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+ -161:sc= 1.21 (180deg=0.979) USER MOD Single : A1074 THR OG1 : rot 153:sc= 1.82 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -103:sc= 0.501 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A1082 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A1087 THR OG1 : rot -123:sc= -0.0479 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-4.4!) USER MOD Single : A1112 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.77) USER MOD Single : A1116 LYS NZ :NH3+ 143:sc= -1.7! (180deg=-3.88!) USER MOD Single : A1122 SER OG : rot 180:sc= 0.024 USER MOD Single : A1125 HIS : no HD1:sc= -0.0248 K(o=-0.025,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.666 2.146 -2.565 1.00 0.00 N ATOM 20 CA ARG A1070 -1.056 3.369 -3.242 1.00 0.00 C ATOM 21 C ARG A1070 -0.092 3.676 -4.379 1.00 0.00 C ATOM 22 O ARG A1070 1.117 3.775 -4.173 1.00 0.00 O ATOM 23 CB ARG A1070 -1.073 4.539 -2.259 1.00 0.00 C ATOM 24 CG ARG A1070 -1.961 5.690 -2.701 1.00 0.00 C ATOM 25 CD ARG A1070 -1.657 6.967 -1.935 1.00 0.00 C ATOM 26 NE ARG A1070 -1.527 6.741 -0.495 1.00 0.00 N ATOM 27 CZ ARG A1070 -2.142 7.471 0.434 1.00 0.00 C ATOM 28 NH1 ARG A1070 -3.028 8.397 0.080 1.00 0.00 N ATOM 29 NH2 ARG A1070 -1.894 7.249 1.718 1.00 0.00 N ATOM 0 HA ARG A1070 -2.057 3.229 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.412 4.181 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.055 4.906 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.824 5.865 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -3.007 5.419 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.734 7.404 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.450 7.692 -2.115 1.00 0.00 H new ATOM 0 HE ARG A1070 -0.928 5.977 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -3.239 8.550 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -3.497 8.954 0.795 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -1.234 6.521 1.992 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.363 7.806 2.432 1.00 0.00 H new ATOM 43 N ARG A1071 -0.629 3.833 -5.575 1.00 0.00 N ATOM 44 CA ARG A1071 0.170 4.177 -6.735 1.00 0.00 C ATOM 45 C ARG A1071 -0.439 5.400 -7.390 1.00 0.00 C ATOM 46 O ARG A1071 -1.612 5.694 -7.177 1.00 0.00 O ATOM 47 CB ARG A1071 0.218 3.017 -7.731 1.00 0.00 C ATOM 48 CG ARG A1071 0.663 1.699 -7.110 1.00 0.00 C ATOM 49 CD ARG A1071 0.783 0.592 -8.148 1.00 0.00 C ATOM 50 NE ARG A1071 -0.391 0.517 -9.015 1.00 0.00 N ATOM 51 CZ ARG A1071 -1.587 0.066 -8.640 1.00 0.00 C ATOM 52 NH1 ARG A1071 -1.773 -0.441 -7.427 1.00 0.00 N ATOM 53 NH2 ARG A1071 -2.596 0.090 -9.494 1.00 0.00 N ATOM 0 H ARG A1071 -1.625 3.726 -5.768 1.00 0.00 H new ATOM 0 HA ARG A1071 1.193 4.386 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.770 2.886 -8.172 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.898 3.274 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.624 1.838 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A1071 -0.051 1.400 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.671 0.762 -8.756 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.921 -0.364 -7.643 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.287 0.834 -9.979 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -0.995 -0.489 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -2.694 -0.783 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.457 0.453 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -3.513 -0.255 -9.210 1.00 0.00 H new ATOM 67 N VAL A1072 0.348 6.122 -8.160 1.00 0.00 N ATOM 68 CA VAL A1072 -0.135 7.319 -8.822 1.00 0.00 C ATOM 69 C VAL A1072 0.288 7.323 -10.289 1.00 0.00 C ATOM 70 O VAL A1072 1.354 6.810 -10.641 1.00 0.00 O ATOM 71 CB VAL A1072 0.370 8.602 -8.125 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.114 8.659 -6.684 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.884 8.691 -8.177 1.00 0.00 C ATOM 0 H VAL A1072 1.327 5.902 -8.344 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.223 7.310 -8.760 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.040 9.457 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.253 9.571 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.204 8.655 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.261 7.792 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.212 9.603 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.317 7.827 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.212 8.707 -9.216 1.00 0.00 H new ATOM 83 N LYS A1073 -0.564 7.877 -11.130 1.00 0.00 N ATOM 84 CA LYS A1073 -0.319 7.954 -12.560 1.00 0.00 C ATOM 85 C LYS A1073 -0.071 9.399 -12.947 1.00 0.00 C ATOM 86 O LYS A1073 -1.008 10.180 -13.062 1.00 0.00 O ATOM 87 CB LYS A1073 -1.534 7.413 -13.322 1.00 0.00 C ATOM 88 CG LYS A1073 -1.204 6.876 -14.696 1.00 0.00 C ATOM 89 CD LYS A1073 -0.137 5.811 -14.590 1.00 0.00 C ATOM 90 CE LYS A1073 -0.100 4.908 -15.815 1.00 0.00 C ATOM 91 NZ LYS A1073 0.332 5.622 -17.044 1.00 0.00 N ATOM 0 H LYS A1073 -1.451 8.289 -10.840 1.00 0.00 H new ATOM 0 HA LYS A1073 0.555 7.355 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.996 6.620 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.273 8.208 -13.421 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.100 6.461 -15.158 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.859 7.686 -15.339 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.836 6.286 -14.461 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.317 5.207 -13.701 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.578 4.076 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.090 4.482 -15.977 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.040 5.079 -17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -0.108 6.564 -17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 1.367 5.724 -17.041 1.00 0.00 H new ATOM 105 N THR A1074 1.186 9.753 -13.121 1.00 0.00 N ATOM 106 CA THR A1074 1.567 11.136 -13.378 1.00 0.00 C ATOM 107 C THR A1074 0.806 11.723 -14.567 1.00 0.00 C ATOM 108 O THR A1074 0.801 11.164 -15.664 1.00 0.00 O ATOM 109 CB THR A1074 3.080 11.247 -13.625 1.00 0.00 C ATOM 110 OG1 THR A1074 3.441 10.488 -14.780 1.00 0.00 O ATOM 111 CG2 THR A1074 3.855 10.731 -12.425 1.00 0.00 C ATOM 0 H THR A1074 1.969 9.101 -13.090 1.00 0.00 H new ATOM 0 HA THR A1074 1.305 11.710 -12.490 1.00 0.00 H new ATOM 0 HB THR A1074 3.326 12.297 -13.783 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.243 10.876 -15.189 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.924 10.817 -12.618 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.596 11.319 -11.545 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.601 9.685 -12.250 1.00 0.00 H new ATOM 119 N ILE A1075 0.140 12.843 -14.329 1.00 0.00 N ATOM 120 CA ILE A1075 -0.634 13.514 -15.364 1.00 0.00 C ATOM 121 C ILE A1075 0.069 14.800 -15.796 1.00 0.00 C ATOM 122 O ILE A1075 -0.416 15.536 -16.657 1.00 0.00 O ATOM 123 CB ILE A1075 -2.075 13.820 -14.882 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.054 14.337 -13.439 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.959 12.582 -15.009 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.423 14.479 -12.811 1.00 0.00 C ATOM 0 H ILE A1075 0.120 13.309 -13.422 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.706 12.844 -16.221 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.498 14.599 -15.517 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.456 13.658 -12.831 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.555 15.306 -13.419 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.966 12.817 -14.666 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.996 12.266 -16.052 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.547 11.777 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.319 14.850 -11.791 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.019 15.181 -13.393 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.919 13.508 -12.795 1.00 0.00 H new ATOM 138 N TYR A1076 1.231 15.048 -15.196 1.00 0.00 N ATOM 139 CA TYR A1076 2.052 16.207 -15.526 1.00 0.00 C ATOM 140 C TYR A1076 3.506 15.788 -15.689 1.00 0.00 C ATOM 141 O TYR A1076 3.942 14.791 -15.113 1.00 0.00 O ATOM 142 CB TYR A1076 1.979 17.267 -14.422 1.00 0.00 C ATOM 143 CG TYR A1076 0.671 18.009 -14.328 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.403 17.474 -13.636 1.00 0.00 C ATOM 145 CD2 TYR A1076 0.520 19.259 -14.909 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.596 18.156 -13.530 1.00 0.00 C ATOM 147 CE2 TYR A1076 -0.668 19.955 -14.804 1.00 0.00 C ATOM 148 CZ TYR A1076 -1.724 19.397 -14.113 1.00 0.00 C ATOM 149 OH TYR A1076 -2.909 20.086 -13.989 1.00 0.00 O ATOM 0 H TYR A1076 1.628 14.452 -14.470 1.00 0.00 H new ATOM 0 HA TYR A1076 1.670 16.626 -16.457 1.00 0.00 H new ATOM 0 HB2 TYR A1076 2.174 16.784 -13.464 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.778 17.991 -14.583 1.00 0.00 H new ATOM 0 HD1 TYR A1076 -0.304 16.504 -13.171 1.00 0.00 H new ATOM 0 HD2 TYR A1076 1.345 19.695 -15.452 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.425 17.720 -12.993 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -0.770 20.929 -15.259 1.00 0.00 H new ATOM 0 HH TYR A1076 -2.838 20.945 -14.455 1.00 0.00 H new ATOM 159 N ASP A1077 4.235 16.544 -16.492 1.00 0.00 N ATOM 160 CA ASP A1077 5.679 16.387 -16.608 1.00 0.00 C ATOM 161 C ASP A1077 6.383 17.106 -15.459 1.00 0.00 C ATOM 162 O ASP A1077 6.097 18.274 -15.182 1.00 0.00 O ATOM 163 CB ASP A1077 6.162 16.960 -17.942 1.00 0.00 C ATOM 164 CG ASP A1077 7.673 16.925 -18.084 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.348 17.848 -17.581 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.193 15.982 -18.715 1.00 0.00 O ATOM 0 H ASP A1077 3.847 17.281 -17.080 1.00 0.00 H new ATOM 0 HA ASP A1077 5.918 15.324 -16.563 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.712 16.396 -18.759 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.816 17.989 -18.037 1.00 0.00 H new ATOM 171 N CYS A1078 7.295 16.411 -14.794 1.00 0.00 N ATOM 172 CA CYS A1078 8.057 16.994 -13.696 1.00 0.00 C ATOM 173 C CYS A1078 9.545 16.718 -13.877 1.00 0.00 C ATOM 174 O CYS A1078 9.975 15.564 -13.891 1.00 0.00 O ATOM 175 CB CYS A1078 7.589 16.434 -12.357 1.00 0.00 C ATOM 176 SG CYS A1078 8.501 17.054 -10.921 1.00 0.00 S ATOM 0 H CYS A1078 7.527 15.438 -14.996 1.00 0.00 H new ATOM 0 HA CYS A1078 7.890 18.071 -13.703 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.532 16.669 -12.229 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.673 15.348 -12.383 1.00 0.00 H new ATOM 0 HG CYS A1078 9.343 16.149 -10.518 1.00 0.00 H new ATOM 182 N GLN A1079 10.328 17.775 -14.027 1.00 0.00 N ATOM 183 CA GLN A1079 11.772 17.641 -14.137 1.00 0.00 C ATOM 184 C GLN A1079 12.447 18.182 -12.881 1.00 0.00 C ATOM 185 O GLN A1079 12.620 19.391 -12.714 1.00 0.00 O ATOM 186 CB GLN A1079 12.296 18.336 -15.400 1.00 0.00 C ATOM 187 CG GLN A1079 11.823 19.773 -15.574 1.00 0.00 C ATOM 188 CD GLN A1079 12.322 20.398 -16.864 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.526 19.708 -17.864 1.00 0.00 O ATOM 190 NE2 GLN A1079 12.528 21.705 -16.854 1.00 0.00 N ATOM 0 H GLN A1079 9.988 18.735 -14.075 1.00 0.00 H new ATOM 0 HA GLN A1079 12.017 16.583 -14.226 1.00 0.00 H new ATOM 0 HB2 GLN A1079 13.386 18.326 -15.379 1.00 0.00 H new ATOM 0 HB3 GLN A1079 11.988 17.758 -16.271 1.00 0.00 H new ATOM 0 HG2 GLN A1079 10.733 19.797 -15.560 1.00 0.00 H new ATOM 0 HG3 GLN A1079 12.166 20.370 -14.729 1.00 0.00 H new ATOM 0 HE21 GLN A1079 12.348 22.243 -16.007 1.00 0.00 H new ATOM 0 HE22 GLN A1079 12.867 22.174 -17.694 1.00 0.00 H new ATOM 199 N ALA A1080 12.803 17.265 -11.997 1.00 0.00 N ATOM 200 CA ALA A1080 13.379 17.604 -10.702 1.00 0.00 C ATOM 201 C ALA A1080 14.720 18.313 -10.842 1.00 0.00 C ATOM 202 O ALA A1080 15.528 17.983 -11.718 1.00 0.00 O ATOM 203 CB ALA A1080 13.555 16.345 -9.874 1.00 0.00 C ATOM 0 H ALA A1080 12.702 16.262 -12.155 1.00 0.00 H new ATOM 0 HA ALA A1080 12.691 18.287 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.986 16.603 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.586 15.870 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.220 15.657 -10.395 1.00 0.00 H new ATOM 209 N ASP A1081 14.945 19.293 -9.975 1.00 0.00 N ATOM 210 CA ASP A1081 16.220 19.995 -9.916 1.00 0.00 C ATOM 211 C ASP A1081 17.098 19.360 -8.849 1.00 0.00 C ATOM 212 O ASP A1081 18.321 19.292 -8.986 1.00 0.00 O ATOM 213 CB ASP A1081 16.003 21.479 -9.600 1.00 0.00 C ATOM 214 CG ASP A1081 17.280 22.289 -9.701 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.653 22.669 -10.834 1.00 0.00 O ATOM 216 OD2 ASP A1081 17.909 22.566 -8.655 1.00 0.00 O ATOM 0 H ASP A1081 14.255 19.621 -9.299 1.00 0.00 H new ATOM 0 HA ASP A1081 16.711 19.918 -10.886 1.00 0.00 H new ATOM 0 HB2 ASP A1081 15.262 21.888 -10.287 1.00 0.00 H new ATOM 0 HB3 ASP A1081 15.594 21.577 -8.594 1.00 0.00 H new ATOM 221 N ASN A1082 16.453 18.889 -7.791 1.00 0.00 N ATOM 222 CA ASN A1082 17.141 18.233 -6.687 1.00 0.00 C ATOM 223 C ASN A1082 16.836 16.743 -6.716 1.00 0.00 C ATOM 224 O ASN A1082 15.761 16.334 -7.154 1.00 0.00 O ATOM 225 CB ASN A1082 16.677 18.819 -5.349 1.00 0.00 C ATOM 226 CG ASN A1082 16.858 20.324 -5.264 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.894 20.815 -4.813 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.846 21.066 -5.685 1.00 0.00 N ATOM 0 H ASN A1082 15.442 18.950 -7.673 1.00 0.00 H new ATOM 0 HA ASN A1082 18.214 18.395 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.625 18.576 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A1082 17.233 18.346 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.907 22.083 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A1082 15.005 20.621 -6.052 1.00 0.00 H new ATOM 235 N ASP A1083 17.774 15.932 -6.238 1.00 0.00 N ATOM 236 CA ASP A1083 17.591 14.482 -6.211 1.00 0.00 C ATOM 237 C ASP A1083 16.642 14.077 -5.094 1.00 0.00 C ATOM 238 O ASP A1083 16.248 12.918 -4.985 1.00 0.00 O ATOM 239 CB ASP A1083 18.928 13.756 -6.055 1.00 0.00 C ATOM 240 CG ASP A1083 19.730 13.742 -7.338 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.567 12.794 -8.137 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.529 14.677 -7.553 1.00 0.00 O ATOM 0 H ASP A1083 18.668 16.252 -5.864 1.00 0.00 H new ATOM 0 HA ASP A1083 17.153 14.189 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.511 14.239 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A1083 18.746 12.731 -5.732 1.00 0.00 H new ATOM 247 N ASP A1084 16.290 15.042 -4.253 1.00 0.00 N ATOM 248 CA ASP A1084 15.251 14.838 -3.251 1.00 0.00 C ATOM 249 C ASP A1084 13.900 14.770 -3.941 1.00 0.00 C ATOM 250 O ASP A1084 12.932 14.229 -3.409 1.00 0.00 O ATOM 251 CB ASP A1084 15.238 15.979 -2.230 1.00 0.00 C ATOM 252 CG ASP A1084 16.555 16.141 -1.504 1.00 0.00 C ATOM 253 OD1 ASP A1084 16.813 15.381 -0.549 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.330 17.045 -1.874 1.00 0.00 O ATOM 0 H ASP A1084 16.708 15.972 -4.245 1.00 0.00 H new ATOM 0 HA ASP A1084 15.457 13.906 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A1084 14.994 16.911 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.448 15.797 -1.501 1.00 0.00 H new ATOM 259 N GLU A1085 13.858 15.326 -5.142 1.00 0.00 N ATOM 260 CA GLU A1085 12.649 15.391 -5.937 1.00 0.00 C ATOM 261 C GLU A1085 12.707 14.333 -7.027 1.00 0.00 C ATOM 262 O GLU A1085 13.777 13.798 -7.321 1.00 0.00 O ATOM 263 CB GLU A1085 12.518 16.787 -6.548 1.00 0.00 C ATOM 264 CG GLU A1085 12.681 17.899 -5.526 1.00 0.00 C ATOM 265 CD GLU A1085 12.782 19.268 -6.160 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.791 19.540 -6.847 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.859 20.084 -5.971 1.00 0.00 O ATOM 0 H GLU A1085 14.670 15.747 -5.593 1.00 0.00 H new ATOM 0 HA GLU A1085 11.778 15.201 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.267 16.907 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.542 16.879 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.834 17.883 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.576 17.712 -4.932 1.00 0.00 H new ATOM 274 N LEU A1086 11.569 14.024 -7.616 1.00 0.00 N ATOM 275 CA LEU A1086 11.517 12.992 -8.639 1.00 0.00 C ATOM 276 C LEU A1086 11.263 13.575 -10.024 1.00 0.00 C ATOM 277 O LEU A1086 10.510 14.541 -10.187 1.00 0.00 O ATOM 278 CB LEU A1086 10.442 11.952 -8.312 1.00 0.00 C ATOM 279 CG LEU A1086 10.285 10.843 -9.358 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.580 10.065 -9.514 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.152 9.907 -8.992 1.00 0.00 C ATOM 0 H LEU A1086 10.674 14.467 -7.408 1.00 0.00 H new ATOM 0 HA LEU A1086 12.494 12.508 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.678 11.495 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.486 12.462 -8.197 1.00 0.00 H new ATOM 0 HG LEU A1086 10.045 11.315 -10.311 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.447 9.283 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.374 10.740 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.850 9.613 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.063 9.130 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.357 9.448 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.220 10.469 -8.936 1.00 0.00 H new ATOM 293 N THR A1087 11.891 12.965 -11.017 1.00 0.00 N ATOM 294 CA THR A1087 11.699 13.340 -12.403 1.00 0.00 C ATOM 295 C THR A1087 10.857 12.288 -13.113 1.00 0.00 C ATOM 296 O THR A1087 11.115 11.087 -13.005 1.00 0.00 O ATOM 297 CB THR A1087 13.047 13.510 -13.128 1.00 0.00 C ATOM 298 OG1 THR A1087 13.835 14.495 -12.448 1.00 0.00 O ATOM 299 CG2 THR A1087 12.847 13.927 -14.580 1.00 0.00 C ATOM 0 H THR A1087 12.548 12.196 -10.881 1.00 0.00 H new ATOM 0 HA THR A1087 11.180 14.298 -12.426 1.00 0.00 H new ATOM 0 HB THR A1087 13.563 12.550 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.077 15.210 -13.074 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.818 14.039 -15.064 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.267 13.165 -15.101 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.313 14.876 -14.616 1.00 0.00 H new ATOM 307 N PHE A1088 9.849 12.751 -13.823 1.00 0.00 N ATOM 308 CA PHE A1088 8.919 11.881 -14.519 1.00 0.00 C ATOM 309 C PHE A1088 8.174 12.669 -15.590 1.00 0.00 C ATOM 310 O PHE A1088 8.152 13.900 -15.561 1.00 0.00 O ATOM 311 CB PHE A1088 7.918 11.261 -13.530 1.00 0.00 C ATOM 312 CG PHE A1088 7.162 12.269 -12.705 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.112 12.992 -13.253 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.501 12.492 -11.380 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.422 13.919 -12.499 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.812 13.416 -10.622 1.00 0.00 C ATOM 317 CZ PHE A1088 5.771 14.132 -11.182 1.00 0.00 C ATOM 0 H PHE A1088 9.650 13.745 -13.935 1.00 0.00 H new ATOM 0 HA PHE A1088 9.482 11.077 -14.993 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.204 10.654 -14.086 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.455 10.589 -12.860 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.831 12.827 -14.283 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.314 11.936 -10.936 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.609 14.477 -12.940 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.086 13.580 -9.590 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.232 14.857 -10.590 1.00 0.00 H new ATOM 327 N ILE A1089 7.572 11.963 -16.529 1.00 0.00 N ATOM 328 CA ILE A1089 6.716 12.592 -17.522 1.00 0.00 C ATOM 329 C ILE A1089 5.308 12.033 -17.384 1.00 0.00 C ATOM 330 O ILE A1089 5.111 11.045 -16.675 1.00 0.00 O ATOM 331 CB ILE A1089 7.222 12.390 -18.978 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.997 10.950 -19.473 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.695 12.764 -19.085 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.854 9.902 -18.792 1.00 0.00 C ATOM 0 H ILE A1089 7.659 10.951 -16.626 1.00 0.00 H new ATOM 0 HA ILE A1089 6.729 13.666 -17.334 1.00 0.00 H new ATOM 0 HB ILE A1089 6.639 13.050 -19.620 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.948 10.691 -19.329 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.189 10.915 -20.545 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.034 12.617 -20.110 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.826 13.809 -18.806 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.280 12.133 -18.415 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.626 8.920 -19.206 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.907 10.130 -18.957 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.647 9.902 -17.722 1.00 0.00 H new ATOM 346 N GLU A1090 4.338 12.665 -18.032 1.00 0.00 N ATOM 347 CA GLU A1090 2.953 12.205 -17.973 1.00 0.00 C ATOM 348 C GLU A1090 2.856 10.748 -18.419 1.00 0.00 C ATOM 349 O GLU A1090 3.195 10.413 -19.555 1.00 0.00 O ATOM 350 CB GLU A1090 2.036 13.066 -18.855 1.00 0.00 C ATOM 351 CG GLU A1090 2.351 14.554 -18.831 1.00 0.00 C ATOM 352 CD GLU A1090 3.337 14.955 -19.910 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.524 14.592 -19.807 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.923 15.615 -20.884 1.00 0.00 O ATOM 0 H GLU A1090 4.482 13.497 -18.604 1.00 0.00 H new ATOM 0 HA GLU A1090 2.624 12.295 -16.938 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.103 12.710 -19.883 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.004 12.921 -18.534 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.428 15.120 -18.958 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.757 14.821 -17.855 1.00 0.00 H new ATOM 361 N GLY A1091 2.409 9.887 -17.522 1.00 0.00 N ATOM 362 CA GLY A1091 2.251 8.488 -17.860 1.00 0.00 C ATOM 363 C GLY A1091 3.097 7.572 -17.001 1.00 0.00 C ATOM 364 O GLY A1091 2.991 6.351 -17.105 1.00 0.00 O ATOM 0 H GLY A1091 2.152 10.130 -16.565 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.202 8.211 -17.754 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.515 8.341 -18.907 1.00 0.00 H new ATOM 368 N GLU A1092 3.918 8.151 -16.140 1.00 0.00 N ATOM 369 CA GLU A1092 4.757 7.372 -15.244 1.00 0.00 C ATOM 370 C GLU A1092 3.950 6.864 -14.062 1.00 0.00 C ATOM 371 O GLU A1092 3.115 7.585 -13.509 1.00 0.00 O ATOM 372 CB GLU A1092 5.928 8.213 -14.735 1.00 0.00 C ATOM 373 CG GLU A1092 6.995 8.478 -15.780 1.00 0.00 C ATOM 374 CD GLU A1092 7.767 7.232 -16.156 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.268 6.441 -16.981 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.880 7.035 -15.627 1.00 0.00 O ATOM 0 H GLU A1092 4.021 9.161 -16.043 1.00 0.00 H new ATOM 0 HA GLU A1092 5.145 6.521 -15.804 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.546 9.166 -14.370 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.384 7.706 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.528 8.894 -16.673 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.688 9.230 -15.403 1.00 0.00 H new ATOM 383 N VAL A1093 4.186 5.621 -13.688 1.00 0.00 N ATOM 384 CA VAL A1093 3.589 5.070 -12.494 1.00 0.00 C ATOM 385 C VAL A1093 4.533 5.289 -11.328 1.00 0.00 C ATOM 386 O VAL A1093 5.709 4.947 -11.401 1.00 0.00 O ATOM 387 CB VAL A1093 3.317 3.565 -12.635 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.575 3.031 -11.422 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.550 3.269 -13.912 1.00 0.00 C ATOM 0 H VAL A1093 4.789 4.975 -14.197 1.00 0.00 H new ATOM 0 HA VAL A1093 2.637 5.573 -12.328 1.00 0.00 H new ATOM 0 HB VAL A1093 4.278 3.055 -12.693 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.395 1.963 -11.547 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.175 3.196 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.622 3.550 -11.321 1.00 0.00 H new ATOM 0 HG21 VAL A1093 2.370 2.197 -13.988 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.596 3.797 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A1093 3.132 3.601 -14.771 1.00 0.00 H new ATOM 399 N ILE A1094 4.031 5.880 -10.272 1.00 0.00 N ATOM 400 CA ILE A1094 4.820 6.065 -9.071 1.00 0.00 C ATOM 401 C ILE A1094 4.153 5.355 -7.916 1.00 0.00 C ATOM 402 O ILE A1094 2.961 5.527 -7.677 1.00 0.00 O ATOM 403 CB ILE A1094 4.998 7.548 -8.698 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.573 8.344 -9.865 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.900 7.680 -7.479 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.762 9.809 -9.546 1.00 0.00 C ATOM 0 H ILE A1094 3.079 6.243 -10.216 1.00 0.00 H new ATOM 0 HA ILE A1094 5.808 5.650 -9.273 1.00 0.00 H new ATOM 0 HB ILE A1094 4.016 7.956 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.532 7.914 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.910 8.248 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.018 8.734 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.453 7.152 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.876 7.249 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.174 10.321 -10.416 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.800 10.252 -9.286 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.448 9.913 -8.706 1.00 0.00 H new ATOM 418 N ILE A1095 4.907 4.547 -7.210 1.00 0.00 N ATOM 419 CA ILE A1095 4.380 3.886 -6.038 1.00 0.00 C ATOM 420 C ILE A1095 4.685 4.719 -4.810 1.00 0.00 C ATOM 421 O ILE A1095 5.848 5.014 -4.521 1.00 0.00 O ATOM 422 CB ILE A1095 4.944 2.464 -5.872 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.593 1.627 -7.106 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.401 1.817 -4.600 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.952 0.167 -6.980 1.00 0.00 C ATOM 0 H ILE A1095 5.881 4.332 -7.423 1.00 0.00 H new ATOM 0 HA ILE A1095 3.301 3.790 -6.162 1.00 0.00 H new ATOM 0 HB ILE A1095 6.029 2.516 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.523 1.712 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.106 2.043 -7.973 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.811 0.812 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.690 2.415 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.314 1.762 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.672 -0.357 -7.894 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.026 0.069 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.418 -0.267 -6.135 1.00 0.00 H new ATOM 437 N VAL A1096 3.628 5.119 -4.122 1.00 0.00 N ATOM 438 CA VAL A1096 3.742 5.948 -2.937 1.00 0.00 C ATOM 439 C VAL A1096 4.365 5.159 -1.795 1.00 0.00 C ATOM 440 O VAL A1096 3.770 4.213 -1.270 1.00 0.00 O ATOM 441 CB VAL A1096 2.363 6.488 -2.508 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.475 7.320 -1.238 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.739 7.303 -3.629 1.00 0.00 C ATOM 0 H VAL A1096 2.669 4.878 -4.370 1.00 0.00 H new ATOM 0 HA VAL A1096 4.386 6.793 -3.179 1.00 0.00 H new ATOM 0 HB VAL A1096 1.715 5.637 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.489 7.689 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.875 6.703 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.142 8.164 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.766 7.676 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.388 8.144 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.614 6.674 -4.510 1.00 0.00 H new ATOM 453 N THR A1097 5.575 5.546 -1.428 1.00 0.00 N ATOM 454 CA THR A1097 6.316 4.850 -0.398 1.00 0.00 C ATOM 455 C THR A1097 6.391 5.695 0.874 1.00 0.00 C ATOM 456 O THR A1097 6.668 5.181 1.959 1.00 0.00 O ATOM 457 CB THR A1097 7.739 4.494 -0.890 1.00 0.00 C ATOM 458 OG1 THR A1097 8.441 5.684 -1.277 1.00 0.00 O ATOM 459 CG2 THR A1097 7.681 3.537 -2.078 1.00 0.00 C ATOM 0 H THR A1097 6.065 6.344 -1.833 1.00 0.00 H new ATOM 0 HA THR A1097 5.789 3.923 -0.170 1.00 0.00 H new ATOM 0 HB THR A1097 8.266 4.007 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.341 5.447 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.694 3.302 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.173 2.619 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.135 4.006 -2.896 1.00 0.00 H new ATOM 467 N GLY A1098 6.123 6.989 0.732 1.00 0.00 N ATOM 468 CA GLY A1098 6.146 7.890 1.866 1.00 0.00 C ATOM 469 C GLY A1098 5.384 9.172 1.584 1.00 0.00 C ATOM 470 O GLY A1098 4.899 9.377 0.474 1.00 0.00 O ATOM 0 H GLY A1098 5.889 7.431 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.712 7.393 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.179 8.129 2.119 1.00 0.00 H new ATOM 474 N GLU A1099 5.288 10.040 2.582 1.00 0.00 N ATOM 475 CA GLU A1099 4.546 11.295 2.461 1.00 0.00 C ATOM 476 C GLU A1099 5.217 12.383 3.288 1.00 0.00 C ATOM 477 O GLU A1099 5.552 12.160 4.450 1.00 0.00 O ATOM 478 CB GLU A1099 3.104 11.103 2.944 1.00 0.00 C ATOM 479 CG GLU A1099 2.249 10.274 2.004 1.00 0.00 C ATOM 480 CD GLU A1099 0.946 9.843 2.635 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.084 10.712 2.887 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.790 8.634 2.910 1.00 0.00 O ATOM 0 H GLU A1099 5.719 9.898 3.496 1.00 0.00 H new ATOM 0 HA GLU A1099 4.538 11.594 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.119 10.625 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.641 12.081 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.039 10.852 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.808 9.391 1.693 1.00 0.00 H new ATOM 489 N GLU A1100 5.422 13.551 2.689 1.00 0.00 N ATOM 490 CA GLU A1100 6.033 14.670 3.402 1.00 0.00 C ATOM 491 C GLU A1100 4.992 15.725 3.736 1.00 0.00 C ATOM 492 O GLU A1100 4.902 16.193 4.870 1.00 0.00 O ATOM 493 CB GLU A1100 7.146 15.329 2.581 1.00 0.00 C ATOM 494 CG GLU A1100 8.325 14.425 2.295 1.00 0.00 C ATOM 495 CD GLU A1100 9.595 15.201 2.001 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.538 16.448 1.920 1.00 0.00 O ATOM 497 OE2 GLU A1100 10.662 14.569 1.864 1.00 0.00 O ATOM 0 H GLU A1100 5.177 13.748 1.719 1.00 0.00 H new ATOM 0 HA GLU A1100 6.462 14.262 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.729 15.673 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.500 16.212 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.493 13.771 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.090 13.784 1.445 1.00 0.00 H new ATOM 504 N ASP A1101 4.201 16.090 2.738 1.00 0.00 N ATOM 505 CA ASP A1101 3.273 17.201 2.867 1.00 0.00 C ATOM 506 C ASP A1101 1.918 16.833 2.262 1.00 0.00 C ATOM 507 O ASP A1101 1.720 15.689 1.849 1.00 0.00 O ATOM 508 CB ASP A1101 3.868 18.440 2.180 1.00 0.00 C ATOM 509 CG ASP A1101 3.115 19.719 2.483 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.229 20.227 3.618 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.399 20.215 1.589 1.00 0.00 O ATOM 0 H ASP A1101 4.184 15.631 1.827 1.00 0.00 H new ATOM 0 HA ASP A1101 3.115 17.426 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.906 18.556 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.876 18.279 1.102 1.00 0.00 H new ATOM 516 N GLN A1102 1.003 17.789 2.184 1.00 0.00 N ATOM 517 CA GLN A1102 -0.334 17.528 1.672 1.00 0.00 C ATOM 518 C GLN A1102 -0.284 17.279 0.171 1.00 0.00 C ATOM 519 O GLN A1102 -1.049 16.478 -0.364 1.00 0.00 O ATOM 520 CB GLN A1102 -1.271 18.704 1.988 1.00 0.00 C ATOM 521 CG GLN A1102 -0.759 20.049 1.493 1.00 0.00 C ATOM 522 CD GLN A1102 -1.677 21.200 1.853 1.00 0.00 C ATOM 523 OE1 GLN A1102 -1.552 21.797 2.922 1.00 0.00 O ATOM 524 NE2 GLN A1102 -2.593 21.535 0.959 1.00 0.00 N ATOM 0 H GLN A1102 1.163 18.755 2.470 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.724 16.636 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.246 18.510 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.420 18.757 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A1102 0.229 20.233 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.641 20.011 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -2.666 21.016 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -3.227 22.312 1.145 1.00 0.00 H new ATOM 533 N GLU A1103 0.640 17.950 -0.501 1.00 0.00 N ATOM 534 CA GLU A1103 0.768 17.812 -1.940 1.00 0.00 C ATOM 535 C GLU A1103 2.177 17.399 -2.338 1.00 0.00 C ATOM 536 O GLU A1103 2.578 17.560 -3.491 1.00 0.00 O ATOM 537 CB GLU A1103 0.355 19.102 -2.655 1.00 0.00 C ATOM 538 CG GLU A1103 0.763 20.376 -1.940 1.00 0.00 C ATOM 539 CD GLU A1103 0.044 21.583 -2.502 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.506 22.144 -3.516 1.00 0.00 O ATOM 541 OE2 GLU A1103 -1.009 21.958 -1.946 1.00 0.00 O ATOM 0 H GLU A1103 1.308 18.592 -0.074 1.00 0.00 H new ATOM 0 HA GLU A1103 0.090 17.018 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.792 19.105 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.728 19.102 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.544 20.283 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A1103 1.840 20.517 -2.032 1.00 0.00 H new ATOM 548 N TRP A1104 2.912 16.835 -1.391 1.00 0.00 N ATOM 549 CA TRP A1104 4.270 16.375 -1.647 1.00 0.00 C ATOM 550 C TRP A1104 4.504 15.029 -0.991 1.00 0.00 C ATOM 551 O TRP A1104 4.655 14.932 0.229 1.00 0.00 O ATOM 552 CB TRP A1104 5.288 17.408 -1.160 1.00 0.00 C ATOM 553 CG TRP A1104 5.259 18.647 -1.993 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.474 19.747 -1.805 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.025 18.893 -3.171 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.699 20.659 -2.802 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.658 20.163 -3.649 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.991 18.160 -3.863 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.225 20.717 -4.794 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.553 18.708 -4.996 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.171 19.977 -5.453 1.00 0.00 C ATOM 0 H TRP A1104 2.590 16.684 -0.435 1.00 0.00 H new ATOM 0 HA TRP A1104 4.401 16.256 -2.723 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.079 17.663 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.288 16.975 -1.187 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.778 19.879 -0.990 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.230 21.560 -2.899 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.292 17.182 -3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.930 21.693 -5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.300 18.150 -5.541 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.632 20.380 -6.343 1.00 0.00 H new ATOM 572 N TRP A1105 4.512 13.991 -1.807 1.00 0.00 N ATOM 573 CA TRP A1105 4.681 12.637 -1.311 1.00 0.00 C ATOM 574 C TRP A1105 6.004 12.064 -1.788 1.00 0.00 C ATOM 575 O TRP A1105 6.651 12.626 -2.666 1.00 0.00 O ATOM 576 CB TRP A1105 3.522 11.745 -1.773 1.00 0.00 C ATOM 577 CG TRP A1105 2.195 12.129 -1.185 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.961 13.089 -0.244 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.921 11.556 -1.495 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.627 13.150 0.051 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.037 12.220 -0.704 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.495 10.550 -2.365 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.393 11.907 -0.758 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.851 10.241 -2.416 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.780 10.917 -1.618 1.00 0.00 C ATOM 0 H TRP A1105 4.403 14.060 -2.819 1.00 0.00 H new ATOM 0 HA TRP A1105 4.682 12.667 -0.221 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.454 11.787 -2.860 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.742 10.711 -1.507 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.721 13.712 0.204 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.197 13.785 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.204 10.023 -2.986 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.112 12.427 -0.143 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.192 9.464 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.825 10.651 -1.683 1.00 0.00 H new ATOM 596 N ILE A1106 6.395 10.951 -1.200 1.00 0.00 N ATOM 597 CA ILE A1106 7.634 10.281 -1.548 1.00 0.00 C ATOM 598 C ILE A1106 7.313 8.936 -2.165 1.00 0.00 C ATOM 599 O ILE A1106 6.424 8.227 -1.694 1.00 0.00 O ATOM 600 CB ILE A1106 8.536 10.068 -0.314 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.942 11.412 0.283 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.778 9.260 -0.680 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.618 11.297 1.632 1.00 0.00 C ATOM 0 H ILE A1106 5.862 10.484 -0.466 1.00 0.00 H new ATOM 0 HA ILE A1106 8.172 10.912 -2.255 1.00 0.00 H new ATOM 0 HB ILE A1106 7.968 9.507 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.615 11.919 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.056 12.038 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.397 9.123 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.478 8.286 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.347 9.793 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.878 12.291 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.940 10.819 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.523 10.698 1.535 1.00 0.00 H new ATOM 615 N GLY A1107 8.001 8.593 -3.227 1.00 0.00 N ATOM 616 CA GLY A1107 7.749 7.331 -3.860 1.00 0.00 C ATOM 617 C GLY A1107 8.838 6.941 -4.811 1.00 0.00 C ATOM 618 O GLY A1107 9.912 7.539 -4.824 1.00 0.00 O ATOM 0 H GLY A1107 8.727 9.162 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.643 6.560 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.802 7.380 -4.397 1.00 0.00 H new ATOM 622 N HIS A1108 8.547 5.947 -5.617 1.00 0.00 N ATOM 623 CA HIS A1108 9.499 5.434 -6.583 1.00 0.00 C ATOM 624 C HIS A1108 8.769 5.118 -7.881 1.00 0.00 C ATOM 625 O HIS A1108 7.578 4.797 -7.858 1.00 0.00 O ATOM 626 CB HIS A1108 10.239 4.184 -6.039 1.00 0.00 C ATOM 627 CG HIS A1108 9.409 2.933 -5.853 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.442 2.168 -4.708 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.587 2.275 -6.702 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.682 1.099 -4.871 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.153 1.137 -6.074 1.00 0.00 N ATOM 0 H HIS A1108 7.646 5.469 -5.624 1.00 0.00 H new ATOM 0 HA HIS A1108 10.258 6.193 -6.772 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.059 3.951 -6.718 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.685 4.443 -5.079 1.00 0.00 H new ATOM 0 HD1 HIS A1108 9.971 2.392 -3.865 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.320 2.591 -7.700 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.522 0.323 -4.137 1.00 0.00 H new ATOM 640 N ILE A1109 9.460 5.224 -9.001 1.00 0.00 N ATOM 641 CA ILE A1109 8.868 4.878 -10.284 1.00 0.00 C ATOM 642 C ILE A1109 8.658 3.371 -10.378 1.00 0.00 C ATOM 643 O ILE A1109 9.575 2.587 -10.146 1.00 0.00 O ATOM 644 CB ILE A1109 9.747 5.356 -11.464 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.800 6.886 -11.500 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.225 4.811 -12.789 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.482 7.536 -11.871 1.00 0.00 C ATOM 0 H ILE A1109 10.427 5.545 -9.051 1.00 0.00 H new ATOM 0 HA ILE A1109 7.906 5.386 -10.350 1.00 0.00 H new ATOM 0 HB ILE A1109 10.756 4.973 -11.314 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.112 7.252 -10.522 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.562 7.197 -12.215 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.860 5.162 -13.602 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.236 3.721 -12.764 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.205 5.160 -12.949 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.599 8.620 -11.875 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.177 7.200 -12.862 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.721 7.256 -11.143 1.00 0.00 H new ATOM 659 N GLU A1110 7.438 2.972 -10.681 1.00 0.00 N ATOM 660 CA GLU A1110 7.130 1.575 -10.899 1.00 0.00 C ATOM 661 C GLU A1110 7.715 1.138 -12.240 1.00 0.00 C ATOM 662 O GLU A1110 7.432 1.737 -13.279 1.00 0.00 O ATOM 663 CB GLU A1110 5.611 1.357 -10.840 1.00 0.00 C ATOM 664 CG GLU A1110 5.157 0.008 -11.365 1.00 0.00 C ATOM 665 CD GLU A1110 3.752 -0.361 -10.928 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.591 -0.832 -9.784 1.00 0.00 O ATOM 667 OE2 GLU A1110 2.806 -0.205 -11.733 1.00 0.00 O ATOM 0 H GLU A1110 6.641 3.601 -10.782 1.00 0.00 H new ATOM 0 HA GLU A1110 7.577 0.964 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.280 1.463 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.120 2.142 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.202 0.015 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.851 -0.760 -11.023 1.00 0.00 H new ATOM 674 N GLY A1111 8.552 0.110 -12.208 1.00 0.00 N ATOM 675 CA GLY A1111 9.277 -0.296 -13.396 1.00 0.00 C ATOM 676 C GLY A1111 10.667 0.319 -13.443 1.00 0.00 C ATOM 677 O GLY A1111 11.502 -0.065 -14.262 1.00 0.00 O ATOM 0 H GLY A1111 8.742 -0.452 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.359 -1.383 -13.419 1.00 0.00 H new ATOM 0 HA3 GLY A1111 8.717 0.001 -14.283 1.00 0.00 H new ATOM 681 N GLN A1112 10.902 1.282 -12.559 1.00 0.00 N ATOM 682 CA GLN A1112 12.214 1.900 -12.409 1.00 0.00 C ATOM 683 C GLN A1112 12.379 2.374 -10.966 1.00 0.00 C ATOM 684 O GLN A1112 12.345 3.574 -10.679 1.00 0.00 O ATOM 685 CB GLN A1112 12.389 3.067 -13.392 1.00 0.00 C ATOM 686 CG GLN A1112 13.786 3.673 -13.386 1.00 0.00 C ATOM 687 CD GLN A1112 14.869 2.636 -13.610 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.384 2.045 -12.660 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.218 2.403 -14.865 1.00 0.00 N ATOM 0 H GLN A1112 10.192 1.655 -11.929 1.00 0.00 H new ATOM 0 HA GLN A1112 12.985 1.165 -12.638 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.159 2.719 -14.399 1.00 0.00 H new ATOM 0 HB3 GLN A1112 11.665 3.845 -13.150 1.00 0.00 H new ATOM 0 HG2 GLN A1112 13.851 4.435 -14.162 1.00 0.00 H new ATOM 0 HG3 GLN A1112 13.958 4.173 -12.433 1.00 0.00 H new ATOM 0 HE21 GLN A1112 14.767 2.914 -15.623 1.00 0.00 H new ATOM 0 HE22 GLN A1112 15.938 1.712 -15.074 1.00 0.00 H new ATOM 698 N PRO A1113 12.560 1.422 -10.037 1.00 0.00 N ATOM 699 CA PRO A1113 12.574 1.697 -8.596 1.00 0.00 C ATOM 700 C PRO A1113 13.765 2.537 -8.157 1.00 0.00 C ATOM 701 O PRO A1113 13.784 3.064 -7.048 1.00 0.00 O ATOM 702 CB PRO A1113 12.649 0.303 -7.955 1.00 0.00 C ATOM 703 CG PRO A1113 12.321 -0.657 -9.046 1.00 0.00 C ATOM 704 CD PRO A1113 12.769 -0.004 -10.317 1.00 0.00 C ATOM 0 HA PRO A1113 11.698 2.276 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.642 0.111 -7.549 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.944 0.213 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A1113 12.831 -1.609 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.252 -0.869 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A1113 13.813 -0.224 -10.540 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.183 -0.339 -11.173 1.00 0.00 H new ATOM 712 N GLU A1114 14.751 2.673 -9.031 1.00 0.00 N ATOM 713 CA GLU A1114 15.955 3.417 -8.703 1.00 0.00 C ATOM 714 C GLU A1114 15.726 4.914 -8.873 1.00 0.00 C ATOM 715 O GLU A1114 16.583 5.729 -8.531 1.00 0.00 O ATOM 716 CB GLU A1114 17.121 2.949 -9.569 1.00 0.00 C ATOM 717 CG GLU A1114 17.399 1.462 -9.435 1.00 0.00 C ATOM 718 CD GLU A1114 18.673 1.040 -10.128 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.662 0.888 -11.367 1.00 0.00 O ATOM 720 OE2 GLU A1114 19.696 0.858 -9.435 1.00 0.00 O ATOM 0 H GLU A1114 14.740 2.278 -9.971 1.00 0.00 H new ATOM 0 HA GLU A1114 16.203 3.228 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.908 3.181 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.017 3.507 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.463 1.203 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A1114 16.562 0.902 -9.851 1.00 0.00 H new ATOM 727 N ARG A1115 14.560 5.269 -9.396 1.00 0.00 N ATOM 728 CA ARG A1115 14.179 6.662 -9.531 1.00 0.00 C ATOM 729 C ARG A1115 13.119 6.993 -8.486 1.00 0.00 C ATOM 730 O ARG A1115 11.931 6.731 -8.695 1.00 0.00 O ATOM 731 CB ARG A1115 13.634 6.939 -10.935 1.00 0.00 C ATOM 732 CG ARG A1115 14.034 8.299 -11.487 1.00 0.00 C ATOM 733 CD ARG A1115 13.222 8.671 -12.722 1.00 0.00 C ATOM 734 NE ARG A1115 13.298 7.656 -13.776 1.00 0.00 N ATOM 735 CZ ARG A1115 12.248 7.252 -14.494 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.058 7.815 -14.313 1.00 0.00 N ATOM 737 NH2 ARG A1115 12.395 6.307 -15.411 1.00 0.00 N ATOM 0 H ARG A1115 13.862 4.606 -9.734 1.00 0.00 H new ATOM 0 HA ARG A1115 15.057 7.289 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A1115 13.989 6.163 -11.613 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.546 6.871 -10.913 1.00 0.00 H new ATOM 0 HG2 ARG A1115 13.894 9.059 -10.718 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.095 8.291 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.180 8.815 -12.437 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.580 9.623 -13.114 1.00 0.00 H new ATOM 0 HE ARG A1115 14.206 7.234 -13.972 1.00 0.00 H new ATOM 0 HH11 ARG A1115 10.945 8.558 -13.624 1.00 0.00 H new ATOM 0 HH12 ARG A1115 10.258 7.504 -14.863 1.00 0.00 H new ATOM 0 HH21 ARG A1115 13.311 5.888 -15.569 1.00 0.00 H new ATOM 0 HH22 ARG A1115 11.592 5.999 -15.959 1.00 0.00 H new ATOM 751 N LYS A1116 13.548 7.532 -7.353 1.00 0.00 N ATOM 752 CA LYS A1116 12.627 7.864 -6.272 1.00 0.00 C ATOM 753 C LYS A1116 12.706 9.342 -5.932 1.00 0.00 C ATOM 754 O LYS A1116 13.506 10.078 -6.506 1.00 0.00 O ATOM 755 CB LYS A1116 12.938 7.060 -5.010 1.00 0.00 C ATOM 756 CG LYS A1116 13.228 5.594 -5.254 1.00 0.00 C ATOM 757 CD LYS A1116 13.345 4.816 -3.948 1.00 0.00 C ATOM 758 CE LYS A1116 14.667 5.061 -3.221 1.00 0.00 C ATOM 759 NZ LYS A1116 14.807 6.455 -2.718 1.00 0.00 N ATOM 0 H LYS A1116 14.525 7.749 -7.158 1.00 0.00 H new ATOM 0 HA LYS A1116 11.624 7.616 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.797 7.509 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.094 7.141 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.434 5.163 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.154 5.496 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.520 5.093 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.244 3.751 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.748 4.369 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.493 4.840 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.293 6.445 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.361 7.015 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 13.864 6.880 -2.606 1.00 0.00 H new ATOM 773 N GLY A1117 11.869 9.771 -5.000 1.00 0.00 N ATOM 774 CA GLY A1117 11.943 11.130 -4.513 1.00 0.00 C ATOM 775 C GLY A1117 10.579 11.693 -4.192 1.00 0.00 C ATOM 776 O GLY A1117 9.597 10.950 -4.152 1.00 0.00 O ATOM 0 H GLY A1117 11.139 9.201 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.567 11.161 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.427 11.757 -5.262 1.00 0.00 H new ATOM 780 N VAL A1118 10.513 12.995 -3.947 1.00 0.00 N ATOM 781 CA VAL A1118 9.238 13.648 -3.702 1.00 0.00 C ATOM 782 C VAL A1118 8.572 14.039 -5.011 1.00 0.00 C ATOM 783 O VAL A1118 9.234 14.449 -5.968 1.00 0.00 O ATOM 784 CB VAL A1118 9.361 14.901 -2.803 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.877 14.525 -1.428 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.250 15.959 -3.438 1.00 0.00 C ATOM 0 H VAL A1118 11.323 13.615 -3.913 1.00 0.00 H new ATOM 0 HA VAL A1118 8.626 12.918 -3.172 1.00 0.00 H new ATOM 0 HB VAL A1118 8.364 15.328 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.956 15.421 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.187 13.822 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.859 14.061 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.313 16.825 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.248 15.549 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A1118 9.827 16.263 -4.396 1.00 0.00 H new ATOM 796 N PHE A1119 7.264 13.896 -5.045 1.00 0.00 N ATOM 797 CA PHE A1119 6.488 14.250 -6.213 1.00 0.00 C ATOM 798 C PHE A1119 5.220 14.978 -5.796 1.00 0.00 C ATOM 799 O PHE A1119 4.551 14.586 -4.835 1.00 0.00 O ATOM 800 CB PHE A1119 6.162 13.006 -7.060 1.00 0.00 C ATOM 801 CG PHE A1119 5.524 11.860 -6.306 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.295 11.003 -5.538 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.156 11.626 -6.388 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.722 9.941 -4.868 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.581 10.557 -5.719 1.00 0.00 C ATOM 806 CZ PHE A1119 4.368 9.717 -4.957 1.00 0.00 C ATOM 0 H PHE A1119 6.712 13.533 -4.268 1.00 0.00 H new ATOM 0 HA PHE A1119 7.083 14.920 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.495 13.303 -7.870 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.083 12.648 -7.520 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.360 11.168 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.535 12.284 -6.979 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.339 9.284 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.518 10.381 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.921 8.886 -4.432 1.00 0.00 H new ATOM 816 N PRO A1120 4.907 16.080 -6.490 1.00 0.00 N ATOM 817 CA PRO A1120 3.694 16.849 -6.237 1.00 0.00 C ATOM 818 C PRO A1120 2.443 16.040 -6.568 1.00 0.00 C ATOM 819 O PRO A1120 2.284 15.544 -7.685 1.00 0.00 O ATOM 820 CB PRO A1120 3.824 18.063 -7.162 1.00 0.00 C ATOM 821 CG PRO A1120 4.797 17.653 -8.213 1.00 0.00 C ATOM 822 CD PRO A1120 5.721 16.662 -7.570 1.00 0.00 C ATOM 0 HA PRO A1120 3.592 17.128 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.862 18.329 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.179 18.937 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.284 17.209 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.350 18.514 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.050 15.902 -8.279 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.618 17.144 -7.181 1.00 0.00 H new ATOM 830 N VAL A1121 1.561 15.911 -5.586 1.00 0.00 N ATOM 831 CA VAL A1121 0.369 15.080 -5.711 1.00 0.00 C ATOM 832 C VAL A1121 -0.609 15.660 -6.735 1.00 0.00 C ATOM 833 O VAL A1121 -1.391 14.937 -7.349 1.00 0.00 O ATOM 834 CB VAL A1121 -0.326 14.923 -4.340 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.396 13.850 -4.378 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.693 14.602 -3.262 1.00 0.00 C ATOM 0 H VAL A1121 1.650 16.377 -4.683 1.00 0.00 H new ATOM 0 HA VAL A1121 0.684 14.098 -6.063 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.808 15.872 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.863 13.767 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.151 14.115 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.944 12.895 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.186 14.495 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.203 13.671 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.422 15.410 -3.199 1.00 0.00 H new ATOM 846 N SER A1122 -0.530 16.965 -6.944 1.00 0.00 N ATOM 847 CA SER A1122 -1.376 17.635 -7.918 1.00 0.00 C ATOM 848 C SER A1122 -0.905 17.336 -9.343 1.00 0.00 C ATOM 849 O SER A1122 -1.574 17.680 -10.320 1.00 0.00 O ATOM 850 CB SER A1122 -1.358 19.141 -7.649 1.00 0.00 C ATOM 851 OG SER A1122 -0.029 19.605 -7.460 1.00 0.00 O ATOM 0 H SER A1122 0.114 17.583 -6.450 1.00 0.00 H new ATOM 0 HA SER A1122 -2.396 17.264 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.817 19.669 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.955 19.364 -6.765 1.00 0.00 H new ATOM 0 HG SER A1122 -0.040 20.570 -7.291 1.00 0.00 H new ATOM 857 N PHE A1123 0.248 16.683 -9.450 1.00 0.00 N ATOM 858 CA PHE A1123 0.834 16.343 -10.740 1.00 0.00 C ATOM 859 C PHE A1123 0.633 14.864 -11.060 1.00 0.00 C ATOM 860 O PHE A1123 1.070 14.379 -12.106 1.00 0.00 O ATOM 861 CB PHE A1123 2.332 16.677 -10.744 1.00 0.00 C ATOM 862 CG PHE A1123 2.641 18.134 -10.971 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.026 19.125 -10.221 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.550 18.509 -11.946 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.311 20.458 -10.443 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.837 19.838 -12.172 1.00 0.00 C ATOM 867 CZ PHE A1123 3.220 20.815 -11.418 1.00 0.00 C ATOM 0 H PHE A1123 0.799 16.376 -8.649 1.00 0.00 H new ATOM 0 HA PHE A1123 0.331 16.933 -11.506 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.763 16.370 -9.791 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.822 16.088 -11.520 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.316 18.851 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A1123 4.041 17.750 -12.537 1.00 0.00 H new ATOM 0 HE1 PHE A1123 1.823 21.220 -9.854 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.545 20.115 -12.939 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.448 21.857 -11.590 1.00 0.00 H new ATOM 877 N VAL A1124 -0.039 14.149 -10.167 1.00 0.00 N ATOM 878 CA VAL A1124 -0.220 12.712 -10.334 1.00 0.00 C ATOM 879 C VAL A1124 -1.692 12.320 -10.206 1.00 0.00 C ATOM 880 O VAL A1124 -2.490 13.057 -9.629 1.00 0.00 O ATOM 881 CB VAL A1124 0.617 11.914 -9.312 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.095 12.256 -9.435 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.125 12.160 -7.892 1.00 0.00 C ATOM 0 H VAL A1124 -0.465 14.537 -9.325 1.00 0.00 H new ATOM 0 HA VAL A1124 0.126 12.465 -11.338 1.00 0.00 H new ATOM 0 HB VAL A1124 0.493 10.854 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.664 11.681 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.443 12.012 -10.439 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.239 13.321 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.732 11.586 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.207 13.221 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.916 11.849 -7.809 1.00 0.00 H new ATOM 893 N HIS A1125 -2.048 11.168 -10.761 1.00 0.00 N ATOM 894 CA HIS A1125 -3.426 10.695 -10.724 1.00 0.00 C ATOM 895 C HIS A1125 -3.491 9.373 -9.967 1.00 0.00 C ATOM 896 O HIS A1125 -3.148 8.326 -10.505 1.00 0.00 O ATOM 897 CB HIS A1125 -3.940 10.525 -12.153 1.00 0.00 C ATOM 898 CG HIS A1125 -5.416 10.685 -12.296 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.999 11.840 -12.769 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.429 9.824 -12.057 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.303 11.683 -12.815 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.592 10.467 -12.387 1.00 0.00 N ATOM 0 H HIS A1125 -1.401 10.544 -11.242 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.055 11.421 -10.209 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.443 11.253 -12.795 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.657 9.536 -12.514 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.339 8.817 -11.677 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.017 12.422 -13.146 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.529 10.071 -12.314 1.00 0.00 H new ATOM 911 N ILE A1126 -3.942 9.433 -8.728 1.00 0.00 N ATOM 912 CA ILE A1126 -3.850 8.302 -7.809 1.00 0.00 C ATOM 913 C ILE A1126 -4.727 7.125 -8.232 1.00 0.00 C ATOM 914 O ILE A1126 -5.826 7.302 -8.758 1.00 0.00 O ATOM 915 CB ILE A1126 -4.233 8.736 -6.382 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.434 9.980 -5.990 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.990 7.601 -5.393 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.725 10.478 -4.598 1.00 0.00 C ATOM 0 H ILE A1126 -4.382 10.261 -8.327 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.813 7.967 -7.833 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.295 8.979 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.370 9.757 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.648 10.777 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.266 7.927 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.594 6.738 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.935 7.326 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.121 11.362 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.781 10.734 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.484 9.699 -3.875 1.00 0.00 H new ATOM 930 N LEU A1127 -4.209 5.925 -8.001 1.00 0.00 N ATOM 931 CA LEU A1127 -4.930 4.694 -8.274 1.00 0.00 C ATOM 932 C LEU A1127 -5.312 4.040 -6.956 1.00 0.00 C ATOM 933 O LEU A1127 -4.440 3.711 -6.153 1.00 0.00 O ATOM 934 CB LEU A1127 -4.055 3.717 -9.067 1.00 0.00 C ATOM 935 CG LEU A1127 -3.073 4.354 -10.051 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.202 3.291 -10.699 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.807 5.150 -11.118 1.00 0.00 C ATOM 0 H LEU A1127 -3.275 5.781 -7.618 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.818 4.934 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.490 3.109 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.707 3.041 -9.620 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.436 5.038 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.510 3.763 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.639 2.763 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.832 2.583 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.084 5.592 -11.804 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.474 4.489 -11.671 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.389 5.941 -10.646 1.00 0.00 H new