USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 484 hydrogens (42 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 NoAdj-H: A 9 DPR H : A 9 DPR N : A 8 VAL C :(H bumps) USER MOD NoAdj-H: A 17 DPR H : A 17 DPR N : A 16 THR C :(H bumps) USER MOD NoAdj-H: A 27 DPR H : A 27 DPR N : A 26 LEU C :(H bumps) USER MOD NoAdj-H: B 9 DPR H : B 9 DPR N : B 8 VAL C :(H bumps) USER MOD NoAdj-H: B 17 DPR H : B 17 DPR N : B 16 THR C :(H bumps) USER MOD NoAdj-H: B 27 DPR H : B 27 DPR N : B 26 LEU C :(H bumps) USER MOD Single : A 1 ARG N :NH3+ -130:sc= 0.0696 (180deg=-0.129) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.141 (180deg=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.592 USER MOD Single : A 15 ASN : amide:sc= -0.0845 K(o=-0.084,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00644 X(o=-0.0064,f=-0.013) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.0013) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.0061 X(o=-0.0061,f=-0.26) USER MOD Single : B 16 THR OG1 : rot 120:sc= -1.68 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -171:sc= -0.133 (180deg=-0.364) USER MOD Single : B 23 HIS : no HE2:sc= -0.161 X(o=-0.16,f=-0.064) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 20.081 21.852 -20.428 1.00 0.00 N ATOM 2 CA ARG A 1 19.150 20.769 -20.694 1.00 0.00 C ATOM 3 C ARG A 1 19.656 19.469 -20.065 1.00 0.00 C ATOM 4 O ARG A 1 20.802 19.393 -19.626 1.00 0.00 O ATOM 5 CB ARG A 1 18.961 20.560 -22.198 1.00 0.00 C ATOM 6 CG ARG A 1 18.085 21.663 -22.798 1.00 0.00 C ATOM 7 CD ARG A 1 18.936 22.698 -23.537 1.00 0.00 C ATOM 8 NE ARG A 1 18.064 23.611 -24.308 1.00 0.00 N ATOM 9 CZ ARG A 1 17.528 24.746 -23.809 1.00 0.00 C ATOM 10 NH1 ARG A 1 17.770 25.116 -22.533 1.00 0.00 N ATOM 11 NH2 ARG A 1 16.762 25.488 -24.587 1.00 0.00 N ATOM 0 H1 ARG A 1 19.563 22.670 -20.050 1.00 0.00 H new ATOM 0 H2 ARG A 1 20.788 21.539 -19.733 1.00 0.00 H new ATOM 0 H3 ARG A 1 20.560 22.123 -21.311 1.00 0.00 H new ATOM 0 HA ARG A 1 18.191 21.041 -20.254 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.932 20.552 -22.693 1.00 0.00 H new ATOM 0 HB3 ARG A 1 18.503 19.588 -22.379 1.00 0.00 H new ATOM 0 HG2 ARG A 1 17.362 21.224 -23.485 1.00 0.00 H new ATOM 0 HG3 ARG A 1 17.517 22.152 -22.007 1.00 0.00 H new ATOM 0 HD2 ARG A 1 19.532 23.267 -22.824 1.00 0.00 H new ATOM 0 HD3 ARG A 1 19.634 22.196 -24.207 1.00 0.00 H new ATOM 0 HE ARG A 1 17.855 23.368 -25.276 1.00 0.00 H new ATOM 0 HH11 ARG A 1 18.362 24.537 -21.938 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.361 25.975 -22.165 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.583 25.201 -25.549 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.349 26.348 -24.226 1.00 0.00 H new ATOM 21 N GLY A 2 18.776 18.478 -20.043 1.00 0.00 N ATOM 22 CA GLY A 2 19.119 17.185 -19.476 1.00 0.00 C ATOM 23 C GLY A 2 18.929 16.069 -20.504 1.00 0.00 C ATOM 24 O GLY A 2 17.831 15.530 -20.645 1.00 0.00 O ATOM 0 H GLY A 2 17.826 18.545 -20.409 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.154 17.197 -19.134 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.497 16.990 -18.603 1.00 0.00 H new ATOM 28 N GLU A 3 20.014 15.752 -21.194 1.00 0.00 N ATOM 29 CA GLU A 3 19.980 14.708 -22.205 1.00 0.00 C ATOM 30 C GLU A 3 20.971 13.597 -21.854 1.00 0.00 C ATOM 31 O GLU A 3 22.042 13.504 -22.451 1.00 0.00 O ATOM 32 CB GLU A 3 20.269 15.280 -23.594 1.00 0.00 C ATOM 33 CG GLU A 3 20.135 14.201 -24.671 1.00 0.00 C ATOM 34 CD GLU A 3 21.365 14.179 -25.580 1.00 0.00 C ATOM 35 OE1 GLU A 3 22.033 13.142 -25.696 1.00 0.00 O ATOM 36 OE2 GLU A 3 21.617 15.293 -26.182 1.00 0.00 O ATOM 0 H GLU A 3 20.923 16.199 -21.073 1.00 0.00 H new ATOM 0 HA GLU A 3 18.977 14.282 -22.225 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.579 16.097 -23.805 1.00 0.00 H new ATOM 0 HB3 GLU A 3 21.275 15.698 -23.617 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.009 13.226 -24.200 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.241 14.386 -25.267 1.00 0.00 H new ATOM 42 N CYS A 4 20.580 12.783 -20.885 1.00 0.00 N ATOM 43 CA CYS A 4 21.420 11.682 -20.446 1.00 0.00 C ATOM 44 C CYS A 4 20.575 10.406 -20.439 1.00 0.00 C ATOM 45 O CYS A 4 19.352 10.465 -20.564 1.00 0.00 O ATOM 46 CB CYS A 4 22.047 11.958 -19.079 1.00 0.00 C ATOM 47 SG CYS A 4 23.845 12.246 -19.263 1.00 0.00 S ATOM 0 H CYS A 4 19.691 12.864 -20.391 1.00 0.00 H new ATOM 0 HA CYS A 4 22.254 11.561 -21.137 1.00 0.00 H new ATOM 0 HB2 CYS A 4 21.576 12.828 -18.622 1.00 0.00 H new ATOM 0 HB3 CYS A 4 21.872 11.114 -18.412 1.00 0.00 H new ATOM 0 HG CYS A 4 24.368 12.482 -18.097 1.00 0.00 H new ATOM 52 N LYS A 5 21.259 9.281 -20.289 1.00 0.00 N ATOM 53 CA LYS A 5 20.587 7.994 -20.263 1.00 0.00 C ATOM 54 C LYS A 5 20.643 7.424 -18.845 1.00 0.00 C ATOM 55 O LYS A 5 21.720 7.287 -18.268 1.00 0.00 O ATOM 56 CB LYS A 5 21.174 7.061 -21.325 1.00 0.00 C ATOM 57 CG LYS A 5 22.582 6.604 -20.935 1.00 0.00 C ATOM 58 CD LYS A 5 23.531 6.669 -22.133 1.00 0.00 C ATOM 59 CE LYS A 5 23.984 8.107 -22.398 1.00 0.00 C ATOM 60 NZ LYS A 5 23.217 8.695 -23.518 1.00 0.00 N ATOM 0 H LYS A 5 22.273 9.235 -20.184 1.00 0.00 H new ATOM 0 HA LYS A 5 19.534 8.108 -20.520 1.00 0.00 H new ATOM 0 HB2 LYS A 5 20.527 6.193 -21.449 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.207 7.574 -22.286 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.963 7.233 -20.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.544 5.584 -20.551 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.401 6.039 -21.947 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.033 6.272 -23.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.846 8.709 -21.500 1.00 0.00 H new ATOM 0 HE3 LYS A 5 25.049 8.122 -22.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.828 9.343 -24.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.882 7.936 -24.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.401 9.219 -23.143 1.00 0.00 H new ATOM 69 N PHE A 6 19.466 7.105 -18.323 1.00 0.00 N ATOM 70 CA PHE A 6 19.367 6.551 -16.983 1.00 0.00 C ATOM 71 C PHE A 6 18.856 5.111 -17.021 1.00 0.00 C ATOM 72 O PHE A 6 17.706 4.864 -17.382 1.00 0.00 O ATOM 73 CB PHE A 6 18.364 7.417 -16.216 1.00 0.00 C ATOM 74 CG PHE A 6 18.757 8.892 -16.125 1.00 0.00 C ATOM 75 CD1 PHE A 6 19.568 9.319 -15.121 1.00 0.00 C ATOM 76 CD2 PHE A 6 18.293 9.777 -17.048 1.00 0.00 C ATOM 77 CE1 PHE A 6 19.932 10.690 -15.036 1.00 0.00 C ATOM 78 CE2 PHE A 6 18.658 11.147 -16.964 1.00 0.00 C ATOM 79 CZ PHE A 6 19.470 11.574 -15.958 1.00 0.00 C ATOM 0 H PHE A 6 18.574 7.220 -18.804 1.00 0.00 H new ATOM 0 HA PHE A 6 20.348 6.546 -16.508 1.00 0.00 H new ATOM 0 HB2 PHE A 6 17.390 7.340 -16.699 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.252 7.019 -15.208 1.00 0.00 H new ATOM 0 HD1 PHE A 6 19.936 8.616 -14.388 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.647 9.438 -17.844 1.00 0.00 H new ATOM 0 HE1 PHE A 6 20.576 11.029 -14.238 1.00 0.00 H new ATOM 0 HE2 PHE A 6 18.292 11.850 -17.698 1.00 0.00 H new ATOM 0 HZ PHE A 6 19.747 12.616 -15.893 1.00 0.00 H new ATOM 88 N THR A 7 19.735 4.194 -16.644 1.00 0.00 N ATOM 89 CA THR A 7 19.387 2.784 -16.629 1.00 0.00 C ATOM 90 C THR A 7 19.483 2.224 -15.208 1.00 0.00 C ATOM 91 O THR A 7 20.327 1.376 -14.927 1.00 0.00 O ATOM 92 CB THR A 7 20.296 2.064 -17.628 1.00 0.00 C ATOM 93 OG1 THR A 7 19.809 2.477 -18.902 1.00 0.00 O ATOM 94 CG2 THR A 7 20.084 0.547 -17.623 1.00 0.00 C ATOM 0 H THR A 7 20.688 4.401 -16.346 1.00 0.00 H new ATOM 0 HA THR A 7 18.353 2.629 -16.935 1.00 0.00 H new ATOM 0 HB THR A 7 21.338 2.287 -17.397 1.00 0.00 H new ATOM 0 HG1 THR A 7 20.344 2.058 -19.608 1.00 0.00 H new ATOM 0 HG21 THR A 7 20.752 0.084 -18.349 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.298 0.153 -16.629 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.050 0.323 -17.887 1.00 0.00 H new ATOM 102 N VAL A 8 18.604 2.723 -14.351 1.00 0.00 N ATOM 103 CA VAL A 8 18.579 2.285 -12.965 1.00 0.00 C ATOM 104 C VAL A 8 17.199 1.708 -12.643 1.00 0.00 C ATOM 105 O VAL A 8 16.214 2.040 -13.302 1.00 0.00 O ATOM 106 CB VAL A 8 18.976 3.439 -12.044 1.00 0.00 C ATOM 107 CG1 VAL A 8 20.432 3.848 -12.271 1.00 0.00 C ATOM 108 CG2 VAL A 8 18.035 4.633 -12.226 1.00 0.00 C ATOM 0 H VAL A 8 17.904 3.426 -14.589 1.00 0.00 H new ATOM 0 HA VAL A 8 19.309 1.492 -12.801 1.00 0.00 H new ATOM 0 HB VAL A 8 18.884 3.093 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 8 20.687 4.671 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.084 2.999 -12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.563 4.166 -13.305 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.339 5.440 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.081 4.978 -13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.015 4.332 -11.989 1.00 0.00 H new HETATM 118 N DPR A 9 17.169 0.831 -11.604 1.00 0.00 N HETATM 119 CA DPR A 9 15.927 0.205 -11.186 1.00 0.00 C HETATM 120 CB DPR A 9 16.203 -0.322 -9.788 1.00 0.00 C HETATM 121 CG DPR A 9 17.716 -0.385 -9.657 1.00 0.00 C HETATM 122 CD DPR A 9 18.316 0.415 -10.802 1.00 0.00 C HETATM 123 C DPR A 9 15.507 -0.891 -12.167 1.00 0.00 C HETATM 124 O DPR A 9 14.524 -1.591 -11.938 1.00 0.00 O HETATM 0 HG3 DPR A 9 18.034 0.024 -8.698 1.00 0.00 H new HETATM 0 HG2 DPR A 9 18.060 -1.419 -9.692 1.00 0.00 H new HETATM 0 HD3 DPR A 9 19.010 -0.189 -11.387 1.00 0.00 H new HETATM 0 HD2 DPR A 9 18.875 1.275 -10.434 1.00 0.00 H new HETATM 0 HB3 DPR A 9 15.773 0.334 -9.031 1.00 0.00 H new HETATM 0 HB2 DPR A 9 15.757 -1.307 -9.647 1.00 0.00 H new HETATM 0 HA DPR A 9 15.088 0.901 -11.176 1.00 0.00 H new ATOM 132 N GLY A 10 16.277 -1.006 -13.241 1.00 0.00 N ATOM 133 CA GLY A 10 15.998 -2.005 -14.258 1.00 0.00 C ATOM 134 C GLY A 10 15.187 -1.404 -15.408 1.00 0.00 C ATOM 135 O GLY A 10 14.748 -2.125 -16.303 1.00 0.00 O ATOM 0 H GLY A 10 17.093 -0.424 -13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.934 -2.410 -14.641 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.448 -2.836 -13.816 1.00 0.00 H new ATOM 139 N ARG A 11 15.014 -0.093 -15.346 1.00 0.00 N ATOM 140 CA ARG A 11 14.263 0.612 -16.371 1.00 0.00 C ATOM 141 C ARG A 11 15.207 1.443 -17.242 1.00 0.00 C ATOM 142 O ARG A 11 16.143 2.062 -16.736 1.00 0.00 O ATOM 143 CB ARG A 11 13.211 1.532 -15.749 1.00 0.00 C ATOM 144 CG ARG A 11 13.869 2.626 -14.906 1.00 0.00 C ATOM 145 CD ARG A 11 13.548 2.440 -13.421 1.00 0.00 C ATOM 146 NE ARG A 11 14.076 3.583 -12.644 1.00 0.00 N ATOM 147 CZ ARG A 11 13.660 3.909 -11.400 1.00 0.00 C ATOM 148 NH1 ARG A 11 12.707 3.179 -10.785 1.00 0.00 N ATOM 149 NH2 ARG A 11 14.201 4.952 -10.798 1.00 0.00 N ATOM 0 H ARG A 11 15.381 0.500 -14.602 1.00 0.00 H new ATOM 0 HA ARG A 11 13.758 -0.134 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.609 1.987 -16.536 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.533 0.947 -15.127 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.949 2.605 -15.054 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.521 3.604 -15.237 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.470 2.361 -13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.986 1.510 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 11 14.799 4.161 -13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.295 2.375 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.398 3.431 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.921 5.498 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.899 5.212 -9.859 1.00 0.00 H new ATOM 159 N THR A 12 14.929 1.432 -18.538 1.00 0.00 N ATOM 160 CA THR A 12 15.742 2.176 -19.485 1.00 0.00 C ATOM 161 C THR A 12 14.982 3.406 -19.987 1.00 0.00 C ATOM 162 O THR A 12 14.017 3.279 -20.740 1.00 0.00 O ATOM 163 CB THR A 12 16.161 1.222 -20.603 1.00 0.00 C ATOM 164 OG1 THR A 12 14.928 0.746 -21.134 1.00 0.00 O ATOM 165 CG2 THR A 12 16.847 -0.038 -20.071 1.00 0.00 C ATOM 0 H THR A 12 14.152 0.919 -18.954 1.00 0.00 H new ATOM 0 HA THR A 12 16.646 2.561 -19.013 1.00 0.00 H new ATOM 0 HB THR A 12 16.832 1.740 -21.289 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.279 1.479 -21.161 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.124 -0.681 -20.906 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.742 0.242 -19.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.164 -0.573 -19.412 1.00 0.00 H new ATOM 173 N ALA A 13 15.446 4.569 -19.552 1.00 0.00 N ATOM 174 CA ALA A 13 14.822 5.819 -19.949 1.00 0.00 C ATOM 175 C ALA A 13 15.863 6.708 -20.633 1.00 0.00 C ATOM 176 O ALA A 13 16.953 6.914 -20.101 1.00 0.00 O ATOM 177 CB ALA A 13 14.197 6.489 -18.724 1.00 0.00 C ATOM 0 H ALA A 13 16.247 4.671 -18.929 1.00 0.00 H new ATOM 0 HA ALA A 13 14.021 5.638 -20.666 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.729 7.427 -19.022 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.445 5.829 -18.292 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.972 6.689 -17.984 1.00 0.00 H new ATOM 183 N LEU A 14 15.490 7.211 -21.800 1.00 0.00 N ATOM 184 CA LEU A 14 16.376 8.073 -22.562 1.00 0.00 C ATOM 185 C LEU A 14 15.662 9.391 -22.867 1.00 0.00 C ATOM 186 O LEU A 14 14.433 9.455 -22.842 1.00 0.00 O ATOM 187 CB LEU A 14 16.890 7.349 -23.807 1.00 0.00 C ATOM 188 CG LEU A 14 15.838 7.003 -24.864 1.00 0.00 C ATOM 189 CD1 LEU A 14 16.273 7.487 -26.248 1.00 0.00 C ATOM 190 CD2 LEU A 14 15.519 5.508 -24.853 1.00 0.00 C ATOM 0 H LEU A 14 14.585 7.038 -22.237 1.00 0.00 H new ATOM 0 HA LEU A 14 17.262 8.319 -21.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.655 7.969 -24.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.377 6.426 -23.491 1.00 0.00 H new ATOM 0 HG LEU A 14 14.917 7.529 -24.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.508 7.229 -26.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.407 8.569 -26.230 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.214 7.009 -26.522 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.769 5.290 -25.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.426 4.941 -25.065 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.135 5.225 -23.873 1.00 0.00 H new ATOM 201 N ASN A 15 16.461 10.410 -23.150 1.00 0.00 N ATOM 202 CA ASN A 15 15.919 11.722 -23.460 1.00 0.00 C ATOM 203 C ASN A 15 16.275 12.086 -24.903 1.00 0.00 C ATOM 204 O ASN A 15 17.437 12.340 -25.214 1.00 0.00 O ATOM 205 CB ASN A 15 16.512 12.793 -22.542 1.00 0.00 C ATOM 206 CG ASN A 15 15.887 12.726 -21.147 1.00 0.00 C ATOM 207 OD1 ASN A 15 15.790 11.676 -20.532 1.00 0.00 O ATOM 208 ND2 ASN A 15 15.471 13.901 -20.683 1.00 0.00 N ATOM 0 H ASN A 15 17.479 10.353 -23.171 1.00 0.00 H new ATOM 0 HA ASN A 15 14.839 11.684 -23.319 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.591 12.657 -22.468 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.344 13.780 -22.973 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.040 13.961 -19.760 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.583 14.742 -21.250 1.00 0.00 H new ATOM 214 N THR A 16 15.252 12.101 -25.745 1.00 0.00 N ATOM 215 CA THR A 16 15.440 12.431 -27.147 1.00 0.00 C ATOM 216 C THR A 16 14.791 13.778 -27.471 1.00 0.00 C ATOM 217 O THR A 16 13.568 13.881 -27.541 1.00 0.00 O ATOM 218 CB THR A 16 14.889 11.274 -27.983 1.00 0.00 C ATOM 219 OG1 THR A 16 15.968 10.344 -28.043 1.00 0.00 O ATOM 220 CG2 THR A 16 14.656 11.667 -29.444 1.00 0.00 C ATOM 0 H THR A 16 14.289 11.890 -25.482 1.00 0.00 H new ATOM 0 HA THR A 16 16.497 12.550 -27.386 1.00 0.00 H new ATOM 0 HB THR A 16 13.953 10.924 -27.546 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.696 9.561 -28.566 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.265 10.811 -29.993 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.939 12.486 -29.490 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.598 11.984 -29.890 1.00 0.00 H new HETATM 228 N DPR A 17 15.663 14.804 -27.665 1.00 0.00 N HETATM 229 CA DPR A 17 15.187 16.140 -27.980 1.00 0.00 C HETATM 230 CB DPR A 17 16.397 16.866 -28.546 1.00 0.00 C HETATM 231 CG DPR A 17 17.610 16.065 -28.098 1.00 0.00 C HETATM 232 CD DPR A 17 17.118 14.719 -27.592 1.00 0.00 C HETATM 233 C DPR A 17 14.608 16.822 -26.740 1.00 0.00 C HETATM 234 O DPR A 17 15.347 17.391 -25.938 1.00 0.00 O HETATM 0 HG3 DPR A 17 18.306 15.930 -28.926 1.00 0.00 H new HETATM 0 HG2 DPR A 17 18.148 16.595 -27.312 1.00 0.00 H new HETATM 0 HD3 DPR A 17 17.453 14.533 -26.571 1.00 0.00 H new HETATM 0 HD2 DPR A 17 17.498 13.902 -28.206 1.00 0.00 H new HETATM 0 HB3 DPR A 17 16.346 16.922 -29.633 1.00 0.00 H new HETATM 0 HB2 DPR A 17 16.447 17.890 -28.176 1.00 0.00 H new HETATM 0 HA DPR A 17 14.369 16.136 -28.700 1.00 0.00 H new ATOM 242 N ALA A 18 13.291 16.742 -26.620 1.00 0.00 N ATOM 243 CA ALA A 18 12.603 17.345 -25.492 1.00 0.00 C ATOM 244 C ALA A 18 11.491 16.407 -25.017 1.00 0.00 C ATOM 245 O ALA A 18 10.570 16.834 -24.322 1.00 0.00 O ATOM 246 CB ALA A 18 12.073 18.724 -25.892 1.00 0.00 C ATOM 0 H ALA A 18 12.682 16.268 -27.287 1.00 0.00 H new ATOM 0 HA ALA A 18 13.290 17.491 -24.658 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.557 19.175 -25.045 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.905 19.361 -26.191 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.379 18.619 -26.726 1.00 0.00 H new ATOM 252 N VAL A 19 11.613 15.149 -25.413 1.00 0.00 N ATOM 253 CA VAL A 19 10.630 14.147 -25.037 1.00 0.00 C ATOM 254 C VAL A 19 11.248 13.185 -24.022 1.00 0.00 C ATOM 255 O VAL A 19 12.459 12.967 -24.027 1.00 0.00 O ATOM 256 CB VAL A 19 10.100 13.440 -26.286 1.00 0.00 C ATOM 257 CG1 VAL A 19 11.112 12.418 -26.809 1.00 0.00 C ATOM 258 CG2 VAL A 19 8.749 12.779 -26.012 1.00 0.00 C ATOM 0 H VAL A 19 12.378 14.800 -25.991 1.00 0.00 H new ATOM 0 HA VAL A 19 9.772 14.617 -24.556 1.00 0.00 H new ATOM 0 HB VAL A 19 9.953 14.194 -27.059 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.710 11.930 -27.697 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.043 12.925 -27.063 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.305 11.670 -26.040 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.396 12.284 -26.917 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.859 12.043 -25.215 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.028 13.538 -25.708 1.00 0.00 H new ATOM 268 N GLN A 20 10.391 12.636 -23.176 1.00 0.00 N ATOM 269 CA GLN A 20 10.840 11.702 -22.157 1.00 0.00 C ATOM 270 C GLN A 20 10.333 10.292 -22.469 1.00 0.00 C ATOM 271 O GLN A 20 9.132 10.082 -22.637 1.00 0.00 O ATOM 272 CB GLN A 20 10.389 12.151 -20.765 1.00 0.00 C ATOM 273 CG GLN A 20 11.473 12.985 -20.080 1.00 0.00 C ATOM 274 CD GLN A 20 11.243 13.048 -18.569 1.00 0.00 C ATOM 275 OE1 GLN A 20 10.142 13.260 -18.092 1.00 0.00 O ATOM 276 NE2 GLN A 20 12.342 12.854 -17.846 1.00 0.00 N ATOM 0 H GLN A 20 9.388 12.819 -23.174 1.00 0.00 H new ATOM 0 HA GLN A 20 11.930 11.685 -22.162 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.473 12.736 -20.847 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.157 11.278 -20.155 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.453 12.553 -20.285 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.476 13.994 -20.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.234 12.681 -18.310 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.293 12.878 -16.827 1.00 0.00 H new ATOM 283 N LYS A 21 11.274 9.361 -22.537 1.00 0.00 N ATOM 284 CA LYS A 21 10.938 7.978 -22.827 1.00 0.00 C ATOM 285 C LYS A 21 11.400 7.093 -21.667 1.00 0.00 C ATOM 286 O LYS A 21 12.599 6.963 -21.422 1.00 0.00 O ATOM 287 CB LYS A 21 11.505 7.560 -24.184 1.00 0.00 C ATOM 288 CG LYS A 21 10.440 7.659 -25.278 1.00 0.00 C ATOM 289 CD LYS A 21 11.035 8.207 -26.577 1.00 0.00 C ATOM 290 CE LYS A 21 11.076 7.128 -27.660 1.00 0.00 C ATOM 291 NZ LYS A 21 12.426 6.529 -27.745 1.00 0.00 N ATOM 0 H LYS A 21 12.269 9.538 -22.396 1.00 0.00 H new ATOM 0 HA LYS A 21 9.858 7.858 -22.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.353 8.195 -24.439 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.878 6.538 -24.127 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.007 6.675 -25.459 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.630 8.307 -24.944 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.442 9.053 -26.924 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.043 8.579 -26.391 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.342 6.354 -27.438 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.802 7.560 -28.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.436 5.799 -28.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.120 7.268 -27.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.673 6.099 -26.831 1.00 0.00 H new ATOM 300 N TRP A 22 10.427 6.505 -20.988 1.00 0.00 N ATOM 301 CA TRP A 22 10.719 5.635 -19.861 1.00 0.00 C ATOM 302 C TRP A 22 10.139 4.254 -20.168 1.00 0.00 C ATOM 303 O TRP A 22 8.932 4.114 -20.367 1.00 0.00 O ATOM 304 CB TRP A 22 10.189 6.231 -18.556 1.00 0.00 C ATOM 305 CG TRP A 22 11.193 7.130 -17.830 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.614 8.351 -18.184 1.00 0.00 C ATOM 307 CD2 TRP A 22 11.887 6.826 -16.602 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.526 8.855 -17.280 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.697 7.897 -16.285 1.00 0.00 C ATOM 310 CE3 TRP A 22 11.832 5.684 -15.784 1.00 0.00 C ATOM 311 CZ2 TRP A 22 13.513 7.934 -15.150 1.00 0.00 C ATOM 312 CZ3 TRP A 22 12.654 5.734 -14.652 1.00 0.00 C ATOM 313 CH2 TRP A 22 13.476 6.805 -14.320 1.00 0.00 C ATOM 0 H TRP A 22 9.434 6.614 -21.196 1.00 0.00 H new ATOM 0 HA TRP A 22 11.795 5.536 -19.718 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.289 6.808 -18.771 1.00 0.00 H new ATOM 0 HB3 TRP A 22 9.896 5.419 -17.890 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.281 8.876 -19.067 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.989 9.762 -17.331 1.00 0.00 H new ATOM 0 HE3 TRP A 22 11.205 4.835 -16.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.138 8.786 -14.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 12.649 4.881 -13.990 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.083 6.767 -13.427 1.00 0.00 H new ATOM 323 N HIS A 23 11.022 3.267 -20.193 1.00 0.00 N ATOM 324 CA HIS A 23 10.612 1.902 -20.470 1.00 0.00 C ATOM 325 C HIS A 23 10.902 1.021 -19.254 1.00 0.00 C ATOM 326 O HIS A 23 12.017 1.019 -18.736 1.00 0.00 O ATOM 327 CB HIS A 23 11.276 1.384 -21.749 1.00 0.00 C ATOM 328 CG HIS A 23 11.133 2.309 -22.933 1.00 0.00 C ATOM 329 ND1 HIS A 23 12.057 2.359 -23.962 1.00 0.00 N ATOM 330 CD2 HIS A 23 10.165 3.219 -23.242 1.00 0.00 C ATOM 331 CE1 HIS A 23 11.654 3.261 -24.843 1.00 0.00 C ATOM 332 NE2 HIS A 23 10.481 3.794 -24.395 1.00 0.00 N ATOM 0 H HIS A 23 12.021 3.386 -20.026 1.00 0.00 H new ATOM 0 HA HIS A 23 9.537 1.871 -20.649 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.336 1.220 -21.555 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.845 0.416 -22.003 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.289 3.435 -22.648 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.164 3.528 -25.756 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.937 4.515 -24.868 1.00 0.00 H new ATOM 339 N PHE A 24 9.878 0.294 -18.832 1.00 0.00 N ATOM 340 CA PHE A 24 10.007 -0.589 -17.685 1.00 0.00 C ATOM 341 C PHE A 24 9.833 -2.052 -18.098 1.00 0.00 C ATOM 342 O PHE A 24 8.709 -2.538 -18.212 1.00 0.00 O ATOM 343 CB PHE A 24 8.898 -0.212 -16.702 1.00 0.00 C ATOM 344 CG PHE A 24 9.241 0.975 -15.801 1.00 0.00 C ATOM 345 CD1 PHE A 24 9.852 0.767 -14.604 1.00 0.00 C ATOM 346 CD2 PHE A 24 8.936 2.240 -16.197 1.00 0.00 C ATOM 347 CE1 PHE A 24 10.171 1.870 -13.769 1.00 0.00 C ATOM 348 CE2 PHE A 24 9.255 3.342 -15.361 1.00 0.00 C ATOM 349 CZ PHE A 24 9.865 3.134 -14.164 1.00 0.00 C ATOM 0 H PHE A 24 8.954 0.298 -19.264 1.00 0.00 H new ATOM 0 HA PHE A 24 10.996 -0.480 -17.241 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.993 0.021 -17.263 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.672 -1.076 -16.077 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.095 -0.237 -14.289 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.451 2.406 -17.148 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.657 1.705 -12.819 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.013 4.346 -15.676 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.106 3.972 -13.527 1.00 0.00 H new ATOM 358 N VAL A 25 10.962 -2.713 -18.309 1.00 0.00 N ATOM 359 CA VAL A 25 10.949 -4.111 -18.707 1.00 0.00 C ATOM 360 C VAL A 25 11.598 -4.955 -17.608 1.00 0.00 C ATOM 361 O VAL A 25 12.822 -5.015 -17.509 1.00 0.00 O ATOM 362 CB VAL A 25 11.627 -4.275 -20.067 1.00 0.00 C ATOM 363 CG1 VAL A 25 11.694 -5.749 -20.471 1.00 0.00 C ATOM 364 CG2 VAL A 25 10.917 -3.445 -21.138 1.00 0.00 C ATOM 0 H VAL A 25 11.892 -2.306 -18.212 1.00 0.00 H new ATOM 0 HA VAL A 25 9.925 -4.465 -18.826 1.00 0.00 H new ATOM 0 HB VAL A 25 12.648 -3.904 -19.979 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.181 -5.838 -21.442 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.264 -6.305 -19.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.685 -6.156 -20.532 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.420 -3.580 -22.096 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.880 -3.771 -21.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.944 -2.392 -20.859 1.00 0.00 H new ATOM 374 N LEU A 26 10.749 -5.586 -16.810 1.00 0.00 N ATOM 375 CA LEU A 26 11.225 -6.424 -15.724 1.00 0.00 C ATOM 376 C LEU A 26 10.409 -7.717 -15.686 1.00 0.00 C ATOM 377 O LEU A 26 9.326 -7.756 -15.105 1.00 0.00 O ATOM 378 CB LEU A 26 11.209 -5.650 -14.403 1.00 0.00 C ATOM 379 CG LEU A 26 9.882 -4.986 -14.031 1.00 0.00 C ATOM 380 CD1 LEU A 26 9.595 -5.132 -12.535 1.00 0.00 C ATOM 381 CD2 LEU A 26 9.855 -3.522 -14.478 1.00 0.00 C ATOM 0 H LEU A 26 9.734 -5.533 -16.894 1.00 0.00 H new ATOM 0 HA LEU A 26 12.264 -6.707 -15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.488 -6.333 -13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.978 -4.879 -14.447 1.00 0.00 H new ATOM 0 HG LEU A 26 9.083 -5.501 -14.565 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.646 -4.651 -12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.541 -6.189 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.394 -4.659 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.900 -3.075 -14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.665 -2.978 -13.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.980 -3.469 -15.560 1.00 0.00 H new HETATM 392 N DPR A 27 10.975 -8.772 -16.331 1.00 0.00 N HETATM 393 CA DPR A 27 10.312 -10.064 -16.379 1.00 0.00 C HETATM 394 CB DPR A 27 11.400 -11.051 -16.768 1.00 0.00 C HETATM 395 CG DPR A 27 12.519 -10.220 -17.375 1.00 0.00 C HETATM 396 CD DPR A 27 12.257 -8.763 -17.031 1.00 0.00 C HETATM 397 C DPR A 27 9.142 -10.045 -17.365 1.00 0.00 C HETATM 398 O DPR A 27 9.339 -9.854 -18.563 1.00 0.00 O HETATM 0 HG3 DPR A 27 13.485 -10.537 -16.983 1.00 0.00 H new HETATM 0 HG2 DPR A 27 12.553 -10.357 -18.456 1.00 0.00 H new HETATM 0 HD3 DPR A 27 12.214 -8.146 -17.928 1.00 0.00 H new HETATM 0 HD2 DPR A 27 13.049 -8.356 -16.402 1.00 0.00 H new HETATM 0 HB3 DPR A 27 11.753 -11.606 -15.899 1.00 0.00 H new HETATM 0 HB2 DPR A 27 11.025 -11.783 -17.483 1.00 0.00 H new HETATM 0 HA DPR A 27 9.864 -10.341 -15.425 1.00 0.00 H new ATOM 406 N GLY A 28 7.950 -10.245 -16.823 1.00 0.00 N ATOM 407 CA GLY A 28 6.748 -10.253 -17.640 1.00 0.00 C ATOM 408 C GLY A 28 6.017 -8.912 -17.552 1.00 0.00 C ATOM 409 O GLY A 28 4.961 -8.736 -18.158 1.00 0.00 O ATOM 0 H GLY A 28 7.790 -10.403 -15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.010 -10.461 -18.677 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.086 -11.054 -17.312 1.00 0.00 H new ATOM 413 N TYR A 29 6.608 -7.999 -16.795 1.00 0.00 N ATOM 414 CA TYR A 29 6.026 -6.680 -16.620 1.00 0.00 C ATOM 415 C TYR A 29 6.550 -5.706 -17.677 1.00 0.00 C ATOM 416 O TYR A 29 7.733 -5.372 -17.687 1.00 0.00 O ATOM 417 CB TYR A 29 6.473 -6.201 -15.238 1.00 0.00 C ATOM 418 CG TYR A 29 5.586 -6.692 -14.092 1.00 0.00 C ATOM 419 CD1 TYR A 29 5.258 -8.029 -13.998 1.00 0.00 C ATOM 420 CD2 TYR A 29 5.116 -5.798 -13.151 1.00 0.00 C ATOM 421 CE1 TYR A 29 4.423 -8.491 -12.920 1.00 0.00 C ATOM 422 CE2 TYR A 29 4.281 -6.260 -12.073 1.00 0.00 C ATOM 423 CZ TYR A 29 3.975 -7.584 -12.011 1.00 0.00 C ATOM 424 OH TYR A 29 3.187 -8.021 -10.991 1.00 0.00 O ATOM 0 H TYR A 29 7.485 -8.147 -16.296 1.00 0.00 H new ATOM 0 HA TYR A 29 4.941 -6.724 -16.717 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.495 -6.536 -15.062 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.489 -5.111 -15.230 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.628 -8.729 -14.733 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.375 -4.752 -13.223 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.158 -9.535 -12.835 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.906 -5.571 -11.330 1.00 0.00 H new ATOM 0 HH TYR A 29 2.943 -7.264 -10.419 1.00 0.00 H new ATOM 433 N LYS A 30 5.643 -5.278 -18.542 1.00 0.00 N ATOM 434 CA LYS A 30 5.997 -4.350 -19.602 1.00 0.00 C ATOM 435 C LYS A 30 5.140 -3.087 -19.477 1.00 0.00 C ATOM 436 O LYS A 30 4.000 -3.059 -19.936 1.00 0.00 O ATOM 437 CB LYS A 30 5.893 -5.029 -20.969 1.00 0.00 C ATOM 438 CG LYS A 30 7.138 -5.873 -21.257 1.00 0.00 C ATOM 439 CD LYS A 30 6.765 -7.172 -21.974 1.00 0.00 C ATOM 440 CE LYS A 30 8.011 -8.004 -22.283 1.00 0.00 C ATOM 441 NZ LYS A 30 7.631 -9.369 -22.710 1.00 0.00 N ATOM 0 H LYS A 30 4.662 -5.557 -18.530 1.00 0.00 H new ATOM 0 HA LYS A 30 7.038 -4.042 -19.504 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.006 -5.661 -20.999 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.773 -4.274 -21.746 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.835 -5.302 -21.870 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.650 -6.103 -20.323 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.081 -7.751 -21.353 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.238 -6.942 -22.900 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.593 -7.520 -23.067 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.648 -8.057 -21.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.489 -9.920 -22.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.095 -9.834 -21.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.042 -9.314 -23.565 1.00 0.00 H new ATOM 450 N CYS A 31 5.724 -2.074 -18.851 1.00 0.00 N ATOM 451 CA CYS A 31 5.027 -0.813 -18.661 1.00 0.00 C ATOM 452 C CYS A 31 5.823 0.286 -19.366 1.00 0.00 C ATOM 453 O CYS A 31 6.733 0.872 -18.781 1.00 0.00 O ATOM 454 CB CYS A 31 4.816 -0.503 -17.177 1.00 0.00 C ATOM 455 SG CYS A 31 4.204 -1.909 -16.178 1.00 0.00 S ATOM 0 H CYS A 31 6.670 -2.101 -18.470 1.00 0.00 H new ATOM 0 HA CYS A 31 4.030 -0.875 -19.098 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.760 -0.159 -16.754 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.109 0.322 -17.090 1.00 0.00 H new ATOM 459 N GLU A 32 5.453 0.534 -20.614 1.00 0.00 N ATOM 460 CA GLU A 32 6.121 1.552 -21.405 1.00 0.00 C ATOM 461 C GLU A 32 5.248 2.805 -21.504 1.00 0.00 C ATOM 462 O GLU A 32 4.056 2.714 -21.796 1.00 0.00 O ATOM 463 CB GLU A 32 6.477 1.021 -22.795 1.00 0.00 C ATOM 464 CG GLU A 32 7.094 -0.376 -22.707 1.00 0.00 C ATOM 465 CD GLU A 32 6.735 -1.213 -23.936 1.00 0.00 C ATOM 466 OE1 GLU A 32 6.114 -2.278 -23.801 1.00 0.00 O ATOM 467 OE2 GLU A 32 7.124 -0.721 -25.064 1.00 0.00 O ATOM 0 H GLU A 32 4.698 0.046 -21.097 1.00 0.00 H new ATOM 0 HA GLU A 32 7.052 1.820 -20.905 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.582 0.989 -23.416 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.177 1.702 -23.280 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.178 -0.294 -22.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.741 -0.877 -21.806 1.00 0.00 H new ATOM 473 N ILE A 33 5.874 3.945 -21.254 1.00 0.00 N ATOM 474 CA ILE A 33 5.169 5.215 -21.312 1.00 0.00 C ATOM 475 C ILE A 33 5.844 6.122 -22.343 1.00 0.00 C ATOM 476 O ILE A 33 7.069 6.132 -22.460 1.00 0.00 O ATOM 477 CB ILE A 33 5.070 5.836 -19.917 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.427 6.375 -19.460 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.479 4.842 -18.916 1.00 0.00 C ATOM 480 CD1 ILE A 33 6.253 7.570 -18.521 1.00 0.00 C ATOM 0 H ILE A 33 6.862 4.016 -21.011 1.00 0.00 H new ATOM 0 HA ILE A 33 4.141 5.066 -21.643 1.00 0.00 H new ATOM 0 HB ILE A 33 4.388 6.685 -19.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.983 5.587 -18.953 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.015 6.672 -20.328 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.419 5.308 -17.932 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.480 4.550 -19.240 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.116 3.959 -18.861 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.232 7.934 -18.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.718 8.365 -19.040 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.685 7.263 -17.643 1.00 0.00 H new ATOM 491 N LEU A 34 5.016 6.863 -23.065 1.00 0.00 N ATOM 492 CA LEU A 34 5.517 7.771 -24.081 1.00 0.00 C ATOM 493 C LEU A 34 5.098 9.202 -23.733 1.00 0.00 C ATOM 494 O LEU A 34 3.968 9.604 -24.004 1.00 0.00 O ATOM 495 CB LEU A 34 5.066 7.320 -25.473 1.00 0.00 C ATOM 496 CG LEU A 34 5.965 7.740 -26.638 1.00 0.00 C ATOM 497 CD1 LEU A 34 5.988 9.262 -26.791 1.00 0.00 C ATOM 498 CD2 LEU A 34 7.372 7.158 -26.483 1.00 0.00 C ATOM 0 H LEU A 34 4.001 6.852 -22.966 1.00 0.00 H new ATOM 0 HA LEU A 34 6.607 7.754 -24.102 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.988 6.233 -25.474 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.065 7.711 -25.653 1.00 0.00 H new ATOM 0 HG LEU A 34 5.547 7.330 -27.557 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.634 9.534 -27.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.978 9.624 -26.981 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.369 9.714 -25.875 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.990 7.472 -27.324 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.814 7.517 -25.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.315 6.070 -26.461 1.00 0.00 H new ATOM 509 N ALA A 35 6.031 9.930 -23.138 1.00 0.00 N ATOM 510 CA ALA A 35 5.773 11.305 -22.750 1.00 0.00 C ATOM 511 C ALA A 35 6.719 12.233 -23.516 1.00 0.00 C ATOM 512 O ALA A 35 7.578 12.879 -22.919 1.00 0.00 O ATOM 513 CB ALA A 35 5.920 11.444 -21.234 1.00 0.00 C ATOM 0 H ALA A 35 6.967 9.593 -22.915 1.00 0.00 H new ATOM 0 HA ALA A 35 4.753 11.591 -23.006 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.726 12.476 -20.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.206 10.787 -20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.933 11.168 -20.940 1.00 0.00 H new TER 519 ALA A 35 ATOM 520 N ARG B 1 -16.848 -18.328 -21.746 1.00 0.00 N ATOM 521 CA ARG B 1 -17.855 -17.775 -22.635 1.00 0.00 C ATOM 522 C ARG B 1 -17.257 -16.648 -23.481 1.00 0.00 C ATOM 523 O ARG B 1 -17.329 -15.480 -23.104 1.00 0.00 O ATOM 524 CB ARG B 1 -19.048 -17.233 -21.847 1.00 0.00 C ATOM 525 CG ARG B 1 -20.332 -17.981 -22.211 1.00 0.00 C ATOM 526 CD ARG B 1 -20.534 -19.197 -21.302 1.00 0.00 C ATOM 527 NE ARG B 1 -21.472 -18.861 -20.208 1.00 0.00 N ATOM 528 CZ ARG B 1 -22.701 -19.401 -20.072 1.00 0.00 C ATOM 529 NH1 ARG B 1 -23.153 -20.310 -20.962 1.00 0.00 N ATOM 530 NH2 ARG B 1 -23.456 -19.028 -19.055 1.00 0.00 N ATOM 0 H1 ARG B 1 -17.268 -19.092 -21.178 1.00 0.00 H new ATOM 0 H2 ARG B 1 -16.060 -18.708 -22.308 1.00 0.00 H new ATOM 0 H3 ARG B 1 -16.495 -17.581 -21.114 1.00 0.00 H new ATOM 0 HA ARG B 1 -18.199 -18.579 -23.286 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -18.857 -17.330 -20.778 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -19.172 -16.170 -22.053 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -21.186 -17.310 -22.122 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -20.287 -18.303 -23.251 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -20.923 -20.034 -21.882 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -19.577 -19.514 -20.887 1.00 0.00 H new ATOM 0 HE ARG B 1 -21.171 -18.178 -19.513 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -22.564 -20.594 -21.745 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -24.083 -20.713 -20.851 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -23.108 -18.341 -18.386 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -24.387 -19.427 -18.938 1.00 0.00 H new ATOM 540 N GLY B 2 -16.680 -17.039 -24.608 1.00 0.00 N ATOM 541 CA GLY B 2 -16.070 -16.077 -25.509 1.00 0.00 C ATOM 542 C GLY B 2 -15.019 -15.236 -24.783 1.00 0.00 C ATOM 543 O GLY B 2 -14.322 -15.732 -23.900 1.00 0.00 O ATOM 0 H GLY B 2 -16.622 -18.009 -24.917 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -15.608 -16.600 -26.346 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -16.838 -15.425 -25.925 1.00 0.00 H new ATOM 547 N GLU B 3 -14.940 -13.973 -25.180 1.00 0.00 N ATOM 548 CA GLU B 3 -13.987 -13.058 -24.577 1.00 0.00 C ATOM 549 C GLU B 3 -14.720 -11.896 -23.903 1.00 0.00 C ATOM 550 O GLU B 3 -15.419 -11.131 -24.566 1.00 0.00 O ATOM 551 CB GLU B 3 -12.987 -12.545 -25.617 1.00 0.00 C ATOM 552 CG GLU B 3 -11.688 -12.088 -24.949 1.00 0.00 C ATOM 553 CD GLU B 3 -11.530 -10.569 -25.040 1.00 0.00 C ATOM 554 OE1 GLU B 3 -12.060 -9.839 -24.188 1.00 0.00 O ATOM 555 OE2 GLU B 3 -10.828 -10.153 -26.037 1.00 0.00 O ATOM 0 H GLU B 3 -15.521 -13.563 -25.912 1.00 0.00 H new ATOM 0 HA GLU B 3 -13.425 -13.599 -23.815 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -12.771 -13.333 -26.339 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -13.426 -11.716 -26.171 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -11.685 -12.396 -23.903 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -10.838 -12.575 -25.427 1.00 0.00 H new ATOM 561 N CYS B 4 -14.534 -11.801 -22.595 1.00 0.00 N ATOM 562 CA CYS B 4 -15.169 -10.746 -21.825 1.00 0.00 C ATOM 563 C CYS B 4 -14.076 -9.954 -21.103 1.00 0.00 C ATOM 564 O CYS B 4 -12.913 -10.353 -21.102 1.00 0.00 O ATOM 565 CB CYS B 4 -16.208 -11.304 -20.849 1.00 0.00 C ATOM 566 SG CYS B 4 -17.864 -11.298 -21.626 1.00 0.00 S ATOM 0 H CYS B 4 -13.953 -12.437 -22.049 1.00 0.00 H new ATOM 0 HA CYS B 4 -15.716 -10.082 -22.495 1.00 0.00 H new ATOM 0 HB2 CYS B 4 -15.937 -12.319 -20.558 1.00 0.00 H new ATOM 0 HB3 CYS B 4 -16.222 -10.705 -19.939 1.00 0.00 H new ATOM 0 HG CYS B 4 -18.737 -11.776 -20.790 1.00 0.00 H new ATOM 571 N LYS B 5 -14.489 -8.846 -20.506 1.00 0.00 N ATOM 572 CA LYS B 5 -13.559 -7.994 -19.783 1.00 0.00 C ATOM 573 C LYS B 5 -13.936 -7.981 -18.299 1.00 0.00 C ATOM 574 O LYS B 5 -15.115 -8.032 -17.954 1.00 0.00 O ATOM 575 CB LYS B 5 -13.505 -6.603 -20.416 1.00 0.00 C ATOM 576 CG LYS B 5 -14.792 -5.822 -20.138 1.00 0.00 C ATOM 577 CD LYS B 5 -15.405 -5.297 -21.439 1.00 0.00 C ATOM 578 CE LYS B 5 -16.524 -4.293 -21.150 1.00 0.00 C ATOM 579 NZ LYS B 5 -17.809 -4.997 -20.938 1.00 0.00 N ATOM 0 H LYS B 5 -15.455 -8.518 -20.508 1.00 0.00 H new ATOM 0 HA LYS B 5 -12.546 -8.390 -19.852 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -12.650 -6.054 -20.022 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -13.357 -6.695 -21.492 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -15.509 -6.465 -19.627 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -14.579 -4.988 -19.469 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.632 -4.822 -22.044 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.800 -6.129 -22.022 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.274 -3.705 -20.267 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -16.618 -3.595 -21.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -18.558 -4.302 -20.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -18.053 -5.539 -21.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.720 -5.646 -20.130 1.00 0.00 H new ATOM 588 N PHE B 6 -12.911 -7.911 -17.463 1.00 0.00 N ATOM 589 CA PHE B 6 -13.119 -7.891 -16.025 1.00 0.00 C ATOM 590 C PHE B 6 -12.507 -6.635 -15.401 1.00 0.00 C ATOM 591 O PHE B 6 -11.385 -6.257 -15.730 1.00 0.00 O ATOM 592 CB PHE B 6 -12.417 -9.124 -15.453 1.00 0.00 C ATOM 593 CG PHE B 6 -13.292 -10.379 -15.420 1.00 0.00 C ATOM 594 CD1 PHE B 6 -14.311 -10.475 -14.524 1.00 0.00 C ATOM 595 CD2 PHE B 6 -13.050 -11.399 -16.287 1.00 0.00 C ATOM 596 CE1 PHE B 6 -15.123 -11.638 -14.493 1.00 0.00 C ATOM 597 CE2 PHE B 6 -13.862 -12.565 -16.256 1.00 0.00 C ATOM 598 CZ PHE B 6 -14.881 -12.659 -15.360 1.00 0.00 C ATOM 0 H PHE B 6 -11.934 -7.867 -17.754 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.186 -7.892 -15.804 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -11.526 -9.330 -16.046 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -12.081 -8.901 -14.440 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -14.502 -9.665 -13.836 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -12.241 -11.323 -16.999 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -15.932 -11.713 -13.782 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -13.670 -13.376 -16.943 1.00 0.00 H new ATOM 0 HZ PHE B 6 -15.499 -13.545 -15.336 1.00 0.00 H new ATOM 607 N THR B 7 -13.273 -6.023 -14.510 1.00 0.00 N ATOM 608 CA THR B 7 -12.822 -4.818 -13.836 1.00 0.00 C ATOM 609 C THR B 7 -12.622 -5.085 -12.342 1.00 0.00 C ATOM 610 O THR B 7 -13.515 -4.822 -11.536 1.00 0.00 O ATOM 611 CB THR B 7 -13.832 -3.707 -14.126 1.00 0.00 C ATOM 612 OG1 THR B 7 -13.617 -3.391 -15.498 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.502 -2.407 -13.388 1.00 0.00 C ATOM 0 H THR B 7 -14.204 -6.340 -14.239 1.00 0.00 H new ATOM 0 HA THR B 7 -11.849 -4.497 -14.209 1.00 0.00 H new ATOM 0 HB THR B 7 -14.830 -4.042 -13.843 1.00 0.00 H new ATOM 0 HG1 THR B 7 -14.233 -2.679 -15.770 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.250 -1.652 -13.629 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.503 -2.588 -12.313 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.518 -2.054 -13.696 1.00 0.00 H new ATOM 621 N VAL B 8 -11.448 -5.603 -12.018 1.00 0.00 N ATOM 622 CA VAL B 8 -11.120 -5.907 -10.634 1.00 0.00 C ATOM 623 C VAL B 8 -9.922 -5.059 -10.200 1.00 0.00 C ATOM 624 O VAL B 8 -8.899 -5.029 -10.881 1.00 0.00 O ATOM 625 CB VAL B 8 -10.878 -7.410 -10.474 1.00 0.00 C ATOM 626 CG1 VAL B 8 -9.484 -7.797 -10.969 1.00 0.00 C ATOM 627 CG2 VAL B 8 -11.085 -7.844 -9.021 1.00 0.00 C ATOM 0 H VAL B 8 -10.711 -5.821 -12.689 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.953 -5.652 -9.978 1.00 0.00 H new ATOM 0 HB VAL B 8 -11.608 -7.936 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.338 -8.870 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -9.387 -7.538 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -8.731 -7.259 -10.393 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -10.907 -8.916 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -10.388 -7.306 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -12.107 -7.619 -8.716 1.00 0.00 H new HETATM 637 N DPR B 9 -10.096 -4.375 -9.038 1.00 0.00 N HETATM 638 CA DPR B 9 -9.041 -3.529 -8.504 1.00 0.00 C HETATM 639 CB DPR B 9 -9.415 -3.308 -7.047 1.00 0.00 C HETATM 640 CG DPR B 9 -10.891 -3.647 -6.939 1.00 0.00 C HETATM 641 CD DPR B 9 -11.294 -4.386 -8.205 1.00 0.00 C HETATM 642 C DPR B 9 -8.931 -2.225 -9.297 1.00 0.00 C HETATM 643 O DPR B 9 -8.168 -1.333 -8.928 1.00 0.00 O HETATM 0 HG3 DPR B 9 -11.077 -4.265 -6.061 1.00 0.00 H new HETATM 0 HG2 DPR B 9 -11.483 -2.740 -6.822 1.00 0.00 H new HETATM 0 HD3 DPR B 9 -12.128 -3.892 -8.704 1.00 0.00 H new HETATM 0 HD2 DPR B 9 -11.613 -5.404 -7.984 1.00 0.00 H new HETATM 0 HB3 DPR B 9 -8.820 -3.943 -6.391 1.00 0.00 H new HETATM 0 HB2 DPR B 9 -9.228 -2.276 -6.748 1.00 0.00 H new HETATM 0 HA DPR B 9 -8.054 -3.985 -8.584 1.00 0.00 H new ATOM 651 N GLY B 10 -9.703 -2.155 -10.372 1.00 0.00 N ATOM 652 CA GLY B 10 -9.702 -0.975 -11.219 1.00 0.00 C ATOM 653 C GLY B 10 -8.837 -1.195 -12.463 1.00 0.00 C ATOM 654 O GLY B 10 -8.618 -0.269 -13.242 1.00 0.00 O ATOM 0 H GLY B 10 -10.334 -2.897 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.723 -0.737 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -9.327 -0.120 -10.657 1.00 0.00 H new ATOM 658 N ARG B 11 -8.371 -2.426 -12.609 1.00 0.00 N ATOM 659 CA ARG B 11 -7.536 -2.780 -13.746 1.00 0.00 C ATOM 660 C ARG B 11 -8.352 -3.553 -14.784 1.00 0.00 C ATOM 661 O ARG B 11 -9.221 -4.349 -14.429 1.00 0.00 O ATOM 662 CB ARG B 11 -6.343 -3.631 -13.308 1.00 0.00 C ATOM 663 CG ARG B 11 -5.495 -2.893 -12.271 1.00 0.00 C ATOM 664 CD ARG B 11 -5.127 -1.491 -12.758 1.00 0.00 C ATOM 665 NE ARG B 11 -5.985 -0.484 -12.096 1.00 0.00 N ATOM 666 CZ ARG B 11 -5.820 -0.069 -10.821 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.825 -0.573 -10.061 1.00 0.00 N ATOM 668 NH2 ARG B 11 -6.646 0.837 -10.331 1.00 0.00 N ATOM 0 H ARG B 11 -8.555 -3.191 -11.960 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.166 -1.854 -14.187 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.698 -4.573 -12.889 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.730 -3.878 -14.175 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -6.043 -2.823 -11.332 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.587 -3.461 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.078 -1.286 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.248 -1.429 -13.840 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.749 -0.078 -12.636 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.191 -1.272 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.707 -0.255 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -7.395 1.213 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -6.536 1.161 -9.370 1.00 0.00 H new ATOM 678 N THR B 12 -8.044 -3.291 -16.045 1.00 0.00 N ATOM 679 CA THR B 12 -8.739 -3.952 -17.137 1.00 0.00 C ATOM 680 C THR B 12 -8.020 -5.249 -17.519 1.00 0.00 C ATOM 681 O THR B 12 -7.180 -5.255 -18.417 1.00 0.00 O ATOM 682 CB THR B 12 -8.855 -2.959 -18.294 1.00 0.00 C ATOM 683 OG1 THR B 12 -9.902 -2.079 -17.894 1.00 0.00 O ATOM 684 CG2 THR B 12 -9.383 -3.608 -19.575 1.00 0.00 C ATOM 0 H THR B 12 -7.323 -2.631 -16.335 1.00 0.00 H new ATOM 0 HA THR B 12 -9.746 -4.249 -16.843 1.00 0.00 H new ATOM 0 HB THR B 12 -7.879 -2.515 -18.489 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.042 -1.401 -18.588 1.00 0.00 H new ATOM 0 HG21 THR B 12 -9.445 -2.858 -20.364 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.707 -4.405 -19.885 1.00 0.00 H new ATOM 0 HG23 THR B 12 -10.374 -4.024 -19.391 1.00 0.00 H new ATOM 692 N ALA B 13 -8.376 -6.314 -16.817 1.00 0.00 N ATOM 693 CA ALA B 13 -7.776 -7.613 -17.071 1.00 0.00 C ATOM 694 C ALA B 13 -8.801 -8.516 -17.759 1.00 0.00 C ATOM 695 O ALA B 13 -9.983 -8.496 -17.417 1.00 0.00 O ATOM 696 CB ALA B 13 -7.266 -8.205 -15.757 1.00 0.00 C ATOM 0 H ALA B 13 -9.073 -6.304 -16.072 1.00 0.00 H new ATOM 0 HA ALA B 13 -6.920 -7.517 -17.739 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.816 -9.179 -15.947 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.520 -7.539 -15.323 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -8.098 -8.319 -15.062 1.00 0.00 H new ATOM 702 N LEU B 14 -8.311 -9.290 -18.717 1.00 0.00 N ATOM 703 CA LEU B 14 -9.169 -10.201 -19.456 1.00 0.00 C ATOM 704 C LEU B 14 -8.581 -11.612 -19.394 1.00 0.00 C ATOM 705 O LEU B 14 -7.423 -11.790 -19.024 1.00 0.00 O ATOM 706 CB LEU B 14 -9.390 -9.690 -20.882 1.00 0.00 C ATOM 707 CG LEU B 14 -8.188 -9.784 -21.822 1.00 0.00 C ATOM 708 CD1 LEU B 14 -8.230 -11.077 -22.638 1.00 0.00 C ATOM 709 CD2 LEU B 14 -8.092 -8.546 -22.716 1.00 0.00 C ATOM 0 H LEU B 14 -7.331 -9.305 -18.998 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.158 -10.247 -19.000 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -10.215 -10.249 -21.323 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.703 -8.647 -20.829 1.00 0.00 H new ATOM 0 HG LEU B 14 -7.283 -9.814 -21.216 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -7.364 -11.119 -23.298 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -8.214 -11.933 -21.964 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -9.142 -11.102 -23.234 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -7.228 -8.639 -23.375 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -8.998 -8.459 -23.316 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -7.981 -7.657 -22.095 1.00 0.00 H new ATOM 720 N ASN B 15 -9.409 -12.580 -19.761 1.00 0.00 N ATOM 721 CA ASN B 15 -8.986 -13.970 -19.751 1.00 0.00 C ATOM 722 C ASN B 15 -8.561 -14.379 -21.164 1.00 0.00 C ATOM 723 O ASN B 15 -9.391 -14.442 -22.070 1.00 0.00 O ATOM 724 CB ASN B 15 -10.128 -14.889 -19.315 1.00 0.00 C ATOM 725 CG ASN B 15 -9.590 -16.135 -18.607 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.760 -16.864 -19.124 1.00 0.00 O ATOM 727 ND2 ASN B 15 -10.107 -16.336 -17.399 1.00 0.00 N ATOM 0 H ASN B 15 -10.370 -12.429 -20.067 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.158 -14.067 -19.049 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.800 -14.349 -18.648 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.714 -15.185 -20.185 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.812 -17.140 -16.845 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.799 -15.686 -17.026 1.00 0.00 H new ATOM 733 N THR B 16 -7.273 -14.650 -21.305 1.00 0.00 N ATOM 734 CA THR B 16 -6.729 -15.052 -22.591 1.00 0.00 C ATOM 735 C THR B 16 -6.390 -16.543 -22.583 1.00 0.00 C ATOM 736 O THR B 16 -5.295 -16.932 -22.179 1.00 0.00 O ATOM 737 CB THR B 16 -5.527 -14.155 -22.896 1.00 0.00 C ATOM 738 OG1 THR B 16 -6.104 -12.884 -23.180 1.00 0.00 O ATOM 739 CG2 THR B 16 -4.823 -14.544 -24.198 1.00 0.00 C ATOM 0 H THR B 16 -6.589 -14.599 -20.550 1.00 0.00 H new ATOM 0 HA THR B 16 -7.460 -14.922 -23.389 1.00 0.00 H new ATOM 0 HB THR B 16 -4.818 -14.206 -22.070 1.00 0.00 H new ATOM 0 HG1 THR B 16 -5.766 -12.221 -22.542 1.00 0.00 H new ATOM 0 HG21 THR B 16 -3.978 -13.877 -24.368 1.00 0.00 H new ATOM 0 HG22 THR B 16 -4.466 -15.571 -24.126 1.00 0.00 H new ATOM 0 HG23 THR B 16 -5.523 -14.461 -25.029 1.00 0.00 H new HETATM 747 N DPR B 17 -7.374 -17.358 -23.048 1.00 0.00 N HETATM 748 CA DPR B 17 -7.191 -18.798 -23.098 1.00 0.00 C HETATM 749 CB DPR B 17 -8.268 -19.300 -24.046 1.00 0.00 C HETATM 750 CG DPR B 17 -9.301 -18.188 -24.128 1.00 0.00 C HETATM 751 CD DPR B 17 -8.683 -16.932 -23.534 1.00 0.00 C HETATM 752 C DPR B 17 -7.292 -19.414 -21.700 1.00 0.00 C HETATM 753 O DPR B 17 -8.387 -19.730 -21.236 1.00 0.00 O HETATM 0 HG3 DPR B 17 -9.595 -18.016 -25.163 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -10.203 -18.464 -23.582 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -9.295 -16.534 -22.725 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -8.591 -16.144 -24.282 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -7.852 -19.520 -25.029 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -8.715 -20.222 -23.676 1.00 0.00 H new HETATM 0 HA DPR B 17 -6.201 -19.083 -23.454 1.00 0.00 H new ATOM 761 N ALA B 18 -6.136 -19.566 -21.070 1.00 0.00 N ATOM 762 CA ALA B 18 -6.082 -20.137 -19.735 1.00 0.00 C ATOM 763 C ALA B 18 -5.109 -19.326 -18.878 1.00 0.00 C ATOM 764 O ALA B 18 -4.670 -19.787 -17.826 1.00 0.00 O ATOM 765 CB ALA B 18 -5.687 -21.613 -19.828 1.00 0.00 C ATOM 0 H ALA B 18 -5.230 -19.304 -21.459 1.00 0.00 H new ATOM 0 HA ALA B 18 -7.060 -20.090 -19.257 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -5.646 -22.042 -18.827 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -6.425 -22.150 -20.424 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.708 -21.699 -20.300 1.00 0.00 H new ATOM 771 N VAL B 19 -4.799 -18.131 -19.360 1.00 0.00 N ATOM 772 CA VAL B 19 -3.886 -17.251 -18.651 1.00 0.00 C ATOM 773 C VAL B 19 -4.624 -15.974 -18.248 1.00 0.00 C ATOM 774 O VAL B 19 -5.686 -15.670 -18.789 1.00 0.00 O ATOM 775 CB VAL B 19 -2.647 -16.982 -19.507 1.00 0.00 C ATOM 776 CG1 VAL B 19 -1.924 -18.285 -19.850 1.00 0.00 C ATOM 777 CG2 VAL B 19 -3.016 -16.210 -20.776 1.00 0.00 C ATOM 0 H VAL B 19 -5.164 -17.752 -20.234 1.00 0.00 H new ATOM 0 HA VAL B 19 -3.534 -17.725 -17.735 1.00 0.00 H new ATOM 0 HB VAL B 19 -1.964 -16.364 -18.924 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.047 -18.065 -20.459 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -1.612 -18.781 -18.931 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -2.596 -18.939 -20.405 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -2.118 -16.031 -21.367 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.727 -16.792 -21.362 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.467 -15.256 -20.503 1.00 0.00 H new ATOM 787 N GLN B 20 -4.032 -15.258 -17.304 1.00 0.00 N ATOM 788 CA GLN B 20 -4.620 -14.019 -16.824 1.00 0.00 C ATOM 789 C GLN B 20 -3.771 -12.824 -17.260 1.00 0.00 C ATOM 790 O GLN B 20 -2.584 -12.753 -16.946 1.00 0.00 O ATOM 791 CB GLN B 20 -4.790 -14.046 -15.302 1.00 0.00 C ATOM 792 CG GLN B 20 -6.239 -14.351 -14.918 1.00 0.00 C ATOM 793 CD GLN B 20 -6.315 -15.572 -13.998 1.00 0.00 C ATOM 794 OE1 GLN B 20 -6.392 -16.708 -14.436 1.00 0.00 O ATOM 795 NE2 GLN B 20 -6.289 -15.276 -12.702 1.00 0.00 N ATOM 0 H GLN B 20 -3.151 -15.512 -16.858 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.611 -13.915 -17.266 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.130 -14.799 -14.872 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.493 -13.085 -14.882 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -6.677 -13.487 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.828 -14.531 -15.818 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.223 -14.303 -12.402 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -6.335 -16.022 -12.008 1.00 0.00 H new ATOM 802 N LYS B 21 -4.413 -11.914 -17.978 1.00 0.00 N ATOM 803 CA LYS B 21 -3.731 -10.725 -18.461 1.00 0.00 C ATOM 804 C LYS B 21 -4.316 -9.492 -17.769 1.00 0.00 C ATOM 805 O LYS B 21 -5.516 -9.237 -17.858 1.00 0.00 O ATOM 806 CB LYS B 21 -3.788 -10.658 -19.989 1.00 0.00 C ATOM 807 CG LYS B 21 -2.724 -9.704 -20.535 1.00 0.00 C ATOM 808 CD LYS B 21 -3.350 -8.378 -20.970 1.00 0.00 C ATOM 809 CE LYS B 21 -3.775 -8.428 -22.439 1.00 0.00 C ATOM 810 NZ LYS B 21 -4.948 -7.555 -22.670 1.00 0.00 N ATOM 0 H LYS B 21 -5.398 -11.976 -18.237 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.672 -10.762 -18.206 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.638 -11.654 -20.406 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.777 -10.326 -20.306 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.968 -9.521 -19.771 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.216 -10.166 -21.382 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -4.215 -8.158 -20.345 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.635 -7.568 -20.822 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.948 -8.111 -23.074 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -4.017 -9.453 -22.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -5.317 -7.715 -23.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -5.688 -7.776 -21.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -4.665 -6.559 -22.570 1.00 0.00 H new ATOM 819 N TRP B 22 -3.440 -8.758 -17.099 1.00 0.00 N ATOM 820 CA TRP B 22 -3.854 -7.558 -16.393 1.00 0.00 C ATOM 821 C TRP B 22 -3.326 -6.348 -17.167 1.00 0.00 C ATOM 822 O TRP B 22 -2.118 -6.135 -17.241 1.00 0.00 O ATOM 823 CB TRP B 22 -3.384 -7.587 -14.937 1.00 0.00 C ATOM 824 CG TRP B 22 -4.101 -8.627 -14.072 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.455 -9.875 -14.407 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.538 -8.456 -12.708 1.00 0.00 C ATOM 827 NE1 TRP B 22 -5.086 -10.518 -13.361 1.00 0.00 N ATOM 828 CE2 TRP B 22 -5.139 -9.628 -12.297 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.431 -7.347 -11.850 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.678 -9.804 -11.017 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -4.976 -7.540 -10.575 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.582 -8.712 -10.145 1.00 0.00 C ATOM 0 H TRP B 22 -2.445 -8.971 -17.030 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.941 -7.495 -16.346 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.313 -7.788 -14.916 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -3.532 -6.600 -14.498 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.270 -10.321 -15.373 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -5.447 -11.472 -13.369 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.965 -6.420 -12.151 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.143 -10.732 -10.718 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.921 -6.718 -9.876 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -5.978 -8.782 -9.143 1.00 0.00 H new ATOM 842 N HIS B 23 -4.259 -5.590 -17.724 1.00 0.00 N ATOM 843 CA HIS B 23 -3.902 -4.407 -18.489 1.00 0.00 C ATOM 844 C HIS B 23 -4.293 -3.151 -17.707 1.00 0.00 C ATOM 845 O HIS B 23 -5.447 -2.996 -17.312 1.00 0.00 O ATOM 846 CB HIS B 23 -4.527 -4.454 -19.884 1.00 0.00 C ATOM 847 CG HIS B 23 -4.458 -3.145 -20.633 1.00 0.00 C ATOM 848 ND1 HIS B 23 -5.566 -2.341 -20.841 1.00 0.00 N ATOM 849 CD2 HIS B 23 -3.404 -2.509 -21.222 1.00 0.00 C ATOM 850 CE1 HIS B 23 -5.184 -1.272 -21.524 1.00 0.00 C ATOM 851 NE2 HIS B 23 -3.844 -1.378 -21.760 1.00 0.00 N ATOM 0 H HIS B 23 -5.261 -5.772 -17.661 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.823 -4.379 -18.638 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -4.024 -5.223 -20.470 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -5.571 -4.754 -19.793 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -6.515 -2.538 -20.523 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.385 -2.865 -21.246 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -5.821 -0.459 -21.839 1.00 0.00 H new ATOM 858 N PHE B 24 -3.308 -2.288 -17.507 1.00 0.00 N ATOM 859 CA PHE B 24 -3.535 -1.051 -16.779 1.00 0.00 C ATOM 860 C PHE B 24 -3.434 0.159 -17.709 1.00 0.00 C ATOM 861 O PHE B 24 -2.443 0.317 -18.423 1.00 0.00 O ATOM 862 CB PHE B 24 -2.441 -0.953 -15.712 1.00 0.00 C ATOM 863 CG PHE B 24 -2.283 -2.217 -14.866 1.00 0.00 C ATOM 864 CD1 PHE B 24 -3.354 -3.025 -14.642 1.00 0.00 C ATOM 865 CD2 PHE B 24 -1.071 -2.532 -14.335 1.00 0.00 C ATOM 866 CE1 PHE B 24 -3.207 -4.198 -13.857 1.00 0.00 C ATOM 867 CE2 PHE B 24 -0.923 -3.707 -13.550 1.00 0.00 C ATOM 868 CZ PHE B 24 -1.995 -4.515 -13.327 1.00 0.00 C ATOM 0 H PHE B 24 -2.352 -2.421 -17.836 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.533 -1.055 -16.340 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.491 -0.733 -16.199 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.664 -0.113 -15.054 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.317 -2.774 -15.062 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.221 -1.889 -14.510 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.058 -4.839 -13.680 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.040 -3.959 -13.130 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.884 -5.408 -12.729 1.00 0.00 H new ATOM 877 N VAL B 25 -4.470 0.984 -17.671 1.00 0.00 N ATOM 878 CA VAL B 25 -4.510 2.175 -18.501 1.00 0.00 C ATOM 879 C VAL B 25 -4.786 3.396 -17.622 1.00 0.00 C ATOM 880 O VAL B 25 -5.904 3.580 -17.143 1.00 0.00 O ATOM 881 CB VAL B 25 -5.538 1.999 -19.620 1.00 0.00 C ATOM 882 CG1 VAL B 25 -6.956 2.271 -19.109 1.00 0.00 C ATOM 883 CG2 VAL B 25 -5.208 2.893 -20.816 1.00 0.00 C ATOM 0 H VAL B 25 -5.289 0.851 -17.078 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.547 2.335 -18.985 1.00 0.00 H new ATOM 0 HB VAL B 25 -5.493 0.963 -19.954 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -7.668 2.139 -19.924 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -7.193 1.575 -18.304 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -7.018 3.293 -18.735 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.955 2.747 -21.596 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -5.210 3.937 -20.502 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.223 2.633 -21.204 1.00 0.00 H new ATOM 893 N LEU B 26 -3.748 4.198 -17.436 1.00 0.00 N ATOM 894 CA LEU B 26 -3.865 5.396 -16.622 1.00 0.00 C ATOM 895 C LEU B 26 -3.429 6.611 -17.444 1.00 0.00 C ATOM 896 O LEU B 26 -2.263 7.005 -17.405 1.00 0.00 O ATOM 897 CB LEU B 26 -3.092 5.232 -15.312 1.00 0.00 C ATOM 898 CG LEU B 26 -3.630 6.018 -14.113 1.00 0.00 C ATOM 899 CD1 LEU B 26 -4.234 5.077 -13.068 1.00 0.00 C ATOM 900 CD2 LEU B 26 -2.545 6.916 -13.516 1.00 0.00 C ATOM 0 H LEU B 26 -2.822 4.042 -17.835 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.903 5.560 -16.335 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.078 4.174 -15.051 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.058 5.531 -15.483 1.00 0.00 H new ATOM 0 HG LEU B 26 -4.431 6.669 -14.462 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.609 5.660 -12.227 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.055 4.516 -13.515 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.469 4.384 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.953 7.463 -12.666 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.707 6.303 -13.185 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.201 7.623 -14.271 1.00 0.00 H new HETATM 911 N DPR B 27 -4.412 7.185 -18.188 1.00 0.00 N HETATM 912 CA DPR B 27 -4.141 8.347 -19.018 1.00 0.00 C HETATM 913 CB DPR B 27 -5.506 8.942 -19.320 1.00 0.00 C HETATM 914 CG DPR B 27 -6.513 7.838 -19.039 1.00 0.00 C HETATM 915 CD DPR B 27 -5.802 6.744 -18.259 1.00 0.00 C HETATM 916 C DPR B 27 -3.370 7.950 -20.280 1.00 0.00 C HETATM 917 O DPR B 27 -3.935 7.358 -21.197 1.00 0.00 O HETATM 0 HG3 DPR B 27 -7.356 8.227 -18.468 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -6.915 7.442 -19.972 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -5.887 5.780 -18.761 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -6.231 6.624 -17.264 1.00 0.00 H new HETATM 0 HB3 DPR B 27 -5.699 9.815 -18.696 1.00 0.00 H new HETATM 0 HB2 DPR B 27 -5.567 9.272 -20.357 1.00 0.00 H new HETATM 0 HA DPR B 27 -3.503 9.079 -18.522 1.00 0.00 H new ATOM 925 N GLY B 28 -2.090 8.293 -20.285 1.00 0.00 N ATOM 926 CA GLY B 28 -1.235 7.982 -21.418 1.00 0.00 C ATOM 927 C GLY B 28 -0.259 6.856 -21.074 1.00 0.00 C ATOM 928 O GLY B 28 0.501 6.406 -21.930 1.00 0.00 O ATOM 0 H GLY B 28 -1.624 8.784 -19.522 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -1.847 7.690 -22.271 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -0.680 8.872 -21.714 1.00 0.00 H new ATOM 932 N TYR B 29 -0.312 6.432 -19.820 1.00 0.00 N ATOM 933 CA TYR B 29 0.558 5.366 -19.353 1.00 0.00 C ATOM 934 C TYR B 29 -0.103 3.998 -19.531 1.00 0.00 C ATOM 935 O TYR B 29 -1.228 3.786 -19.079 1.00 0.00 O ATOM 936 CB TYR B 29 0.777 5.623 -17.861 1.00 0.00 C ATOM 937 CG TYR B 29 1.830 6.691 -17.561 1.00 0.00 C ATOM 938 CD1 TYR B 29 1.802 7.896 -18.233 1.00 0.00 C ATOM 939 CD2 TYR B 29 2.808 6.450 -16.617 1.00 0.00 C ATOM 940 CE1 TYR B 29 2.793 8.902 -17.950 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.799 7.456 -16.333 1.00 0.00 C ATOM 942 CZ TYR B 29 3.743 8.632 -17.015 1.00 0.00 C ATOM 943 OH TYR B 29 4.679 9.580 -16.748 1.00 0.00 O ATOM 0 H TYR B 29 -0.944 6.807 -19.113 1.00 0.00 H new ATOM 0 HA TYR B 29 1.490 5.358 -19.918 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -0.169 5.925 -17.412 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.074 4.690 -17.382 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.037 8.085 -18.971 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.830 5.507 -16.091 1.00 0.00 H new ATOM 0 HE1 TYR B 29 2.782 9.849 -18.469 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.569 7.281 -15.596 1.00 0.00 H new ATOM 0 HH TYR B 29 5.292 9.249 -16.059 1.00 0.00 H new ATOM 952 N LYS B 30 0.621 3.107 -20.191 1.00 0.00 N ATOM 953 CA LYS B 30 0.116 1.766 -20.436 1.00 0.00 C ATOM 954 C LYS B 30 1.033 0.749 -19.751 1.00 0.00 C ATOM 955 O LYS B 30 2.132 0.478 -20.232 1.00 0.00 O ATOM 956 CB LYS B 30 -0.059 1.524 -21.936 1.00 0.00 C ATOM 957 CG LYS B 30 -0.762 0.191 -22.199 1.00 0.00 C ATOM 958 CD LYS B 30 0.251 -0.906 -22.535 1.00 0.00 C ATOM 959 CE LYS B 30 0.515 -0.965 -24.040 1.00 0.00 C ATOM 960 NZ LYS B 30 1.118 -2.265 -24.411 1.00 0.00 N ATOM 0 H LYS B 30 1.553 3.287 -20.564 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.876 1.647 -20.001 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.638 2.337 -22.374 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.915 1.528 -22.425 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.340 -0.099 -21.321 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.468 0.304 -23.022 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.185 -0.718 -22.005 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.123 -1.870 -22.190 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.418 -0.822 -24.585 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.181 -0.153 -24.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.291 -2.288 -25.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.019 -2.387 -23.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.469 -3.035 -24.152 1.00 0.00 H new ATOM 969 N CYS B 31 0.546 0.215 -18.641 1.00 0.00 N ATOM 970 CA CYS B 31 1.308 -0.765 -17.886 1.00 0.00 C ATOM 971 C CYS B 31 0.575 -2.107 -17.963 1.00 0.00 C ATOM 972 O CYS B 31 -0.435 -2.306 -17.292 1.00 0.00 O ATOM 973 CB CYS B 31 1.530 -0.319 -16.439 1.00 0.00 C ATOM 974 SG CYS B 31 2.437 -1.518 -15.396 1.00 0.00 S ATOM 0 H CYS B 31 -0.367 0.442 -18.246 1.00 0.00 H new ATOM 0 HA CYS B 31 2.302 -0.869 -18.321 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.078 0.623 -16.444 1.00 0.00 H new ATOM 0 HB3 CYS B 31 0.560 -0.122 -15.982 1.00 0.00 H new ATOM 978 N GLU B 32 1.112 -2.992 -18.790 1.00 0.00 N ATOM 979 CA GLU B 32 0.523 -4.307 -18.965 1.00 0.00 C ATOM 980 C GLU B 32 1.490 -5.391 -18.484 1.00 0.00 C ATOM 981 O GLU B 32 2.670 -5.373 -18.833 1.00 0.00 O ATOM 982 CB GLU B 32 0.119 -4.540 -20.422 1.00 0.00 C ATOM 983 CG GLU B 32 -0.685 -5.831 -20.569 1.00 0.00 C ATOM 984 CD GLU B 32 -0.392 -6.512 -21.908 1.00 0.00 C ATOM 985 OE1 GLU B 32 -1.301 -6.670 -22.736 1.00 0.00 O ATOM 986 OE2 GLU B 32 0.833 -6.879 -22.076 1.00 0.00 O ATOM 0 H GLU B 32 1.950 -2.823 -19.347 1.00 0.00 H new ATOM 0 HA GLU B 32 -0.382 -4.360 -18.360 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -0.473 -3.697 -20.778 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.011 -4.590 -21.047 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.442 -6.510 -19.751 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -1.750 -5.611 -20.495 1.00 0.00 H new ATOM 992 N ILE B 33 0.955 -6.309 -17.693 1.00 0.00 N ATOM 993 CA ILE B 33 1.757 -7.399 -17.163 1.00 0.00 C ATOM 994 C ILE B 33 1.082 -8.731 -17.494 1.00 0.00 C ATOM 995 O ILE B 33 -0.113 -8.771 -17.784 1.00 0.00 O ATOM 996 CB ILE B 33 2.015 -7.195 -15.668 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.765 -7.520 -14.846 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.533 -5.783 -15.388 1.00 0.00 C ATOM 999 CD1 ILE B 33 1.114 -7.701 -13.368 1.00 0.00 C ATOM 0 H ILE B 33 -0.024 -6.321 -17.406 1.00 0.00 H new ATOM 0 HA ILE B 33 2.740 -7.414 -17.634 1.00 0.00 H new ATOM 0 HB ILE B 33 2.794 -7.891 -15.358 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.035 -6.718 -14.956 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.300 -8.429 -15.228 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.708 -5.665 -14.319 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.466 -5.624 -15.928 1.00 0.00 H new ATOM 0 HG23 ILE B 33 1.794 -5.052 -15.718 1.00 0.00 H new ATOM 0 HD11 ILE B 33 0.209 -7.931 -12.806 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.826 -8.519 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.556 -6.782 -12.983 1.00 0.00 H new ATOM 1010 N LEU B 34 1.878 -9.790 -17.439 1.00 0.00 N ATOM 1011 CA LEU B 34 1.371 -11.121 -17.731 1.00 0.00 C ATOM 1012 C LEU B 34 1.380 -11.956 -16.449 1.00 0.00 C ATOM 1013 O LEU B 34 2.382 -11.995 -15.736 1.00 0.00 O ATOM 1014 CB LEU B 34 2.157 -11.752 -18.881 1.00 0.00 C ATOM 1015 CG LEU B 34 3.551 -12.276 -18.535 1.00 0.00 C ATOM 1016 CD1 LEU B 34 3.560 -13.805 -18.464 1.00 0.00 C ATOM 1017 CD2 LEU B 34 4.598 -11.741 -19.515 1.00 0.00 C ATOM 0 H LEU B 34 2.868 -9.753 -17.197 1.00 0.00 H new ATOM 0 HA LEU B 34 0.337 -11.070 -18.072 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.571 -12.577 -19.285 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.256 -11.012 -19.675 1.00 0.00 H new ATOM 0 HG LEU B 34 3.819 -11.906 -17.545 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.563 -14.152 -18.216 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.861 -14.138 -17.696 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.262 -14.216 -19.429 1.00 0.00 H new ATOM 0 HD21 LEU B 34 5.580 -12.129 -19.246 1.00 0.00 H new ATOM 0 HD22 LEU B 34 4.346 -12.060 -20.526 1.00 0.00 H new ATOM 0 HD23 LEU B 34 4.614 -10.652 -19.472 1.00 0.00 H new ATOM 1028 N ALA B 35 0.253 -12.605 -16.195 1.00 0.00 N ATOM 1029 CA ALA B 35 0.118 -13.436 -15.011 1.00 0.00 C ATOM 1030 C ALA B 35 -0.241 -14.863 -15.435 1.00 0.00 C ATOM 1031 O ALA B 35 -1.337 -15.108 -15.934 1.00 0.00 O ATOM 1032 CB ALA B 35 -0.926 -12.827 -14.074 1.00 0.00 C ATOM 0 H ALA B 35 -0.575 -12.572 -16.789 1.00 0.00 H new ATOM 0 HA ALA B 35 1.060 -13.480 -14.464 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -1.026 -13.451 -13.186 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.611 -11.826 -13.780 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -1.886 -12.769 -14.587 1.00 0.00 H new TER 1038 ALA B 35