USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 578 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 Set 1.1: A1122 SER OG : rot -99:sc= 0.719 USER MOD Set 1.2: B1587 SER OG : rot 160:sc= 1.24 USER MOD Single : A1073 LYS NZ :NH3+ 173:sc= 0.92 (180deg=0.901) USER MOD Single : A1074 THR OG1 : rot 132:sc= 1.74 USER MOD Single : A1076 TYR OH : rot -130:sc= -1.8 USER MOD Single : A1078 CYS SG : rot -120:sc= -0.223 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A1082 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.962 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.85! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0046) USER MOD Single : A1112 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.1) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1125 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.4) USER MOD Single : A1128 SER OG : rot -130:sc= 0.969 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 143:sc= -1.31 (180deg=-2.08) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -159:sc= 1.06 (180deg=0.774) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ 143:sc= 2.21 (180deg=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.784 1.106 0.177 1.00 0.00 N ATOM 20 CA ARG A1070 3.849 2.090 0.055 1.00 0.00 C ATOM 21 C ARG A1070 4.307 2.528 1.444 1.00 0.00 C ATOM 22 O ARG A1070 3.494 2.922 2.270 1.00 0.00 O ATOM 23 CB ARG A1070 3.337 3.281 -0.764 1.00 0.00 C ATOM 24 CG ARG A1070 4.339 4.411 -0.934 1.00 0.00 C ATOM 25 CD ARG A1070 3.839 5.452 -1.925 1.00 0.00 C ATOM 26 NE ARG A1070 2.527 5.994 -1.555 1.00 0.00 N ATOM 27 CZ ARG A1070 1.794 6.782 -2.348 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.227 7.094 -3.562 1.00 0.00 N ATOM 29 NH2 ARG A1070 0.622 7.252 -1.926 1.00 0.00 N ATOM 0 HA ARG A1070 4.706 1.656 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.040 2.925 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.442 3.676 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.524 4.884 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.291 4.007 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.561 6.266 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A1070 3.777 5.005 -2.917 1.00 0.00 H new ATOM 0 HE ARG A1070 2.151 5.755 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.122 6.732 -3.893 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.665 7.695 -4.165 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.281 7.011 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.065 7.853 -2.533 1.00 0.00 H new ATOM 43 N ARG A1071 5.603 2.434 1.712 1.00 0.00 N ATOM 44 CA ARG A1071 6.133 2.769 3.030 1.00 0.00 C ATOM 45 C ARG A1071 6.874 4.098 3.027 1.00 0.00 C ATOM 46 O ARG A1071 7.550 4.451 2.055 1.00 0.00 O ATOM 47 CB ARG A1071 7.089 1.684 3.528 1.00 0.00 C ATOM 48 CG ARG A1071 6.436 0.343 3.795 1.00 0.00 C ATOM 49 CD ARG A1071 7.391 -0.581 4.534 1.00 0.00 C ATOM 50 NE ARG A1071 6.787 -1.876 4.828 1.00 0.00 N ATOM 51 CZ ARG A1071 7.080 -2.611 5.903 1.00 0.00 C ATOM 52 NH1 ARG A1071 7.998 -2.195 6.768 1.00 0.00 N ATOM 53 NH2 ARG A1071 6.469 -3.768 6.107 1.00 0.00 N ATOM 0 H ARG A1071 6.305 2.130 1.038 1.00 0.00 H new ATOM 0 HA ARG A1071 5.273 2.844 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A1071 7.880 1.548 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.565 2.031 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A1071 5.530 0.485 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.135 -0.115 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.289 -0.729 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A1071 7.704 -0.108 5.465 1.00 0.00 H new ATOM 0 HE ARG A1071 6.098 -2.243 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.482 -1.311 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A1071 8.219 -2.760 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A1071 5.771 -4.101 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A1071 6.696 -4.326 6.930 1.00 0.00 H new ATOM 67 N VAL A1072 6.737 4.824 4.129 1.00 0.00 N ATOM 68 CA VAL A1072 7.540 6.009 4.399 1.00 0.00 C ATOM 69 C VAL A1072 8.122 5.901 5.809 1.00 0.00 C ATOM 70 O VAL A1072 7.475 5.366 6.712 1.00 0.00 O ATOM 71 CB VAL A1072 6.726 7.320 4.283 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.264 7.537 2.853 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.538 7.318 5.237 1.00 0.00 C ATOM 0 H VAL A1072 6.063 4.607 4.863 1.00 0.00 H new ATOM 0 HA VAL A1072 8.330 6.051 3.649 1.00 0.00 H new ATOM 0 HB VAL A1072 7.379 8.146 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.693 8.464 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.131 7.601 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.635 6.702 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A1072 4.986 8.252 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.882 6.480 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A1072 5.895 7.221 6.262 1.00 0.00 H new ATOM 83 N LYS A1073 9.337 6.379 5.993 1.00 0.00 N ATOM 84 CA LYS A1073 9.973 6.342 7.301 1.00 0.00 C ATOM 85 C LYS A1073 10.139 7.764 7.808 1.00 0.00 C ATOM 86 O LYS A1073 10.590 8.645 7.073 1.00 0.00 O ATOM 87 CB LYS A1073 11.330 5.634 7.218 1.00 0.00 C ATOM 88 CG LYS A1073 11.758 4.934 8.506 1.00 0.00 C ATOM 89 CD LYS A1073 12.235 5.901 9.584 1.00 0.00 C ATOM 90 CE LYS A1073 13.552 6.564 9.211 1.00 0.00 C ATOM 91 NZ LYS A1073 14.107 7.364 10.334 1.00 0.00 N ATOM 0 H LYS A1073 9.905 6.797 5.256 1.00 0.00 H new ATOM 0 HA LYS A1073 9.348 5.781 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.293 4.898 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.091 6.365 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.920 4.354 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.557 4.228 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.476 6.667 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.353 5.365 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.273 5.801 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.401 7.209 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.058 7.702 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.488 8.179 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.164 6.772 11.187 1.00 0.00 H new ATOM 105 N THR A1074 9.763 7.988 9.051 1.00 0.00 N ATOM 106 CA THR A1074 9.798 9.318 9.621 1.00 0.00 C ATOM 107 C THR A1074 11.230 9.743 9.915 1.00 0.00 C ATOM 108 O THR A1074 11.952 9.084 10.672 1.00 0.00 O ATOM 109 CB THR A1074 8.955 9.379 10.905 1.00 0.00 C ATOM 110 OG1 THR A1074 9.553 8.577 11.920 1.00 0.00 O ATOM 111 CG2 THR A1074 7.547 8.873 10.643 1.00 0.00 C ATOM 0 H THR A1074 9.429 7.263 9.687 1.00 0.00 H new ATOM 0 HA THR A1074 9.375 10.008 8.891 1.00 0.00 H new ATOM 0 HB THR A1074 8.909 10.417 11.233 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.607 9.090 12.753 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.965 8.924 11.563 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.074 9.492 9.880 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.590 7.840 10.297 1.00 0.00 H new ATOM 119 N ILE A1075 11.646 10.833 9.297 1.00 0.00 N ATOM 120 CA ILE A1075 12.999 11.335 9.466 1.00 0.00 C ATOM 121 C ILE A1075 13.016 12.495 10.444 1.00 0.00 C ATOM 122 O ILE A1075 14.071 13.032 10.778 1.00 0.00 O ATOM 123 CB ILE A1075 13.606 11.788 8.129 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.642 12.694 7.365 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.978 10.582 7.288 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.256 13.343 6.142 1.00 0.00 C ATOM 0 H ILE A1075 11.065 11.390 8.671 1.00 0.00 H new ATOM 0 HA ILE A1075 13.602 10.516 9.858 1.00 0.00 H new ATOM 0 HB ILE A1075 14.508 12.362 8.342 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.774 12.110 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.281 13.473 8.036 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.407 10.916 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.708 9.976 7.824 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.086 9.987 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.512 13.971 5.651 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.106 13.955 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.592 12.571 5.450 1.00 0.00 H new ATOM 138 N TYR A1076 11.831 12.869 10.888 1.00 0.00 N ATOM 139 CA TYR A1076 11.663 13.956 11.834 1.00 0.00 C ATOM 140 C TYR A1076 10.558 13.639 12.831 1.00 0.00 C ATOM 141 O TYR A1076 9.818 12.667 12.670 1.00 0.00 O ATOM 142 CB TYR A1076 11.292 15.245 11.108 1.00 0.00 C ATOM 143 CG TYR A1076 12.372 15.842 10.234 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.364 16.634 10.782 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.362 15.663 8.856 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.310 17.243 9.982 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.312 16.255 8.053 1.00 0.00 C ATOM 148 CZ TYR A1076 14.278 17.048 8.616 1.00 0.00 C ATOM 149 OH TYR A1076 15.204 17.665 7.806 1.00 0.00 O ATOM 0 H TYR A1076 10.957 12.427 10.603 1.00 0.00 H new ATOM 0 HA TYR A1076 12.610 14.081 12.359 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.416 15.052 10.489 1.00 0.00 H new ATOM 0 HB3 TYR A1076 11.000 15.987 11.851 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.399 16.778 11.852 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.596 15.049 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A1076 15.072 17.869 10.423 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.296 16.095 6.985 1.00 0.00 H new ATOM 0 HH TYR A1076 14.744 18.115 7.067 1.00 0.00 H new ATOM 159 N ASP A1077 10.454 14.480 13.853 1.00 0.00 N ATOM 160 CA ASP A1077 9.381 14.378 14.831 1.00 0.00 C ATOM 161 C ASP A1077 8.295 15.391 14.496 1.00 0.00 C ATOM 162 O ASP A1077 8.491 16.596 14.651 1.00 0.00 O ATOM 163 CB ASP A1077 9.887 14.647 16.255 1.00 0.00 C ATOM 164 CG ASP A1077 11.083 13.804 16.653 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.922 12.585 16.873 1.00 0.00 O ATOM 166 OD2 ASP A1077 12.190 14.370 16.789 1.00 0.00 O ATOM 0 H ASP A1077 11.106 15.245 14.025 1.00 0.00 H new ATOM 0 HA ASP A1077 8.987 13.363 14.791 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.153 15.701 16.342 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.075 14.463 16.959 1.00 0.00 H new ATOM 171 N CYS A1078 7.159 14.908 14.040 1.00 0.00 N ATOM 172 CA CYS A1078 6.067 15.781 13.646 1.00 0.00 C ATOM 173 C CYS A1078 4.869 15.572 14.549 1.00 0.00 C ATOM 174 O CYS A1078 4.531 14.439 14.885 1.00 0.00 O ATOM 175 CB CYS A1078 5.663 15.522 12.198 1.00 0.00 C ATOM 176 SG CYS A1078 4.262 16.517 11.631 1.00 0.00 S ATOM 0 H CYS A1078 6.965 13.913 13.932 1.00 0.00 H new ATOM 0 HA CYS A1078 6.411 16.811 13.739 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.519 15.719 11.553 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.415 14.467 12.085 1.00 0.00 H new ATOM 0 HG CYS A1078 3.293 15.732 11.264 1.00 0.00 H new ATOM 182 N GLN A1079 4.231 16.659 14.940 1.00 0.00 N ATOM 183 CA GLN A1079 3.068 16.568 15.806 1.00 0.00 C ATOM 184 C GLN A1079 1.854 17.264 15.200 1.00 0.00 C ATOM 185 O GLN A1079 1.964 18.270 14.493 1.00 0.00 O ATOM 186 CB GLN A1079 3.398 17.111 17.199 1.00 0.00 C ATOM 187 CG GLN A1079 2.197 17.258 18.121 1.00 0.00 C ATOM 188 CD GLN A1079 2.572 17.784 19.493 1.00 0.00 C ATOM 189 OE1 GLN A1079 3.674 17.534 19.994 1.00 0.00 O ATOM 190 NE2 GLN A1079 1.661 18.519 20.108 1.00 0.00 N ATOM 0 H GLN A1079 4.494 17.608 14.675 1.00 0.00 H new ATOM 0 HA GLN A1079 2.803 15.515 15.907 1.00 0.00 H new ATOM 0 HB2 GLN A1079 4.123 16.448 17.671 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.878 18.084 17.091 1.00 0.00 H new ATOM 0 HG2 GLN A1079 1.473 17.933 17.663 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.707 16.290 18.229 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.764 18.701 19.658 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.855 18.904 21.032 1.00 0.00 H new ATOM 199 N ALA A1080 0.698 16.685 15.476 1.00 0.00 N ATOM 200 CA ALA A1080 -0.567 17.151 14.945 1.00 0.00 C ATOM 201 C ALA A1080 -1.193 18.207 15.842 1.00 0.00 C ATOM 202 O ALA A1080 -1.088 18.142 17.069 1.00 0.00 O ATOM 203 CB ALA A1080 -1.516 15.976 14.811 1.00 0.00 C ATOM 0 H ALA A1080 0.613 15.869 16.082 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.382 17.602 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.469 16.322 14.412 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.086 15.237 14.135 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -1.675 15.524 15.790 1.00 0.00 H new ATOM 209 N ASP A1081 -1.845 19.174 15.218 1.00 0.00 N ATOM 210 CA ASP A1081 -2.612 20.176 15.945 1.00 0.00 C ATOM 211 C ASP A1081 -4.090 19.845 15.823 1.00 0.00 C ATOM 212 O ASP A1081 -4.900 20.166 16.697 1.00 0.00 O ATOM 213 CB ASP A1081 -2.328 21.577 15.398 1.00 0.00 C ATOM 214 CG ASP A1081 -3.071 22.661 16.155 1.00 0.00 C ATOM 215 OD1 ASP A1081 -2.806 22.837 17.363 1.00 0.00 O ATOM 216 OD2 ASP A1081 -3.915 23.351 15.544 1.00 0.00 O ATOM 0 H ASP A1081 -1.859 19.288 14.204 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.320 20.165 16.995 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -1.257 21.773 15.449 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.609 21.616 14.346 1.00 0.00 H new ATOM 221 N ASN A1082 -4.423 19.176 14.730 1.00 0.00 N ATOM 222 CA ASN A1082 -5.778 18.694 14.494 1.00 0.00 C ATOM 223 C ASN A1082 -5.813 17.178 14.576 1.00 0.00 C ATOM 224 O ASN A1082 -4.828 16.504 14.282 1.00 0.00 O ATOM 225 CB ASN A1082 -6.291 19.150 13.128 1.00 0.00 C ATOM 226 CG ASN A1082 -6.662 20.618 13.106 1.00 0.00 C ATOM 227 OD1 ASN A1082 -5.833 21.473 12.806 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.912 20.917 13.420 1.00 0.00 N ATOM 0 H ASN A1082 -3.765 18.952 13.983 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.426 19.113 15.263 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.526 18.961 12.375 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.162 18.555 12.854 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.219 21.890 13.419 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -8.568 20.175 13.663 1.00 0.00 H new ATOM 235 N ASP A1083 -6.969 16.659 14.969 1.00 0.00 N ATOM 236 CA ASP A1083 -7.161 15.225 15.194 1.00 0.00 C ATOM 237 C ASP A1083 -7.025 14.425 13.899 1.00 0.00 C ATOM 238 O ASP A1083 -6.768 13.221 13.922 1.00 0.00 O ATOM 239 CB ASP A1083 -8.538 14.989 15.829 1.00 0.00 C ATOM 240 CG ASP A1083 -8.900 13.521 15.958 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.363 12.846 16.859 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.746 13.043 15.173 1.00 0.00 O ATOM 0 H ASP A1083 -7.804 17.219 15.142 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.381 14.877 15.871 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -8.557 15.448 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.297 15.491 15.229 1.00 0.00 H new ATOM 247 N ASP A1084 -7.193 15.102 12.773 1.00 0.00 N ATOM 248 CA ASP A1084 -7.094 14.451 11.469 1.00 0.00 C ATOM 249 C ASP A1084 -5.638 14.387 10.999 1.00 0.00 C ATOM 250 O ASP A1084 -5.305 13.665 10.055 1.00 0.00 O ATOM 251 CB ASP A1084 -7.952 15.193 10.440 1.00 0.00 C ATOM 252 CG ASP A1084 -8.116 14.419 9.148 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.717 13.322 9.178 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.670 14.911 8.091 1.00 0.00 O ATOM 0 H ASP A1084 -7.398 16.100 12.733 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.465 13.431 11.568 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.935 15.391 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.498 16.160 10.224 1.00 0.00 H new ATOM 259 N GLU A1085 -4.770 15.132 11.673 1.00 0.00 N ATOM 260 CA GLU A1085 -3.348 15.129 11.347 1.00 0.00 C ATOM 261 C GLU A1085 -2.645 14.010 12.112 1.00 0.00 C ATOM 262 O GLU A1085 -3.101 13.594 13.180 1.00 0.00 O ATOM 263 CB GLU A1085 -2.697 16.476 11.690 1.00 0.00 C ATOM 264 CG GLU A1085 -3.346 17.677 11.025 1.00 0.00 C ATOM 265 CD GLU A1085 -2.628 18.982 11.332 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.077 19.129 12.451 1.00 0.00 O ATOM 267 OE2 GLU A1085 -2.621 19.874 10.460 1.00 0.00 O ATOM 0 H GLU A1085 -5.025 15.745 12.447 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.246 14.963 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.727 16.615 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.646 16.441 11.402 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -3.364 17.523 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.383 17.752 11.354 1.00 0.00 H new ATOM 274 N LEU A1086 -1.543 13.523 11.562 1.00 0.00 N ATOM 275 CA LEU A1086 -0.794 12.438 12.182 1.00 0.00 C ATOM 276 C LEU A1086 0.388 12.968 12.994 1.00 0.00 C ATOM 277 O LEU A1086 1.146 13.817 12.524 1.00 0.00 O ATOM 278 CB LEU A1086 -0.282 11.476 11.108 1.00 0.00 C ATOM 279 CG LEU A1086 0.255 10.143 11.629 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.890 9.250 12.059 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.089 9.454 10.567 1.00 0.00 C ATOM 0 H LEU A1086 -1.146 13.862 10.686 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.468 11.913 12.859 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.093 11.274 10.408 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.509 11.973 10.545 1.00 0.00 H new ATOM 0 HG LEU A1086 0.890 10.339 12.493 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.495 8.304 12.428 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.456 9.740 12.851 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.545 9.062 11.208 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.463 8.507 10.956 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.475 9.268 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.930 10.092 10.294 1.00 0.00 H new ATOM 293 N THR A1087 0.529 12.467 14.215 1.00 0.00 N ATOM 294 CA THR A1087 1.706 12.736 15.027 1.00 0.00 C ATOM 295 C THR A1087 2.648 11.538 14.969 1.00 0.00 C ATOM 296 O THR A1087 2.274 10.420 15.329 1.00 0.00 O ATOM 297 CB THR A1087 1.337 13.036 16.499 1.00 0.00 C ATOM 298 OG1 THR A1087 0.455 14.162 16.567 1.00 0.00 O ATOM 299 CG2 THR A1087 2.583 13.304 17.337 1.00 0.00 C ATOM 0 H THR A1087 -0.163 11.868 14.666 1.00 0.00 H new ATOM 0 HA THR A1087 2.196 13.621 14.622 1.00 0.00 H new ATOM 0 HB THR A1087 0.835 12.158 16.905 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.226 14.342 17.503 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.291 13.512 18.367 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.233 12.429 17.313 1.00 0.00 H new ATOM 0 HG23 THR A1087 3.117 14.163 16.931 1.00 0.00 H new ATOM 307 N PHE A1088 3.861 11.774 14.507 1.00 0.00 N ATOM 308 CA PHE A1088 4.841 10.716 14.342 1.00 0.00 C ATOM 309 C PHE A1088 6.225 11.220 14.698 1.00 0.00 C ATOM 310 O PHE A1088 6.628 12.306 14.287 1.00 0.00 O ATOM 311 CB PHE A1088 4.827 10.179 12.909 1.00 0.00 C ATOM 312 CG PHE A1088 4.864 11.249 11.844 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.695 11.841 11.401 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.066 11.662 11.291 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.722 12.821 10.430 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.098 12.639 10.318 1.00 0.00 C ATOM 317 CZ PHE A1088 4.925 13.221 9.889 1.00 0.00 C ATOM 0 H PHE A1088 4.194 12.699 14.237 1.00 0.00 H new ATOM 0 HA PHE A1088 4.578 9.901 15.016 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.683 9.518 12.773 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.931 9.574 12.769 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.749 11.532 11.821 1.00 0.00 H new ATOM 0 HD2 PHE A1088 6.989 11.213 11.626 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.801 13.274 10.094 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.042 12.948 9.893 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.948 13.989 9.130 1.00 0.00 H new ATOM 327 N ILE A1089 6.943 10.430 15.467 1.00 0.00 N ATOM 328 CA ILE A1089 8.280 10.795 15.884 1.00 0.00 C ATOM 329 C ILE A1089 9.326 10.138 14.997 1.00 0.00 C ATOM 330 O ILE A1089 9.041 9.145 14.326 1.00 0.00 O ATOM 331 CB ILE A1089 8.518 10.441 17.371 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.895 9.085 17.741 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.940 11.536 18.254 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.535 7.893 17.069 1.00 0.00 C ATOM 0 H ILE A1089 6.622 9.527 15.817 1.00 0.00 H new ATOM 0 HA ILE A1089 8.377 11.875 15.778 1.00 0.00 H new ATOM 0 HB ILE A1089 9.593 10.364 17.531 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.959 8.954 18.821 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.836 9.105 17.484 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.108 11.286 19.301 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.427 12.484 18.025 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.869 11.625 18.070 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.031 6.981 17.389 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.448 7.995 15.987 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.588 7.842 17.345 1.00 0.00 H new ATOM 346 N GLU A1090 10.525 10.706 14.989 1.00 0.00 N ATOM 347 CA GLU A1090 11.615 10.208 14.160 1.00 0.00 C ATOM 348 C GLU A1090 11.919 8.755 14.509 1.00 0.00 C ATOM 349 O GLU A1090 12.207 8.436 15.665 1.00 0.00 O ATOM 350 CB GLU A1090 12.861 11.082 14.350 1.00 0.00 C ATOM 351 CG GLU A1090 13.951 10.856 13.308 1.00 0.00 C ATOM 352 CD GLU A1090 14.764 9.598 13.535 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.575 9.570 14.484 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.607 8.631 12.762 1.00 0.00 O ATOM 0 H GLU A1090 10.769 11.520 15.553 1.00 0.00 H new ATOM 0 HA GLU A1090 11.315 10.255 13.113 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.563 12.130 14.325 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.276 10.892 15.340 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.492 10.807 12.321 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.622 11.715 13.306 1.00 0.00 H new ATOM 361 N GLY A1091 11.845 7.883 13.513 1.00 0.00 N ATOM 362 CA GLY A1091 12.128 6.480 13.740 1.00 0.00 C ATOM 363 C GLY A1091 10.923 5.598 13.492 1.00 0.00 C ATOM 364 O GLY A1091 11.029 4.370 13.515 1.00 0.00 O ATOM 0 H GLY A1091 11.595 8.121 12.553 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.944 6.167 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.470 6.343 14.766 1.00 0.00 H new ATOM 368 N GLU A1092 9.778 6.217 13.259 1.00 0.00 N ATOM 369 CA GLU A1092 8.559 5.479 12.958 1.00 0.00 C ATOM 370 C GLU A1092 8.446 5.158 11.472 1.00 0.00 C ATOM 371 O GLU A1092 9.038 5.828 10.627 1.00 0.00 O ATOM 372 CB GLU A1092 7.321 6.258 13.413 1.00 0.00 C ATOM 373 CG GLU A1092 6.892 5.946 14.835 1.00 0.00 C ATOM 374 CD GLU A1092 6.454 4.504 15.026 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.783 3.647 14.175 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.798 4.211 16.046 1.00 0.00 O ATOM 0 H GLU A1092 9.665 7.231 13.272 1.00 0.00 H new ATOM 0 HA GLU A1092 8.612 4.539 13.508 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.524 7.326 13.330 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.495 6.037 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.719 6.160 15.512 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.072 6.608 15.114 1.00 0.00 H new ATOM 383 N VAL A1093 7.688 4.116 11.169 1.00 0.00 N ATOM 384 CA VAL A1093 7.400 3.738 9.793 1.00 0.00 C ATOM 385 C VAL A1093 5.901 3.802 9.565 1.00 0.00 C ATOM 386 O VAL A1093 5.131 3.265 10.356 1.00 0.00 O ATOM 387 CB VAL A1093 7.898 2.315 9.457 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.606 1.962 8.003 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.380 2.188 9.747 1.00 0.00 C ATOM 0 H VAL A1093 7.256 3.510 11.867 1.00 0.00 H new ATOM 0 HA VAL A1093 7.927 4.436 9.142 1.00 0.00 H new ATOM 0 HB VAL A1093 7.359 1.611 10.090 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.967 0.955 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.531 2.006 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.111 2.672 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.713 1.179 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.932 2.908 9.142 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.562 2.386 10.803 1.00 0.00 H new ATOM 399 N ILE A1094 5.482 4.462 8.505 1.00 0.00 N ATOM 400 CA ILE A1094 4.063 4.617 8.234 1.00 0.00 C ATOM 401 C ILE A1094 3.694 3.924 6.923 1.00 0.00 C ATOM 402 O ILE A1094 4.403 4.053 5.922 1.00 0.00 O ATOM 403 CB ILE A1094 3.663 6.105 8.153 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.231 6.866 9.357 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.140 6.241 8.103 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.084 8.366 9.256 1.00 0.00 C ATOM 0 H ILE A1094 6.098 4.898 7.819 1.00 0.00 H new ATOM 0 HA ILE A1094 3.520 4.156 9.059 1.00 0.00 H new ATOM 0 HB ILE A1094 4.077 6.535 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.730 6.522 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.288 6.620 9.464 1.00 0.00 H new ATOM 0 HG21 ILE A1094 1.871 7.296 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.757 5.721 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.706 5.804 9.002 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.509 8.834 10.144 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.609 8.724 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.028 8.624 9.180 1.00 0.00 H new ATOM 418 N ILE A1095 2.603 3.175 6.940 1.00 0.00 N ATOM 419 CA ILE A1095 2.096 2.532 5.736 1.00 0.00 C ATOM 420 C ILE A1095 1.147 3.477 5.012 1.00 0.00 C ATOM 421 O ILE A1095 0.048 3.756 5.492 1.00 0.00 O ATOM 422 CB ILE A1095 1.358 1.211 6.054 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.306 0.215 6.726 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.753 0.608 4.791 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.477 -0.201 5.859 1.00 0.00 C ATOM 0 H ILE A1095 2.049 2.996 7.777 1.00 0.00 H new ATOM 0 HA ILE A1095 2.951 2.296 5.103 1.00 0.00 H new ATOM 0 HB ILE A1095 0.545 1.434 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.687 0.656 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.742 -0.674 7.008 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.239 -0.320 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.042 1.311 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.545 0.402 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.102 -0.907 6.406 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.106 -0.673 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.066 0.678 5.597 1.00 0.00 H new ATOM 437 N VAL A1096 1.581 3.968 3.866 1.00 0.00 N ATOM 438 CA VAL A1096 0.812 4.931 3.099 1.00 0.00 C ATOM 439 C VAL A1096 -0.302 4.238 2.322 1.00 0.00 C ATOM 440 O VAL A1096 -0.041 3.438 1.422 1.00 0.00 O ATOM 441 CB VAL A1096 1.715 5.695 2.109 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.947 6.822 1.439 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.954 6.229 2.810 1.00 0.00 C ATOM 0 H VAL A1096 2.473 3.712 3.442 1.00 0.00 H new ATOM 0 HA VAL A1096 0.376 5.637 3.806 1.00 0.00 H new ATOM 0 HB VAL A1096 2.037 4.997 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.603 7.347 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.098 6.410 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.588 7.519 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.576 6.764 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.656 6.908 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.520 5.398 3.232 1.00 0.00 H new ATOM 453 N THR A1097 -1.537 4.544 2.680 1.00 0.00 N ATOM 454 CA THR A1097 -2.695 3.976 2.013 1.00 0.00 C ATOM 455 C THR A1097 -3.265 4.942 0.978 1.00 0.00 C ATOM 456 O THR A1097 -3.961 4.535 0.043 1.00 0.00 O ATOM 457 CB THR A1097 -3.780 3.620 3.040 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.855 4.650 4.033 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.473 2.288 3.707 1.00 0.00 C ATOM 0 H THR A1097 -1.764 5.189 3.437 1.00 0.00 H new ATOM 0 HA THR A1097 -2.372 3.071 1.499 1.00 0.00 H new ATOM 0 HB THR A1097 -4.736 3.536 2.523 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.548 4.424 4.687 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.254 2.055 4.431 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.433 1.503 2.951 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.512 2.350 4.218 1.00 0.00 H new ATOM 467 N GLY A1098 -2.960 6.218 1.149 1.00 0.00 N ATOM 468 CA GLY A1098 -3.431 7.227 0.231 1.00 0.00 C ATOM 469 C GLY A1098 -2.618 8.493 0.335 1.00 0.00 C ATOM 470 O GLY A1098 -1.569 8.514 0.974 1.00 0.00 O ATOM 0 H GLY A1098 -2.389 6.573 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.381 6.844 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.478 7.448 0.438 1.00 0.00 H new ATOM 474 N GLU A1099 -3.094 9.548 -0.291 1.00 0.00 N ATOM 475 CA GLU A1099 -2.457 10.847 -0.185 1.00 0.00 C ATOM 476 C GLU A1099 -3.464 11.942 -0.505 1.00 0.00 C ATOM 477 O GLU A1099 -4.410 11.743 -1.270 1.00 0.00 O ATOM 478 CB GLU A1099 -1.228 10.953 -1.087 1.00 0.00 C ATOM 479 CG GLU A1099 -1.517 11.010 -2.563 1.00 0.00 C ATOM 480 CD GLU A1099 -1.853 9.654 -3.151 1.00 0.00 C ATOM 481 OE1 GLU A1099 -0.912 8.887 -3.450 1.00 0.00 O ATOM 482 OE2 GLU A1099 -3.052 9.343 -3.309 1.00 0.00 O ATOM 0 H GLU A1099 -3.925 9.533 -0.882 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.109 10.972 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.669 11.846 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -0.580 10.098 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -2.348 11.693 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.651 11.421 -3.082 1.00 0.00 H new ATOM 489 N GLU A1100 -3.252 13.087 0.102 1.00 0.00 N ATOM 490 CA GLU A1100 -4.160 14.217 -0.009 1.00 0.00 C ATOM 491 C GLU A1100 -3.518 15.285 -0.874 1.00 0.00 C ATOM 492 O GLU A1100 -4.105 15.786 -1.833 1.00 0.00 O ATOM 493 CB GLU A1100 -4.449 14.770 1.391 1.00 0.00 C ATOM 494 CG GLU A1100 -5.340 15.996 1.404 1.00 0.00 C ATOM 495 CD GLU A1100 -6.774 15.680 1.053 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.097 15.625 -0.147 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.584 15.500 1.983 1.00 0.00 O ATOM 0 H GLU A1100 -2.440 13.267 0.692 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.098 13.903 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -4.918 13.988 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -3.504 15.017 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.305 16.455 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -4.951 16.730 0.698 1.00 0.00 H new ATOM 504 N ASP A1101 -2.294 15.605 -0.521 1.00 0.00 N ATOM 505 CA ASP A1101 -1.487 16.549 -1.264 1.00 0.00 C ATOM 506 C ASP A1101 -0.180 15.863 -1.609 1.00 0.00 C ATOM 507 O ASP A1101 0.070 14.754 -1.136 1.00 0.00 O ATOM 508 CB ASP A1101 -1.234 17.806 -0.420 1.00 0.00 C ATOM 509 CG ASP A1101 -0.428 18.876 -1.131 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.000 19.605 -1.960 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.781 18.999 -0.843 1.00 0.00 O ATOM 0 H ASP A1101 -1.825 15.215 0.297 1.00 0.00 H new ATOM 0 HA ASP A1101 -1.999 16.861 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.193 18.228 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.712 17.519 0.493 1.00 0.00 H new ATOM 516 N GLN A1102 0.649 16.494 -2.408 1.00 0.00 N ATOM 517 CA GLN A1102 1.961 15.942 -2.711 1.00 0.00 C ATOM 518 C GLN A1102 2.776 15.862 -1.429 1.00 0.00 C ATOM 519 O GLN A1102 3.583 14.956 -1.232 1.00 0.00 O ATOM 520 CB GLN A1102 2.688 16.816 -3.731 1.00 0.00 C ATOM 521 CG GLN A1102 3.010 18.210 -3.223 1.00 0.00 C ATOM 522 CD GLN A1102 3.684 19.067 -4.271 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.910 19.085 -4.383 1.00 0.00 O ATOM 524 NE2 GLN A1102 2.887 19.780 -5.050 1.00 0.00 N ATOM 0 H GLN A1102 0.446 17.385 -2.861 1.00 0.00 H new ATOM 0 HA GLN A1102 1.839 14.946 -3.136 1.00 0.00 H new ATOM 0 HB2 GLN A1102 3.615 16.323 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.074 16.899 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A1102 2.090 18.696 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.657 18.134 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A1102 1.876 19.735 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A1102 3.284 20.374 -5.778 1.00 0.00 H new ATOM 533 N GLU A1103 2.517 16.820 -0.560 1.00 0.00 N ATOM 534 CA GLU A1103 3.249 16.971 0.678 1.00 0.00 C ATOM 535 C GLU A1103 2.440 16.449 1.872 1.00 0.00 C ATOM 536 O GLU A1103 2.891 16.510 3.014 1.00 0.00 O ATOM 537 CB GLU A1103 3.582 18.450 0.852 1.00 0.00 C ATOM 538 CG GLU A1103 4.532 18.740 1.984 1.00 0.00 C ATOM 539 CD GLU A1103 4.828 20.213 2.114 1.00 0.00 C ATOM 540 OE1 GLU A1103 3.908 21.029 1.885 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.979 20.562 2.452 1.00 0.00 O ATOM 0 H GLU A1103 1.787 17.519 -0.696 1.00 0.00 H new ATOM 0 HA GLU A1103 4.165 16.382 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A1103 4.015 18.825 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.657 19.002 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.106 18.373 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.463 18.197 1.823 1.00 0.00 H new ATOM 548 N TRP A1104 1.252 15.926 1.611 1.00 0.00 N ATOM 549 CA TRP A1104 0.397 15.408 2.678 1.00 0.00 C ATOM 550 C TRP A1104 -0.217 14.075 2.292 1.00 0.00 C ATOM 551 O TRP A1104 -1.202 14.028 1.568 1.00 0.00 O ATOM 552 CB TRP A1104 -0.711 16.403 3.028 1.00 0.00 C ATOM 553 CG TRP A1104 -0.233 17.540 3.869 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.228 18.746 3.435 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.163 17.575 5.298 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.582 19.524 4.503 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.352 18.828 5.657 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.487 16.667 6.308 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.553 19.198 6.979 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.287 17.037 7.623 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.229 18.293 7.947 1.00 0.00 C ATOM 0 H TRP A1104 0.855 15.847 0.675 1.00 0.00 H new ATOM 0 HA TRP A1104 1.028 15.261 3.554 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.142 16.796 2.107 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.508 15.879 3.555 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.303 19.044 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A1104 0.957 20.471 4.447 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.887 15.693 6.065 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 0.952 20.169 7.233 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.534 16.344 8.414 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.375 18.553 8.985 1.00 0.00 H new ATOM 572 N TRP A1105 0.372 13.000 2.781 1.00 0.00 N ATOM 573 CA TRP A1105 -0.085 11.656 2.471 1.00 0.00 C ATOM 574 C TRP A1105 -0.912 11.074 3.604 1.00 0.00 C ATOM 575 O TRP A1105 -0.876 11.562 4.730 1.00 0.00 O ATOM 576 CB TRP A1105 1.113 10.760 2.159 1.00 0.00 C ATOM 577 CG TRP A1105 1.719 11.105 0.844 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.451 12.222 0.120 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.676 10.356 0.094 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.139 12.207 -1.048 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.919 11.077 -1.090 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.348 9.147 0.299 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.804 10.628 -2.064 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.227 8.706 -0.668 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.448 9.445 -1.836 1.00 0.00 C ATOM 0 H TRP A1105 1.179 13.032 3.403 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.729 11.708 1.593 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.861 10.863 2.945 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.798 9.717 2.154 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.783 13.012 0.431 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.086 12.919 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.182 8.570 1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.976 11.194 -2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.754 7.775 -0.522 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.143 9.072 -2.573 1.00 0.00 H new ATOM 596 N ILE A1106 -1.659 10.032 3.292 1.00 0.00 N ATOM 597 CA ILE A1106 -2.557 9.415 4.249 1.00 0.00 C ATOM 598 C ILE A1106 -2.167 7.968 4.460 1.00 0.00 C ATOM 599 O ILE A1106 -1.791 7.278 3.513 1.00 0.00 O ATOM 600 CB ILE A1106 -4.010 9.452 3.749 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.371 10.854 3.269 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.961 9.001 4.852 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.656 10.895 2.491 1.00 0.00 C ATOM 0 H ILE A1106 -1.661 9.591 2.372 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.482 9.974 5.182 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.107 8.765 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.453 11.517 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.563 11.238 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.986 9.032 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.714 7.982 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.864 9.665 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -5.859 11.919 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.570 10.256 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.473 10.540 3.119 1.00 0.00 H new ATOM 615 N GLY A1107 -2.237 7.505 5.689 1.00 0.00 N ATOM 616 CA GLY A1107 -1.964 6.113 5.934 1.00 0.00 C ATOM 617 C GLY A1107 -2.120 5.723 7.377 1.00 0.00 C ATOM 618 O GLY A1107 -2.747 6.436 8.163 1.00 0.00 O ATOM 0 H GLY A1107 -2.475 8.058 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.634 5.506 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.948 5.887 5.611 1.00 0.00 H new ATOM 622 N HIS A1108 -1.542 4.587 7.717 1.00 0.00 N ATOM 623 CA HIS A1108 -1.570 4.069 9.075 1.00 0.00 C ATOM 624 C HIS A1108 -0.190 3.518 9.409 1.00 0.00 C ATOM 625 O HIS A1108 0.440 2.866 8.581 1.00 0.00 O ATOM 626 CB HIS A1108 -2.658 2.989 9.245 1.00 0.00 C ATOM 627 CG HIS A1108 -2.496 1.768 8.384 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.273 1.520 7.274 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.658 0.708 8.492 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.919 0.367 6.740 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.941 -0.146 7.458 1.00 0.00 N ATOM 0 H HIS A1108 -1.038 3.994 7.058 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.821 4.874 9.765 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.675 2.677 10.289 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.628 3.438 9.030 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.906 0.563 9.253 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.358 -0.082 5.861 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.472 -1.033 7.275 1.00 0.00 H new ATOM 640 N ILE A1109 0.281 3.803 10.605 1.00 0.00 N ATOM 641 CA ILE A1109 1.636 3.455 11.002 1.00 0.00 C ATOM 642 C ILE A1109 1.850 1.942 11.066 1.00 0.00 C ATOM 643 O ILE A1109 0.969 1.186 11.479 1.00 0.00 O ATOM 644 CB ILE A1109 1.983 4.141 12.342 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.153 5.642 12.079 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.225 3.541 12.990 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.825 6.411 13.192 1.00 0.00 C ATOM 0 H ILE A1109 -0.258 4.279 11.328 1.00 0.00 H new ATOM 0 HA ILE A1109 2.319 3.823 10.236 1.00 0.00 H new ATOM 0 HB ILE A1109 1.172 3.978 13.052 1.00 0.00 H new ATOM 0 HG12 ILE A1109 2.733 5.772 11.165 1.00 0.00 H new ATOM 0 HG13 ILE A1109 1.170 6.078 11.898 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.430 4.055 13.929 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.058 2.482 13.185 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.077 3.657 12.320 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.900 7.462 12.914 1.00 0.00 H new ATOM 0 HD12 ILE A1109 2.237 6.318 14.105 1.00 0.00 H new ATOM 0 HD13 ILE A1109 3.824 6.008 13.361 1.00 0.00 H new ATOM 659 N GLU A1110 3.031 1.520 10.623 1.00 0.00 N ATOM 660 CA GLU A1110 3.383 0.111 10.524 1.00 0.00 C ATOM 661 C GLU A1110 3.580 -0.471 11.919 1.00 0.00 C ATOM 662 O GLU A1110 4.354 0.060 12.718 1.00 0.00 O ATOM 663 CB GLU A1110 4.662 -0.028 9.687 1.00 0.00 C ATOM 664 CG GLU A1110 4.876 -1.400 9.058 1.00 0.00 C ATOM 665 CD GLU A1110 5.289 -2.468 10.048 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.475 -2.495 10.444 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.438 -3.297 10.420 1.00 0.00 O ATOM 0 H GLU A1110 3.773 2.151 10.321 1.00 0.00 H new ATOM 0 HA GLU A1110 2.580 -0.441 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.642 0.719 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.519 0.202 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A1110 3.955 -1.711 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.640 -1.320 8.285 1.00 0.00 H new ATOM 674 N GLY A1111 2.869 -1.546 12.211 1.00 0.00 N ATOM 675 CA GLY A1111 2.947 -2.152 13.523 1.00 0.00 C ATOM 676 C GLY A1111 1.837 -1.665 14.425 1.00 0.00 C ATOM 677 O GLY A1111 1.247 -2.441 15.177 1.00 0.00 O ATOM 0 H GLY A1111 2.236 -2.012 11.561 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.891 -3.236 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.912 -1.921 13.975 1.00 0.00 H new ATOM 681 N GLN A1112 1.554 -0.371 14.348 1.00 0.00 N ATOM 682 CA GLN A1112 0.478 0.228 15.121 1.00 0.00 C ATOM 683 C GLN A1112 -0.608 0.768 14.196 1.00 0.00 C ATOM 684 O GLN A1112 -0.649 1.967 13.915 1.00 0.00 O ATOM 685 CB GLN A1112 0.994 1.367 16.008 1.00 0.00 C ATOM 686 CG GLN A1112 1.817 0.927 17.211 1.00 0.00 C ATOM 687 CD GLN A1112 3.237 0.526 16.861 1.00 0.00 C ATOM 688 OE1 GLN A1112 3.538 -0.645 16.640 1.00 0.00 O ATOM 689 NE2 GLN A1112 4.116 1.508 16.794 1.00 0.00 N ATOM 0 H GLN A1112 2.059 0.286 13.754 1.00 0.00 H new ATOM 0 HA GLN A1112 0.063 -0.552 15.758 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.601 2.036 15.397 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.141 1.945 16.363 1.00 0.00 H new ATOM 0 HG2 GLN A1112 1.846 1.739 17.937 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.319 0.086 17.693 1.00 0.00 H new ATOM 0 HE21 GLN A1112 3.825 2.467 16.985 1.00 0.00 H new ATOM 0 HE22 GLN A1112 5.086 1.308 16.551 1.00 0.00 H new ATOM 698 N PRO A1113 -1.515 -0.105 13.721 1.00 0.00 N ATOM 699 CA PRO A1113 -2.606 0.289 12.819 1.00 0.00 C ATOM 700 C PRO A1113 -3.627 1.186 13.512 1.00 0.00 C ATOM 701 O PRO A1113 -4.586 1.645 12.896 1.00 0.00 O ATOM 702 CB PRO A1113 -3.254 -1.044 12.417 1.00 0.00 C ATOM 703 CG PRO A1113 -2.271 -2.091 12.817 1.00 0.00 C ATOM 704 CD PRO A1113 -1.557 -1.543 14.014 1.00 0.00 C ATOM 0 HA PRO A1113 -2.239 0.866 11.970 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.209 -1.186 12.923 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.452 -1.078 11.346 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.773 -3.028 13.056 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.572 -2.302 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.093 -1.754 14.939 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.558 -1.966 14.121 1.00 0.00 H new ATOM 712 N GLU A1114 -3.416 1.410 14.802 1.00 0.00 N ATOM 713 CA GLU A1114 -4.244 2.320 15.576 1.00 0.00 C ATOM 714 C GLU A1114 -3.879 3.766 15.252 1.00 0.00 C ATOM 715 O GLU A1114 -4.712 4.667 15.346 1.00 0.00 O ATOM 716 CB GLU A1114 -4.066 2.039 17.071 1.00 0.00 C ATOM 717 CG GLU A1114 -4.820 2.998 17.975 1.00 0.00 C ATOM 718 CD GLU A1114 -4.753 2.592 19.431 1.00 0.00 C ATOM 719 OE1 GLU A1114 -3.642 2.606 20.009 1.00 0.00 O ATOM 720 OE2 GLU A1114 -5.810 2.267 20.007 1.00 0.00 O ATOM 0 H GLU A1114 -2.669 0.968 15.338 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.291 2.164 15.314 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -4.397 1.022 17.281 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -3.005 2.085 17.315 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -4.408 4.001 17.861 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -5.863 3.045 17.661 1.00 0.00 H new ATOM 727 N ARG A1115 -2.630 3.979 14.851 1.00 0.00 N ATOM 728 CA ARG A1115 -2.169 5.311 14.479 1.00 0.00 C ATOM 729 C ARG A1115 -2.386 5.546 12.993 1.00 0.00 C ATOM 730 O ARG A1115 -1.522 5.227 12.174 1.00 0.00 O ATOM 731 CB ARG A1115 -0.682 5.513 14.807 1.00 0.00 C ATOM 732 CG ARG A1115 -0.376 5.814 16.268 1.00 0.00 C ATOM 733 CD ARG A1115 -0.702 4.643 17.174 1.00 0.00 C ATOM 734 NE ARG A1115 -0.227 4.854 18.544 1.00 0.00 N ATOM 735 CZ ARG A1115 -1.021 5.102 19.588 1.00 0.00 C ATOM 736 NH1 ARG A1115 -2.323 5.291 19.416 1.00 0.00 N ATOM 737 NH2 ARG A1115 -0.500 5.193 20.805 1.00 0.00 N ATOM 0 H ARG A1115 -1.921 3.249 14.776 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.750 6.027 15.060 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.137 4.615 14.516 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.299 6.331 14.196 1.00 0.00 H new ATOM 0 HG2 ARG A1115 0.679 6.069 16.372 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -0.947 6.687 16.585 1.00 0.00 H new ATOM 0 HD2 ARG A1115 -1.780 4.484 17.186 1.00 0.00 H new ATOM 0 HD3 ARG A1115 -0.251 3.737 16.770 1.00 0.00 H new ATOM 0 HE ARG A1115 0.778 4.808 18.711 1.00 0.00 H new ATOM 0 HH11 ARG A1115 -2.725 5.247 18.480 1.00 0.00 H new ATOM 0 HH12 ARG A1115 -2.922 5.480 20.220 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.504 5.074 20.940 1.00 0.00 H new ATOM 0 HH22 ARG A1115 -1.103 5.382 21.605 1.00 0.00 H new ATOM 751 N LYS A1116 -3.543 6.082 12.639 1.00 0.00 N ATOM 752 CA LYS A1116 -3.802 6.455 11.258 1.00 0.00 C ATOM 753 C LYS A1116 -4.049 7.954 11.178 1.00 0.00 C ATOM 754 O LYS A1116 -4.440 8.575 12.169 1.00 0.00 O ATOM 755 CB LYS A1116 -5.008 5.718 10.668 1.00 0.00 C ATOM 756 CG LYS A1116 -5.237 4.316 11.207 1.00 0.00 C ATOM 757 CD LYS A1116 -6.244 4.312 12.348 1.00 0.00 C ATOM 758 CE LYS A1116 -7.339 3.288 12.106 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.340 3.272 13.205 1.00 0.00 N ATOM 0 H LYS A1116 -4.312 6.267 13.283 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.925 6.174 10.676 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.903 6.312 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.884 5.658 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.593 3.671 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.291 3.900 11.554 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.735 4.090 13.286 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.685 5.303 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.839 3.509 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -6.894 2.298 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.069 2.559 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.868 3.036 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.784 4.209 13.284 1.00 0.00 H new ATOM 773 N GLY A1117 -3.830 8.532 10.011 1.00 0.00 N ATOM 774 CA GLY A1117 -4.047 9.952 9.842 1.00 0.00 C ATOM 775 C GLY A1117 -3.374 10.488 8.602 1.00 0.00 C ATOM 776 O GLY A1117 -2.919 9.716 7.750 1.00 0.00 O ATOM 0 H GLY A1117 -3.506 8.044 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.117 10.150 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.669 10.482 10.716 1.00 0.00 H new ATOM 780 N VAL A1118 -3.318 11.806 8.496 1.00 0.00 N ATOM 781 CA VAL A1118 -2.666 12.453 7.373 1.00 0.00 C ATOM 782 C VAL A1118 -1.332 13.038 7.820 1.00 0.00 C ATOM 783 O VAL A1118 -1.283 13.909 8.691 1.00 0.00 O ATOM 784 CB VAL A1118 -3.545 13.569 6.768 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.969 14.045 5.443 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.977 13.085 6.585 1.00 0.00 C ATOM 0 H VAL A1118 -3.719 12.450 9.178 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.503 11.699 6.603 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.554 14.410 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.602 14.831 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.964 14.435 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.928 13.210 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.580 13.886 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.988 12.226 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.390 12.796 7.552 1.00 0.00 H new ATOM 796 N PHE A1119 -0.258 12.535 7.239 1.00 0.00 N ATOM 797 CA PHE A1119 1.089 12.941 7.617 1.00 0.00 C ATOM 798 C PHE A1119 1.771 13.768 6.524 1.00 0.00 C ATOM 799 O PHE A1119 1.649 13.477 5.334 1.00 0.00 O ATOM 800 CB PHE A1119 1.936 11.707 7.947 1.00 0.00 C ATOM 801 CG PHE A1119 1.814 10.580 6.959 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.784 9.663 7.075 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.729 10.427 5.928 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.666 8.618 6.186 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.616 9.377 5.036 1.00 0.00 C ATOM 806 CZ PHE A1119 1.580 8.472 5.166 1.00 0.00 C ATOM 0 H PHE A1119 -0.291 11.837 6.496 1.00 0.00 H new ATOM 0 HA PHE A1119 1.003 13.574 8.500 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.982 12.007 8.008 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.651 11.340 8.933 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.064 9.768 7.873 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.538 11.135 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.145 7.912 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.336 9.264 4.239 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.487 7.652 4.469 1.00 0.00 H new ATOM 816 N PRO A1120 2.488 14.828 6.934 1.00 0.00 N ATOM 817 CA PRO A1120 3.286 15.657 6.024 1.00 0.00 C ATOM 818 C PRO A1120 4.544 14.937 5.540 1.00 0.00 C ATOM 819 O PRO A1120 5.338 14.442 6.346 1.00 0.00 O ATOM 820 CB PRO A1120 3.676 16.860 6.884 1.00 0.00 C ATOM 821 CG PRO A1120 3.638 16.360 8.284 1.00 0.00 C ATOM 822 CD PRO A1120 2.565 15.307 8.326 1.00 0.00 C ATOM 0 HA PRO A1120 2.730 15.917 5.123 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.669 17.227 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.982 17.689 6.742 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.603 15.944 8.575 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.417 17.169 8.980 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.822 14.501 9.013 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.613 15.719 8.661 1.00 0.00 H new ATOM 830 N VAL A1121 4.732 14.900 4.226 1.00 0.00 N ATOM 831 CA VAL A1121 5.928 14.312 3.633 1.00 0.00 C ATOM 832 C VAL A1121 7.157 15.152 4.006 1.00 0.00 C ATOM 833 O VAL A1121 8.300 14.716 3.874 1.00 0.00 O ATOM 834 CB VAL A1121 5.791 14.196 2.091 1.00 0.00 C ATOM 835 CG1 VAL A1121 7.041 13.598 1.461 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.572 13.361 1.715 1.00 0.00 C ATOM 0 H VAL A1121 4.068 15.272 3.547 1.00 0.00 H new ATOM 0 HA VAL A1121 6.052 13.304 4.029 1.00 0.00 H new ATOM 0 HB VAL A1121 5.663 15.206 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.908 13.532 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.899 14.232 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.212 12.601 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.497 13.294 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.673 12.360 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.672 13.831 2.112 1.00 0.00 H new ATOM 846 N SER A1122 6.896 16.349 4.521 1.00 0.00 N ATOM 847 CA SER A1122 7.942 17.266 4.951 1.00 0.00 C ATOM 848 C SER A1122 8.794 16.667 6.070 1.00 0.00 C ATOM 849 O SER A1122 9.956 17.035 6.241 1.00 0.00 O ATOM 850 CB SER A1122 7.305 18.570 5.428 1.00 0.00 C ATOM 851 OG SER A1122 6.124 18.850 4.695 1.00 0.00 O ATOM 0 H SER A1122 5.951 16.710 4.652 1.00 0.00 H new ATOM 0 HA SER A1122 8.598 17.457 4.101 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.071 18.499 6.490 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.014 19.390 5.312 1.00 0.00 H new ATOM 0 HG SER A1122 6.325 19.496 3.986 1.00 0.00 H new ATOM 857 N PHE A1123 8.218 15.744 6.831 1.00 0.00 N ATOM 858 CA PHE A1123 8.907 15.182 7.985 1.00 0.00 C ATOM 859 C PHE A1123 9.179 13.691 7.792 1.00 0.00 C ATOM 860 O PHE A1123 9.669 13.013 8.702 1.00 0.00 O ATOM 861 CB PHE A1123 8.085 15.392 9.264 1.00 0.00 C ATOM 862 CG PHE A1123 7.832 16.835 9.646 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.246 17.725 8.757 1.00 0.00 C ATOM 864 CD2 PHE A1123 8.155 17.292 10.915 1.00 0.00 C ATOM 865 CE1 PHE A1123 6.993 19.026 9.115 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.898 18.598 11.284 1.00 0.00 C ATOM 867 CZ PHE A1123 7.314 19.465 10.381 1.00 0.00 C ATOM 0 H PHE A1123 7.282 15.371 6.671 1.00 0.00 H new ATOM 0 HA PHE A1123 9.860 15.702 8.083 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.124 14.892 9.144 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.599 14.900 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A1123 6.984 17.388 7.765 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.613 16.618 11.624 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.543 19.704 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A1123 8.153 18.940 12.276 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.109 20.486 10.667 1.00 0.00 H new ATOM 877 N VAL A1124 8.874 13.176 6.607 1.00 0.00 N ATOM 878 CA VAL A1124 9.068 11.749 6.331 1.00 0.00 C ATOM 879 C VAL A1124 9.809 11.526 5.018 1.00 0.00 C ATOM 880 O VAL A1124 9.777 12.363 4.123 1.00 0.00 O ATOM 881 CB VAL A1124 7.734 10.962 6.289 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.109 10.866 7.668 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.756 11.599 5.322 1.00 0.00 C ATOM 0 H VAL A1124 8.496 13.714 5.827 1.00 0.00 H new ATOM 0 HA VAL A1124 9.668 11.372 7.159 1.00 0.00 H new ATOM 0 HB VAL A1124 7.963 9.954 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.175 10.308 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.794 10.353 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.909 11.868 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.829 11.026 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.548 12.622 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.187 11.608 4.321 1.00 0.00 H new ATOM 893 N HIS A1125 10.481 10.391 4.918 1.00 0.00 N ATOM 894 CA HIS A1125 11.211 10.030 3.714 1.00 0.00 C ATOM 895 C HIS A1125 10.621 8.749 3.142 1.00 0.00 C ATOM 896 O HIS A1125 10.388 7.791 3.876 1.00 0.00 O ATOM 897 CB HIS A1125 12.694 9.846 4.042 1.00 0.00 C ATOM 898 CG HIS A1125 13.624 10.504 3.068 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.413 11.765 2.551 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.791 10.075 2.534 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.408 12.079 1.745 1.00 0.00 C ATOM 902 NE2 HIS A1125 15.259 11.074 1.717 1.00 0.00 N ATOM 0 H HIS A1125 10.536 9.698 5.664 1.00 0.00 H new ATOM 0 HA HIS A1125 11.123 10.824 2.972 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.887 10.245 5.038 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.917 8.780 4.077 1.00 0.00 H new ATOM 0 HD2 HIS A1125 15.266 9.123 2.717 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.509 13.005 1.199 1.00 0.00 H new ATOM 0 HE2 HIS A1125 16.124 11.043 1.177 1.00 0.00 H new ATOM 911 N ILE A1126 10.375 8.735 1.844 1.00 0.00 N ATOM 912 CA ILE A1126 9.649 7.640 1.214 1.00 0.00 C ATOM 913 C ILE A1126 10.565 6.461 0.897 1.00 0.00 C ATOM 914 O ILE A1126 11.621 6.623 0.288 1.00 0.00 O ATOM 915 CB ILE A1126 8.949 8.134 -0.063 1.00 0.00 C ATOM 916 CG1 ILE A1126 8.045 9.322 0.283 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.140 7.012 -0.705 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.467 10.018 -0.916 1.00 0.00 C ATOM 0 H ILE A1126 10.667 9.471 1.201 1.00 0.00 H new ATOM 0 HA ILE A1126 8.898 7.289 1.922 1.00 0.00 H new ATOM 0 HB ILE A1126 9.703 8.453 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.229 8.973 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A1126 8.617 10.042 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A1126 7.654 7.384 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A1126 8.804 6.187 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.383 6.661 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.839 10.847 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.275 10.400 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A1126 6.866 9.313 -1.491 1.00 0.00 H new ATOM 930 N LEU A1127 10.142 5.273 1.321 1.00 0.00 N ATOM 931 CA LEU A1127 10.946 4.059 1.178 1.00 0.00 C ATOM 932 C LEU A1127 10.585 3.293 -0.083 1.00 0.00 C ATOM 933 O LEU A1127 11.461 2.780 -0.781 1.00 0.00 O ATOM 934 CB LEU A1127 10.760 3.148 2.391 1.00 0.00 C ATOM 935 CG LEU A1127 11.786 3.328 3.510 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.839 4.773 3.975 1.00 0.00 C ATOM 937 CD2 LEU A1127 11.468 2.406 4.674 1.00 0.00 C ATOM 0 H LEU A1127 9.239 5.123 1.771 1.00 0.00 H new ATOM 0 HA LEU A1127 11.989 4.369 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.765 3.318 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A1127 10.793 2.112 2.054 1.00 0.00 H new ATOM 0 HG LEU A1127 12.767 3.065 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.577 4.872 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A1127 12.119 5.414 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.859 5.071 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.208 2.547 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A1127 10.476 2.638 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A1127 11.491 1.370 4.335 1.00 0.00 H new ATOM 949 N SER A1128 9.294 3.205 -0.366 1.00 0.00 N ATOM 950 CA SER A1128 8.812 2.498 -1.547 1.00 0.00 C ATOM 951 C SER A1128 8.980 3.362 -2.793 1.00 0.00 C ATOM 952 O SER A1128 8.006 3.744 -3.445 1.00 0.00 O ATOM 953 CB SER A1128 7.352 2.095 -1.355 1.00 0.00 C ATOM 954 OG SER A1128 7.198 1.335 -0.166 1.00 0.00 O ATOM 0 H SER A1128 8.557 3.616 0.208 1.00 0.00 H new ATOM 0 HA SER A1128 9.405 1.593 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A1128 6.726 2.986 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.014 1.513 -2.212 1.00 0.00 H new ATOM 0 HG SER A1128 6.695 0.517 -0.363 1.00 0.00 H new ATOM 960 N ASP A1129 10.227 3.669 -3.100 1.00 0.00 N ATOM 961 CA ASP A1129 10.577 4.475 -4.254 1.00 0.00 C ATOM 962 C ASP A1129 11.921 4.024 -4.798 1.00 0.00 C ATOM 963 O ASP A1129 11.958 3.430 -5.892 1.00 0.00 O ATOM 964 CB ASP A1129 10.631 5.956 -3.879 1.00 0.00 C ATOM 965 CG ASP A1129 11.208 6.810 -4.989 1.00 0.00 C ATOM 966 OD1 ASP A1129 10.461 7.180 -5.915 1.00 0.00 O ATOM 967 OD2 ASP A1129 12.417 7.118 -4.941 1.00 0.00 O ATOM 968 OXT ASP A1129 12.936 4.219 -4.103 1.00 0.00 O ATOM 0 H ASP A1129 11.031 3.364 -2.551 1.00 0.00 H new ATOM 0 HA ASP A1129 9.814 4.345 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A1129 9.626 6.305 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A1129 11.233 6.079 -2.979 1.00 0.00 H new ATOM 974 N CYS B1578 17.844 8.558 13.575 1.00 0.00 N ATOM 975 CA CYS B1578 18.692 9.737 13.302 1.00 0.00 C ATOM 976 C CYS B1578 17.873 10.842 12.657 1.00 0.00 C ATOM 977 O CYS B1578 17.253 10.632 11.612 1.00 0.00 O ATOM 978 CB CYS B1578 19.835 9.349 12.365 1.00 0.00 C ATOM 979 SG CYS B1578 20.789 7.919 12.918 1.00 0.00 S ATOM 0 HA CYS B1578 19.097 10.097 14.248 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.425 9.139 11.377 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.507 10.201 12.257 1.00 0.00 H new ATOM 0 HG CYS B1578 21.731 7.667 12.059 1.00 0.00 H new ATOM 987 N ILE B1579 17.864 12.015 13.276 1.00 0.00 N ATOM 988 CA ILE B1579 17.162 13.152 12.709 1.00 0.00 C ATOM 989 C ILE B1579 17.902 13.673 11.492 1.00 0.00 C ATOM 990 O ILE B1579 19.092 13.996 11.555 1.00 0.00 O ATOM 991 CB ILE B1579 16.976 14.308 13.718 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.929 13.939 14.767 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.578 15.597 13.002 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.521 15.110 15.632 1.00 0.00 C ATOM 0 H ILE B1579 18.331 12.201 14.163 1.00 0.00 H new ATOM 0 HA ILE B1579 16.172 12.793 12.429 1.00 0.00 H new ATOM 0 HB ILE B1579 17.929 14.476 14.220 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.047 13.539 14.267 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.323 13.145 15.402 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.453 16.396 13.733 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.357 15.874 12.292 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.640 15.443 12.469 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.775 14.784 16.357 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.394 15.496 16.158 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.099 15.896 15.005 1.00 0.00 H new ATOM 1006 N ILE B1580 17.195 13.722 10.385 1.00 0.00 N ATOM 1007 CA ILE B1580 17.730 14.285 9.164 1.00 0.00 C ATOM 1008 C ILE B1580 17.844 15.793 9.305 1.00 0.00 C ATOM 1009 O ILE B1580 16.903 16.437 9.723 1.00 0.00 O ATOM 1010 CB ILE B1580 16.840 13.907 7.950 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.327 12.605 7.324 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.781 15.011 6.906 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.278 11.442 8.280 1.00 0.00 C ATOM 0 H ILE B1580 16.239 13.375 10.305 1.00 0.00 H new ATOM 0 HA ILE B1580 18.723 13.873 8.987 1.00 0.00 H new ATOM 0 HB ILE B1580 15.825 13.770 8.324 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.716 12.377 6.450 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.350 12.737 6.972 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.146 14.696 6.078 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.370 15.915 7.355 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.785 15.215 6.535 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.636 10.543 7.778 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.911 11.653 9.142 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.251 11.287 8.612 1.00 0.00 H new ATOM 1025 N SER B1581 19.022 16.321 9.024 1.00 0.00 N ATOM 1026 CA SER B1581 19.245 17.763 8.974 1.00 0.00 C ATOM 1027 C SER B1581 18.685 18.489 10.212 1.00 0.00 C ATOM 1028 O SER B1581 18.755 17.980 11.337 1.00 0.00 O ATOM 1029 CB SER B1581 18.596 18.306 7.703 1.00 0.00 C ATOM 1030 OG SER B1581 19.097 17.648 6.548 1.00 0.00 O ATOM 0 H SER B1581 19.854 15.766 8.823 1.00 0.00 H new ATOM 0 HA SER B1581 20.319 17.947 8.968 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.515 18.175 7.759 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.784 19.377 7.625 1.00 0.00 H new ATOM 0 HG SER B1581 18.663 18.014 5.749 1.00 0.00 H new ATOM 1036 N ALA B1582 18.157 19.691 9.995 1.00 0.00 N ATOM 1037 CA ALA B1582 17.470 20.434 11.034 1.00 0.00 C ATOM 1038 C ALA B1582 15.965 20.373 10.791 1.00 0.00 C ATOM 1039 O ALA B1582 15.517 20.402 9.643 1.00 0.00 O ATOM 1040 CB ALA B1582 17.955 21.875 11.058 1.00 0.00 C ATOM 0 H ALA B1582 18.196 20.171 9.096 1.00 0.00 H new ATOM 0 HA ALA B1582 17.689 19.988 12.004 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.432 22.422 11.842 1.00 0.00 H new ATOM 0 HB2 ALA B1582 19.027 21.895 11.255 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.755 22.342 10.094 1.00 0.00 H new ATOM 1046 N MET B1583 15.204 20.303 11.878 1.00 0.00 N ATOM 1047 CA MET B1583 13.754 20.110 11.826 1.00 0.00 C ATOM 1048 C MET B1583 13.053 21.080 10.873 1.00 0.00 C ATOM 1049 O MET B1583 13.349 22.273 10.856 1.00 0.00 O ATOM 1050 CB MET B1583 13.170 20.249 13.232 1.00 0.00 C ATOM 1051 CG MET B1583 11.656 20.330 13.259 1.00 0.00 C ATOM 1052 SD MET B1583 10.946 19.432 14.640 1.00 0.00 S ATOM 1053 CE MET B1583 11.364 17.761 14.155 1.00 0.00 C ATOM 0 H MET B1583 15.574 20.379 12.825 1.00 0.00 H new ATOM 0 HA MET B1583 13.578 19.107 11.437 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.490 19.399 13.834 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.581 21.144 13.700 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.352 21.375 13.314 1.00 0.00 H new ATOM 0 HG3 MET B1583 11.257 19.931 12.326 1.00 0.00 H new ATOM 0 HE1 MET B1583 11.623 17.179 15.040 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.510 17.302 13.657 1.00 0.00 H new ATOM 0 HE3 MET B1583 12.214 17.782 13.473 1.00 0.00 H new ATOM 1063 N PRO B1584 12.099 20.561 10.077 1.00 0.00 N ATOM 1064 CA PRO B1584 11.311 21.345 9.151 1.00 0.00 C ATOM 1065 C PRO B1584 10.073 21.900 9.826 1.00 0.00 C ATOM 1066 O PRO B1584 9.887 21.748 11.034 1.00 0.00 O ATOM 1067 CB PRO B1584 10.938 20.326 8.081 1.00 0.00 C ATOM 1068 CG PRO B1584 10.807 19.042 8.819 1.00 0.00 C ATOM 1069 CD PRO B1584 11.692 19.147 10.036 1.00 0.00 C ATOM 0 HA PRO B1584 11.842 22.212 8.757 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.006 20.595 7.584 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.704 20.263 7.308 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.771 18.866 9.108 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.109 18.203 8.192 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.156 18.862 10.942 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.556 18.488 9.956 1.00 0.00 H new ATOM 1077 N THR B1585 9.234 22.538 9.054 1.00 0.00 N ATOM 1078 CA THR B1585 8.035 23.142 9.582 1.00 0.00 C ATOM 1079 C THR B1585 6.841 22.631 8.806 1.00 0.00 C ATOM 1080 O THR B1585 6.903 22.523 7.582 1.00 0.00 O ATOM 1081 CB THR B1585 8.102 24.676 9.483 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.321 25.143 10.075 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.915 25.326 10.181 1.00 0.00 C ATOM 0 H THR B1585 9.359 22.655 8.048 1.00 0.00 H new ATOM 0 HA THR B1585 7.940 22.874 10.634 1.00 0.00 H new ATOM 0 HB THR B1585 8.071 24.951 8.429 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.363 26.120 10.010 1.00 0.00 H new ATOM 0 HG21 THR B1585 6.991 26.410 10.094 1.00 0.00 H new ATOM 0 HG22 THR B1585 5.989 24.988 9.715 1.00 0.00 H new ATOM 0 HG23 THR B1585 6.914 25.046 11.234 1.00 0.00 H new ATOM 1091 N LYS B1586 5.785 22.270 9.516 1.00 0.00 N ATOM 1092 CA LYS B1586 4.564 21.827 8.875 1.00 0.00 C ATOM 1093 C LYS B1586 4.097 22.884 7.881 1.00 0.00 C ATOM 1094 O LYS B1586 3.626 23.954 8.268 1.00 0.00 O ATOM 1095 CB LYS B1586 3.489 21.535 9.921 1.00 0.00 C ATOM 1096 CG LYS B1586 2.148 21.164 9.320 1.00 0.00 C ATOM 1097 CD LYS B1586 1.254 20.447 10.323 1.00 0.00 C ATOM 1098 CE LYS B1586 1.246 21.129 11.680 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.464 20.355 12.687 1.00 0.00 N ATOM 0 H LYS B1586 5.751 22.276 10.535 1.00 0.00 H new ATOM 0 HA LYS B1586 4.755 20.902 8.331 1.00 0.00 H new ATOM 0 HB2 LYS B1586 3.828 20.722 10.563 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.364 22.412 10.557 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.647 22.065 8.967 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.304 20.525 8.451 1.00 0.00 H new ATOM 0 HD2 LYS B1586 0.237 20.405 9.934 1.00 0.00 H new ATOM 0 HD3 LYS B1586 1.594 19.418 10.438 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.271 21.250 12.031 1.00 0.00 H new ATOM 0 HE3 LYS B1586 0.822 22.128 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.179 20.985 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 -0.384 19.956 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 1.051 19.584 13.064 1.00 0.00 H new ATOM 1113 N SER B1587 4.251 22.572 6.599 1.00 0.00 N ATOM 1114 CA SER B1587 3.972 23.523 5.522 1.00 0.00 C ATOM 1115 C SER B1587 2.473 23.779 5.376 1.00 0.00 C ATOM 1116 O SER B1587 2.038 24.505 4.476 1.00 0.00 O ATOM 1117 CB SER B1587 4.536 22.991 4.206 1.00 0.00 C ATOM 1118 OG SER B1587 5.853 22.491 4.377 1.00 0.00 O ATOM 0 H SER B1587 4.571 21.659 6.275 1.00 0.00 H new ATOM 0 HA SER B1587 4.452 24.469 5.774 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.891 22.200 3.824 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.540 23.787 3.461 1.00 0.00 H new ATOM 0 HG SER B1587 6.069 21.881 3.641 1.00 0.00 H new ATOM 1124 N SER B1588 1.705 23.173 6.280 1.00 0.00 N ATOM 1125 CA SER B1588 0.254 23.260 6.289 1.00 0.00 C ATOM 1126 C SER B1588 -0.334 22.456 5.141 1.00 0.00 C ATOM 1127 O SER B1588 0.281 22.282 4.087 1.00 0.00 O ATOM 1128 CB SER B1588 -0.218 24.713 6.236 1.00 0.00 C ATOM 1129 OG SER B1588 -1.626 24.799 6.377 1.00 0.00 O ATOM 0 H SER B1588 2.083 22.601 7.035 1.00 0.00 H new ATOM 0 HA SER B1588 -0.102 22.834 7.227 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.265 25.284 7.028 1.00 0.00 H new ATOM 0 HB3 SER B1588 0.084 25.162 5.290 1.00 0.00 H new ATOM 0 HG SER B1588 -1.902 25.739 6.341 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.519 21.939 5.370 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.175 21.079 4.411 1.00 0.00 C ATOM 1137 C ARG B1589 -3.079 21.903 3.517 1.00 0.00 C ATOM 1138 O ARG B1589 -4.008 22.548 3.985 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.945 20.000 5.167 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.758 19.051 4.308 1.00 0.00 C ATOM 1141 CD ARG B1589 -4.198 17.867 5.146 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.297 17.117 4.533 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.201 16.426 5.232 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.108 16.360 6.556 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -7.190 15.795 4.610 1.00 0.00 N ATOM 0 H ARG B1589 -2.054 22.102 6.223 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.443 20.591 3.768 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.235 19.415 5.752 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.616 20.486 5.875 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.628 19.566 3.901 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.164 18.710 3.460 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.349 17.200 5.299 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.508 18.219 6.130 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.376 17.123 3.516 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.346 16.837 7.038 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.798 15.832 7.090 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.262 15.837 3.593 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.878 15.269 5.149 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.795 21.877 2.226 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.504 22.715 1.265 1.00 0.00 C ATOM 1161 C LYS B1590 -4.980 22.319 1.162 1.00 0.00 C ATOM 1162 O LYS B1590 -5.789 23.037 0.575 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.836 22.638 -0.115 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.382 23.113 -0.146 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.405 22.007 0.244 1.00 0.00 C ATOM 1166 CE LYS B1590 1.040 22.421 -0.005 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.974 21.263 0.014 1.00 0.00 N ATOM 0 H LYS B1590 -2.075 21.283 1.814 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.454 23.743 1.623 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.875 21.607 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.415 23.236 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.140 23.473 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -1.263 23.957 0.534 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.537 21.759 1.297 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.629 21.105 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.110 22.924 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.344 23.142 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.713 21.401 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 2.414 21.187 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.449 20.390 -0.194 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.323 21.181 1.751 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.693 20.697 1.739 1.00 0.00 C ATOM 1183 C ALA B1591 -7.406 20.994 3.058 1.00 0.00 C ATOM 1184 O ALA B1591 -8.553 20.590 3.254 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.718 19.207 1.451 1.00 0.00 C ATOM 0 H ALA B1591 -4.667 20.575 2.244 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.227 21.224 0.948 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.750 18.855 1.444 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.263 19.017 0.479 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.159 18.678 2.223 1.00 0.00 H new