USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 635 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+ -165:sc= 0.33 (180deg=0.0457) USER MOD Single : A1074 THR OG1 : rot 139:sc= 1.77 USER MOD Single : A1076 TYR OH : rot -28:sc= -1.29 USER MOD Single : A1078 CYS SG : rot 109:sc= -0.342 USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1082 ASN : amide:sc= -0.0205 K(o=-0.02,f=-3.2!) USER MOD Single : A1087 THR OG1 : rot 170:sc= 0.787 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1112 GLN : amide:sc= 1.16 K(o=1.2,f=-0.17) USER MOD Single : A1116 LYS NZ :NH3+ 170:sc=-0.00114 (180deg=-0.141) USER MOD Single : A1122 SER OG : rot -123:sc= 1.09 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot -40:sc= 0.435 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl -168:sc= -1.24 (180deg=-1.47!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -170:sc= 2.49 (180deg=2.38) USER MOD Single : B1587 SER OG : rot 148:sc= 1.24 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0913) USER MOD Single : B1592 LYS NZ :NH3+ 178:sc= -0.173 (180deg=-0.267) USER MOD Single : B1593 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.2) USER MOD Single : B1596 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 0.313 -0.463 -1.418 1.00 0.00 N ATOM 2 CA VAL A1069 1.052 -0.276 -0.148 1.00 0.00 C ATOM 3 C VAL A1069 2.392 0.414 -0.384 1.00 0.00 C ATOM 4 O VAL A1069 3.285 -0.130 -1.036 1.00 0.00 O ATOM 5 CB VAL A1069 1.282 -1.613 0.594 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.005 -2.063 1.284 1.00 0.00 C ATOM 7 CG2 VAL A1069 1.772 -2.691 -0.361 1.00 0.00 C ATOM 0 HA VAL A1069 0.428 0.360 0.480 1.00 0.00 H new ATOM 0 HB VAL A1069 2.052 -1.451 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A1069 0.184 -3.005 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.305 -1.306 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -0.781 -2.200 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A1069 1.926 -3.620 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A1069 1.029 -2.849 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A1069 2.713 -2.377 -0.813 1.00 0.00 H new ATOM 19 N ARG A1070 2.515 1.629 0.125 1.00 0.00 N ATOM 20 CA ARG A1070 3.765 2.369 0.053 1.00 0.00 C ATOM 21 C ARG A1070 4.348 2.508 1.450 1.00 0.00 C ATOM 22 O ARG A1070 3.610 2.669 2.414 1.00 0.00 O ATOM 23 CB ARG A1070 3.535 3.747 -0.578 1.00 0.00 C ATOM 24 CG ARG A1070 4.798 4.590 -0.684 1.00 0.00 C ATOM 25 CD ARG A1070 4.562 5.847 -1.507 1.00 0.00 C ATOM 26 NE ARG A1070 4.147 5.532 -2.870 1.00 0.00 N ATOM 27 CZ ARG A1070 4.924 5.680 -3.940 1.00 0.00 C ATOM 28 NH1 ARG A1070 6.154 6.163 -3.809 1.00 0.00 N ATOM 29 NH2 ARG A1070 4.462 5.349 -5.137 1.00 0.00 N ATOM 0 H ARG A1070 1.759 2.127 0.596 1.00 0.00 H new ATOM 0 HA ARG A1070 4.471 1.826 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.112 3.615 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.796 4.288 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.137 4.866 0.314 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.593 4.000 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.798 6.458 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A1070 5.475 6.441 -1.533 1.00 0.00 H new ATOM 0 HE ARG A1070 3.202 5.176 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A1070 6.505 6.421 -2.887 1.00 0.00 H new ATOM 0 HH12 ARG A1070 6.748 6.276 -4.631 1.00 0.00 H new ATOM 0 HH21 ARG A1070 3.515 4.983 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A1070 5.053 5.460 -5.961 1.00 0.00 H new ATOM 43 N ARG A1071 5.661 2.436 1.567 1.00 0.00 N ATOM 44 CA ARG A1071 6.293 2.474 2.873 1.00 0.00 C ATOM 45 C ARG A1071 7.204 3.688 3.004 1.00 0.00 C ATOM 46 O ARG A1071 8.033 3.956 2.135 1.00 0.00 O ATOM 47 CB ARG A1071 7.065 1.176 3.109 1.00 0.00 C ATOM 48 CG ARG A1071 7.739 1.092 4.465 1.00 0.00 C ATOM 49 CD ARG A1071 8.130 -0.340 4.779 1.00 0.00 C ATOM 50 NE ARG A1071 8.873 -0.446 6.032 1.00 0.00 N ATOM 51 CZ ARG A1071 8.552 -1.282 7.014 1.00 0.00 C ATOM 52 NH1 ARG A1071 7.548 -2.133 6.864 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.259 -1.282 8.139 1.00 0.00 N ATOM 0 H ARG A1071 6.306 2.352 0.781 1.00 0.00 H new ATOM 0 HA ARG A1071 5.520 2.565 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.380 0.335 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.822 1.070 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A1071 8.625 1.727 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A1071 7.066 1.468 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.232 -0.956 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.736 -0.737 3.964 1.00 0.00 H new ATOM 0 HE ARG A1071 9.686 0.157 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A1071 7.018 -2.148 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A1071 7.305 -2.773 7.620 1.00 0.00 H new ATOM 0 HH21 ARG A1071 10.046 -0.642 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A1071 9.015 -1.922 8.895 1.00 0.00 H new ATOM 67 N VAL A1072 7.015 4.436 4.080 1.00 0.00 N ATOM 68 CA VAL A1072 7.844 5.598 4.364 1.00 0.00 C ATOM 69 C VAL A1072 8.349 5.531 5.801 1.00 0.00 C ATOM 70 O VAL A1072 7.762 4.846 6.641 1.00 0.00 O ATOM 71 CB VAL A1072 7.072 6.926 4.155 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.463 6.984 2.762 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.990 7.106 5.213 1.00 0.00 C ATOM 0 H VAL A1072 6.290 4.258 4.775 1.00 0.00 H new ATOM 0 HA VAL A1072 8.682 5.582 3.667 1.00 0.00 H new ATOM 0 HB VAL A1072 7.786 7.743 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.926 7.925 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.255 6.917 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.771 6.152 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.466 8.046 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.282 6.279 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.447 7.122 6.202 1.00 0.00 H new ATOM 83 N LYS A1073 9.435 6.229 6.078 1.00 0.00 N ATOM 84 CA LYS A1073 9.995 6.258 7.420 1.00 0.00 C ATOM 85 C LYS A1073 10.076 7.696 7.890 1.00 0.00 C ATOM 86 O LYS A1073 10.473 8.584 7.131 1.00 0.00 O ATOM 87 CB LYS A1073 11.382 5.602 7.435 1.00 0.00 C ATOM 88 CG LYS A1073 11.823 5.049 8.790 1.00 0.00 C ATOM 89 CD LYS A1073 12.329 6.126 9.743 1.00 0.00 C ATOM 90 CE LYS A1073 13.599 6.791 9.231 1.00 0.00 C ATOM 91 NZ LYS A1073 14.183 7.721 10.236 1.00 0.00 N ATOM 0 H LYS A1073 9.948 6.784 5.393 1.00 0.00 H new ATOM 0 HA LYS A1073 9.352 5.695 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.390 4.790 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.117 6.335 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.985 4.528 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.610 4.311 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.555 6.881 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.520 5.684 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.332 6.026 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.378 7.339 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.883 8.336 9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.428 8.305 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.647 7.173 10.988 1.00 0.00 H new ATOM 105 N THR A1074 9.685 7.925 9.125 1.00 0.00 N ATOM 106 CA THR A1074 9.683 9.255 9.686 1.00 0.00 C ATOM 107 C THR A1074 11.104 9.693 10.007 1.00 0.00 C ATOM 108 O THR A1074 11.800 9.072 10.816 1.00 0.00 O ATOM 109 CB THR A1074 8.814 9.306 10.951 1.00 0.00 C ATOM 110 OG1 THR A1074 9.392 8.488 11.962 1.00 0.00 O ATOM 111 CG2 THR A1074 7.411 8.803 10.656 1.00 0.00 C ATOM 0 H THR A1074 9.362 7.198 9.764 1.00 0.00 H new ATOM 0 HA THR A1074 9.262 9.939 8.949 1.00 0.00 H new ATOM 0 HB THR A1074 8.760 10.341 11.290 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.330 8.944 12.827 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.810 8.847 11.564 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.954 9.428 9.889 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.460 7.773 10.303 1.00 0.00 H new ATOM 119 N ILE A1075 11.544 10.745 9.350 1.00 0.00 N ATOM 120 CA ILE A1075 12.894 11.236 9.538 1.00 0.00 C ATOM 121 C ILE A1075 12.895 12.401 10.505 1.00 0.00 C ATOM 122 O ILE A1075 13.937 12.986 10.811 1.00 0.00 O ATOM 123 CB ILE A1075 13.528 11.664 8.206 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.586 12.566 7.408 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.908 10.443 7.387 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.204 13.125 6.141 1.00 0.00 C ATOM 0 H ILE A1075 10.987 11.277 8.681 1.00 0.00 H new ATOM 0 HA ILE A1075 13.490 10.421 9.950 1.00 0.00 H new ATOM 0 HB ILE A1075 14.429 12.234 8.431 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.691 12.001 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.267 13.394 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.356 10.761 6.446 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.625 9.840 7.944 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.016 9.850 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.477 13.755 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.082 13.718 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.498 12.304 5.487 1.00 0.00 H new ATOM 138 N TYR A1076 11.706 12.720 10.975 1.00 0.00 N ATOM 139 CA TYR A1076 11.504 13.800 11.916 1.00 0.00 C ATOM 140 C TYR A1076 10.425 13.447 12.922 1.00 0.00 C ATOM 141 O TYR A1076 9.743 12.431 12.792 1.00 0.00 O ATOM 142 CB TYR A1076 11.084 15.067 11.182 1.00 0.00 C ATOM 143 CG TYR A1076 12.158 15.688 10.327 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.131 16.487 10.895 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.179 15.505 8.950 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.087 17.094 10.119 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.141 16.102 8.167 1.00 0.00 C ATOM 148 CZ TYR A1076 14.087 16.901 8.753 1.00 0.00 C ATOM 149 OH TYR A1076 15.034 17.516 7.973 1.00 0.00 O ATOM 0 H TYR A1076 10.849 12.234 10.713 1.00 0.00 H new ATOM 0 HA TYR A1076 12.447 13.964 12.438 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.225 14.837 10.551 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.753 15.802 11.916 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.140 16.636 11.965 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.428 14.884 8.486 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.837 17.721 10.577 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.150 15.942 7.099 1.00 0.00 H new ATOM 0 HH TYR A1076 15.318 18.351 8.400 1.00 0.00 H new ATOM 159 N ASP A1077 10.273 14.313 13.911 1.00 0.00 N ATOM 160 CA ASP A1077 9.214 14.197 14.889 1.00 0.00 C ATOM 161 C ASP A1077 8.171 15.242 14.549 1.00 0.00 C ATOM 162 O ASP A1077 8.495 16.415 14.371 1.00 0.00 O ATOM 163 CB ASP A1077 9.758 14.441 16.295 1.00 0.00 C ATOM 164 CG ASP A1077 8.934 13.794 17.388 1.00 0.00 C ATOM 165 OD1 ASP A1077 7.783 14.218 17.608 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.456 12.869 18.055 1.00 0.00 O ATOM 0 H ASP A1077 10.884 15.117 14.055 1.00 0.00 H new ATOM 0 HA ASP A1077 8.783 13.196 14.867 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.779 14.063 16.350 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.805 15.515 16.475 1.00 0.00 H new ATOM 171 N CYS A1078 6.943 14.823 14.429 1.00 0.00 N ATOM 172 CA CYS A1078 5.888 15.700 13.963 1.00 0.00 C ATOM 173 C CYS A1078 4.617 15.463 14.741 1.00 0.00 C ATOM 174 O CYS A1078 4.328 14.343 15.153 1.00 0.00 O ATOM 175 CB CYS A1078 5.630 15.482 12.475 1.00 0.00 C ATOM 176 SG CYS A1078 4.246 16.438 11.807 1.00 0.00 S ATOM 0 H CYS A1078 6.639 13.874 14.647 1.00 0.00 H new ATOM 0 HA CYS A1078 6.210 16.729 14.120 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.533 15.738 11.921 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.440 14.423 12.303 1.00 0.00 H new ATOM 0 HG CYS A1078 4.701 17.378 11.033 1.00 0.00 H new ATOM 182 N GLN A1079 3.850 16.516 14.920 1.00 0.00 N ATOM 183 CA GLN A1079 2.613 16.413 15.669 1.00 0.00 C ATOM 184 C GLN A1079 1.475 17.103 14.935 1.00 0.00 C ATOM 185 O GLN A1079 1.681 18.065 14.191 1.00 0.00 O ATOM 186 CB GLN A1079 2.805 16.998 17.066 1.00 0.00 C ATOM 187 CG GLN A1079 1.605 16.839 17.982 1.00 0.00 C ATOM 188 CD GLN A1079 1.895 17.317 19.389 1.00 0.00 C ATOM 189 OE1 GLN A1079 2.367 16.553 20.231 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.621 18.582 19.651 1.00 0.00 N ATOM 0 H GLN A1079 4.057 17.448 14.561 1.00 0.00 H new ATOM 0 HA GLN A1079 2.346 15.361 15.767 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.668 16.521 17.531 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.038 18.059 16.974 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.763 17.399 17.576 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.307 15.791 18.010 1.00 0.00 H new ATOM 0 HE21 GLN A1079 1.230 19.181 18.923 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.800 18.961 20.581 1.00 0.00 H new ATOM 199 N ALA A1080 0.284 16.563 15.129 1.00 0.00 N ATOM 200 CA ALA A1080 -0.930 17.073 14.511 1.00 0.00 C ATOM 201 C ALA A1080 -1.217 18.518 14.912 1.00 0.00 C ATOM 202 O ALA A1080 -1.135 18.879 16.087 1.00 0.00 O ATOM 203 CB ALA A1080 -2.100 16.190 14.907 1.00 0.00 C ATOM 0 H ALA A1080 0.130 15.750 15.726 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.789 17.057 13.430 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.013 16.568 14.447 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.917 15.170 14.568 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.211 16.197 15.991 1.00 0.00 H new ATOM 209 N ASP A1081 -1.548 19.338 13.921 1.00 0.00 N ATOM 210 CA ASP A1081 -1.986 20.709 14.167 1.00 0.00 C ATOM 211 C ASP A1081 -3.480 20.698 14.439 1.00 0.00 C ATOM 212 O ASP A1081 -3.959 21.279 15.415 1.00 0.00 O ATOM 213 CB ASP A1081 -1.679 21.602 12.962 1.00 0.00 C ATOM 214 CG ASP A1081 -2.072 23.051 13.180 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.253 23.818 13.730 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.189 23.436 12.778 1.00 0.00 O ATOM 0 H ASP A1081 -1.521 19.077 12.935 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.451 21.111 15.027 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.613 21.550 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.205 21.217 12.088 1.00 0.00 H new ATOM 221 N ASN A1082 -4.209 20.015 13.570 1.00 0.00 N ATOM 222 CA ASN A1082 -5.632 19.801 13.763 1.00 0.00 C ATOM 223 C ASN A1082 -5.855 18.374 14.257 1.00 0.00 C ATOM 224 O ASN A1082 -4.890 17.639 14.453 1.00 0.00 O ATOM 225 CB ASN A1082 -6.401 20.049 12.458 1.00 0.00 C ATOM 226 CG ASN A1082 -7.869 20.355 12.695 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.707 19.455 12.732 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.184 21.629 12.858 1.00 0.00 N ATOM 0 H ASN A1082 -3.834 19.597 12.719 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.007 20.506 14.505 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.942 20.880 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.315 19.171 11.818 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.154 21.897 13.022 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.457 22.343 12.820 1.00 0.00 H new ATOM 235 N ASP A1083 -7.101 17.968 14.443 1.00 0.00 N ATOM 236 CA ASP A1083 -7.384 16.648 14.999 1.00 0.00 C ATOM 237 C ASP A1083 -7.092 15.548 13.977 1.00 0.00 C ATOM 238 O ASP A1083 -6.585 14.480 14.327 1.00 0.00 O ATOM 239 CB ASP A1083 -8.840 16.565 15.466 1.00 0.00 C ATOM 240 CG ASP A1083 -9.129 15.302 16.253 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.511 14.284 15.641 1.00 0.00 O ATOM 242 OD2 ASP A1083 -8.981 15.323 17.492 1.00 0.00 O ATOM 0 H ASP A1083 -7.927 18.524 14.221 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.730 16.497 15.858 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.070 17.434 16.083 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.499 16.607 14.599 1.00 0.00 H new ATOM 247 N ASP A1084 -7.371 15.828 12.705 1.00 0.00 N ATOM 248 CA ASP A1084 -7.209 14.837 11.643 1.00 0.00 C ATOM 249 C ASP A1084 -5.829 14.966 11.013 1.00 0.00 C ATOM 250 O ASP A1084 -5.686 15.135 9.804 1.00 0.00 O ATOM 251 CB ASP A1084 -8.305 15.003 10.579 1.00 0.00 C ATOM 252 CG ASP A1084 -8.287 13.908 9.522 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.376 12.716 9.895 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.211 14.239 8.316 1.00 0.00 O ATOM 0 H ASP A1084 -7.711 16.735 12.385 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.303 13.842 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.279 15.010 11.068 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.186 15.971 10.092 1.00 0.00 H new ATOM 259 N GLU A1085 -4.814 14.927 11.858 1.00 0.00 N ATOM 260 CA GLU A1085 -3.437 14.923 11.404 1.00 0.00 C ATOM 261 C GLU A1085 -2.662 13.845 12.150 1.00 0.00 C ATOM 262 O GLU A1085 -3.030 13.467 13.264 1.00 0.00 O ATOM 263 CB GLU A1085 -2.782 16.293 11.609 1.00 0.00 C ATOM 264 CG GLU A1085 -3.197 17.333 10.581 1.00 0.00 C ATOM 265 CD GLU A1085 -2.633 18.706 10.876 1.00 0.00 C ATOM 266 OE1 GLU A1085 -1.417 18.812 11.162 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.412 19.687 10.839 1.00 0.00 O ATOM 0 H GLU A1085 -4.921 14.897 12.872 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.422 14.707 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.033 16.660 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.699 16.176 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -2.865 17.013 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.285 17.391 10.549 1.00 0.00 H new ATOM 274 N LEU A1086 -1.609 13.338 11.534 1.00 0.00 N ATOM 275 CA LEU A1086 -0.837 12.256 12.123 1.00 0.00 C ATOM 276 C LEU A1086 0.313 12.794 12.967 1.00 0.00 C ATOM 277 O LEU A1086 1.139 13.571 12.486 1.00 0.00 O ATOM 278 CB LEU A1086 -0.281 11.345 11.028 1.00 0.00 C ATOM 279 CG LEU A1086 0.292 10.012 11.520 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.828 9.059 11.893 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.188 9.384 10.470 1.00 0.00 C ATOM 0 H LEU A1086 -1.268 13.657 10.627 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.505 11.686 12.769 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.075 11.139 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.501 11.883 10.492 1.00 0.00 H new ATOM 0 HG LEU A1086 0.894 10.211 12.407 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.404 8.117 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.432 9.500 12.687 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.455 8.875 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.581 8.439 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.613 9.203 9.562 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.015 10.058 10.247 1.00 0.00 H new ATOM 293 N THR A1087 0.352 12.390 14.227 1.00 0.00 N ATOM 294 CA THR A1087 1.497 12.660 15.075 1.00 0.00 C ATOM 295 C THR A1087 2.442 11.461 15.039 1.00 0.00 C ATOM 296 O THR A1087 2.075 10.356 15.442 1.00 0.00 O ATOM 297 CB THR A1087 1.075 12.961 16.530 1.00 0.00 C ATOM 298 OG1 THR A1087 0.174 14.082 16.557 1.00 0.00 O ATOM 299 CG2 THR A1087 2.286 13.258 17.402 1.00 0.00 C ATOM 0 H THR A1087 -0.399 11.873 14.684 1.00 0.00 H new ATOM 0 HA THR A1087 2.004 13.547 14.694 1.00 0.00 H new ATOM 0 HB THR A1087 0.574 12.078 16.927 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.215 14.168 17.453 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.959 13.466 18.421 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.953 12.396 17.404 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.815 14.125 17.007 1.00 0.00 H new ATOM 307 N PHE A1088 3.644 11.682 14.536 1.00 0.00 N ATOM 308 CA PHE A1088 4.614 10.610 14.354 1.00 0.00 C ATOM 309 C PHE A1088 5.995 11.064 14.800 1.00 0.00 C ATOM 310 O PHE A1088 6.362 12.221 14.619 1.00 0.00 O ATOM 311 CB PHE A1088 4.642 10.143 12.889 1.00 0.00 C ATOM 312 CG PHE A1088 4.806 11.253 11.879 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.699 11.903 11.365 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.063 11.636 11.437 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.841 12.912 10.436 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.209 12.645 10.506 1.00 0.00 C ATOM 317 CZ PHE A1088 5.097 13.282 10.004 1.00 0.00 C ATOM 0 H PHE A1088 3.976 12.601 14.243 1.00 0.00 H new ATOM 0 HA PHE A1088 4.312 9.765 14.972 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.458 9.432 12.764 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.717 9.608 12.674 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.711 11.617 11.695 1.00 0.00 H new ATOM 0 HD2 PHE A1088 6.939 11.139 11.826 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.967 13.413 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.195 12.934 10.172 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.208 14.070 9.274 1.00 0.00 H new ATOM 327 N ILE A1089 6.756 10.150 15.380 1.00 0.00 N ATOM 328 CA ILE A1089 8.060 10.497 15.935 1.00 0.00 C ATOM 329 C ILE A1089 9.176 9.896 15.100 1.00 0.00 C ATOM 330 O ILE A1089 8.966 8.911 14.399 1.00 0.00 O ATOM 331 CB ILE A1089 8.218 10.050 17.410 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.329 8.516 17.555 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.070 10.594 18.245 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.114 7.739 17.089 1.00 0.00 C ATOM 0 H ILE A1089 6.498 9.168 15.480 1.00 0.00 H new ATOM 0 HA ILE A1089 8.127 11.585 15.910 1.00 0.00 H new ATOM 0 HB ILE A1089 9.156 10.464 17.779 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.198 8.175 16.992 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.514 8.278 18.602 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.190 10.275 19.280 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.071 11.683 18.199 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.125 10.215 17.855 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.288 6.672 17.231 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.243 8.045 17.668 1.00 0.00 H new ATOM 0 HD13 ILE A1089 6.937 7.940 16.033 1.00 0.00 H new ATOM 346 N GLU A1090 10.354 10.497 15.184 1.00 0.00 N ATOM 347 CA GLU A1090 11.498 10.081 14.384 1.00 0.00 C ATOM 348 C GLU A1090 11.855 8.625 14.682 1.00 0.00 C ATOM 349 O GLU A1090 12.080 8.257 15.836 1.00 0.00 O ATOM 350 CB GLU A1090 12.688 11.001 14.676 1.00 0.00 C ATOM 351 CG GLU A1090 13.782 10.965 13.618 1.00 0.00 C ATOM 352 CD GLU A1090 14.557 9.665 13.589 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.286 9.379 14.561 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.450 8.927 12.590 1.00 0.00 O ATOM 0 H GLU A1090 10.544 11.283 15.805 1.00 0.00 H new ATOM 0 HA GLU A1090 11.244 10.156 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.326 12.025 14.773 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.120 10.723 15.638 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.334 11.133 12.639 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.475 11.787 13.796 1.00 0.00 H new ATOM 361 N GLY A1091 11.895 7.802 13.641 1.00 0.00 N ATOM 362 CA GLY A1091 12.206 6.396 13.821 1.00 0.00 C ATOM 363 C GLY A1091 10.991 5.524 13.606 1.00 0.00 C ATOM 364 O GLY A1091 11.061 4.296 13.695 1.00 0.00 O ATOM 0 H GLY A1091 11.718 8.082 12.676 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.991 6.105 13.124 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.596 6.235 14.826 1.00 0.00 H new ATOM 368 N GLU A1092 9.874 6.169 13.326 1.00 0.00 N ATOM 369 CA GLU A1092 8.613 5.483 13.112 1.00 0.00 C ATOM 370 C GLU A1092 8.438 5.171 11.629 1.00 0.00 C ATOM 371 O GLU A1092 9.099 5.766 10.775 1.00 0.00 O ATOM 372 CB GLU A1092 7.463 6.356 13.611 1.00 0.00 C ATOM 373 CG GLU A1092 6.196 5.596 13.949 1.00 0.00 C ATOM 374 CD GLU A1092 6.470 4.348 14.766 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.724 3.284 14.158 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.444 4.429 16.010 1.00 0.00 O ATOM 0 H GLU A1092 9.815 7.184 13.240 1.00 0.00 H new ATOM 0 HA GLU A1092 8.612 4.546 13.668 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.793 6.898 14.497 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.232 7.101 12.849 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.521 6.249 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.685 5.318 13.027 1.00 0.00 H new ATOM 383 N VAL A1093 7.553 4.241 11.326 1.00 0.00 N ATOM 384 CA VAL A1093 7.334 3.814 9.950 1.00 0.00 C ATOM 385 C VAL A1093 5.854 3.915 9.611 1.00 0.00 C ATOM 386 O VAL A1093 5.004 3.588 10.436 1.00 0.00 O ATOM 387 CB VAL A1093 7.817 2.364 9.707 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.676 1.982 8.238 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.257 2.189 10.165 1.00 0.00 C ATOM 0 H VAL A1093 6.971 3.763 12.014 1.00 0.00 H new ATOM 0 HA VAL A1093 7.916 4.473 9.306 1.00 0.00 H new ATOM 0 HB VAL A1093 7.186 1.699 10.296 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.022 0.959 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.630 2.057 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.275 2.657 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.574 1.162 9.984 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.901 2.871 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.329 2.409 11.230 1.00 0.00 H new ATOM 399 N ILE A1094 5.546 4.375 8.408 1.00 0.00 N ATOM 400 CA ILE A1094 4.159 4.568 8.011 1.00 0.00 C ATOM 401 C ILE A1094 3.863 3.853 6.701 1.00 0.00 C ATOM 402 O ILE A1094 4.656 3.903 5.755 1.00 0.00 O ATOM 403 CB ILE A1094 3.814 6.066 7.847 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.367 6.883 9.020 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.301 6.247 7.744 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.188 8.375 8.860 1.00 0.00 C ATOM 0 H ILE A1094 6.232 4.620 7.694 1.00 0.00 H new ATOM 0 HA ILE A1094 3.545 4.148 8.808 1.00 0.00 H new ATOM 0 HB ILE A1094 4.278 6.428 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.874 6.563 9.938 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.428 6.664 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.068 7.306 7.629 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.927 5.697 6.881 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.827 5.868 8.649 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.603 8.886 9.728 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.705 8.709 7.960 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.126 8.607 8.776 1.00 0.00 H new ATOM 418 N ILE A1095 2.727 3.176 6.661 1.00 0.00 N ATOM 419 CA ILE A1095 2.228 2.582 5.434 1.00 0.00 C ATOM 420 C ILE A1095 1.257 3.553 4.770 1.00 0.00 C ATOM 421 O ILE A1095 0.181 3.830 5.305 1.00 0.00 O ATOM 422 CB ILE A1095 1.516 1.233 5.691 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.506 0.197 6.225 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.844 0.721 4.422 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.638 -0.112 5.268 1.00 0.00 C ATOM 0 H ILE A1095 2.129 3.024 7.473 1.00 0.00 H new ATOM 0 HA ILE A1095 3.080 2.386 4.783 1.00 0.00 H new ATOM 0 HB ILE A1095 0.744 1.397 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.924 0.558 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.969 -0.725 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.351 -0.229 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.105 1.447 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.595 0.578 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.300 -0.854 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.230 -0.503 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.200 0.799 5.064 1.00 0.00 H new ATOM 437 N VAL A1096 1.656 4.086 3.628 1.00 0.00 N ATOM 438 CA VAL A1096 0.845 5.047 2.898 1.00 0.00 C ATOM 439 C VAL A1096 -0.289 4.338 2.169 1.00 0.00 C ATOM 440 O VAL A1096 -0.054 3.522 1.274 1.00 0.00 O ATOM 441 CB VAL A1096 1.690 5.837 1.875 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.859 6.916 1.197 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.914 6.443 2.542 1.00 0.00 C ATOM 0 H VAL A1096 2.547 3.867 3.182 1.00 0.00 H new ATOM 0 HA VAL A1096 0.435 5.747 3.626 1.00 0.00 H new ATOM 0 HB VAL A1096 2.027 5.140 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.479 7.457 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.020 6.455 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.482 7.610 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.495 6.995 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.598 7.121 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.528 5.649 2.966 1.00 0.00 H new ATOM 453 N THR A1097 -1.512 4.642 2.567 1.00 0.00 N ATOM 454 CA THR A1097 -2.682 4.046 1.956 1.00 0.00 C ATOM 455 C THR A1097 -3.304 4.994 0.941 1.00 0.00 C ATOM 456 O THR A1097 -4.036 4.572 0.047 1.00 0.00 O ATOM 457 CB THR A1097 -3.726 3.668 3.021 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.923 4.759 3.934 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.287 2.431 3.790 1.00 0.00 C ATOM 0 H THR A1097 -1.719 5.303 3.316 1.00 0.00 H new ATOM 0 HA THR A1097 -2.361 3.140 1.442 1.00 0.00 H new ATOM 0 HB THR A1097 -4.665 3.450 2.513 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.590 4.507 4.606 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.040 2.181 4.538 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.170 1.596 3.100 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.336 2.628 4.284 1.00 0.00 H new ATOM 467 N GLY A1098 -3.001 6.277 1.078 1.00 0.00 N ATOM 468 CA GLY A1098 -3.547 7.261 0.175 1.00 0.00 C ATOM 469 C GLY A1098 -2.808 8.578 0.236 1.00 0.00 C ATOM 470 O GLY A1098 -1.821 8.717 0.958 1.00 0.00 O ATOM 0 H GLY A1098 -2.386 6.651 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.510 6.874 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.597 7.426 0.415 1.00 0.00 H new ATOM 474 N GLU A1099 -3.300 9.549 -0.508 1.00 0.00 N ATOM 475 CA GLU A1099 -2.699 10.865 -0.582 1.00 0.00 C ATOM 476 C GLU A1099 -3.798 11.910 -0.504 1.00 0.00 C ATOM 477 O GLU A1099 -4.855 11.749 -1.109 1.00 0.00 O ATOM 478 CB GLU A1099 -1.921 11.022 -1.892 1.00 0.00 C ATOM 479 CG GLU A1099 -0.706 10.115 -1.999 1.00 0.00 C ATOM 480 CD GLU A1099 -0.100 10.120 -3.384 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.422 11.171 -3.811 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.134 9.067 -4.053 1.00 0.00 O ATOM 0 H GLU A1099 -4.136 9.445 -1.083 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.004 10.995 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.590 10.817 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.598 12.059 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.045 10.433 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.992 9.097 -1.735 1.00 0.00 H new ATOM 489 N GLU A1100 -3.561 12.968 0.245 1.00 0.00 N ATOM 490 CA GLU A1100 -4.571 14.003 0.413 1.00 0.00 C ATOM 491 C GLU A1100 -4.074 15.298 -0.206 1.00 0.00 C ATOM 492 O GLU A1100 -4.848 16.115 -0.711 1.00 0.00 O ATOM 493 CB GLU A1100 -4.888 14.192 1.898 1.00 0.00 C ATOM 494 CG GLU A1100 -6.139 15.013 2.159 1.00 0.00 C ATOM 495 CD GLU A1100 -6.466 15.125 3.634 1.00 0.00 C ATOM 496 OE1 GLU A1100 -5.927 16.035 4.292 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.268 14.309 4.139 1.00 0.00 O ATOM 0 H GLU A1100 -2.688 13.137 0.744 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.489 13.704 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.004 13.213 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.040 14.676 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.007 16.012 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.982 14.560 1.637 1.00 0.00 H new ATOM 504 N ASP A1101 -2.768 15.457 -0.178 1.00 0.00 N ATOM 505 CA ASP A1101 -2.110 16.599 -0.770 1.00 0.00 C ATOM 506 C ASP A1101 -0.763 16.153 -1.328 1.00 0.00 C ATOM 507 O ASP A1101 -0.417 14.976 -1.224 1.00 0.00 O ATOM 508 CB ASP A1101 -1.933 17.699 0.285 1.00 0.00 C ATOM 509 CG ASP A1101 -1.381 18.987 -0.283 1.00 0.00 C ATOM 510 OD1 ASP A1101 -2.147 19.731 -0.920 1.00 0.00 O ATOM 511 OD2 ASP A1101 -0.175 19.246 -0.102 1.00 0.00 O ATOM 0 H ASP A1101 -2.130 14.792 0.259 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.713 17.005 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.895 17.900 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -1.265 17.339 1.067 1.00 0.00 H new ATOM 516 N GLN A1102 -0.016 17.067 -1.918 1.00 0.00 N ATOM 517 CA GLN A1102 1.313 16.761 -2.417 1.00 0.00 C ATOM 518 C GLN A1102 2.238 16.435 -1.261 1.00 0.00 C ATOM 519 O GLN A1102 2.947 15.428 -1.276 1.00 0.00 O ATOM 520 CB GLN A1102 1.871 17.945 -3.209 1.00 0.00 C ATOM 521 CG GLN A1102 3.360 17.837 -3.510 1.00 0.00 C ATOM 522 CD GLN A1102 3.875 19.011 -4.315 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.855 18.995 -5.544 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.344 20.034 -3.625 1.00 0.00 N ATOM 0 H GLN A1102 -0.308 18.033 -2.064 1.00 0.00 H new ATOM 0 HA GLN A1102 1.246 15.897 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.325 18.031 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.689 18.862 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A1102 3.913 17.772 -2.573 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.551 16.914 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.342 20.005 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.709 20.853 -4.111 1.00 0.00 H new ATOM 533 N GLU A1103 2.196 17.279 -0.244 1.00 0.00 N ATOM 534 CA GLU A1103 3.105 17.152 0.878 1.00 0.00 C ATOM 535 C GLU A1103 2.372 16.618 2.104 1.00 0.00 C ATOM 536 O GLU A1103 2.856 16.709 3.228 1.00 0.00 O ATOM 537 CB GLU A1103 3.748 18.506 1.172 1.00 0.00 C ATOM 538 CG GLU A1103 5.016 18.388 1.984 1.00 0.00 C ATOM 539 CD GLU A1103 5.684 19.723 2.241 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.260 20.299 1.291 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.647 20.196 3.394 1.00 0.00 O ATOM 0 H GLU A1103 1.542 18.058 -0.174 1.00 0.00 H new ATOM 0 HA GLU A1103 3.890 16.439 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.970 19.010 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.035 19.133 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.786 17.914 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.714 17.733 1.463 1.00 0.00 H new ATOM 548 N TRP A1104 1.202 16.049 1.874 1.00 0.00 N ATOM 549 CA TRP A1104 0.399 15.480 2.948 1.00 0.00 C ATOM 550 C TRP A1104 -0.268 14.188 2.492 1.00 0.00 C ATOM 551 O TRP A1104 -1.207 14.207 1.692 1.00 0.00 O ATOM 552 CB TRP A1104 -0.659 16.478 3.418 1.00 0.00 C ATOM 553 CG TRP A1104 -0.113 17.581 4.271 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.469 18.745 3.853 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.098 17.621 5.702 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.827 19.509 4.935 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.496 18.836 6.078 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.532 16.745 6.703 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.662 19.199 7.406 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.361 17.108 8.023 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.233 18.328 8.363 1.00 0.00 C ATOM 0 H TRP A1104 0.783 15.967 0.948 1.00 0.00 H new ATOM 0 HA TRP A1104 1.062 15.256 3.783 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.147 16.913 2.546 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.426 15.943 3.979 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.624 19.023 2.821 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.268 20.428 4.893 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.992 15.802 6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.117 20.141 7.674 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.691 16.440 8.805 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.354 18.585 9.405 1.00 0.00 H new ATOM 572 N TRP A1105 0.218 13.066 2.997 1.00 0.00 N ATOM 573 CA TRP A1105 -0.288 11.767 2.578 1.00 0.00 C ATOM 574 C TRP A1105 -1.045 11.095 3.708 1.00 0.00 C ATOM 575 O TRP A1105 -0.960 11.513 4.861 1.00 0.00 O ATOM 576 CB TRP A1105 0.856 10.872 2.092 1.00 0.00 C ATOM 577 CG TRP A1105 1.491 11.373 0.829 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.176 12.518 0.165 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.536 10.751 0.080 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.959 12.660 -0.943 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.809 11.585 -1.023 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.273 9.576 0.234 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.788 11.277 -1.962 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.242 9.271 -0.702 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.495 10.119 -1.787 1.00 0.00 C ATOM 0 H TRP A1105 0.960 13.027 3.696 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.978 11.923 1.749 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.614 10.804 2.872 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.477 9.863 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.412 13.217 0.472 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.919 13.437 -1.603 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.089 8.917 1.070 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.983 11.929 -2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.815 8.362 -0.595 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.263 9.854 -2.499 1.00 0.00 H new ATOM 596 N ILE A1106 -1.784 10.056 3.373 1.00 0.00 N ATOM 597 CA ILE A1106 -2.637 9.387 4.335 1.00 0.00 C ATOM 598 C ILE A1106 -2.175 7.960 4.536 1.00 0.00 C ATOM 599 O ILE A1106 -1.837 7.264 3.576 1.00 0.00 O ATOM 600 CB ILE A1106 -4.098 9.355 3.860 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.539 10.740 3.400 1.00 0.00 C ATOM 602 CG2 ILE A1106 -5.004 8.851 4.976 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.806 10.713 2.585 1.00 0.00 C ATOM 0 H ILE A1106 -1.811 9.655 2.436 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.574 9.945 5.269 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.174 8.671 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.688 11.376 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.742 11.191 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -6.036 8.833 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.701 7.844 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.924 9.514 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.069 11.728 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.654 10.102 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.614 10.290 3.182 1.00 0.00 H new ATOM 615 N GLY A1107 -2.151 7.525 5.777 1.00 0.00 N ATOM 616 CA GLY A1107 -1.790 6.159 6.051 1.00 0.00 C ATOM 617 C GLY A1107 -1.850 5.819 7.517 1.00 0.00 C ATOM 618 O GLY A1107 -2.505 6.511 8.299 1.00 0.00 O ATOM 0 H GLY A1107 -2.374 8.089 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.458 5.495 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.781 5.974 5.681 1.00 0.00 H new ATOM 622 N HIS A1108 -1.155 4.758 7.887 1.00 0.00 N ATOM 623 CA HIS A1108 -1.148 4.275 9.262 1.00 0.00 C ATOM 624 C HIS A1108 0.217 3.703 9.607 1.00 0.00 C ATOM 625 O HIS A1108 0.925 3.204 8.732 1.00 0.00 O ATOM 626 CB HIS A1108 -2.245 3.221 9.482 1.00 0.00 C ATOM 627 CG HIS A1108 -2.187 2.037 8.560 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.991 1.911 7.449 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.441 0.906 8.608 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.745 0.759 6.856 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.809 0.130 7.538 1.00 0.00 N ATOM 0 H HIS A1108 -0.581 4.207 7.248 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.355 5.117 9.923 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.183 2.864 10.510 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.217 3.702 9.369 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.696 0.661 9.350 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.229 0.393 5.963 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.421 -0.785 7.308 1.00 0.00 H new ATOM 640 N ILE A1109 0.579 3.785 10.878 1.00 0.00 N ATOM 641 CA ILE A1109 1.884 3.331 11.340 1.00 0.00 C ATOM 642 C ILE A1109 2.066 1.832 11.099 1.00 0.00 C ATOM 643 O ILE A1109 1.147 1.041 11.313 1.00 0.00 O ATOM 644 CB ILE A1109 2.083 3.645 12.842 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.011 5.154 13.085 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.402 3.086 13.353 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.929 5.969 12.203 1.00 0.00 C ATOM 0 H ILE A1109 -0.017 4.165 11.614 1.00 0.00 H new ATOM 0 HA ILE A1109 2.636 3.871 10.765 1.00 0.00 H new ATOM 0 HB ILE A1109 1.278 3.161 13.396 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.985 5.487 12.928 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.255 5.355 14.128 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.512 3.323 14.411 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.414 2.004 13.220 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.226 3.529 12.794 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.816 7.027 12.440 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.962 5.667 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.672 5.802 11.157 1.00 0.00 H new ATOM 659 N GLU A1110 3.256 1.469 10.637 1.00 0.00 N ATOM 660 CA GLU A1110 3.609 0.085 10.360 1.00 0.00 C ATOM 661 C GLU A1110 3.568 -0.743 11.638 1.00 0.00 C ATOM 662 O GLU A1110 4.459 -0.640 12.484 1.00 0.00 O ATOM 663 CB GLU A1110 5.011 0.035 9.754 1.00 0.00 C ATOM 664 CG GLU A1110 5.104 -0.754 8.462 1.00 0.00 C ATOM 665 CD GLU A1110 4.925 -2.242 8.658 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.920 -2.925 8.987 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.799 -2.740 8.462 1.00 0.00 O ATOM 0 H GLU A1110 4.007 2.132 10.443 1.00 0.00 H new ATOM 0 HA GLU A1110 2.889 -0.332 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.351 1.054 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.694 -0.402 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.346 -0.392 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A1110 6.074 -0.569 8.000 1.00 0.00 H new ATOM 674 N GLY A1111 2.523 -1.541 11.782 1.00 0.00 N ATOM 675 CA GLY A1111 2.368 -2.358 12.964 1.00 0.00 C ATOM 676 C GLY A1111 1.397 -1.742 13.947 1.00 0.00 C ATOM 677 O GLY A1111 1.028 -2.365 14.945 1.00 0.00 O ATOM 0 H GLY A1111 1.775 -1.637 11.096 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.016 -3.349 12.678 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.337 -2.490 13.445 1.00 0.00 H new ATOM 681 N GLN A1112 0.979 -0.520 13.662 1.00 0.00 N ATOM 682 CA GLN A1112 0.047 0.193 14.520 1.00 0.00 C ATOM 683 C GLN A1112 -1.038 0.852 13.674 1.00 0.00 C ATOM 684 O GLN A1112 -0.987 2.056 13.411 1.00 0.00 O ATOM 685 CB GLN A1112 0.783 1.262 15.334 1.00 0.00 C ATOM 686 CG GLN A1112 -0.053 1.873 16.448 1.00 0.00 C ATOM 687 CD GLN A1112 0.076 1.118 17.754 1.00 0.00 C ATOM 688 OE1 GLN A1112 0.936 1.428 18.574 1.00 0.00 O ATOM 689 NE2 GLN A1112 -0.773 0.128 17.963 1.00 0.00 N ATOM 0 H GLN A1112 1.273 0.002 12.837 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.411 -0.521 15.205 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.681 0.821 15.767 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.110 2.055 14.662 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.252 2.909 16.600 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -1.100 1.890 16.144 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -1.474 -0.100 17.258 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -0.728 -0.408 18.829 1.00 0.00 H new ATOM 698 N PRO A1113 -2.032 0.068 13.231 1.00 0.00 N ATOM 699 CA PRO A1113 -3.123 0.570 12.387 1.00 0.00 C ATOM 700 C PRO A1113 -3.980 1.602 13.114 1.00 0.00 C ATOM 701 O PRO A1113 -4.650 2.424 12.487 1.00 0.00 O ATOM 702 CB PRO A1113 -3.948 -0.686 12.071 1.00 0.00 C ATOM 703 CG PRO A1113 -3.058 -1.837 12.401 1.00 0.00 C ATOM 704 CD PRO A1113 -2.178 -1.366 13.517 1.00 0.00 C ATOM 0 HA PRO A1113 -2.749 1.078 11.498 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.863 -0.714 12.663 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -4.246 -0.707 11.023 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.640 -2.707 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.466 -2.134 11.535 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.633 -1.540 14.492 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -1.216 -1.879 13.518 1.00 0.00 H new ATOM 712 N GLU A1114 -3.942 1.550 14.441 1.00 0.00 N ATOM 713 CA GLU A1114 -4.682 2.484 15.278 1.00 0.00 C ATOM 714 C GLU A1114 -4.176 3.892 15.079 1.00 0.00 C ATOM 715 O GLU A1114 -4.935 4.855 15.166 1.00 0.00 O ATOM 716 CB GLU A1114 -4.553 2.122 16.755 1.00 0.00 C ATOM 717 CG GLU A1114 -5.145 0.777 17.115 1.00 0.00 C ATOM 718 CD GLU A1114 -4.337 -0.389 16.581 1.00 0.00 C ATOM 719 OE1 GLU A1114 -3.175 -0.550 17.005 1.00 0.00 O ATOM 720 OE2 GLU A1114 -4.849 -1.136 15.722 1.00 0.00 O ATOM 0 H GLU A1114 -3.400 0.862 14.964 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.730 2.423 14.983 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -3.498 2.128 17.029 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -5.041 2.893 17.351 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.216 0.696 18.200 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.161 0.717 16.724 1.00 0.00 H new ATOM 727 N ARG A1115 -2.889 4.014 14.825 1.00 0.00 N ATOM 728 CA ARG A1115 -2.316 5.310 14.573 1.00 0.00 C ATOM 729 C ARG A1115 -2.402 5.624 13.089 1.00 0.00 C ATOM 730 O ARG A1115 -1.496 5.292 12.319 1.00 0.00 O ATOM 731 CB ARG A1115 -0.863 5.378 15.033 1.00 0.00 C ATOM 732 CG ARG A1115 -0.685 5.539 16.531 1.00 0.00 C ATOM 733 CD ARG A1115 0.789 5.616 16.888 1.00 0.00 C ATOM 734 NE ARG A1115 1.010 6.013 18.276 1.00 0.00 N ATOM 735 CZ ARG A1115 2.195 5.945 18.884 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.243 5.444 18.239 1.00 0.00 N ATOM 737 NH2 ARG A1115 2.329 6.370 20.132 1.00 0.00 N ATOM 0 H ARG A1115 -2.230 3.237 14.789 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.882 6.048 15.142 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.351 4.470 14.714 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.374 6.212 14.530 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.194 6.442 16.868 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.147 4.699 17.050 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.253 4.645 16.713 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.283 6.329 16.227 1.00 0.00 H new ATOM 0 HE ARG A1115 0.214 6.362 18.810 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.141 5.112 17.280 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.150 5.391 18.703 1.00 0.00 H new ATOM 0 HH21 ARG A1115 1.524 6.750 20.630 1.00 0.00 H new ATOM 0 HH22 ARG A1115 3.237 6.317 20.594 1.00 0.00 H new ATOM 751 N LYS A1116 -3.495 6.247 12.691 1.00 0.00 N ATOM 752 CA LYS A1116 -3.713 6.574 11.293 1.00 0.00 C ATOM 753 C LYS A1116 -4.135 8.028 11.156 1.00 0.00 C ATOM 754 O LYS A1116 -4.644 8.628 12.106 1.00 0.00 O ATOM 755 CB LYS A1116 -4.762 5.641 10.663 1.00 0.00 C ATOM 756 CG LYS A1116 -6.200 5.885 11.111 1.00 0.00 C ATOM 757 CD LYS A1116 -6.436 5.506 12.565 1.00 0.00 C ATOM 758 CE LYS A1116 -7.853 5.839 13.007 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.874 5.123 12.196 1.00 0.00 N ATOM 0 H LYS A1116 -4.247 6.537 13.316 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.775 6.429 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.713 5.745 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.495 4.610 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.446 6.937 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.876 5.312 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.254 4.440 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.723 6.033 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.976 5.577 14.058 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.015 6.914 12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.810 5.242 12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -8.889 5.514 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.638 4.111 12.155 1.00 0.00 H new ATOM 773 N GLY A1117 -3.894 8.593 9.983 1.00 0.00 N ATOM 774 CA GLY A1117 -4.239 9.976 9.740 1.00 0.00 C ATOM 775 C GLY A1117 -3.478 10.544 8.565 1.00 0.00 C ATOM 776 O GLY A1117 -2.958 9.791 7.733 1.00 0.00 O ATOM 0 H GLY A1117 -3.463 8.115 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.310 10.056 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.026 10.566 10.631 1.00 0.00 H new ATOM 780 N VAL A1118 -3.409 11.866 8.491 1.00 0.00 N ATOM 781 CA VAL A1118 -2.707 12.532 7.407 1.00 0.00 C ATOM 782 C VAL A1118 -1.371 13.070 7.899 1.00 0.00 C ATOM 783 O VAL A1118 -1.318 13.878 8.829 1.00 0.00 O ATOM 784 CB VAL A1118 -3.537 13.688 6.813 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.943 14.139 5.489 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.990 13.276 6.638 1.00 0.00 C ATOM 0 H VAL A1118 -3.832 12.498 9.171 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.542 11.793 6.623 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.506 14.526 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.540 14.955 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.920 14.481 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.943 13.305 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.556 14.107 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.047 12.421 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.410 13.004 7.606 1.00 0.00 H new ATOM 796 N PHE A1119 -0.300 12.605 7.284 1.00 0.00 N ATOM 797 CA PHE A1119 1.047 12.984 7.686 1.00 0.00 C ATOM 798 C PHE A1119 1.751 13.814 6.616 1.00 0.00 C ATOM 799 O PHE A1119 1.638 13.536 5.419 1.00 0.00 O ATOM 800 CB PHE A1119 1.876 11.737 8.015 1.00 0.00 C ATOM 801 CG PHE A1119 1.816 10.653 6.975 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.800 9.713 7.004 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.780 10.561 5.981 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.740 8.708 6.064 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.725 9.551 5.038 1.00 0.00 C ATOM 806 CZ PHE A1119 1.701 8.624 5.081 1.00 0.00 C ATOM 0 H PHE A1119 -0.335 11.958 6.496 1.00 0.00 H new ATOM 0 HA PHE A1119 0.957 13.604 8.578 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.916 12.034 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.533 11.329 8.966 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.045 9.768 7.774 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.581 11.285 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.062 7.985 6.098 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.481 9.487 4.269 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.654 7.835 4.345 1.00 0.00 H new ATOM 816 N PRO A1120 2.468 14.863 7.047 1.00 0.00 N ATOM 817 CA PRO A1120 3.267 15.701 6.155 1.00 0.00 C ATOM 818 C PRO A1120 4.508 14.981 5.641 1.00 0.00 C ATOM 819 O PRO A1120 5.308 14.451 6.420 1.00 0.00 O ATOM 820 CB PRO A1120 3.677 16.881 7.036 1.00 0.00 C ATOM 821 CG PRO A1120 3.626 16.356 8.427 1.00 0.00 C ATOM 822 CD PRO A1120 2.537 15.322 8.445 1.00 0.00 C ATOM 0 HA PRO A1120 2.706 15.988 5.266 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.677 17.234 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.999 17.725 6.907 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.583 15.919 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.415 17.155 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.774 14.503 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.588 15.745 8.775 1.00 0.00 H new ATOM 830 N VAL A1121 4.673 14.991 4.326 1.00 0.00 N ATOM 831 CA VAL A1121 5.820 14.370 3.680 1.00 0.00 C ATOM 832 C VAL A1121 7.103 15.141 4.026 1.00 0.00 C ATOM 833 O VAL A1121 8.214 14.642 3.860 1.00 0.00 O ATOM 834 CB VAL A1121 5.626 14.302 2.144 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.793 13.596 1.469 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.316 13.599 1.796 1.00 0.00 C ATOM 0 H VAL A1121 4.017 15.429 3.679 1.00 0.00 H new ATOM 0 HA VAL A1121 5.910 13.349 4.052 1.00 0.00 H new ATOM 0 HB VAL A1121 5.586 15.326 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.626 13.565 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.716 14.137 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.874 12.579 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.199 13.562 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.331 12.584 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.481 14.148 2.232 1.00 0.00 H new ATOM 846 N SER A1122 6.928 16.348 4.546 1.00 0.00 N ATOM 847 CA SER A1122 8.042 17.195 4.952 1.00 0.00 C ATOM 848 C SER A1122 8.855 16.567 6.084 1.00 0.00 C ATOM 849 O SER A1122 10.040 16.859 6.245 1.00 0.00 O ATOM 850 CB SER A1122 7.503 18.557 5.382 1.00 0.00 C ATOM 851 OG SER A1122 6.082 18.546 5.417 1.00 0.00 O ATOM 0 H SER A1122 6.011 16.768 4.698 1.00 0.00 H new ATOM 0 HA SER A1122 8.713 17.309 4.100 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.894 18.814 6.366 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.849 19.325 4.691 1.00 0.00 H new ATOM 0 HG SER A1122 5.735 19.253 4.834 1.00 0.00 H new ATOM 857 N PHE A1123 8.220 15.696 6.857 1.00 0.00 N ATOM 858 CA PHE A1123 8.863 15.123 8.033 1.00 0.00 C ATOM 859 C PHE A1123 9.128 13.628 7.836 1.00 0.00 C ATOM 860 O PHE A1123 9.611 12.941 8.741 1.00 0.00 O ATOM 861 CB PHE A1123 7.992 15.339 9.278 1.00 0.00 C ATOM 862 CG PHE A1123 7.727 16.784 9.641 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.239 17.686 8.706 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.925 17.226 10.939 1.00 0.00 C ATOM 865 CE1 PHE A1123 6.958 18.987 9.049 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.653 18.532 11.293 1.00 0.00 C ATOM 867 CZ PHE A1123 7.163 19.418 10.343 1.00 0.00 C ATOM 0 H PHE A1123 7.267 15.372 6.693 1.00 0.00 H new ATOM 0 HA PHE A1123 9.818 15.629 8.175 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.036 14.840 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.472 14.851 10.126 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.077 17.359 7.689 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.297 16.539 11.684 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.577 19.671 8.306 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.821 18.864 12.307 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.943 20.440 10.616 1.00 0.00 H new ATOM 877 N VAL A1124 8.813 13.125 6.649 1.00 0.00 N ATOM 878 CA VAL A1124 9.003 11.706 6.352 1.00 0.00 C ATOM 879 C VAL A1124 9.741 11.526 5.033 1.00 0.00 C ATOM 880 O VAL A1124 9.876 12.467 4.256 1.00 0.00 O ATOM 881 CB VAL A1124 7.660 10.934 6.294 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.036 10.817 7.673 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.684 11.608 5.345 1.00 0.00 C ATOM 0 H VAL A1124 8.427 13.672 5.879 1.00 0.00 H new ATOM 0 HA VAL A1124 9.598 11.294 7.167 1.00 0.00 H new ATOM 0 HB VAL A1124 7.877 9.933 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.095 10.271 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.716 10.283 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.848 11.813 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.750 11.046 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.488 12.624 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.113 11.638 4.343 1.00 0.00 H new ATOM 893 N HIS A1125 10.227 10.322 4.781 1.00 0.00 N ATOM 894 CA HIS A1125 10.942 10.049 3.549 1.00 0.00 C ATOM 895 C HIS A1125 10.426 8.759 2.928 1.00 0.00 C ATOM 896 O HIS A1125 10.237 7.757 3.623 1.00 0.00 O ATOM 897 CB HIS A1125 12.443 9.959 3.829 1.00 0.00 C ATOM 898 CG HIS A1125 13.302 9.977 2.601 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.599 11.123 1.898 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.937 8.972 1.960 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.376 10.820 0.876 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.600 9.521 0.889 1.00 0.00 N ATOM 0 H HIS A1125 10.140 9.524 5.410 1.00 0.00 H new ATOM 0 HA HIS A1125 10.773 10.862 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.731 10.791 4.472 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.643 9.043 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A1125 13.926 7.928 2.238 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.764 11.519 0.150 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.170 9.009 0.216 1.00 0.00 H new ATOM 911 N ILE A1126 10.193 8.799 1.626 1.00 0.00 N ATOM 912 CA ILE A1126 9.611 7.675 0.904 1.00 0.00 C ATOM 913 C ILE A1126 10.653 6.591 0.649 1.00 0.00 C ATOM 914 O ILE A1126 11.717 6.854 0.082 1.00 0.00 O ATOM 915 CB ILE A1126 8.966 8.115 -0.440 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.630 8.837 -0.210 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.753 6.924 -1.368 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.752 10.255 0.308 1.00 0.00 C ATOM 0 H ILE A1126 10.400 9.608 1.040 1.00 0.00 H new ATOM 0 HA ILE A1126 8.822 7.269 1.538 1.00 0.00 H new ATOM 0 HB ILE A1126 9.660 8.809 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.077 8.855 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.037 8.257 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.300 7.265 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.713 6.453 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.093 6.202 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.757 10.681 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.273 10.249 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.313 10.856 -0.407 1.00 0.00 H new ATOM 930 N LEU A1127 10.337 5.375 1.072 1.00 0.00 N ATOM 931 CA LEU A1127 11.246 4.253 0.915 1.00 0.00 C ATOM 932 C LEU A1127 10.678 3.233 -0.053 1.00 0.00 C ATOM 933 O LEU A1127 10.013 2.275 0.341 1.00 0.00 O ATOM 934 CB LEU A1127 11.512 3.596 2.261 1.00 0.00 C ATOM 935 CG LEU A1127 11.953 4.559 3.350 1.00 0.00 C ATOM 936 CD1 LEU A1127 12.132 3.830 4.663 1.00 0.00 C ATOM 937 CD2 LEU A1127 13.235 5.271 2.960 1.00 0.00 C ATOM 0 H LEU A1127 9.455 5.142 1.528 1.00 0.00 H new ATOM 0 HA LEU A1127 12.185 4.631 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.606 3.086 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A1127 12.280 2.833 2.134 1.00 0.00 H new ATOM 0 HG LEU A1127 11.172 5.309 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.448 4.536 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.187 3.373 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.890 3.055 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.529 5.954 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A1127 14.025 4.537 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A1127 13.073 5.834 2.041 1.00 0.00 H new ATOM 949 N SER A1128 10.937 3.459 -1.320 1.00 0.00 N ATOM 950 CA SER A1128 10.539 2.525 -2.359 1.00 0.00 C ATOM 951 C SER A1128 11.765 1.753 -2.835 1.00 0.00 C ATOM 952 O SER A1128 11.741 1.073 -3.863 1.00 0.00 O ATOM 953 CB SER A1128 9.881 3.279 -3.520 1.00 0.00 C ATOM 954 OG SER A1128 9.314 2.382 -4.459 1.00 0.00 O ATOM 0 H SER A1128 11.425 4.287 -1.662 1.00 0.00 H new ATOM 0 HA SER A1128 9.810 1.819 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.107 3.942 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A1128 10.621 3.907 -4.015 1.00 0.00 H new ATOM 0 HG SER A1128 9.914 1.618 -4.585 1.00 0.00 H new ATOM 960 N ASP A1129 12.830 1.868 -2.057 1.00 0.00 N ATOM 961 CA ASP A1129 14.106 1.250 -2.376 1.00 0.00 C ATOM 962 C ASP A1129 14.887 0.989 -1.094 1.00 0.00 C ATOM 963 O ASP A1129 15.145 -0.188 -0.789 1.00 0.00 O ATOM 964 CB ASP A1129 14.920 2.124 -3.348 1.00 0.00 C ATOM 965 CG ASP A1129 15.184 3.530 -2.836 1.00 0.00 C ATOM 966 OD1 ASP A1129 14.208 4.279 -2.593 1.00 0.00 O ATOM 967 OD2 ASP A1129 16.364 3.910 -2.704 1.00 0.00 O ATOM 968 OXT ASP A1129 15.188 1.954 -0.362 1.00 0.00 O ATOM 0 H ASP A1129 12.833 2.395 -1.184 1.00 0.00 H new ATOM 0 HA ASP A1129 13.917 0.299 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A1129 15.874 1.636 -3.549 1.00 0.00 H new ATOM 0 HB3 ASP A1129 14.388 2.187 -4.297 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.657 8.571 13.924 1.00 0.00 N ATOM 975 CA CYS B1578 18.540 9.612 13.359 1.00 0.00 C ATOM 976 C CYS B1578 17.715 10.708 12.701 1.00 0.00 C ATOM 977 O CYS B1578 17.163 10.508 11.619 1.00 0.00 O ATOM 978 CB CYS B1578 19.477 8.996 12.318 1.00 0.00 C ATOM 979 SG CYS B1578 20.490 7.635 12.942 1.00 0.00 S ATOM 0 HA CYS B1578 19.126 10.042 14.171 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.882 8.636 11.479 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.134 9.775 11.932 1.00 0.00 H new ATOM 0 HG CYS B1578 21.245 7.182 11.986 1.00 0.00 H new ATOM 987 N ILE B1579 17.612 11.856 13.363 1.00 0.00 N ATOM 988 CA ILE B1579 16.921 12.993 12.781 1.00 0.00 C ATOM 989 C ILE B1579 17.691 13.517 11.585 1.00 0.00 C ATOM 990 O ILE B1579 18.895 13.780 11.664 1.00 0.00 O ATOM 991 CB ILE B1579 16.712 14.149 13.785 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.767 13.728 14.913 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.167 15.386 13.074 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.364 14.878 15.809 1.00 0.00 C ATOM 0 H ILE B1579 17.995 12.020 14.294 1.00 0.00 H new ATOM 0 HA ILE B1579 15.938 12.633 12.478 1.00 0.00 H new ATOM 0 HB ILE B1579 17.680 14.395 14.221 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.872 13.281 14.481 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.250 12.958 15.515 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.026 16.189 13.797 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.874 15.707 12.309 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.211 15.146 12.608 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.694 14.515 16.588 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.253 15.311 16.268 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.854 15.638 15.218 1.00 0.00 H new ATOM 1006 N ILE B1580 16.994 13.642 10.478 1.00 0.00 N ATOM 1007 CA ILE B1580 17.564 14.192 9.270 1.00 0.00 C ATOM 1008 C ILE B1580 17.680 15.703 9.400 1.00 0.00 C ATOM 1009 O ILE B1580 16.705 16.370 9.684 1.00 0.00 O ATOM 1010 CB ILE B1580 16.702 13.802 8.039 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.203 12.489 7.439 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.665 14.899 6.984 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.138 11.333 8.406 1.00 0.00 C ATOM 0 H ILE B1580 16.016 13.365 10.390 1.00 0.00 H new ATOM 0 HA ILE B1580 18.562 13.779 9.123 1.00 0.00 H new ATOM 0 HB ILE B1580 15.678 13.668 8.388 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.610 12.250 6.556 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.233 12.618 7.106 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.049 14.576 6.145 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.242 15.806 7.417 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.677 15.102 6.634 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.507 10.430 7.919 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.754 11.553 9.278 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.106 11.179 8.720 1.00 0.00 H new ATOM 1025 N SER B1581 18.886 16.223 9.262 1.00 0.00 N ATOM 1026 CA SER B1581 19.107 17.664 9.229 1.00 0.00 C ATOM 1027 C SER B1581 18.517 18.356 10.468 1.00 0.00 C ATOM 1028 O SER B1581 18.484 17.780 11.562 1.00 0.00 O ATOM 1029 CB SER B1581 18.470 18.225 7.957 1.00 0.00 C ATOM 1030 OG SER B1581 19.035 17.628 6.798 1.00 0.00 O ATOM 0 H SER B1581 19.736 15.667 9.170 1.00 0.00 H new ATOM 0 HA SER B1581 20.180 17.857 9.232 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.395 18.046 7.975 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.613 19.305 7.920 1.00 0.00 H new ATOM 0 HG SER B1581 18.610 18.002 5.998 1.00 0.00 H new ATOM 1036 N ALA B1582 18.094 19.601 10.299 1.00 0.00 N ATOM 1037 CA ALA B1582 17.293 20.281 11.302 1.00 0.00 C ATOM 1038 C ALA B1582 15.817 20.120 10.963 1.00 0.00 C ATOM 1039 O ALA B1582 15.473 19.774 9.835 1.00 0.00 O ATOM 1040 CB ALA B1582 17.669 21.751 11.382 1.00 0.00 C ATOM 0 H ALA B1582 18.295 20.162 9.471 1.00 0.00 H new ATOM 0 HA ALA B1582 17.486 19.835 12.278 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.058 22.242 12.139 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.722 21.843 11.650 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.498 22.223 10.415 1.00 0.00 H new ATOM 1046 N MET B1583 14.959 20.378 11.936 1.00 0.00 N ATOM 1047 CA MET B1583 13.527 20.164 11.782 1.00 0.00 C ATOM 1048 C MET B1583 12.920 21.060 10.703 1.00 0.00 C ATOM 1049 O MET B1583 13.258 22.240 10.597 1.00 0.00 O ATOM 1050 CB MET B1583 12.832 20.399 13.123 1.00 0.00 C ATOM 1051 CG MET B1583 11.323 20.476 13.021 1.00 0.00 C ATOM 1052 SD MET B1583 10.512 19.792 14.469 1.00 0.00 S ATOM 1053 CE MET B1583 11.048 18.094 14.312 1.00 0.00 C ATOM 0 H MET B1583 15.232 20.739 12.850 1.00 0.00 H new ATOM 0 HA MET B1583 13.374 19.134 11.460 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.101 19.594 13.807 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.206 21.326 13.558 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.021 21.516 12.894 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.992 19.938 12.133 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.477 17.467 14.997 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.886 17.754 13.289 1.00 0.00 H new ATOM 0 HE3 MET B1583 12.108 18.023 14.554 1.00 0.00 H new ATOM 1063 N PRO B1584 12.012 20.497 9.888 1.00 0.00 N ATOM 1064 CA PRO B1584 11.277 21.238 8.883 1.00 0.00 C ATOM 1065 C PRO B1584 10.057 21.903 9.492 1.00 0.00 C ATOM 1066 O PRO B1584 9.844 21.849 10.704 1.00 0.00 O ATOM 1067 CB PRO B1584 10.864 20.157 7.895 1.00 0.00 C ATOM 1068 CG PRO B1584 10.651 18.959 8.743 1.00 0.00 C ATOM 1069 CD PRO B1584 11.611 19.082 9.899 1.00 0.00 C ATOM 0 HA PRO B1584 11.858 22.039 8.427 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.956 20.433 7.358 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.637 19.984 7.146 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.621 18.911 9.096 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.837 18.045 8.179 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.136 18.810 10.842 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.471 18.424 9.774 1.00 0.00 H new ATOM 1077 N THR B1585 9.255 22.518 8.663 1.00 0.00 N ATOM 1078 CA THR B1585 8.092 23.218 9.142 1.00 0.00 C ATOM 1079 C THR B1585 6.855 22.627 8.504 1.00 0.00 C ATOM 1080 O THR B1585 6.866 22.296 7.319 1.00 0.00 O ATOM 1081 CB THR B1585 8.175 24.723 8.818 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.428 25.247 9.270 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.040 25.489 9.482 1.00 0.00 C ATOM 0 H THR B1585 9.386 22.548 7.652 1.00 0.00 H new ATOM 0 HA THR B1585 8.043 23.107 10.225 1.00 0.00 H new ATOM 0 HB THR B1585 8.090 24.843 7.738 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.477 26.203 9.061 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.123 26.548 9.237 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.084 25.107 9.123 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.098 25.361 10.563 1.00 0.00 H new ATOM 1091 N LYS B1586 5.813 22.448 9.299 1.00 0.00 N ATOM 1092 CA LYS B1586 4.536 22.006 8.778 1.00 0.00 C ATOM 1093 C LYS B1586 4.052 23.015 7.741 1.00 0.00 C ATOM 1094 O LYS B1586 3.580 24.097 8.093 1.00 0.00 O ATOM 1095 CB LYS B1586 3.525 21.887 9.911 1.00 0.00 C ATOM 1096 CG LYS B1586 2.233 21.216 9.494 1.00 0.00 C ATOM 1097 CD LYS B1586 1.141 21.438 10.520 1.00 0.00 C ATOM 1098 CE LYS B1586 1.430 20.735 11.840 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.192 19.270 11.761 1.00 0.00 N ATOM 0 H LYS B1586 5.829 22.603 10.307 1.00 0.00 H new ATOM 0 HA LYS B1586 4.645 21.027 8.311 1.00 0.00 H new ATOM 0 HB2 LYS B1586 3.972 21.322 10.729 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.302 22.882 10.295 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.913 21.607 8.528 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.401 20.147 9.365 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.027 22.507 10.699 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.193 21.078 10.120 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.465 20.918 12.128 1.00 0.00 H new ATOM 0 HE3 LYS B1586 0.802 21.162 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 1.236 18.859 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.253 19.092 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 1.920 18.832 11.162 1.00 0.00 H new ATOM 1113 N SER B1587 4.176 22.650 6.472 1.00 0.00 N ATOM 1114 CA SER B1587 3.940 23.577 5.354 1.00 0.00 C ATOM 1115 C SER B1587 2.461 23.901 5.151 1.00 0.00 C ATOM 1116 O SER B1587 2.076 24.430 4.106 1.00 0.00 O ATOM 1117 CB SER B1587 4.512 22.993 4.064 1.00 0.00 C ATOM 1118 OG SER B1587 5.886 22.679 4.210 1.00 0.00 O ATOM 0 H SER B1587 4.441 21.709 6.181 1.00 0.00 H new ATOM 0 HA SER B1587 4.445 24.509 5.608 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.958 22.095 3.791 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.384 23.707 3.250 1.00 0.00 H new ATOM 0 HG SER B1587 6.104 21.900 3.656 1.00 0.00 H new ATOM 1124 N SER B1588 1.657 23.603 6.164 1.00 0.00 N ATOM 1125 CA SER B1588 0.217 23.807 6.129 1.00 0.00 C ATOM 1126 C SER B1588 -0.441 22.926 5.075 1.00 0.00 C ATOM 1127 O SER B1588 -0.201 23.061 3.880 1.00 0.00 O ATOM 1128 CB SER B1588 -0.116 25.279 5.882 1.00 0.00 C ATOM 1129 OG SER B1588 0.607 26.115 6.770 1.00 0.00 O ATOM 0 H SER B1588 1.992 23.208 7.043 1.00 0.00 H new ATOM 0 HA SER B1588 -0.182 23.521 7.102 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.123 25.543 4.852 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.186 25.441 6.013 1.00 0.00 H new ATOM 0 HG SER B1588 0.381 27.052 6.594 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.267 22.010 5.538 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.968 21.098 4.655 1.00 0.00 C ATOM 1137 C ARG B1589 -2.933 21.869 3.762 1.00 0.00 C ATOM 1138 O ARG B1589 -3.903 22.445 4.237 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.690 20.051 5.499 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.483 19.027 4.712 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.806 17.827 5.585 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.427 18.218 6.855 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.398 17.530 7.458 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.947 16.477 6.872 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -5.845 17.920 8.647 1.00 0.00 N ATOM 0 H ARG B1589 -1.471 21.876 6.528 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.261 20.588 4.001 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -1.954 19.527 6.109 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.366 20.562 6.185 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.405 19.476 4.343 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.913 18.708 3.839 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.476 17.157 5.046 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.891 17.269 5.786 1.00 0.00 H new ATOM 0 HE ARG B1589 -4.095 19.071 7.306 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.628 16.183 5.949 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.689 15.960 7.344 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -5.446 18.744 9.097 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -6.587 17.396 9.110 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.651 21.874 2.466 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.436 22.647 1.505 1.00 0.00 C ATOM 1161 C LYS B1590 -4.838 22.062 1.371 1.00 0.00 C ATOM 1162 O LYS B1590 -5.749 22.701 0.839 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.745 22.684 0.130 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.345 23.300 0.136 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.318 22.375 0.776 1.00 0.00 C ATOM 1166 CE LYS B1590 1.081 22.971 0.764 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.614 23.128 -0.615 1.00 0.00 N ATOM 0 H LYS B1590 -1.881 21.349 2.052 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.513 23.669 1.877 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.678 21.667 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.372 23.247 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.043 23.524 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.367 24.246 0.677 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.612 22.165 1.804 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.310 21.423 0.246 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.064 23.943 1.258 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.751 22.332 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.619 23.392 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.514 22.230 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.082 23.872 -1.110 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.998 20.839 1.856 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.288 20.169 1.855 1.00 0.00 C ATOM 1183 C ALA B1591 -7.151 20.628 3.031 1.00 0.00 C ATOM 1184 O ALA B1591 -8.379 20.652 2.937 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.095 18.663 1.890 1.00 0.00 C ATOM 0 H ALA B1591 -4.241 20.287 2.259 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.810 20.436 0.936 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.068 18.171 1.889 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.528 18.348 1.014 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.550 18.387 2.793 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.508 21.009 4.132 1.00 0.00 N ATOM 1192 CA LYS B1592 -7.235 21.457 5.312 1.00 0.00 C ATOM 1193 C LYS B1592 -7.493 22.950 5.210 1.00 0.00 C ATOM 1194 O LYS B1592 -6.730 23.680 4.578 1.00 0.00 O ATOM 1195 CB LYS B1592 -6.461 21.153 6.607 1.00 0.00 C ATOM 1196 CG LYS B1592 -5.219 22.010 6.802 1.00 0.00 C ATOM 1197 CD LYS B1592 -4.515 21.725 8.122 1.00 0.00 C ATOM 1198 CE LYS B1592 -5.314 22.225 9.314 1.00 0.00 C ATOM 1199 NZ LYS B1592 -4.529 22.152 10.576 1.00 0.00 N ATOM 0 H LYS B1592 -5.493 21.016 4.230 1.00 0.00 H new ATOM 0 HA LYS B1592 -8.179 20.914 5.353 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -7.127 21.297 7.458 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.169 20.103 6.605 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -4.527 21.833 5.979 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -5.498 23.063 6.763 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -4.350 20.652 8.221 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -3.534 22.199 8.119 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -5.623 23.255 9.138 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -6.223 21.632 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -5.096 22.533 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -4.284 21.161 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -3.658 22.711 10.476 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.566 23.397 5.823 1.00 0.00 N ATOM 1214 CA LYS B1593 -8.907 24.805 5.817 1.00 0.00 C ATOM 1215 C LYS B1593 -8.554 25.413 7.164 1.00 0.00 C ATOM 1216 O LYS B1593 -8.941 24.879 8.203 1.00 0.00 O ATOM 1217 CB LYS B1593 -10.399 25.015 5.502 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.782 24.724 4.052 1.00 0.00 C ATOM 1219 CD LYS B1593 -10.709 23.237 3.725 1.00 0.00 C ATOM 1220 CE LYS B1593 -10.881 22.982 2.237 1.00 0.00 C ATOM 1221 NZ LYS B1593 -10.770 21.537 1.901 1.00 0.00 N ATOM 0 H LYS B1593 -9.221 22.805 6.334 1.00 0.00 H new ATOM 0 HA LYS B1593 -8.334 25.302 5.034 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -10.990 24.375 6.157 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -10.666 26.045 5.736 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -11.793 25.086 3.865 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -10.118 25.274 3.385 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -9.750 22.838 4.054 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -11.483 22.704 4.278 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -11.854 23.355 1.916 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -10.126 23.541 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -10.588 21.430 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -9.987 21.115 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -11.658 21.054 2.146 1.00 0.00 H new ATOM 1235 N PRO B1594 -7.776 26.508 7.165 1.00 0.00 N ATOM 1236 CA PRO B1594 -7.387 27.209 8.393 1.00 0.00 C ATOM 1237 C PRO B1594 -8.580 27.878 9.073 1.00 0.00 C ATOM 1238 O PRO B1594 -8.708 29.105 9.081 1.00 0.00 O ATOM 1239 CB PRO B1594 -6.378 28.266 7.913 1.00 0.00 C ATOM 1240 CG PRO B1594 -5.997 27.849 6.533 1.00 0.00 C ATOM 1241 CD PRO B1594 -7.197 27.147 5.974 1.00 0.00 C ATOM 0 HA PRO B1594 -6.975 26.526 9.136 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -6.821 29.262 7.915 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -5.507 28.304 8.567 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -5.729 28.712 5.923 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -5.130 27.189 6.549 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -7.894 27.844 5.508 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -6.922 26.415 5.214 1.00 0.00 H new ATOM 1249 N ALA B1595 -9.459 27.057 9.620 1.00 0.00 N ATOM 1250 CA ALA B1595 -10.639 27.533 10.312 1.00 0.00 C ATOM 1251 C ALA B1595 -10.942 26.628 11.497 1.00 0.00 C ATOM 1252 O ALA B1595 -10.262 25.619 11.711 1.00 0.00 O ATOM 1253 CB ALA B1595 -11.828 27.593 9.360 1.00 0.00 C ATOM 0 H ALA B1595 -9.373 26.041 9.596 1.00 0.00 H new ATOM 0 HA ALA B1595 -10.451 28.541 10.681 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -12.706 27.953 9.897 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -11.602 28.272 8.538 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -12.028 26.597 8.964 1.00 0.00 H new ATOM 1259 N GLN B1596 -11.958 26.992 12.257 1.00 0.00 N ATOM 1260 CA GLN B1596 -12.328 26.253 13.451 1.00 0.00 C ATOM 1261 C GLN B1596 -13.397 25.220 13.124 1.00 0.00 C ATOM 1262 O GLN B1596 -14.511 25.619 12.734 1.00 0.00 O ATOM 1263 CB GLN B1596 -12.821 27.222 14.523 1.00 0.00 C ATOM 1264 CG GLN B1596 -11.791 28.278 14.882 1.00 0.00 C ATOM 1265 CD GLN B1596 -12.344 29.354 15.791 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -12.879 30.361 15.322 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -12.214 29.164 17.094 1.00 0.00 N ATOM 1268 OXT GLN B1596 -13.119 24.010 13.253 1.00 0.00 O ATOM 0 H GLN B1596 -12.547 27.803 12.067 1.00 0.00 H new ATOM 0 HA GLN B1596 -11.453 25.725 13.831 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -13.730 27.712 14.173 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -13.086 26.661 15.419 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -10.941 27.799 15.369 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -11.416 28.739 13.968 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -11.765 28.317 17.444 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -12.563 29.864 17.749 1.00 0.00 H new TER 1277 GLN B1596