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+ 148:sc= -1.66! (180deg=-3.66!) USER MOD Single : A1074 THR OG1 : rot 142:sc= 2.13 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -109:sc= 0.216 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.6) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A1097 THR OG1 : rot -150:sc= -1.11 USER MOD Single : A1102 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-2.3!) USER MOD Single : A1112 GLN : amide:sc= -0.577 K(o=-0.58,f=-4.1!) USER MOD Single : A1116 LYS NZ :NH3+ 134:sc= -0.0474 (180deg=-0.25) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0793 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.221 2.266 -2.259 1.00 0.00 N ATOM 20 CA ARG A1070 -0.836 3.274 -3.102 1.00 0.00 C ATOM 21 C ARG A1070 0.058 3.590 -4.294 1.00 0.00 C ATOM 22 O ARG A1070 1.283 3.639 -4.167 1.00 0.00 O ATOM 23 CB ARG A1070 -1.097 4.545 -2.290 1.00 0.00 C ATOM 24 CG ARG A1070 -1.845 5.619 -3.060 1.00 0.00 C ATOM 25 CD ARG A1070 -1.794 6.958 -2.339 1.00 0.00 C ATOM 26 NE ARG A1070 -2.512 6.951 -1.064 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.980 7.361 0.095 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.696 7.696 0.163 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.727 7.417 1.192 1.00 0.00 N ATOM 0 HA ARG A1070 -1.785 2.887 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.668 4.285 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.144 4.951 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.412 5.723 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.883 5.316 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.753 7.229 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.218 7.728 -2.984 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.475 6.614 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.110 7.642 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.296 8.008 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.710 7.147 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.318 7.730 2.072 1.00 0.00 H new ATOM 43 N ARG A1071 -0.548 3.794 -5.454 1.00 0.00 N ATOM 44 CA ARG A1071 0.191 4.205 -6.624 1.00 0.00 C ATOM 45 C ARG A1071 -0.362 5.517 -7.133 1.00 0.00 C ATOM 46 O ARG A1071 -1.453 5.927 -6.746 1.00 0.00 O ATOM 47 CB ARG A1071 0.129 3.159 -7.738 1.00 0.00 C ATOM 48 CG ARG A1071 1.304 2.197 -7.739 1.00 0.00 C ATOM 49 CD ARG A1071 1.086 1.014 -6.813 1.00 0.00 C ATOM 50 NE ARG A1071 0.479 -0.122 -7.511 1.00 0.00 N ATOM 51 CZ ARG A1071 1.170 -0.975 -8.277 1.00 0.00 C ATOM 52 NH1 ARG A1071 2.475 -0.807 -8.451 1.00 0.00 N ATOM 53 NH2 ARG A1071 0.567 -1.994 -8.867 1.00 0.00 N ATOM 0 H ARG A1071 -1.550 3.680 -5.604 1.00 0.00 H new ATOM 0 HA ARG A1071 1.236 4.320 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.795 2.590 -7.638 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.087 3.669 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.472 1.835 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A1071 2.206 2.729 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A1071 2.040 0.708 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.445 1.315 -5.984 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.525 -0.271 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A1071 2.953 -0.027 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A1071 3.000 -1.458 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -0.435 -2.136 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A1071 1.104 -2.637 -9.448 1.00 0.00 H new ATOM 67 N VAL A1072 0.400 6.178 -7.975 1.00 0.00 N ATOM 68 CA VAL A1072 -0.051 7.382 -8.642 1.00 0.00 C ATOM 69 C VAL A1072 0.393 7.328 -10.100 1.00 0.00 C ATOM 70 O VAL A1072 1.476 6.835 -10.408 1.00 0.00 O ATOM 71 CB VAL A1072 0.503 8.660 -7.970 1.00 0.00 C ATOM 72 CG1 VAL A1072 0.017 8.776 -6.534 1.00 0.00 C ATOM 73 CG2 VAL A1072 2.018 8.684 -8.021 1.00 0.00 C ATOM 0 H VAL A1072 1.350 5.897 -8.218 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.138 7.428 -8.573 1.00 0.00 H new ATOM 0 HB VAL A1072 0.127 9.518 -8.527 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.421 9.683 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.072 8.819 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.353 7.909 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.384 9.592 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.414 7.813 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.347 8.664 -9.060 1.00 0.00 H new ATOM 83 N LYS A1073 -0.446 7.798 -10.992 1.00 0.00 N ATOM 84 CA LYS A1073 -0.147 7.767 -12.409 1.00 0.00 C ATOM 85 C LYS A1073 -0.040 9.192 -12.910 1.00 0.00 C ATOM 86 O LYS A1073 -1.035 9.905 -12.997 1.00 0.00 O ATOM 87 CB LYS A1073 -1.234 6.992 -13.151 1.00 0.00 C ATOM 88 CG LYS A1073 -0.715 6.173 -14.316 1.00 0.00 C ATOM 89 CD LYS A1073 -0.833 6.914 -15.628 1.00 0.00 C ATOM 90 CE LYS A1073 -0.249 6.098 -16.763 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.569 6.690 -18.090 1.00 0.00 N ATOM 0 H LYS A1073 -1.350 8.211 -10.761 1.00 0.00 H new ATOM 0 HA LYS A1073 0.800 7.259 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.738 6.328 -12.448 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.982 7.695 -13.518 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.329 5.913 -14.139 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.271 5.237 -14.377 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.881 7.133 -15.834 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.315 7.870 -15.558 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.833 6.033 -16.645 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.636 5.080 -16.716 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.208 6.496 -18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.448 6.270 -18.455 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.691 7.718 -17.991 1.00 0.00 H new ATOM 105 N THR A1074 1.177 9.599 -13.195 1.00 0.00 N ATOM 106 CA THR A1074 1.482 10.981 -13.518 1.00 0.00 C ATOM 107 C THR A1074 0.654 11.495 -14.692 1.00 0.00 C ATOM 108 O THR A1074 0.558 10.851 -15.737 1.00 0.00 O ATOM 109 CB THR A1074 2.978 11.132 -13.824 1.00 0.00 C ATOM 110 OG1 THR A1074 3.321 10.356 -14.975 1.00 0.00 O ATOM 111 CG2 THR A1074 3.803 10.665 -12.635 1.00 0.00 C ATOM 0 H THR A1074 1.988 8.981 -13.210 1.00 0.00 H new ATOM 0 HA THR A1074 1.223 11.584 -12.648 1.00 0.00 H new ATOM 0 HB THR A1074 3.191 12.183 -14.019 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.971 10.848 -15.519 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.863 10.776 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.554 11.266 -11.761 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.584 9.617 -12.429 1.00 0.00 H new ATOM 119 N ILE A1075 0.047 12.655 -14.501 1.00 0.00 N ATOM 120 CA ILE A1075 -0.791 13.266 -15.524 1.00 0.00 C ATOM 121 C ILE A1075 -0.186 14.580 -16.011 1.00 0.00 C ATOM 122 O ILE A1075 -0.740 15.246 -16.886 1.00 0.00 O ATOM 123 CB ILE A1075 -2.229 13.501 -15.005 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.196 14.064 -13.581 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.037 12.211 -15.064 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.560 14.218 -12.949 1.00 0.00 C ATOM 0 H ILE A1075 0.119 13.197 -13.640 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.840 12.573 -16.364 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.717 14.233 -15.649 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.589 13.409 -12.956 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.702 15.036 -13.597 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.046 12.396 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.087 11.860 -16.095 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.558 11.453 -14.445 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.451 14.622 -11.942 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.165 14.898 -13.549 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.050 13.245 -12.899 1.00 0.00 H new ATOM 138 N TYR A1076 0.963 14.939 -15.442 1.00 0.00 N ATOM 139 CA TYR A1076 1.684 16.145 -15.833 1.00 0.00 C ATOM 140 C TYR A1076 3.178 15.860 -15.886 1.00 0.00 C ATOM 141 O TYR A1076 3.660 14.909 -15.267 1.00 0.00 O ATOM 142 CB TYR A1076 1.445 17.281 -14.835 1.00 0.00 C ATOM 143 CG TYR A1076 0.012 17.742 -14.714 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.496 18.737 -15.539 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.825 17.201 -13.751 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.803 19.174 -15.409 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.125 17.633 -13.611 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.612 18.617 -14.440 1.00 0.00 C ATOM 149 OH TYR A1076 -3.909 19.052 -14.289 1.00 0.00 O ATOM 0 H TYR A1076 1.417 14.405 -14.701 1.00 0.00 H new ATOM 0 HA TYR A1076 1.317 16.447 -16.814 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.790 16.958 -13.853 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.060 18.133 -15.125 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.139 19.177 -16.294 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.451 16.426 -13.098 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.186 19.945 -16.061 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.761 17.201 -12.852 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.339 18.554 -13.562 1.00 0.00 H new ATOM 159 N ASP A1077 3.897 16.675 -16.645 1.00 0.00 N ATOM 160 CA ASP A1077 5.352 16.648 -16.656 1.00 0.00 C ATOM 161 C ASP A1077 5.888 17.356 -15.420 1.00 0.00 C ATOM 162 O ASP A1077 5.419 18.443 -15.075 1.00 0.00 O ATOM 163 CB ASP A1077 5.878 17.336 -17.918 1.00 0.00 C ATOM 164 CG ASP A1077 7.387 17.480 -17.933 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.080 16.520 -18.336 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.888 18.564 -17.564 1.00 0.00 O ATOM 0 H ASP A1077 3.489 17.372 -17.269 1.00 0.00 H new ATOM 0 HA ASP A1077 5.690 15.612 -16.651 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.565 16.766 -18.793 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.424 18.323 -18.002 1.00 0.00 H new ATOM 171 N CYS A1078 6.847 16.746 -14.747 1.00 0.00 N ATOM 172 CA CYS A1078 7.430 17.340 -13.554 1.00 0.00 C ATOM 173 C CYS A1078 8.933 17.513 -13.716 1.00 0.00 C ATOM 174 O CYS A1078 9.701 16.555 -13.575 1.00 0.00 O ATOM 175 CB CYS A1078 7.130 16.488 -12.325 1.00 0.00 C ATOM 176 SG CYS A1078 7.930 17.053 -10.801 1.00 0.00 S ATOM 0 H CYS A1078 7.239 15.840 -15.005 1.00 0.00 H new ATOM 0 HA CYS A1078 6.980 18.323 -13.415 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.052 16.468 -12.168 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.442 15.463 -12.525 1.00 0.00 H new ATOM 0 HG CYS A1078 8.879 16.226 -10.476 1.00 0.00 H new ATOM 182 N GLN A1079 9.343 18.734 -14.027 1.00 0.00 N ATOM 183 CA GLN A1079 10.754 19.063 -14.122 1.00 0.00 C ATOM 184 C GLN A1079 11.322 19.307 -12.734 1.00 0.00 C ATOM 185 O GLN A1079 11.270 20.421 -12.208 1.00 0.00 O ATOM 186 CB GLN A1079 10.968 20.299 -14.998 1.00 0.00 C ATOM 187 CG GLN A1079 10.488 20.126 -16.426 1.00 0.00 C ATOM 188 CD GLN A1079 10.662 21.378 -17.265 1.00 0.00 C ATOM 189 OE1 GLN A1079 9.775 22.231 -17.329 1.00 0.00 O ATOM 190 NE2 GLN A1079 11.800 21.495 -17.927 1.00 0.00 N ATOM 0 H GLN A1079 8.715 19.514 -14.218 1.00 0.00 H new ATOM 0 HA GLN A1079 11.273 18.222 -14.582 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.448 21.145 -14.550 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.030 20.546 -15.009 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.034 19.305 -16.890 1.00 0.00 H new ATOM 0 HG3 GLN A1079 9.435 19.844 -16.418 1.00 0.00 H new ATOM 0 HE21 GLN A1079 12.512 20.769 -17.850 1.00 0.00 H new ATOM 0 HE22 GLN A1079 11.966 22.312 -18.515 1.00 0.00 H new ATOM 199 N ALA A1080 11.827 18.247 -12.133 1.00 0.00 N ATOM 200 CA ALA A1080 12.464 18.336 -10.833 1.00 0.00 C ATOM 201 C ALA A1080 13.802 19.052 -10.946 1.00 0.00 C ATOM 202 O ALA A1080 14.775 18.495 -11.458 1.00 0.00 O ATOM 203 CB ALA A1080 12.659 16.950 -10.252 1.00 0.00 C ATOM 0 H ALA A1080 11.808 17.307 -12.528 1.00 0.00 H new ATOM 0 HA ALA A1080 11.819 18.909 -10.167 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.138 17.029 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A1080 11.691 16.462 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.289 16.361 -10.919 1.00 0.00 H new ATOM 209 N ASP A1081 13.841 20.286 -10.470 1.00 0.00 N ATOM 210 CA ASP A1081 15.057 21.084 -10.519 1.00 0.00 C ATOM 211 C ASP A1081 15.955 20.707 -9.350 1.00 0.00 C ATOM 212 O ASP A1081 17.182 20.807 -9.420 1.00 0.00 O ATOM 213 CB ASP A1081 14.717 22.578 -10.482 1.00 0.00 C ATOM 214 CG ASP A1081 15.912 23.466 -10.777 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.235 23.658 -11.970 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.518 23.995 -9.824 1.00 0.00 O ATOM 0 H ASP A1081 13.043 20.758 -10.044 1.00 0.00 H new ATOM 0 HA ASP A1081 15.584 20.882 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.930 22.784 -11.208 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.318 22.830 -9.499 1.00 0.00 H new ATOM 221 N ASN A1082 15.332 20.237 -8.280 1.00 0.00 N ATOM 222 CA ASN A1082 16.061 19.780 -7.109 1.00 0.00 C ATOM 223 C ASN A1082 16.221 18.272 -7.185 1.00 0.00 C ATOM 224 O ASN A1082 15.285 17.560 -7.542 1.00 0.00 O ATOM 225 CB ASN A1082 15.323 20.199 -5.830 1.00 0.00 C ATOM 226 CG ASN A1082 15.948 19.652 -4.556 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.139 19.351 -4.506 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.147 19.543 -3.508 1.00 0.00 N ATOM 0 H ASN A1082 14.318 20.162 -8.200 1.00 0.00 H new ATOM 0 HA ASN A1082 17.050 20.237 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.300 21.287 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.289 19.861 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.513 19.199 -2.620 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.164 19.803 -3.588 1.00 0.00 H new ATOM 235 N ASP A1083 17.408 17.790 -6.851 1.00 0.00 N ATOM 236 CA ASP A1083 17.750 16.387 -7.048 1.00 0.00 C ATOM 237 C ASP A1083 17.013 15.487 -6.059 1.00 0.00 C ATOM 238 O ASP A1083 16.983 14.267 -6.217 1.00 0.00 O ATOM 239 CB ASP A1083 19.263 16.200 -6.922 1.00 0.00 C ATOM 240 CG ASP A1083 19.722 14.830 -7.375 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.407 14.439 -8.517 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.415 14.143 -6.600 1.00 0.00 O ATOM 0 H ASP A1083 18.154 18.351 -6.441 1.00 0.00 H new ATOM 0 HA ASP A1083 17.435 16.096 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.770 16.962 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.559 16.353 -5.884 1.00 0.00 H new ATOM 247 N ASP A1084 16.412 16.097 -5.046 1.00 0.00 N ATOM 248 CA ASP A1084 15.611 15.354 -4.072 1.00 0.00 C ATOM 249 C ASP A1084 14.203 15.138 -4.620 1.00 0.00 C ATOM 250 O ASP A1084 13.448 14.284 -4.147 1.00 0.00 O ATOM 251 CB ASP A1084 15.559 16.112 -2.745 1.00 0.00 C ATOM 252 CG ASP A1084 14.902 15.313 -1.632 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.545 14.374 -1.112 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.750 15.622 -1.268 1.00 0.00 O ATOM 0 H ASP A1084 16.461 17.101 -4.874 1.00 0.00 H new ATOM 0 HA ASP A1084 16.072 14.382 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.572 16.378 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.013 17.045 -2.887 1.00 0.00 H new ATOM 259 N GLU A1085 13.870 15.916 -5.640 1.00 0.00 N ATOM 260 CA GLU A1085 12.581 15.823 -6.309 1.00 0.00 C ATOM 261 C GLU A1085 12.664 14.794 -7.432 1.00 0.00 C ATOM 262 O GLU A1085 13.739 14.567 -7.993 1.00 0.00 O ATOM 263 CB GLU A1085 12.190 17.189 -6.875 1.00 0.00 C ATOM 264 CG GLU A1085 12.032 18.267 -5.821 1.00 0.00 C ATOM 265 CD GLU A1085 11.948 19.658 -6.421 1.00 0.00 C ATOM 266 OE1 GLU A1085 11.929 19.782 -7.667 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.920 20.638 -5.652 1.00 0.00 O ATOM 0 H GLU A1085 14.487 16.630 -6.027 1.00 0.00 H new ATOM 0 HA GLU A1085 11.822 15.510 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.947 17.504 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.253 17.090 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.132 18.071 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A1085 12.875 18.223 -5.131 1.00 0.00 H new ATOM 274 N LEU A1086 11.543 14.167 -7.759 1.00 0.00 N ATOM 275 CA LEU A1086 11.532 13.158 -8.809 1.00 0.00 C ATOM 276 C LEU A1086 11.171 13.759 -10.163 1.00 0.00 C ATOM 277 O LEU A1086 10.290 14.615 -10.269 1.00 0.00 O ATOM 278 CB LEU A1086 10.565 12.020 -8.478 1.00 0.00 C ATOM 279 CG LEU A1086 10.504 10.916 -9.538 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.865 10.272 -9.723 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.475 9.869 -9.167 1.00 0.00 C ATOM 0 H LEU A1086 10.639 14.336 -7.318 1.00 0.00 H new ATOM 0 HA LEU A1086 12.543 12.755 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.856 11.577 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.566 12.435 -8.345 1.00 0.00 H new ATOM 0 HG LEU A1086 10.206 11.373 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.798 9.491 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.584 11.026 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.192 9.835 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.450 9.096 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.740 9.421 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.493 10.335 -9.090 1.00 0.00 H new ATOM 293 N THR A1087 11.852 13.284 -11.192 1.00 0.00 N ATOM 294 CA THR A1087 11.632 13.736 -12.555 1.00 0.00 C ATOM 295 C THR A1087 10.833 12.694 -13.327 1.00 0.00 C ATOM 296 O THR A1087 11.278 11.558 -13.492 1.00 0.00 O ATOM 297 CB THR A1087 12.978 13.976 -13.262 1.00 0.00 C ATOM 298 OG1 THR A1087 14.040 13.383 -12.496 1.00 0.00 O ATOM 299 CG2 THR A1087 13.237 15.462 -13.447 1.00 0.00 C ATOM 0 H THR A1087 12.576 12.571 -11.105 1.00 0.00 H new ATOM 0 HA THR A1087 11.073 14.671 -12.524 1.00 0.00 H new ATOM 0 HB THR A1087 12.939 13.512 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.895 13.536 -12.949 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.194 15.605 -13.949 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.442 15.897 -14.052 1.00 0.00 H new ATOM 0 HG23 THR A1087 13.261 15.951 -12.473 1.00 0.00 H new ATOM 307 N PHE A1088 9.650 13.072 -13.779 1.00 0.00 N ATOM 308 CA PHE A1088 8.790 12.160 -14.521 1.00 0.00 C ATOM 309 C PHE A1088 8.005 12.914 -15.584 1.00 0.00 C ATOM 310 O PHE A1088 7.961 14.151 -15.569 1.00 0.00 O ATOM 311 CB PHE A1088 7.825 11.436 -13.572 1.00 0.00 C ATOM 312 CG PHE A1088 6.973 12.352 -12.730 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.896 13.032 -13.282 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.247 12.528 -11.382 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.112 13.866 -12.509 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.467 13.363 -10.605 1.00 0.00 C ATOM 317 CZ PHE A1088 5.399 14.034 -11.170 1.00 0.00 C ATOM 0 H PHE A1088 9.260 14.005 -13.646 1.00 0.00 H new ATOM 0 HA PHE A1088 9.422 11.419 -15.010 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.172 10.791 -14.160 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.402 10.788 -12.912 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.668 12.907 -14.330 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.080 12.006 -10.934 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.275 14.386 -12.952 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.692 13.491 -9.556 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.790 14.689 -10.564 1.00 0.00 H new ATOM 327 N ILE A1089 7.401 12.177 -16.507 1.00 0.00 N ATOM 328 CA ILE A1089 6.502 12.773 -17.488 1.00 0.00 C ATOM 329 C ILE A1089 5.143 12.082 -17.434 1.00 0.00 C ATOM 330 O ILE A1089 5.007 11.002 -16.833 1.00 0.00 O ATOM 331 CB ILE A1089 7.047 12.723 -18.945 1.00 0.00 C ATOM 332 CG1 ILE A1089 6.900 11.325 -19.573 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.499 13.173 -18.989 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.807 10.270 -18.981 1.00 0.00 C ATOM 0 H ILE A1089 7.517 11.168 -16.597 1.00 0.00 H new ATOM 0 HA ILE A1089 6.413 13.826 -17.220 1.00 0.00 H new ATOM 0 HB ILE A1089 6.443 13.411 -19.537 1.00 0.00 H new ATOM 0 HG12 ILE A1089 5.866 10.999 -19.464 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.100 11.399 -20.642 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.862 13.131 -20.016 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.574 14.195 -18.619 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.103 12.515 -18.364 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.635 9.318 -19.484 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.847 10.568 -19.114 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.594 10.162 -17.918 1.00 0.00 H new ATOM 346 N GLU A1090 4.149 12.714 -18.050 1.00 0.00 N ATOM 347 CA GLU A1090 2.791 12.184 -18.095 1.00 0.00 C ATOM 348 C GLU A1090 2.793 10.738 -18.570 1.00 0.00 C ATOM 349 O GLU A1090 3.193 10.451 -19.700 1.00 0.00 O ATOM 350 CB GLU A1090 1.891 13.001 -19.038 1.00 0.00 C ATOM 351 CG GLU A1090 2.111 14.505 -18.997 1.00 0.00 C ATOM 352 CD GLU A1090 3.262 14.949 -19.879 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.410 14.954 -19.404 1.00 0.00 O ATOM 354 OE2 GLU A1090 3.025 15.284 -21.058 1.00 0.00 O ATOM 0 H GLU A1090 4.262 13.606 -18.531 1.00 0.00 H new ATOM 0 HA GLU A1090 2.397 12.247 -17.081 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.051 12.654 -20.059 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.850 12.795 -18.790 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.199 15.011 -19.314 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.306 14.812 -17.970 1.00 0.00 H new ATOM 361 N GLY A1091 2.369 9.833 -17.705 1.00 0.00 N ATOM 362 CA GLY A1091 2.208 8.457 -18.113 1.00 0.00 C ATOM 363 C GLY A1091 3.078 7.489 -17.340 1.00 0.00 C ATOM 364 O GLY A1091 3.060 6.291 -17.613 1.00 0.00 O ATOM 0 H GLY A1091 2.134 10.026 -16.731 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.163 8.171 -17.991 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.440 8.372 -19.175 1.00 0.00 H new ATOM 368 N GLU A1092 3.837 7.984 -16.377 1.00 0.00 N ATOM 369 CA GLU A1092 4.637 7.100 -15.545 1.00 0.00 C ATOM 370 C GLU A1092 3.909 6.783 -14.245 1.00 0.00 C ATOM 371 O GLU A1092 3.217 7.634 -13.680 1.00 0.00 O ATOM 372 CB GLU A1092 6.011 7.707 -15.268 1.00 0.00 C ATOM 373 CG GLU A1092 6.828 7.909 -16.533 1.00 0.00 C ATOM 374 CD GLU A1092 8.279 8.223 -16.255 1.00 0.00 C ATOM 375 OE1 GLU A1092 8.603 9.400 -16.008 1.00 0.00 O ATOM 376 OE2 GLU A1092 9.109 7.289 -16.308 1.00 0.00 O ATOM 0 H GLU A1092 3.917 8.976 -16.154 1.00 0.00 H new ATOM 0 HA GLU A1092 4.788 6.166 -16.087 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.885 8.666 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.560 7.058 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.768 7.009 -17.145 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.391 8.721 -17.115 1.00 0.00 H new ATOM 383 N VAL A1093 4.044 5.548 -13.791 1.00 0.00 N ATOM 384 CA VAL A1093 3.392 5.111 -12.570 1.00 0.00 C ATOM 385 C VAL A1093 4.386 5.120 -11.414 1.00 0.00 C ATOM 386 O VAL A1093 5.485 4.581 -11.518 1.00 0.00 O ATOM 387 CB VAL A1093 2.787 3.698 -12.717 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.091 3.264 -11.432 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.823 3.642 -13.893 1.00 0.00 C ATOM 0 H VAL A1093 4.601 4.829 -14.252 1.00 0.00 H new ATOM 0 HA VAL A1093 2.579 5.808 -12.366 1.00 0.00 H new ATOM 0 HB VAL A1093 3.604 3.003 -12.910 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.674 2.266 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.812 3.252 -10.614 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.289 3.964 -11.198 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.409 2.637 -13.977 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.014 4.355 -13.735 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.354 3.894 -14.811 1.00 0.00 H new ATOM 399 N ILE A1094 3.991 5.744 -10.325 1.00 0.00 N ATOM 400 CA ILE A1094 4.836 5.865 -9.149 1.00 0.00 C ATOM 401 C ILE A1094 4.181 5.163 -7.966 1.00 0.00 C ATOM 402 O ILE A1094 2.977 5.282 -7.763 1.00 0.00 O ATOM 403 CB ILE A1094 5.065 7.350 -8.776 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.674 8.121 -9.949 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.951 7.471 -7.544 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.868 9.594 -9.661 1.00 0.00 C ATOM 0 H ILE A1094 3.076 6.183 -10.227 1.00 0.00 H new ATOM 0 HA ILE A1094 5.796 5.403 -9.380 1.00 0.00 H new ATOM 0 HB ILE A1094 4.094 7.788 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.636 7.678 -10.205 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.030 8.010 -10.821 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.097 8.524 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.474 6.968 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.917 7.007 -7.744 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.303 10.081 -10.534 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.905 10.050 -9.434 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.536 9.713 -8.808 1.00 0.00 H new ATOM 418 N ILE A1095 4.959 4.422 -7.197 1.00 0.00 N ATOM 419 CA ILE A1095 4.449 3.846 -5.963 1.00 0.00 C ATOM 420 C ILE A1095 4.722 4.792 -4.812 1.00 0.00 C ATOM 421 O ILE A1095 5.875 5.144 -4.559 1.00 0.00 O ATOM 422 CB ILE A1095 5.066 2.470 -5.632 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.672 1.439 -6.689 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.632 2.008 -4.243 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.014 0.017 -6.303 1.00 0.00 C ATOM 0 H ILE A1095 5.935 4.206 -7.400 1.00 0.00 H new ATOM 0 HA ILE A1095 3.379 3.697 -6.108 1.00 0.00 H new ATOM 0 HB ILE A1095 6.151 2.569 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.600 1.509 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.172 1.683 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A1095 5.077 1.036 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.963 2.732 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.546 1.925 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.706 -0.660 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.090 -0.069 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.493 -0.245 -5.382 1.00 0.00 H new ATOM 437 N VAL A1096 3.666 5.209 -4.135 1.00 0.00 N ATOM 438 CA VAL A1096 3.793 6.061 -2.969 1.00 0.00 C ATOM 439 C VAL A1096 4.410 5.274 -1.820 1.00 0.00 C ATOM 440 O VAL A1096 3.781 4.377 -1.253 1.00 0.00 O ATOM 441 CB VAL A1096 2.428 6.636 -2.533 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.581 7.500 -1.290 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.805 7.431 -3.670 1.00 0.00 C ATOM 0 H VAL A1096 2.705 4.968 -4.377 1.00 0.00 H new ATOM 0 HA VAL A1096 4.440 6.897 -3.234 1.00 0.00 H new ATOM 0 HB VAL A1096 1.764 5.807 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.608 7.895 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.986 6.898 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.259 8.326 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.843 7.831 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.466 8.253 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.658 6.780 -4.532 1.00 0.00 H new ATOM 453 N THR A1097 5.646 5.605 -1.500 1.00 0.00 N ATOM 454 CA THR A1097 6.382 4.914 -0.466 1.00 0.00 C ATOM 455 C THR A1097 6.361 5.718 0.834 1.00 0.00 C ATOM 456 O THR A1097 6.511 5.164 1.926 1.00 0.00 O ATOM 457 CB THR A1097 7.836 4.660 -0.913 1.00 0.00 C ATOM 458 OG1 THR A1097 8.432 5.893 -1.341 1.00 0.00 O ATOM 459 CG2 THR A1097 7.890 3.645 -2.055 1.00 0.00 C ATOM 0 H THR A1097 6.165 6.359 -1.950 1.00 0.00 H new ATOM 0 HA THR A1097 5.901 3.952 -0.288 1.00 0.00 H new ATOM 0 HB THR A1097 8.388 4.256 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.105 5.709 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.927 3.485 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.457 2.701 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.325 4.025 -2.906 1.00 0.00 H new ATOM 467 N GLY A1098 6.151 7.025 0.703 1.00 0.00 N ATOM 468 CA GLY A1098 6.095 7.903 1.857 1.00 0.00 C ATOM 469 C GLY A1098 5.257 9.140 1.590 1.00 0.00 C ATOM 470 O GLY A1098 4.824 9.366 0.462 1.00 0.00 O ATOM 0 H GLY A1098 6.017 7.495 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.680 7.360 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.106 8.203 2.134 1.00 0.00 H new ATOM 474 N GLU A1099 5.044 9.951 2.619 1.00 0.00 N ATOM 475 CA GLU A1099 4.228 11.157 2.507 1.00 0.00 C ATOM 476 C GLU A1099 4.837 12.283 3.330 1.00 0.00 C ATOM 477 O GLU A1099 4.986 12.163 4.547 1.00 0.00 O ATOM 478 CB GLU A1099 2.796 10.871 2.970 1.00 0.00 C ATOM 479 CG GLU A1099 1.997 10.038 1.981 1.00 0.00 C ATOM 480 CD GLU A1099 0.702 9.504 2.556 1.00 0.00 C ATOM 481 OE1 GLU A1099 -0.121 10.307 3.036 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.495 8.271 2.507 1.00 0.00 O ATOM 0 H GLU A1099 5.429 9.794 3.550 1.00 0.00 H new ATOM 0 HA GLU A1099 4.201 11.467 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.829 10.352 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.280 11.817 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.774 10.644 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.609 9.201 1.644 1.00 0.00 H new ATOM 489 N GLU A1100 5.200 13.370 2.662 1.00 0.00 N ATOM 490 CA GLU A1100 5.824 14.500 3.333 1.00 0.00 C ATOM 491 C GLU A1100 4.789 15.536 3.723 1.00 0.00 C ATOM 492 O GLU A1100 4.783 16.028 4.850 1.00 0.00 O ATOM 493 CB GLU A1100 6.881 15.143 2.438 1.00 0.00 C ATOM 494 CG GLU A1100 8.123 14.291 2.277 1.00 0.00 C ATOM 495 CD GLU A1100 8.872 14.109 3.580 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.376 13.378 4.462 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.956 14.707 3.738 1.00 0.00 O ATOM 0 H GLU A1100 5.073 13.492 1.657 1.00 0.00 H new ATOM 0 HA GLU A1100 6.304 14.125 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.449 15.334 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.163 16.110 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.842 13.314 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.784 14.752 1.543 1.00 0.00 H new ATOM 504 N ASP A1101 3.918 15.858 2.783 1.00 0.00 N ATOM 505 CA ASP A1101 2.901 16.875 2.999 1.00 0.00 C ATOM 506 C ASP A1101 1.618 16.494 2.260 1.00 0.00 C ATOM 507 O ASP A1101 1.413 15.328 1.935 1.00 0.00 O ATOM 508 CB ASP A1101 3.425 18.243 2.532 1.00 0.00 C ATOM 509 CG ASP A1101 2.567 19.403 3.007 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.649 19.761 4.197 1.00 0.00 O ATOM 511 OD2 ASP A1101 1.785 19.938 2.196 1.00 0.00 O ATOM 0 H ASP A1101 3.894 15.428 1.858 1.00 0.00 H new ATOM 0 HA ASP A1101 2.673 16.942 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.443 18.379 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.472 18.255 1.443 1.00 0.00 H new ATOM 516 N GLN A1102 0.771 17.471 1.983 1.00 0.00 N ATOM 517 CA GLN A1102 -0.519 17.230 1.362 1.00 0.00 C ATOM 518 C GLN A1102 -0.336 16.965 -0.120 1.00 0.00 C ATOM 519 O GLN A1102 -0.888 16.015 -0.674 1.00 0.00 O ATOM 520 CB GLN A1102 -1.404 18.454 1.567 1.00 0.00 C ATOM 521 CG GLN A1102 -1.373 18.968 2.994 1.00 0.00 C ATOM 522 CD GLN A1102 -1.734 20.434 3.088 1.00 0.00 C ATOM 523 OE1 GLN A1102 -2.899 20.793 3.250 1.00 0.00 O ATOM 524 NE2 GLN A1102 -0.731 21.293 2.976 1.00 0.00 N ATOM 0 H GLN A1102 0.959 18.453 2.183 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.989 16.358 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.081 19.247 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -2.430 18.204 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.066 18.386 3.602 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.378 18.814 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A1102 0.221 20.951 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -0.911 22.296 3.023 1.00 0.00 H new ATOM 533 N GLU A1103 0.482 17.797 -0.746 1.00 0.00 N ATOM 534 CA GLU A1103 0.699 17.715 -2.176 1.00 0.00 C ATOM 535 C GLU A1103 2.127 17.311 -2.487 1.00 0.00 C ATOM 536 O GLU A1103 2.594 17.457 -3.614 1.00 0.00 O ATOM 537 CB GLU A1103 0.371 19.045 -2.853 1.00 0.00 C ATOM 538 CG GLU A1103 0.937 20.258 -2.138 1.00 0.00 C ATOM 539 CD GLU A1103 0.769 21.522 -2.950 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.379 21.978 -3.117 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.783 22.058 -3.442 1.00 0.00 O ATOM 0 H GLU A1103 1.007 18.538 -0.281 1.00 0.00 H new ATOM 0 HA GLU A1103 0.030 16.949 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.754 19.026 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.712 19.149 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.440 20.376 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A1103 1.995 20.097 -1.932 1.00 0.00 H new ATOM 548 N TRP A1104 2.812 16.786 -1.490 1.00 0.00 N ATOM 549 CA TRP A1104 4.189 16.353 -1.665 1.00 0.00 C ATOM 550 C TRP A1104 4.412 15.016 -0.992 1.00 0.00 C ATOM 551 O TRP A1104 4.504 14.922 0.234 1.00 0.00 O ATOM 552 CB TRP A1104 5.154 17.410 -1.128 1.00 0.00 C ATOM 553 CG TRP A1104 5.145 18.649 -1.964 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.325 19.729 -1.821 1.00 0.00 C ATOM 555 CD2 TRP A1104 5.977 18.920 -3.093 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.589 20.652 -2.802 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.607 20.182 -3.591 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.000 18.214 -3.728 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.229 20.755 -4.698 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.617 18.781 -4.824 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.230 20.042 -5.302 1.00 0.00 C ATOM 0 H TRP A1104 2.440 16.648 -0.550 1.00 0.00 H new ATOM 0 HA TRP A1104 4.385 16.230 -2.730 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.883 17.662 -0.103 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.163 16.999 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.578 19.842 -1.049 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.107 21.542 -2.924 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.303 17.242 -3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.933 21.726 -5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.411 18.245 -5.322 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.731 20.459 -6.163 1.00 0.00 H new ATOM 572 N TRP A1105 4.477 13.975 -1.805 1.00 0.00 N ATOM 573 CA TRP A1105 4.651 12.623 -1.303 1.00 0.00 C ATOM 574 C TRP A1105 5.979 12.050 -1.785 1.00 0.00 C ATOM 575 O TRP A1105 6.639 12.631 -2.644 1.00 0.00 O ATOM 576 CB TRP A1105 3.492 11.723 -1.757 1.00 0.00 C ATOM 577 CG TRP A1105 2.160 12.101 -1.168 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.912 13.077 -0.247 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.891 11.506 -1.462 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.576 13.129 0.044 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.075 12.173 -0.685 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.476 10.476 -2.309 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.426 11.844 -0.728 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.865 10.151 -2.351 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.801 10.832 -1.566 1.00 0.00 C ATOM 0 H TRP A1105 4.411 14.042 -2.821 1.00 0.00 H new ATOM 0 HA TRP A1105 4.655 12.658 -0.214 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.421 11.759 -2.844 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.718 10.692 -1.487 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.664 13.718 0.190 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.137 13.776 0.699 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.191 9.944 -2.919 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.150 12.368 -0.122 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.198 9.356 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.842 10.552 -1.623 1.00 0.00 H new ATOM 596 N ILE A1106 6.356 10.917 -1.222 1.00 0.00 N ATOM 597 CA ILE A1106 7.596 10.247 -1.569 1.00 0.00 C ATOM 598 C ILE A1106 7.268 8.929 -2.239 1.00 0.00 C ATOM 599 O ILE A1106 6.360 8.220 -1.807 1.00 0.00 O ATOM 600 CB ILE A1106 8.460 9.984 -0.317 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.865 11.300 0.339 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.698 9.172 -0.674 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.513 11.123 1.695 1.00 0.00 C ATOM 0 H ILE A1106 5.809 10.434 -0.509 1.00 0.00 H new ATOM 0 HA ILE A1106 8.163 10.889 -2.243 1.00 0.00 H new ATOM 0 HB ILE A1106 7.863 9.409 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.555 11.828 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.982 11.930 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.291 8.999 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.395 8.215 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.295 9.720 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.775 12.099 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.817 10.623 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.414 10.519 1.591 1.00 0.00 H new ATOM 615 N GLY A1107 7.971 8.616 -3.304 1.00 0.00 N ATOM 616 CA GLY A1107 7.696 7.398 -4.016 1.00 0.00 C ATOM 617 C GLY A1107 8.692 7.133 -5.107 1.00 0.00 C ATOM 618 O GLY A1107 9.583 7.944 -5.350 1.00 0.00 O ATOM 0 H GLY A1107 8.727 9.182 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.698 6.563 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.696 7.450 -4.446 1.00 0.00 H new ATOM 622 N HIS A1108 8.515 6.013 -5.784 1.00 0.00 N ATOM 623 CA HIS A1108 9.462 5.567 -6.800 1.00 0.00 C ATOM 624 C HIS A1108 8.745 5.189 -8.091 1.00 0.00 C ATOM 625 O HIS A1108 7.583 4.783 -8.069 1.00 0.00 O ATOM 626 CB HIS A1108 10.316 4.381 -6.287 1.00 0.00 C ATOM 627 CG HIS A1108 9.584 3.088 -6.014 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.837 2.306 -4.907 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.663 2.406 -6.737 1.00 0.00 C ATOM 630 CE1 HIS A1108 9.108 1.206 -4.971 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.388 1.241 -6.070 1.00 0.00 N ATOM 0 H HIS A1108 7.719 5.389 -5.650 1.00 0.00 H new ATOM 0 HA HIS A1108 10.131 6.401 -7.013 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.097 4.182 -7.020 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.813 4.692 -5.368 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.486 2.540 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.224 2.724 -7.671 1.00 0.00 H new ATOM 0 HE1 HIS A1108 9.104 0.410 -4.241 1.00 0.00 H new ATOM 640 N ILE A1109 9.444 5.331 -9.204 1.00 0.00 N ATOM 641 CA ILE A1109 8.921 4.931 -10.502 1.00 0.00 C ATOM 642 C ILE A1109 8.807 3.411 -10.572 1.00 0.00 C ATOM 643 O ILE A1109 9.749 2.693 -10.234 1.00 0.00 O ATOM 644 CB ILE A1109 9.838 5.440 -11.644 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.847 6.974 -11.688 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.407 4.875 -12.992 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.538 7.581 -12.155 1.00 0.00 C ATOM 0 H ILE A1109 10.385 5.724 -9.235 1.00 0.00 H new ATOM 0 HA ILE A1109 7.933 5.374 -10.625 1.00 0.00 H new ATOM 0 HB ILE A1109 10.850 5.090 -11.438 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.079 7.355 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.647 7.304 -12.351 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.069 5.250 -13.772 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.460 3.787 -12.964 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.384 5.183 -13.205 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.622 8.668 -12.160 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.313 7.230 -13.162 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.737 7.282 -11.479 1.00 0.00 H new ATOM 659 N GLU A1110 7.646 2.924 -10.984 1.00 0.00 N ATOM 660 CA GLU A1110 7.420 1.491 -11.119 1.00 0.00 C ATOM 661 C GLU A1110 8.366 0.883 -12.144 1.00 0.00 C ATOM 662 O GLU A1110 8.344 1.255 -13.318 1.00 0.00 O ATOM 663 CB GLU A1110 5.974 1.214 -11.525 1.00 0.00 C ATOM 664 CG GLU A1110 5.084 0.859 -10.354 1.00 0.00 C ATOM 665 CD GLU A1110 5.526 -0.420 -9.683 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.543 -0.400 -8.962 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.860 -1.452 -9.869 1.00 0.00 O ATOM 0 H GLU A1110 6.843 3.502 -11.232 1.00 0.00 H new ATOM 0 HA GLU A1110 7.614 1.031 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.570 2.093 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.956 0.398 -12.247 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.095 1.673 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.055 0.753 -10.698 1.00 0.00 H new ATOM 674 N GLY A1111 9.202 -0.041 -11.692 1.00 0.00 N ATOM 675 CA GLY A1111 10.154 -0.679 -12.576 1.00 0.00 C ATOM 676 C GLY A1111 11.498 0.012 -12.545 1.00 0.00 C ATOM 677 O GLY A1111 12.515 -0.564 -12.938 1.00 0.00 O ATOM 0 H GLY A1111 9.237 -0.361 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.275 -1.723 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.765 -0.673 -13.594 1.00 0.00 H new ATOM 681 N GLN A1112 11.499 1.240 -12.056 1.00 0.00 N ATOM 682 CA GLN A1112 12.704 2.048 -11.972 1.00 0.00 C ATOM 683 C GLN A1112 12.864 2.538 -10.530 1.00 0.00 C ATOM 684 O GLN A1112 12.660 3.715 -10.233 1.00 0.00 O ATOM 685 CB GLN A1112 12.594 3.233 -12.945 1.00 0.00 C ATOM 686 CG GLN A1112 13.922 3.877 -13.311 1.00 0.00 C ATOM 687 CD GLN A1112 14.766 3.030 -14.252 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.701 1.799 -14.243 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.569 3.686 -15.074 1.00 0.00 N ATOM 0 H GLN A1112 10.662 1.706 -11.705 1.00 0.00 H new ATOM 0 HA GLN A1112 13.579 1.460 -12.248 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.107 2.892 -13.858 1.00 0.00 H new ATOM 0 HB3 GLN A1112 11.947 3.991 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A1112 13.732 4.844 -13.776 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.488 4.068 -12.399 1.00 0.00 H new ATOM 0 HE21 GLN A1112 15.597 4.705 -15.054 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.160 3.172 -15.728 1.00 0.00 H new ATOM 698 N PRO A1113 13.233 1.624 -9.614 1.00 0.00 N ATOM 699 CA PRO A1113 13.179 1.869 -8.166 1.00 0.00 C ATOM 700 C PRO A1113 14.155 2.934 -7.681 1.00 0.00 C ATOM 701 O PRO A1113 13.919 3.572 -6.655 1.00 0.00 O ATOM 702 CB PRO A1113 13.532 0.508 -7.549 1.00 0.00 C ATOM 703 CG PRO A1113 13.415 -0.476 -8.662 1.00 0.00 C ATOM 704 CD PRO A1113 13.742 0.282 -9.912 1.00 0.00 C ATOM 0 HA PRO A1113 12.199 2.252 -7.880 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.540 0.514 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.854 0.259 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.101 -1.311 -8.520 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.410 -0.895 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.813 0.290 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A1113 13.257 -0.151 -10.787 1.00 0.00 H new ATOM 712 N GLU A1114 15.243 3.132 -8.414 1.00 0.00 N ATOM 713 CA GLU A1114 16.242 4.118 -8.027 1.00 0.00 C ATOM 714 C GLU A1114 15.692 5.512 -8.276 1.00 0.00 C ATOM 715 O GLU A1114 16.068 6.477 -7.607 1.00 0.00 O ATOM 716 CB GLU A1114 17.556 3.932 -8.798 1.00 0.00 C ATOM 717 CG GLU A1114 18.167 2.541 -8.691 1.00 0.00 C ATOM 718 CD GLU A1114 17.388 1.490 -9.453 1.00 0.00 C ATOM 719 OE1 GLU A1114 16.992 1.756 -10.605 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.157 0.397 -8.899 1.00 0.00 O ATOM 0 H GLU A1114 15.455 2.626 -9.274 1.00 0.00 H new ATOM 0 HA GLU A1114 16.460 3.982 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.379 4.156 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.281 4.661 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A1114 19.190 2.570 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.221 2.254 -7.641 1.00 0.00 H new ATOM 727 N ARG A1115 14.785 5.599 -9.240 1.00 0.00 N ATOM 728 CA ARG A1115 14.112 6.845 -9.542 1.00 0.00 C ATOM 729 C ARG A1115 13.002 7.098 -8.542 1.00 0.00 C ATOM 730 O ARG A1115 11.844 6.740 -8.771 1.00 0.00 O ATOM 731 CB ARG A1115 13.547 6.828 -10.964 1.00 0.00 C ATOM 732 CG ARG A1115 14.491 7.422 -11.990 1.00 0.00 C ATOM 733 CD ARG A1115 14.685 8.902 -11.730 1.00 0.00 C ATOM 734 NE ARG A1115 15.640 9.509 -12.653 1.00 0.00 N ATOM 735 CZ ARG A1115 16.582 10.383 -12.287 1.00 0.00 C ATOM 736 NH1 ARG A1115 16.717 10.738 -11.010 1.00 0.00 N ATOM 737 NH2 ARG A1115 17.389 10.901 -13.202 1.00 0.00 N ATOM 0 H ARG A1115 14.501 4.814 -9.826 1.00 0.00 H new ATOM 0 HA ARG A1115 14.841 7.652 -9.472 1.00 0.00 H new ATOM 0 HB2 ARG A1115 13.317 5.800 -11.244 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.608 7.381 -10.981 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.452 6.910 -11.950 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.091 7.271 -12.993 1.00 0.00 H new ATOM 0 HD2 ARG A1115 13.726 9.412 -11.817 1.00 0.00 H new ATOM 0 HD3 ARG A1115 15.031 9.046 -10.707 1.00 0.00 H new ATOM 0 HE ARG A1115 15.585 9.250 -13.638 1.00 0.00 H new ATOM 0 HH11 ARG A1115 16.098 10.342 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A1115 17.439 11.406 -10.740 1.00 0.00 H new ATOM 0 HH21 ARG A1115 17.289 10.632 -14.181 1.00 0.00 H new ATOM 0 HH22 ARG A1115 18.110 11.569 -12.927 1.00 0.00 H new ATOM 751 N LYS A1116 13.363 7.709 -7.429 1.00 0.00 N ATOM 752 CA LYS A1116 12.404 8.014 -6.388 1.00 0.00 C ATOM 753 C LYS A1116 12.731 9.330 -5.703 1.00 0.00 C ATOM 754 O LYS A1116 13.773 9.939 -5.967 1.00 0.00 O ATOM 755 CB LYS A1116 12.341 6.874 -5.369 1.00 0.00 C ATOM 756 CG LYS A1116 13.670 6.503 -4.744 1.00 0.00 C ATOM 757 CD LYS A1116 13.504 5.331 -3.793 1.00 0.00 C ATOM 758 CE LYS A1116 14.820 4.941 -3.144 1.00 0.00 C ATOM 759 NZ LYS A1116 15.415 6.063 -2.369 1.00 0.00 N ATOM 0 H LYS A1116 14.318 8.004 -7.224 1.00 0.00 H new ATOM 0 HA LYS A1116 11.424 8.119 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.648 7.154 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.927 5.992 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.386 6.246 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.077 7.360 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.780 5.590 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.099 4.477 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.660 4.089 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.522 4.620 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.733 5.714 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 16.227 6.453 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.702 6.807 -2.232 1.00 0.00 H new ATOM 773 N GLY A1117 11.829 9.766 -4.840 1.00 0.00 N ATOM 774 CA GLY A1117 11.993 11.025 -4.147 1.00 0.00 C ATOM 775 C GLY A1117 10.653 11.673 -3.889 1.00 0.00 C ATOM 776 O GLY A1117 9.634 10.982 -3.853 1.00 0.00 O ATOM 0 H GLY A1117 10.974 9.262 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.511 10.860 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.617 11.693 -4.740 1.00 0.00 H new ATOM 780 N VAL A1118 10.637 12.986 -3.723 1.00 0.00 N ATOM 781 CA VAL A1118 9.382 13.693 -3.524 1.00 0.00 C ATOM 782 C VAL A1118 8.757 14.075 -4.860 1.00 0.00 C ATOM 783 O VAL A1118 9.454 14.471 -5.799 1.00 0.00 O ATOM 784 CB VAL A1118 9.541 14.959 -2.655 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.890 14.586 -1.227 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.591 15.896 -3.227 1.00 0.00 C ATOM 0 H VAL A1118 11.468 13.578 -3.722 1.00 0.00 H new ATOM 0 HA VAL A1118 8.726 13.003 -2.992 1.00 0.00 H new ATOM 0 HB VAL A1118 8.585 15.484 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.998 15.492 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.096 13.968 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.827 14.030 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.678 16.777 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.552 15.383 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.298 16.201 -4.232 1.00 0.00 H new ATOM 796 N PHE A1119 7.444 13.936 -4.945 1.00 0.00 N ATOM 797 CA PHE A1119 6.714 14.291 -6.148 1.00 0.00 C ATOM 798 C PHE A1119 5.407 14.987 -5.789 1.00 0.00 C ATOM 799 O PHE A1119 4.740 14.623 -4.815 1.00 0.00 O ATOM 800 CB PHE A1119 6.458 13.056 -7.025 1.00 0.00 C ATOM 801 CG PHE A1119 5.745 11.914 -6.351 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.449 10.997 -5.589 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.378 11.735 -6.505 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.808 9.932 -4.995 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.736 10.660 -5.916 1.00 0.00 C ATOM 806 CZ PHE A1119 4.456 9.759 -5.160 1.00 0.00 C ATOM 0 H PHE A1119 6.860 13.577 -4.189 1.00 0.00 H new ATOM 0 HA PHE A1119 7.325 14.984 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.874 13.364 -7.892 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.416 12.693 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.514 11.118 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.809 12.442 -7.091 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.371 9.231 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.672 10.527 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.958 8.919 -4.699 1.00 0.00 H new ATOM 816 N PRO A1120 5.054 16.029 -6.555 1.00 0.00 N ATOM 817 CA PRO A1120 3.831 16.797 -6.331 1.00 0.00 C ATOM 818 C PRO A1120 2.576 15.987 -6.651 1.00 0.00 C ATOM 819 O PRO A1120 2.390 15.513 -7.773 1.00 0.00 O ATOM 820 CB PRO A1120 3.967 17.986 -7.283 1.00 0.00 C ATOM 821 CG PRO A1120 4.909 17.531 -8.345 1.00 0.00 C ATOM 822 CD PRO A1120 5.834 16.542 -7.696 1.00 0.00 C ATOM 0 HA PRO A1120 3.721 17.092 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.002 18.264 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.353 18.864 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.369 17.072 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.467 18.373 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.111 15.743 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.759 17.015 -7.368 1.00 0.00 H new ATOM 830 N VAL A1121 1.715 15.844 -5.656 1.00 0.00 N ATOM 831 CA VAL A1121 0.501 15.046 -5.777 1.00 0.00 C ATOM 832 C VAL A1121 -0.497 15.704 -6.732 1.00 0.00 C ATOM 833 O VAL A1121 -1.366 15.042 -7.301 1.00 0.00 O ATOM 834 CB VAL A1121 -0.146 14.840 -4.391 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.294 13.846 -4.453 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.898 14.377 -3.391 1.00 0.00 C ATOM 0 H VAL A1121 1.836 16.277 -4.741 1.00 0.00 H new ATOM 0 HA VAL A1121 0.776 14.074 -6.188 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.554 15.797 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.725 13.726 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.058 14.214 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.923 12.884 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.431 14.235 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.331 13.435 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.683 15.129 -3.310 1.00 0.00 H new ATOM 846 N SER A1122 -0.347 17.004 -6.925 1.00 0.00 N ATOM 847 CA SER A1122 -1.206 17.749 -7.831 1.00 0.00 C ATOM 848 C SER A1122 -0.877 17.417 -9.287 1.00 0.00 C ATOM 849 O SER A1122 -1.628 17.763 -10.202 1.00 0.00 O ATOM 850 CB SER A1122 -1.036 19.243 -7.567 1.00 0.00 C ATOM 851 OG SER A1122 0.328 19.562 -7.323 1.00 0.00 O ATOM 0 H SER A1122 0.366 17.568 -6.463 1.00 0.00 H new ATOM 0 HA SER A1122 -2.244 17.467 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.399 19.812 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.642 19.536 -6.709 1.00 0.00 H new ATOM 0 HG SER A1122 0.414 20.524 -7.158 1.00 0.00 H new ATOM 857 N PHE A1123 0.245 16.731 -9.487 1.00 0.00 N ATOM 858 CA PHE A1123 0.698 16.360 -10.822 1.00 0.00 C ATOM 859 C PHE A1123 0.422 14.890 -11.122 1.00 0.00 C ATOM 860 O PHE A1123 0.732 14.403 -12.213 1.00 0.00 O ATOM 861 CB PHE A1123 2.198 16.627 -10.967 1.00 0.00 C ATOM 862 CG PHE A1123 2.557 18.064 -11.219 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.209 19.061 -10.321 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.254 18.415 -12.362 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.552 20.378 -10.560 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.598 19.727 -12.609 1.00 0.00 C ATOM 867 CZ PHE A1123 3.246 20.712 -11.707 1.00 0.00 C ATOM 0 H PHE A1123 0.860 16.420 -8.735 1.00 0.00 H new ATOM 0 HA PHE A1123 0.141 16.970 -11.534 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.702 16.294 -10.060 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.584 16.021 -11.787 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.664 18.806 -9.424 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.533 17.650 -13.071 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.278 21.145 -9.851 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.142 19.984 -13.506 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.513 21.741 -11.898 1.00 0.00 H new ATOM 877 N VAL A1124 -0.158 14.179 -10.168 1.00 0.00 N ATOM 878 CA VAL A1124 -0.337 12.742 -10.321 1.00 0.00 C ATOM 879 C VAL A1124 -1.796 12.323 -10.165 1.00 0.00 C ATOM 880 O VAL A1124 -2.581 12.977 -9.480 1.00 0.00 O ATOM 881 CB VAL A1124 0.535 11.951 -9.324 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.007 12.264 -9.529 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.124 12.233 -7.888 1.00 0.00 C ATOM 0 H VAL A1124 -0.509 14.565 -9.291 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.018 12.505 -11.336 1.00 0.00 H new ATOM 0 HB VAL A1124 0.378 10.890 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.603 11.695 -8.815 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.299 11.992 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.177 13.330 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.757 11.661 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.237 13.297 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.917 11.944 -7.744 1.00 0.00 H new ATOM 893 N HIS A1125 -2.138 11.228 -10.827 1.00 0.00 N ATOM 894 CA HIS A1125 -3.481 10.667 -10.790 1.00 0.00 C ATOM 895 C HIS A1125 -3.471 9.406 -9.929 1.00 0.00 C ATOM 896 O HIS A1125 -3.028 8.354 -10.373 1.00 0.00 O ATOM 897 CB HIS A1125 -3.917 10.338 -12.220 1.00 0.00 C ATOM 898 CG HIS A1125 -5.389 10.226 -12.426 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.104 11.134 -13.172 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.276 9.289 -12.028 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.363 10.760 -13.229 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.497 9.643 -12.544 1.00 0.00 N ATOM 0 H HIS A1125 -1.488 10.700 -11.409 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.183 11.381 -10.359 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.531 11.109 -12.887 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.452 9.398 -12.517 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.064 8.423 -11.418 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.153 11.280 -13.749 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.367 9.125 -12.418 1.00 0.00 H new ATOM 911 N ILE A1126 -3.956 9.517 -8.707 1.00 0.00 N ATOM 912 CA ILE A1126 -3.799 8.458 -7.711 1.00 0.00 C ATOM 913 C ILE A1126 -4.594 7.201 -8.056 1.00 0.00 C ATOM 914 O ILE A1126 -5.721 7.269 -8.549 1.00 0.00 O ATOM 915 CB ILE A1126 -4.214 8.962 -6.318 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.393 10.203 -5.966 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.035 7.870 -5.268 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.733 10.798 -4.627 1.00 0.00 C ATOM 0 H ILE A1126 -4.467 10.334 -8.372 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.743 8.189 -7.709 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.271 9.227 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.335 9.942 -5.979 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.545 10.958 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.335 8.251 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.653 7.011 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.989 7.567 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.109 11.674 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.783 11.092 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.554 10.060 -3.845 1.00 0.00 H new ATOM 930 N LEU A1127 -3.983 6.052 -7.780 1.00 0.00 N ATOM 931 CA LEU A1127 -4.605 4.763 -8.017 1.00 0.00 C ATOM 932 C LEU A1127 -4.985 4.118 -6.700 1.00 0.00 C ATOM 933 O LEU A1127 -4.117 3.729 -5.918 1.00 0.00 O ATOM 934 CB LEU A1127 -3.650 3.815 -8.754 1.00 0.00 C ATOM 935 CG LEU A1127 -2.813 4.450 -9.858 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.936 3.404 -10.531 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.705 5.141 -10.880 1.00 0.00 C ATOM 0 H LEU A1127 -3.044 5.994 -7.386 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.491 4.935 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.976 3.367 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.235 3.004 -9.187 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.166 5.203 -9.407 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.345 3.875 -11.317 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.269 2.959 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.565 2.627 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.087 5.588 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.380 4.411 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.287 5.920 -10.387 1.00 0.00 H new