00 0.00 H new ATOM 796 N PHE A1119 7.418 13.830 -4.982 1.00 0.00 N ATOM 797 CA PHE A1119 6.656 14.156 -6.172 1.00 0.00 C ATOM 798 C PHE A1119 5.393 14.922 -5.802 1.00 0.00 C ATOM 799 O PHE A1119 4.721 14.597 -4.817 1.00 0.00 O ATOM 800 CB PHE A1119 6.315 12.890 -6.975 1.00 0.00 C ATOM 801 CG PHE A1119 5.666 11.788 -6.181 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.434 10.922 -5.422 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.292 11.599 -6.216 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.850 9.896 -4.717 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.704 10.571 -5.503 1.00 0.00 C ATOM 806 CZ PHE A1119 4.488 9.720 -4.753 1.00 0.00 C ATOM 0 H PHE A1119 6.856 13.495 -4.200 1.00 0.00 H new ATOM 0 HA PHE A1119 7.272 14.794 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.652 13.166 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.231 12.504 -7.422 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.505 11.054 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.676 12.261 -6.806 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.464 9.226 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.633 10.435 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.032 8.916 -4.195 1.00 0.00 H new ATOM 816 N PRO A1120 5.083 15.979 -6.570 1.00 0.00 N ATOM 817 CA PRO A1120 3.893 16.800 -6.351 1.00 0.00 C ATOM 818 C PRO A1120 2.606 16.038 -6.652 1.00 0.00 C ATOM 819 O PRO A1120 2.400 15.546 -7.765 1.00 0.00 O ATOM 820 CB PRO A1120 4.074 17.973 -7.320 1.00 0.00 C ATOM 821 CG PRO A1120 4.993 17.466 -8.377 1.00 0.00 C ATOM 822 CD PRO A1120 5.888 16.461 -7.708 1.00 0.00 C ATOM 0 HA PRO A1120 3.799 17.114 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.119 18.285 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.496 18.841 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.433 17.007 -9.192 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.576 18.280 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.153 15.648 -8.384 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.821 16.915 -7.375 1.00 0.00 H new ATOM 830 N VAL A1121 1.746 15.959 -5.648 1.00 0.00 N ATOM 831 CA VAL A1121 0.502 15.197 -5.733 1.00 0.00 C ATOM 832 C VAL A1121 -0.429 15.755 -6.812 1.00 0.00 C ATOM 833 O VAL A1121 -1.211 15.022 -7.411 1.00 0.00 O ATOM 834 CB VAL A1121 -0.227 15.199 -4.372 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.422 14.262 -4.385 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.728 14.819 -3.256 1.00 0.00 C ATOM 0 H VAL A1121 1.888 16.420 -4.749 1.00 0.00 H new ATOM 0 HA VAL A1121 0.766 14.175 -6.003 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.593 16.210 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.914 14.286 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.125 14.580 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.086 13.247 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.197 14.826 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.127 13.822 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.548 15.536 -3.219 1.00 0.00 H new ATOM 846 N SER A1122 -0.314 17.047 -7.075 1.00 0.00 N ATOM 847 CA SER A1122 -1.173 17.713 -8.048 1.00 0.00 C ATOM 848 C SER A1122 -0.845 17.284 -9.482 1.00 0.00 C ATOM 849 O SER A1122 -1.611 17.547 -10.410 1.00 0.00 O ATOM 850 CB SER A1122 -1.009 19.222 -7.905 1.00 0.00 C ATOM 851 OG SER A1122 -1.046 19.601 -6.541 1.00 0.00 O ATOM 0 H SER A1122 0.368 17.660 -6.628 1.00 0.00 H new ATOM 0 HA SER A1122 -2.206 17.426 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.064 19.534 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.802 19.733 -8.451 1.00 0.00 H new ATOM 0 HG SER A1122 -0.938 20.572 -6.468 1.00 0.00 H new ATOM 857 N PHE A1123 0.290 16.620 -9.659 1.00 0.00 N ATOM 858 CA PHE A1123 0.737 16.210 -10.986 1.00 0.00 C ATOM 859 C PHE A1123 0.432 14.738 -11.246 1.00 0.00 C ATOM 860 O PHE A1123 0.738 14.210 -12.320 1.00 0.00 O ATOM 861 CB PHE A1123 2.241 16.462 -11.141 1.00 0.00 C ATOM 862 CG PHE A1123 2.606 17.909 -11.348 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.377 18.852 -10.360 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.177 18.322 -12.539 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.712 20.178 -10.557 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.512 19.644 -12.744 1.00 0.00 C ATOM 867 CZ PHE A1123 3.281 20.575 -11.751 1.00 0.00 C ATOM 0 H PHE A1123 0.918 16.353 -8.901 1.00 0.00 H new ATOM 0 HA PHE A1123 0.192 16.806 -11.718 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.753 16.093 -10.252 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.610 15.881 -11.986 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.931 18.547 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.363 17.599 -13.319 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.529 20.903 -9.778 1.00 0.00 H new ATOM 0 HE2 PHE A1123 3.955 19.951 -13.680 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.544 21.611 -11.908 1.00 0.00 H new ATOM 877 N VAL A1124 -0.180 14.077 -10.274 1.00 0.00 N ATOM 878 CA VAL A1124 -0.417 12.644 -10.373 1.00 0.00 C ATOM 879 C VAL A1124 -1.892 12.299 -10.190 1.00 0.00 C ATOM 880 O VAL A1124 -2.648 13.043 -9.567 1.00 0.00 O ATOM 881 CB VAL A1124 0.425 11.858 -9.344 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.906 12.140 -9.535 1.00 0.00 C ATOM 883 CG2 VAL A1124 -0.004 12.182 -7.919 1.00 0.00 C ATOM 0 H VAL A1124 -0.519 14.506 -9.413 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.113 12.351 -11.378 1.00 0.00 H new ATOM 0 HB VAL A1124 0.252 10.795 -9.512 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.481 11.577 -8.800 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.207 11.840 -10.539 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.093 13.206 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.606 11.614 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.127 13.248 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.053 11.916 -7.785 1.00 0.00 H new ATOM 893 N HIS A1125 -2.291 11.173 -10.762 1.00 0.00 N ATOM 894 CA HIS A1125 -3.657 10.680 -10.661 1.00 0.00 C ATOM 895 C HIS A1125 -3.668 9.411 -9.817 1.00 0.00 C ATOM 896 O HIS A1125 -3.271 8.345 -10.284 1.00 0.00 O ATOM 897 CB HIS A1125 -4.189 10.390 -12.061 1.00 0.00 C ATOM 898 CG HIS A1125 -5.610 10.790 -12.283 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.031 12.099 -12.272 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.696 10.051 -12.592 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.310 12.148 -12.574 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.745 10.918 -12.775 1.00 0.00 N ATOM 0 H HIS A1125 -1.675 10.573 -11.311 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.293 11.428 -10.187 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.562 10.907 -12.788 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.091 9.322 -12.258 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.733 8.975 -12.679 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.906 13.046 -12.646 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.699 10.656 -13.024 1.00 0.00 H new ATOM 911 N ILE A1126 -4.113 9.529 -8.584 1.00 0.00 N ATOM 912 CA ILE A1126 -3.976 8.448 -7.612 1.00 0.00 C ATOM 913 C ILE A1126 -4.937 7.302 -7.909 1.00 0.00 C ATOM 914 O ILE A1126 -6.096 7.521 -8.267 1.00 0.00 O ATOM 915 CB ILE A1126 -4.224 8.973 -6.185 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.422 10.256 -5.959 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.858 7.918 -5.148 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.604 10.851 -4.587 1.00 0.00 C ATOM 0 H ILE A1126 -4.576 10.363 -8.223 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.957 8.069 -7.688 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.285 9.196 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.364 10.045 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.715 10.993 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.041 8.312 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.466 7.027 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.804 7.660 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.005 11.758 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.655 11.095 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.284 10.132 -3.833 1.00 0.00 H new ATOM 930 N LEU A1127 -4.436 6.078 -7.764 1.00 0.00 N ATOM 931 CA LEU A1127 -5.218 4.885 -8.062 1.00 0.00 C ATOM 932 C LEU A1127 -5.878 4.335 -6.802 1.00 0.00 C ATOM 933 O LEU A1127 -6.899 3.649 -6.871 1.00 0.00 O ATOM 934 CB LEU A1127 -4.326 3.789 -8.661 1.00 0.00 C ATOM 935 CG LEU A1127 -3.277 4.256 -9.670 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.458 3.073 -10.158 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.929 4.970 -10.844 1.00 0.00 C ATOM 0 H LEU A1127 -3.488 5.888 -7.440 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.986 5.172 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.815 3.278 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.966 3.052 -9.147 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.614 4.963 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.714 3.417 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.956 2.604 -9.312 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -3.116 2.348 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.160 5.292 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.618 4.291 -11.346 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.477 5.840 -10.482 1.00 0.00 H new ATOM 949 N SER A1128 -5.264 4.641 -5.655 1.00 0.00 N ATOM 950 CA SER A1128 -5.647 4.051 -4.370 1.00 0.00 C ATOM 951 C SER A1128 -5.464 2.536 -4.413 1.00 0.00 C ATOM 952 O SER A1128 -6.044 1.794 -3.621 1.00 0.00 O ATOM 953 CB SER A1128 -7.090 4.412 -4.005 1.00 0.00 C ATOM 954 OG SER A1128 -7.258 5.818 -3.918 1.00 0.00 O ATOM 0 H SER A1128 -4.490 5.302 -5.592 1.00 0.00 H new ATOM 0 HA SER A1128 -4.997 4.461 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A1128 -7.770 4.007 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A1128 -7.354 3.951 -3.053 1.00 0.00 H new ATOM 0 HG SER A1128 -8.188 6.023 -3.686 1.00 0.00 H new ATOM 960 N ASP A1129 -4.626 2.101 -5.342 1.00 0.00 N ATOM 961 CA ASP A1129 -4.400 0.690 -5.601 1.00 0.00 C ATOM 962 C ASP A1129 -2.918 0.393 -5.516 1.00 0.00 C ATOM 963 O ASP A1129 -2.547 -0.699 -5.047 1.00 0.00 O ATOM 964 CB ASP A1129 -4.927 0.319 -6.988 1.00 0.00 C ATOM 965 CG ASP A1129 -4.618 -1.115 -7.366 1.00 0.00 C ATOM 966 OD1 ASP A1129 -5.303 -2.026 -6.859 1.00 0.00 O ATOM 967 OD2 ASP A1129 -3.704 -1.339 -8.188 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.127 1.278 -5.902 1.00 0.00 O ATOM 0 H ASP A1129 -4.081 2.722 -5.940 1.00 0.00 H new ATOM 0 HA ASP A1129 -4.931 0.099 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -6.006 0.473 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -4.490 0.988 -7.729 1.00 0.00 H new TER 973 ASP A1129