USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 27:sc= 0.545 USER MOD Single : A 9 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.78) USER MOD Single : A 13 SER OG : rot 110:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.49! C(o=-3.5!,f=-9.4!) USER MOD Single : A 39 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.6) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 93:sc= -0.097 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -131:sc= -11.4! (180deg=-19.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 166:sc= 0.813 USER MOD Single : A 65 SER OG : rot 180:sc= 0.114 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 82:sc= 0.0544 USER MOD Single : B 22 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.869 -8.290 8.780 1.00 0.00 N ATOM 67 CA THR A 6 1.955 -8.424 9.794 1.00 0.00 C ATOM 68 C THR A 6 3.054 -9.357 9.274 1.00 0.00 C ATOM 69 O THR A 6 4.138 -8.923 8.936 1.00 0.00 O ATOM 70 CB THR A 6 1.277 -9.017 11.029 1.00 0.00 C ATOM 71 OG1 THR A 6 0.056 -8.333 11.272 1.00 0.00 O ATOM 72 CG2 THR A 6 2.199 -8.864 12.241 1.00 0.00 C ATOM 0 HA THR A 6 2.433 -7.470 10.016 1.00 0.00 H new ATOM 0 HB THR A 6 1.074 -10.074 10.860 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.286 -7.964 10.431 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.716 -9.287 13.122 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.136 -9.389 12.054 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.403 -7.807 12.412 1.00 0.00 H new ATOM 80 N ALA A 7 2.784 -10.632 9.200 1.00 0.00 N ATOM 81 CA ALA A 7 3.818 -11.581 8.694 1.00 0.00 C ATOM 82 C ALA A 7 4.054 -11.334 7.203 1.00 0.00 C ATOM 83 O ALA A 7 5.161 -11.432 6.712 1.00 0.00 O ATOM 84 CB ALA A 7 3.232 -12.975 8.925 1.00 0.00 C ATOM 0 H ALA A 7 1.896 -11.057 9.467 1.00 0.00 H new ATOM 0 HA ALA A 7 4.777 -11.463 9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.938 -13.729 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.044 -13.119 9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.296 -13.072 8.374 1.00 0.00 H new ATOM 90 N GLU A 8 3.017 -11.005 6.482 1.00 0.00 N ATOM 91 CA GLU A 8 3.174 -10.738 5.025 1.00 0.00 C ATOM 92 C GLU A 8 3.927 -9.422 4.817 1.00 0.00 C ATOM 93 O GLU A 8 4.720 -9.286 3.906 1.00 0.00 O ATOM 94 CB GLU A 8 1.746 -10.632 4.485 1.00 0.00 C ATOM 95 CG GLU A 8 1.613 -11.490 3.225 1.00 0.00 C ATOM 96 CD GLU A 8 1.987 -10.656 1.999 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.172 -9.847 1.587 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.083 -10.839 1.494 1.00 0.00 O ATOM 0 H GLU A 8 2.067 -10.910 6.840 1.00 0.00 H new ATOM 0 HA GLU A 8 3.742 -11.517 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.034 -10.964 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.508 -9.593 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.262 -12.363 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.592 -11.859 3.129 1.00 0.00 H new ATOM 105 N GLN A 9 3.685 -8.452 5.657 1.00 0.00 N ATOM 106 CA GLN A 9 4.388 -7.147 5.509 1.00 0.00 C ATOM 107 C GLN A 9 5.899 -7.344 5.658 1.00 0.00 C ATOM 108 O GLN A 9 6.682 -6.789 4.913 1.00 0.00 O ATOM 109 CB GLN A 9 3.845 -6.274 6.642 1.00 0.00 C ATOM 110 CG GLN A 9 2.960 -5.171 6.059 1.00 0.00 C ATOM 111 CD GLN A 9 3.728 -3.847 6.056 1.00 0.00 C ATOM 112 OE1 GLN A 9 4.936 -3.834 5.930 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.073 -2.726 6.191 1.00 0.00 N ATOM 0 H GLN A 9 3.032 -8.507 6.438 1.00 0.00 H new ATOM 0 HA GLN A 9 4.221 -6.694 4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.272 -6.883 7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.669 -5.834 7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.658 -5.431 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.048 -5.073 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.059 -2.738 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.576 -1.838 6.191 1.00 0.00 H new ATOM 122 N VAL A 10 6.315 -8.136 6.609 1.00 0.00 N ATOM 123 CA VAL A 10 7.775 -8.370 6.794 1.00 0.00 C ATOM 124 C VAL A 10 8.365 -8.996 5.528 1.00 0.00 C ATOM 125 O VAL A 10 9.395 -8.576 5.038 1.00 0.00 O ATOM 126 CB VAL A 10 7.882 -9.337 7.973 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.346 -9.724 8.187 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.347 -8.658 9.237 1.00 0.00 C ATOM 0 H VAL A 10 5.709 -8.630 7.264 1.00 0.00 H new ATOM 0 HA VAL A 10 8.322 -7.446 6.982 1.00 0.00 H new ATOM 0 HB VAL A 10 7.297 -10.232 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.421 -10.413 9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.730 -10.205 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.932 -8.829 8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.422 -9.346 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.934 -7.763 9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.304 -8.381 9.087 1.00 0.00 H new ATOM 138 N ILE A 11 7.715 -9.992 4.991 1.00 0.00 N ATOM 139 CA ILE A 11 8.232 -10.636 3.751 1.00 0.00 C ATOM 140 C ILE A 11 8.432 -9.572 2.672 1.00 0.00 C ATOM 141 O ILE A 11 9.455 -9.523 2.018 1.00 0.00 O ATOM 142 CB ILE A 11 7.151 -11.636 3.340 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.103 -12.778 4.358 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.474 -12.205 1.957 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.749 -13.482 4.278 1.00 0.00 C ATOM 0 H ILE A 11 6.849 -10.387 5.357 1.00 0.00 H new ATOM 0 HA ILE A 11 9.193 -11.129 3.899 1.00 0.00 H new ATOM 0 HB ILE A 11 6.186 -11.131 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.906 -13.489 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.263 -12.389 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.702 -12.917 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.511 -11.394 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.440 -12.709 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.718 -14.295 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.955 -12.769 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.607 -13.886 3.275 1.00 0.00 H new ATOM 157 N ALA A 12 7.473 -8.703 2.495 1.00 0.00 N ATOM 158 CA ALA A 12 7.630 -7.631 1.474 1.00 0.00 C ATOM 159 C ALA A 12 8.885 -6.826 1.801 1.00 0.00 C ATOM 160 O ALA A 12 9.660 -6.479 0.932 1.00 0.00 O ATOM 161 CB ALA A 12 6.378 -6.763 1.604 1.00 0.00 C ATOM 0 H ALA A 12 6.593 -8.690 3.011 1.00 0.00 H new ATOM 0 HA ALA A 12 7.735 -8.017 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.423 -5.949 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.493 -7.370 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.324 -6.350 2.611 1.00 0.00 H new ATOM 167 N SER A 13 9.103 -6.550 3.059 1.00 0.00 N ATOM 168 CA SER A 13 10.321 -5.794 3.453 1.00 0.00 C ATOM 169 C SER A 13 11.548 -6.673 3.205 1.00 0.00 C ATOM 170 O SER A 13 12.582 -6.208 2.768 1.00 0.00 O ATOM 171 CB SER A 13 10.150 -5.509 4.945 1.00 0.00 C ATOM 172 OG SER A 13 9.372 -4.331 5.110 1.00 0.00 O ATOM 0 H SER A 13 8.489 -6.816 3.829 1.00 0.00 H new ATOM 0 HA SER A 13 10.454 -4.871 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.663 -6.352 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.124 -5.385 5.418 1.00 0.00 H new ATOM 0 HG SER A 13 8.491 -4.568 5.469 1.00 0.00 H new ATOM 178 N PHE A 14 11.430 -7.949 3.465 1.00 0.00 N ATOM 179 CA PHE A 14 12.579 -8.867 3.226 1.00 0.00 C ATOM 180 C PHE A 14 12.830 -8.985 1.723 1.00 0.00 C ATOM 181 O PHE A 14 13.957 -8.968 1.268 1.00 0.00 O ATOM 182 CB PHE A 14 12.144 -10.213 3.807 1.00 0.00 C ATOM 183 CG PHE A 14 12.710 -10.372 5.197 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.090 -10.260 5.408 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.855 -10.628 6.275 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.613 -10.406 6.699 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.378 -10.774 7.564 1.00 0.00 C ATOM 188 CZ PHE A 14 13.758 -10.663 7.777 1.00 0.00 C ATOM 0 H PHE A 14 10.588 -8.393 3.832 1.00 0.00 H new ATOM 0 HA PHE A 14 13.502 -8.513 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.056 -10.273 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.490 -11.025 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.750 -10.061 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.791 -10.713 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.677 -10.320 6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.718 -10.972 8.395 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.162 -10.776 8.772 1.00 0.00 H new ATOM 198 N ARG A 15 11.785 -9.093 0.948 1.00 0.00 N ATOM 199 CA ARG A 15 11.962 -9.197 -0.527 1.00 0.00 C ATOM 200 C ARG A 15 12.805 -8.022 -1.021 1.00 0.00 C ATOM 201 O ARG A 15 13.737 -8.187 -1.782 1.00 0.00 O ATOM 202 CB ARG A 15 10.549 -9.129 -1.107 1.00 0.00 C ATOM 203 CG ARG A 15 10.503 -9.892 -2.431 1.00 0.00 C ATOM 204 CD ARG A 15 9.101 -9.784 -3.033 1.00 0.00 C ATOM 205 NE ARG A 15 8.665 -11.192 -3.251 1.00 0.00 N ATOM 206 CZ ARG A 15 7.496 -11.443 -3.777 1.00 0.00 C ATOM 207 NH1 ARG A 15 6.701 -10.461 -4.109 1.00 0.00 N ATOM 208 NH2 ARG A 15 7.118 -12.679 -3.969 1.00 0.00 N ATOM 0 H ARG A 15 10.818 -9.114 1.273 1.00 0.00 H new ATOM 0 HA ARG A 15 12.472 -10.113 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.835 -9.557 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.258 -8.090 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.240 -9.485 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.761 -10.939 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.422 -9.260 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.115 -9.226 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 15 9.281 -11.962 -2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.993 -9.495 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.789 -10.660 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.736 -13.448 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.205 -12.875 -4.380 1.00 0.00 H new ATOM 222 N ILE A 16 12.489 -6.834 -0.580 1.00 0.00 N ATOM 223 CA ILE A 16 13.281 -5.649 -1.012 1.00 0.00 C ATOM 224 C ILE A 16 14.747 -5.848 -0.629 1.00 0.00 C ATOM 225 O ILE A 16 15.644 -5.583 -1.404 1.00 0.00 O ATOM 226 CB ILE A 16 12.681 -4.468 -0.247 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.326 -4.101 -0.857 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.624 -3.267 -0.339 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.549 -3.218 0.120 1.00 0.00 C ATOM 0 H ILE A 16 11.719 -6.634 0.059 1.00 0.00 H new ATOM 0 HA ILE A 16 13.244 -5.490 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 16 12.546 -4.744 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.471 -3.577 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.758 -5.005 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.196 -2.426 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.589 -3.528 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.760 -2.990 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.584 -2.957 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.392 -3.759 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.116 -2.308 0.318 1.00 0.00 H new ATOM 241 N LEU A 17 14.995 -6.323 0.562 1.00 0.00 N ATOM 242 CA LEU A 17 16.400 -6.552 0.995 1.00 0.00 C ATOM 243 C LEU A 17 17.035 -7.645 0.133 1.00 0.00 C ATOM 244 O LEU A 17 18.183 -7.557 -0.253 1.00 0.00 O ATOM 245 CB LEU A 17 16.295 -7.005 2.452 1.00 0.00 C ATOM 246 CG LEU A 17 16.796 -5.890 3.372 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.860 -4.685 3.271 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.820 -6.395 4.816 1.00 0.00 C ATOM 0 H LEU A 17 14.284 -6.562 1.253 1.00 0.00 H new ATOM 0 HA LEU A 17 17.021 -5.662 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.261 -7.253 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.884 -7.909 2.606 1.00 0.00 H new ATOM 0 HG LEU A 17 17.801 -5.595 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.217 -3.891 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.840 -4.325 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.854 -4.979 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.177 -5.602 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.814 -6.689 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.486 -7.254 4.890 1.00 0.00 H new ATOM 260 N ALA A 18 16.292 -8.674 -0.173 1.00 0.00 N ATOM 261 CA ALA A 18 16.846 -9.773 -1.015 1.00 0.00 C ATOM 262 C ALA A 18 16.880 -9.348 -2.486 1.00 0.00 C ATOM 263 O ALA A 18 17.320 -10.086 -3.345 1.00 0.00 O ATOM 264 CB ALA A 18 15.886 -10.947 -0.819 1.00 0.00 C ATOM 0 H ALA A 18 15.325 -8.801 0.124 1.00 0.00 H new ATOM 0 HA ALA A 18 17.867 -10.031 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.227 -11.798 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.860 -11.223 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.886 -10.658 -1.143 1.00 0.00 H new ATOM 270 N SER A 19 16.419 -8.162 -2.783 1.00 0.00 N ATOM 271 CA SER A 19 16.424 -7.686 -4.198 1.00 0.00 C ATOM 272 C SER A 19 15.419 -8.487 -5.032 1.00 0.00 C ATOM 273 O SER A 19 15.783 -9.189 -5.953 1.00 0.00 O ATOM 274 CB SER A 19 17.849 -7.933 -4.696 1.00 0.00 C ATOM 275 OG SER A 19 18.230 -6.878 -5.571 1.00 0.00 O ATOM 0 H SER A 19 16.038 -7.501 -2.106 1.00 0.00 H new ATOM 0 HA SER A 19 16.139 -6.637 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.537 -7.988 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.904 -8.890 -5.215 1.00 0.00 H new ATOM 0 HG SER A 19 19.143 -7.032 -5.891 1.00 0.00 H new ATOM 281 N ASP A 20 14.157 -8.384 -4.719 1.00 0.00 N ATOM 282 CA ASP A 20 13.133 -9.139 -5.496 1.00 0.00 C ATOM 283 C ASP A 20 13.518 -10.619 -5.577 1.00 0.00 C ATOM 284 O ASP A 20 13.690 -11.169 -6.646 1.00 0.00 O ATOM 285 CB ASP A 20 13.143 -8.506 -6.887 1.00 0.00 C ATOM 286 CG ASP A 20 12.850 -7.008 -6.768 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.704 -6.667 -6.523 1.00 0.00 O ATOM 288 OD2 ASP A 20 13.776 -6.229 -6.923 1.00 0.00 O ATOM 0 H ASP A 20 13.790 -7.810 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 20 12.147 -9.091 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.112 -8.661 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.397 -8.984 -7.521 1.00 0.00 H new ATOM 293 N LYS A 21 13.656 -11.267 -4.452 1.00 0.00 N ATOM 294 CA LYS A 21 14.029 -12.709 -4.464 1.00 0.00 C ATOM 295 C LYS A 21 13.346 -13.437 -3.307 1.00 0.00 C ATOM 296 O LYS A 21 13.208 -12.897 -2.226 1.00 0.00 O ATOM 297 CB LYS A 21 15.549 -12.726 -4.282 1.00 0.00 C ATOM 298 CG LYS A 21 16.219 -12.157 -5.534 1.00 0.00 C ATOM 299 CD LYS A 21 17.539 -12.889 -5.787 1.00 0.00 C ATOM 300 CE LYS A 21 18.691 -11.881 -5.785 1.00 0.00 C ATOM 301 NZ LYS A 21 19.802 -12.563 -6.504 1.00 0.00 N ATOM 0 H LYS A 21 13.526 -10.860 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 21 13.722 -13.208 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.828 -12.137 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.893 -13.745 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.559 -12.268 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.402 -11.090 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.701 -13.644 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.500 -13.411 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.406 -10.956 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.982 -11.617 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.629 -11.933 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.056 -13.437 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.498 -12.796 -7.471 1.00 0.00 H new ATOM 315 N PRO A 22 12.944 -14.650 -3.573 1.00 0.00 N ATOM 316 CA PRO A 22 12.275 -15.437 -2.505 1.00 0.00 C ATOM 317 C PRO A 22 13.289 -15.811 -1.420 1.00 0.00 C ATOM 318 O PRO A 22 12.946 -16.382 -0.404 1.00 0.00 O ATOM 319 CB PRO A 22 11.760 -16.688 -3.216 1.00 0.00 C ATOM 320 CG PRO A 22 12.540 -16.770 -4.486 1.00 0.00 C ATOM 321 CD PRO A 22 12.930 -15.366 -4.853 1.00 0.00 C ATOM 0 HA PRO A 22 11.473 -14.886 -2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.910 -17.578 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.691 -16.615 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.424 -17.394 -4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.943 -17.224 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.907 -15.337 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.217 -14.924 -5.549 1.00 0.00 H new ATOM 329 N TYR A 23 14.537 -15.491 -1.631 1.00 0.00 N ATOM 330 CA TYR A 23 15.576 -15.823 -0.614 1.00 0.00 C ATOM 331 C TYR A 23 16.637 -14.721 -0.575 1.00 0.00 C ATOM 332 O TYR A 23 16.758 -13.931 -1.491 1.00 0.00 O ATOM 333 CB TYR A 23 16.188 -17.141 -1.090 1.00 0.00 C ATOM 334 CG TYR A 23 16.764 -16.956 -2.472 1.00 0.00 C ATOM 335 CD1 TYR A 23 17.968 -16.263 -2.641 1.00 0.00 C ATOM 336 CD2 TYR A 23 16.091 -17.472 -3.586 1.00 0.00 C ATOM 337 CE1 TYR A 23 18.501 -16.086 -3.924 1.00 0.00 C ATOM 338 CE2 TYR A 23 16.623 -17.296 -4.869 1.00 0.00 C ATOM 339 CZ TYR A 23 17.828 -16.603 -5.037 1.00 0.00 C ATOM 340 OH TYR A 23 18.352 -16.427 -6.302 1.00 0.00 O ATOM 0 H TYR A 23 14.882 -15.014 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 23 15.164 -15.907 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.967 -17.463 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.429 -17.924 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.486 -15.864 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.161 -18.006 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 23 19.430 -15.551 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.104 -17.694 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 23 17.762 -16.848 -6.962 1.00 0.00 H new ATOM 350 N ILE A 24 17.405 -14.657 0.476 1.00 0.00 N ATOM 351 CA ILE A 24 18.452 -13.600 0.566 1.00 0.00 C ATOM 352 C ILE A 24 19.740 -14.177 1.159 1.00 0.00 C ATOM 353 O ILE A 24 19.717 -15.132 1.910 1.00 0.00 O ATOM 354 CB ILE A 24 17.865 -12.540 1.495 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.875 -11.404 1.675 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.557 -13.167 2.856 1.00 0.00 C ATOM 357 CD1 ILE A 24 18.271 -10.318 2.566 1.00 0.00 C ATOM 0 H ILE A 24 17.354 -15.289 1.275 1.00 0.00 H new ATOM 0 HA ILE A 24 18.708 -13.191 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 24 16.946 -12.146 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.792 -11.787 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 24 19.144 -10.985 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.138 -12.410 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.838 -13.976 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.475 -13.562 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 24 18.991 -9.510 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 24 17.366 -9.928 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.025 -10.741 3.540 1.00 0.00 H new ATOM 369 N LEU A 25 20.863 -13.601 0.829 1.00 0.00 N ATOM 370 CA LEU A 25 22.151 -14.112 1.376 1.00 0.00 C ATOM 371 C LEU A 25 22.468 -13.417 2.701 1.00 0.00 C ATOM 372 O LEU A 25 22.000 -12.327 2.969 1.00 0.00 O ATOM 373 CB LEU A 25 23.199 -13.757 0.321 1.00 0.00 C ATOM 374 CG LEU A 25 22.895 -14.512 -0.974 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.552 -13.512 -2.080 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.123 -15.328 -1.387 1.00 0.00 C ATOM 0 H LEU A 25 20.944 -12.799 0.204 1.00 0.00 H new ATOM 0 HA LEU A 25 22.122 -15.183 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 23.196 -12.683 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.195 -14.016 0.681 1.00 0.00 H new ATOM 0 HG LEU A 25 22.049 -15.181 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.335 -14.050 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.679 -12.930 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 23.397 -12.843 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.908 -15.867 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.968 -14.658 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.368 -16.041 -0.599 1.00 0.00 H new ATOM 388 N ALA A 26 23.256 -14.036 3.534 1.00 0.00 N ATOM 389 CA ALA A 26 23.598 -13.410 4.843 1.00 0.00 C ATOM 390 C ALA A 26 24.415 -12.134 4.623 1.00 0.00 C ATOM 391 O ALA A 26 24.197 -11.129 5.268 1.00 0.00 O ATOM 392 CB ALA A 26 24.427 -14.460 5.583 1.00 0.00 C ATOM 0 H ALA A 26 23.679 -14.949 3.366 1.00 0.00 H new ATOM 0 HA ALA A 26 22.710 -13.123 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.718 -14.072 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.834 -15.365 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.321 -14.692 5.004 1.00 0.00 H new ATOM 398 N GLU A 27 25.353 -12.167 3.716 1.00 0.00 N ATOM 399 CA GLU A 27 26.177 -10.953 3.460 1.00 0.00 C ATOM 400 C GLU A 27 25.276 -9.771 3.100 1.00 0.00 C ATOM 401 O GLU A 27 25.490 -8.659 3.540 1.00 0.00 O ATOM 402 CB GLU A 27 27.072 -11.328 2.283 1.00 0.00 C ATOM 403 CG GLU A 27 28.026 -10.172 1.973 1.00 0.00 C ATOM 404 CD GLU A 27 28.712 -10.426 0.629 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.011 -10.726 -0.323 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.925 -10.316 0.575 1.00 0.00 O ATOM 0 H GLU A 27 25.583 -12.979 3.143 1.00 0.00 H new ATOM 0 HA GLU A 27 26.757 -10.652 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.640 -12.228 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.463 -11.554 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.477 -9.231 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.772 -10.079 2.763 1.00 0.00 H new ATOM 413 N GLU A 28 24.259 -10.004 2.317 1.00 0.00 N ATOM 414 CA GLU A 28 23.340 -8.890 1.950 1.00 0.00 C ATOM 415 C GLU A 28 22.567 -8.461 3.194 1.00 0.00 C ATOM 416 O GLU A 28 22.375 -7.289 3.451 1.00 0.00 O ATOM 417 CB GLU A 28 22.395 -9.474 0.900 1.00 0.00 C ATOM 418 CG GLU A 28 22.540 -8.695 -0.409 1.00 0.00 C ATOM 419 CD GLU A 28 21.539 -9.230 -1.434 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.419 -9.517 -1.044 1.00 0.00 O ATOM 421 OE2 GLU A 28 21.908 -9.342 -2.592 1.00 0.00 O ATOM 0 H GLU A 28 24.025 -10.913 1.917 1.00 0.00 H new ATOM 0 HA GLU A 28 23.864 -8.015 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.623 -10.527 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.365 -9.423 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.365 -7.633 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.556 -8.792 -0.792 1.00 0.00 H new ATOM 428 N LEU A 29 22.141 -9.411 3.978 1.00 0.00 N ATOM 429 CA LEU A 29 21.399 -9.086 5.222 1.00 0.00 C ATOM 430 C LEU A 29 22.345 -8.381 6.195 1.00 0.00 C ATOM 431 O LEU A 29 21.972 -7.455 6.887 1.00 0.00 O ATOM 432 CB LEU A 29 20.956 -10.456 5.756 1.00 0.00 C ATOM 433 CG LEU A 29 20.866 -10.437 7.283 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.721 -9.523 7.722 1.00 0.00 C ATOM 435 CD2 LEU A 29 20.604 -11.857 7.793 1.00 0.00 C ATOM 0 H LEU A 29 22.278 -10.407 3.806 1.00 0.00 H new ATOM 0 HA LEU A 29 20.549 -8.420 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.987 -10.721 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.663 -11.222 5.438 1.00 0.00 H new ATOM 0 HG LEU A 29 21.804 -10.064 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.661 -9.513 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.903 -8.512 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.782 -9.893 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.539 -11.847 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.666 -12.226 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.420 -12.511 7.484 1.00 0.00 H new ATOM 447 N ARG A 30 23.571 -8.821 6.247 1.00 0.00 N ATOM 448 CA ARG A 30 24.555 -8.189 7.171 1.00 0.00 C ATOM 449 C ARG A 30 24.861 -6.752 6.732 1.00 0.00 C ATOM 450 O ARG A 30 25.095 -5.882 7.546 1.00 0.00 O ATOM 451 CB ARG A 30 25.806 -9.060 7.063 1.00 0.00 C ATOM 452 CG ARG A 30 26.626 -8.945 8.349 1.00 0.00 C ATOM 453 CD ARG A 30 27.810 -9.913 8.288 1.00 0.00 C ATOM 454 NE ARG A 30 27.268 -11.210 8.783 1.00 0.00 N ATOM 455 CZ ARG A 30 27.857 -12.334 8.467 1.00 0.00 C ATOM 456 NH1 ARG A 30 28.928 -12.329 7.721 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.372 -13.465 8.903 1.00 0.00 N ATOM 0 H ARG A 30 23.935 -9.593 5.688 1.00 0.00 H new ATOM 0 HA ARG A 30 24.181 -8.130 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 25.524 -10.099 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.406 -8.747 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.984 -7.923 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.001 -9.172 9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 30 28.193 -10.006 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.636 -9.567 8.909 1.00 0.00 H new ATOM 0 HE ARG A 30 26.434 -11.221 9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.309 -11.446 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 30 29.384 -13.208 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 30 26.536 -13.470 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.829 -14.344 8.659 1.00 0.00 H new ATOM 471 N ARG A 31 24.874 -6.501 5.451 1.00 0.00 N ATOM 472 CA ARG A 31 25.179 -5.124 4.962 1.00 0.00 C ATOM 473 C ARG A 31 23.897 -4.299 4.806 1.00 0.00 C ATOM 474 O ARG A 31 23.932 -3.085 4.766 1.00 0.00 O ATOM 475 CB ARG A 31 25.843 -5.331 3.601 1.00 0.00 C ATOM 476 CG ARG A 31 27.228 -4.681 3.602 1.00 0.00 C ATOM 477 CD ARG A 31 28.275 -5.714 3.180 1.00 0.00 C ATOM 478 NE ARG A 31 28.894 -5.153 1.947 1.00 0.00 N ATOM 479 CZ ARG A 31 29.615 -4.066 2.011 1.00 0.00 C ATOM 480 NH1 ARG A 31 29.796 -3.463 3.156 1.00 0.00 N ATOM 481 NH2 ARG A 31 30.158 -3.581 0.927 1.00 0.00 N ATOM 0 H ARG A 31 24.687 -7.189 4.721 1.00 0.00 H new ATOM 0 HA ARG A 31 25.815 -4.579 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.930 -6.396 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.227 -4.896 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.244 -3.831 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.460 -4.296 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.019 -5.864 3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 31 27.817 -6.684 2.986 1.00 0.00 H new ATOM 0 HE ARG A 31 28.754 -5.619 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.374 -3.841 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.360 -2.614 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 31 30.019 -4.051 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 31 30.721 -2.732 0.975 1.00 0.00 H new ATOM 495 N GLU A 32 22.766 -4.943 4.704 1.00 0.00 N ATOM 496 CA GLU A 32 21.493 -4.181 4.538 1.00 0.00 C ATOM 497 C GLU A 32 20.812 -3.959 5.890 1.00 0.00 C ATOM 498 O GLU A 32 19.972 -3.093 6.035 1.00 0.00 O ATOM 499 CB GLU A 32 20.623 -5.058 3.636 1.00 0.00 C ATOM 500 CG GLU A 32 21.073 -4.892 2.183 1.00 0.00 C ATOM 501 CD GLU A 32 20.226 -5.788 1.278 1.00 0.00 C ATOM 502 OE1 GLU A 32 19.377 -6.491 1.800 1.00 0.00 O ATOM 503 OE2 GLU A 32 20.442 -5.755 0.077 1.00 0.00 O ATOM 0 H GLU A 32 22.667 -5.958 4.728 1.00 0.00 H new ATOM 0 HA GLU A 32 21.663 -3.192 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.704 -6.102 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.575 -4.778 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.973 -3.851 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 32 22.127 -5.153 2.086 1.00 0.00 H new ATOM 510 N LEU A 33 21.160 -4.732 6.881 1.00 0.00 N ATOM 511 CA LEU A 33 20.524 -4.558 8.216 1.00 0.00 C ATOM 512 C LEU A 33 21.586 -4.249 9.274 1.00 0.00 C ATOM 513 O LEU A 33 22.759 -4.490 9.066 1.00 0.00 O ATOM 514 CB LEU A 33 19.858 -5.901 8.502 1.00 0.00 C ATOM 515 CG LEU A 33 18.361 -5.807 8.199 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.732 -7.198 8.298 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.693 -4.874 9.210 1.00 0.00 C ATOM 0 H LEU A 33 21.856 -5.475 6.824 1.00 0.00 H new ATOM 0 HA LEU A 33 19.813 -3.732 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.314 -6.681 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.011 -6.180 9.545 1.00 0.00 H new ATOM 0 HG LEU A 33 18.219 -5.414 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.666 -7.131 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.207 -7.864 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.875 -7.591 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.627 -4.807 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.835 -5.267 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.140 -3.882 9.141 1.00 0.00 H new ATOM 529 N PRO A 34 21.133 -3.725 10.380 1.00 0.00 N ATOM 530 CA PRO A 34 22.090 -3.392 11.468 1.00 0.00 C ATOM 531 C PRO A 34 22.684 -4.673 12.062 1.00 0.00 C ATOM 532 O PRO A 34 22.036 -5.700 12.098 1.00 0.00 O ATOM 533 CB PRO A 34 21.245 -2.654 12.505 1.00 0.00 C ATOM 534 CG PRO A 34 20.057 -2.152 11.754 1.00 0.00 C ATOM 535 CD PRO A 34 19.823 -3.101 10.612 1.00 0.00 C ATOM 0 HA PRO A 34 22.931 -2.792 11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.947 -3.319 13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.802 -1.833 12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.182 -2.107 12.403 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.233 -1.141 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.067 -3.845 10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.471 -2.575 9.725 1.00 0.00 H new ATOM 543 N PRO A 35 23.904 -4.563 12.505 1.00 0.00 N ATOM 544 CA PRO A 35 24.574 -5.752 13.098 1.00 0.00 C ATOM 545 C PRO A 35 23.602 -6.523 13.996 1.00 0.00 C ATOM 546 O PRO A 35 23.578 -7.738 14.001 1.00 0.00 O ATOM 547 CB PRO A 35 25.726 -5.176 13.924 1.00 0.00 C ATOM 548 CG PRO A 35 25.861 -3.751 13.493 1.00 0.00 C ATOM 549 CD PRO A 35 24.519 -3.319 12.975 1.00 0.00 C ATOM 0 HA PRO A 35 24.920 -6.453 12.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.515 -5.244 14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 35 26.649 -5.728 13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.172 -3.123 14.328 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.623 -3.653 12.719 1.00 0.00 H new ATOM 0 HD2 PRO A 35 23.922 -2.849 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.617 -2.593 12.168 1.00 0.00 H new ATOM 557 N ASP A 36 22.804 -5.828 14.758 1.00 0.00 N ATOM 558 CA ASP A 36 21.840 -6.526 15.659 1.00 0.00 C ATOM 559 C ASP A 36 20.827 -7.328 14.837 1.00 0.00 C ATOM 560 O ASP A 36 20.559 -8.479 15.118 1.00 0.00 O ATOM 561 CB ASP A 36 21.139 -5.407 16.430 1.00 0.00 C ATOM 562 CG ASP A 36 21.961 -5.045 17.666 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.074 -5.533 17.777 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.466 -4.285 18.482 1.00 0.00 O ATOM 0 H ASP A 36 22.776 -4.809 14.797 1.00 0.00 H new ATOM 0 HA ASP A 36 22.336 -7.233 16.324 1.00 0.00 H new ATOM 0 HB2 ASP A 36 21.018 -4.532 15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.140 -5.726 16.726 1.00 0.00 H new ATOM 569 N GLN A 37 20.261 -6.730 13.824 1.00 0.00 N ATOM 570 CA GLN A 37 19.268 -7.464 12.989 1.00 0.00 C ATOM 571 C GLN A 37 19.965 -8.557 12.174 1.00 0.00 C ATOM 572 O GLN A 37 19.461 -9.653 12.028 1.00 0.00 O ATOM 573 CB GLN A 37 18.666 -6.405 12.067 1.00 0.00 C ATOM 574 CG GLN A 37 17.490 -5.725 12.769 1.00 0.00 C ATOM 575 CD GLN A 37 18.000 -4.954 13.988 1.00 0.00 C ATOM 576 OE1 GLN A 37 19.112 -4.466 13.991 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.229 -4.825 15.033 1.00 0.00 N ATOM 0 H GLN A 37 20.443 -5.768 13.539 1.00 0.00 H new ATOM 0 HA GLN A 37 18.506 -7.958 13.592 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.422 -5.666 11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.331 -6.865 11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.985 -5.046 12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.757 -6.470 13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.295 -5.235 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.561 -4.315 15.851 1.00 0.00 H new ATOM 586 N ALA A 38 21.119 -8.265 11.640 1.00 0.00 N ATOM 587 CA ALA A 38 21.847 -9.287 10.833 1.00 0.00 C ATOM 588 C ALA A 38 22.127 -10.532 11.680 1.00 0.00 C ATOM 589 O ALA A 38 21.886 -11.647 11.259 1.00 0.00 O ATOM 590 CB ALA A 38 23.156 -8.609 10.426 1.00 0.00 C ATOM 0 H ALA A 38 21.590 -7.364 11.727 1.00 0.00 H new ATOM 0 HA ALA A 38 21.271 -9.617 9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.752 -9.298 9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.937 -7.716 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.714 -8.329 11.320 1.00 0.00 H new ATOM 596 N GLN A 39 22.634 -10.351 12.868 1.00 0.00 N ATOM 597 CA GLN A 39 22.930 -11.527 13.738 1.00 0.00 C ATOM 598 C GLN A 39 21.645 -12.298 14.047 1.00 0.00 C ATOM 599 O GLN A 39 21.587 -13.504 13.912 1.00 0.00 O ATOM 600 CB GLN A 39 23.519 -10.933 15.019 1.00 0.00 C ATOM 601 CG GLN A 39 24.105 -12.054 15.880 1.00 0.00 C ATOM 602 CD GLN A 39 25.253 -12.729 15.128 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.886 -12.120 14.288 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.551 -13.971 15.396 1.00 0.00 N ATOM 0 H GLN A 39 22.856 -9.442 13.275 1.00 0.00 H new ATOM 0 HA GLN A 39 23.613 -12.230 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.294 -10.207 14.773 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.747 -10.400 15.574 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.464 -11.650 16.826 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.333 -12.785 16.118 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.020 -14.482 16.101 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.315 -14.430 14.901 1.00 0.00 H new ATOM 613 N TYR A 40 20.614 -11.613 14.460 1.00 0.00 N ATOM 614 CA TYR A 40 19.335 -12.312 14.776 1.00 0.00 C ATOM 615 C TYR A 40 18.730 -12.910 13.503 1.00 0.00 C ATOM 616 O TYR A 40 18.244 -14.023 13.500 1.00 0.00 O ATOM 617 CB TYR A 40 18.422 -11.227 15.349 1.00 0.00 C ATOM 618 CG TYR A 40 17.839 -11.699 16.659 1.00 0.00 C ATOM 619 CD1 TYR A 40 18.554 -11.518 17.848 1.00 0.00 C ATOM 620 CD2 TYR A 40 16.583 -12.316 16.685 1.00 0.00 C ATOM 621 CE1 TYR A 40 18.014 -11.954 19.065 1.00 0.00 C ATOM 622 CE2 TYR A 40 16.042 -12.754 17.901 1.00 0.00 C ATOM 623 CZ TYR A 40 16.758 -12.573 19.090 1.00 0.00 C ATOM 624 OH TYR A 40 16.226 -13.003 20.288 1.00 0.00 O ATOM 0 H TYR A 40 20.601 -10.602 14.592 1.00 0.00 H new ATOM 0 HA TYR A 40 19.476 -13.136 15.476 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.985 -10.306 15.500 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.622 -11.000 14.644 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.523 -11.042 17.828 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.031 -12.455 15.767 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.566 -11.813 19.983 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.073 -13.231 17.921 1.00 0.00 H new ATOM 0 HH TYR A 40 15.348 -13.409 20.129 1.00 0.00 H new ATOM 634 N CYS A 41 18.759 -12.180 12.422 1.00 0.00 N ATOM 635 CA CYS A 41 18.187 -12.710 11.150 1.00 0.00 C ATOM 636 C CYS A 41 18.974 -13.940 10.690 1.00 0.00 C ATOM 637 O CYS A 41 18.408 -14.961 10.354 1.00 0.00 O ATOM 638 CB CYS A 41 18.337 -11.571 10.143 1.00 0.00 C ATOM 639 SG CYS A 41 16.968 -10.403 10.344 1.00 0.00 S ATOM 0 H CYS A 41 19.153 -11.241 12.363 1.00 0.00 H new ATOM 0 HA CYS A 41 17.148 -13.020 11.262 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.289 -11.061 10.293 1.00 0.00 H new ATOM 0 HB3 CYS A 41 18.345 -11.968 9.128 1.00 0.00 H new ATOM 0 HG CYS A 41 17.323 -9.454 11.159 1.00 0.00 H new ATOM 645 N ILE A 42 20.276 -13.850 10.673 1.00 0.00 N ATOM 646 CA ILE A 42 21.098 -15.013 10.235 1.00 0.00 C ATOM 647 C ILE A 42 20.855 -16.209 11.164 1.00 0.00 C ATOM 648 O ILE A 42 21.096 -17.345 10.804 1.00 0.00 O ATOM 649 CB ILE A 42 22.549 -14.519 10.323 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.924 -13.828 9.010 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.500 -15.697 10.562 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.525 -12.453 9.308 1.00 0.00 C ATOM 0 H ILE A 42 20.806 -13.021 10.944 1.00 0.00 H new ATOM 0 HA ILE A 42 20.851 -15.352 9.229 1.00 0.00 H new ATOM 0 HB ILE A 42 22.636 -13.820 11.154 1.00 0.00 H new ATOM 0 HG12 ILE A 42 23.640 -14.437 8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 42 22.042 -13.722 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.525 -15.331 10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.237 -16.193 11.496 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.416 -16.406 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.792 -11.962 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 42 22.795 -11.845 9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.417 -12.571 9.923 1.00 0.00 H new ATOM 664 N LYS A 43 20.377 -15.965 12.353 1.00 0.00 N ATOM 665 CA LYS A 43 20.118 -17.093 13.294 1.00 0.00 C ATOM 666 C LYS A 43 18.772 -17.748 12.974 1.00 0.00 C ATOM 667 O LYS A 43 18.631 -18.953 13.018 1.00 0.00 O ATOM 668 CB LYS A 43 20.091 -16.454 14.683 1.00 0.00 C ATOM 669 CG LYS A 43 20.459 -17.504 15.734 1.00 0.00 C ATOM 670 CD LYS A 43 21.466 -16.909 16.721 1.00 0.00 C ATOM 671 CE LYS A 43 21.658 -17.871 17.896 1.00 0.00 C ATOM 672 NZ LYS A 43 22.741 -17.263 18.718 1.00 0.00 N ATOM 0 H LYS A 43 20.155 -15.037 12.714 1.00 0.00 H new ATOM 0 HA LYS A 43 20.875 -17.874 13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.792 -15.620 14.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.100 -16.049 14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.565 -17.832 16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.884 -18.384 15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.419 -16.732 16.222 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.111 -15.944 17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.739 -17.979 18.472 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.937 -18.866 17.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 22.930 -17.866 19.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.605 -17.179 18.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 22.445 -16.319 19.039 1.00 0.00 H new ATOM 686 N ARG A 44 17.782 -16.961 12.648 1.00 0.00 N ATOM 687 CA ARG A 44 16.447 -17.540 12.321 1.00 0.00 C ATOM 688 C ARG A 44 16.465 -18.131 10.908 1.00 0.00 C ATOM 689 O ARG A 44 16.349 -19.327 10.732 1.00 0.00 O ATOM 690 CB ARG A 44 15.476 -16.362 12.401 1.00 0.00 C ATOM 691 CG ARG A 44 15.132 -16.079 13.865 1.00 0.00 C ATOM 692 CD ARG A 44 14.626 -17.361 14.531 1.00 0.00 C ATOM 693 NE ARG A 44 13.983 -16.910 15.797 1.00 0.00 N ATOM 694 CZ ARG A 44 14.718 -16.522 16.804 1.00 0.00 C ATOM 695 NH1 ARG A 44 16.021 -16.526 16.707 1.00 0.00 N ATOM 696 NH2 ARG A 44 14.149 -16.128 17.910 1.00 0.00 N ATOM 0 H ARG A 44 17.840 -15.944 12.594 1.00 0.00 H new ATOM 0 HA ARG A 44 16.164 -18.345 12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.922 -15.478 11.944 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.569 -16.587 11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.012 -15.707 14.390 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.371 -15.301 13.926 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.915 -17.884 13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.445 -18.053 14.729 1.00 0.00 H new ATOM 0 HE ARG A 44 12.966 -16.904 15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.467 -16.833 15.843 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.592 -16.222 17.496 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.132 -16.124 17.987 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.721 -15.825 18.698 1.00 0.00 H new ATOM 710 N MET A 45 16.614 -17.294 9.908 1.00 0.00 N ATOM 711 CA MET A 45 16.652 -17.774 8.494 1.00 0.00 C ATOM 712 C MET A 45 17.227 -19.191 8.398 1.00 0.00 C ATOM 713 O MET A 45 18.384 -19.414 8.690 1.00 0.00 O ATOM 714 CB MET A 45 17.580 -16.786 7.795 1.00 0.00 C ATOM 715 CG MET A 45 16.754 -15.718 7.084 1.00 0.00 C ATOM 716 SD MET A 45 16.410 -14.363 8.231 1.00 0.00 S ATOM 717 CE MET A 45 16.140 -13.086 6.980 1.00 0.00 C ATOM 0 H MET A 45 16.712 -16.285 10.016 1.00 0.00 H new ATOM 0 HA MET A 45 15.657 -17.820 8.052 1.00 0.00 H new ATOM 0 HB2 MET A 45 18.245 -16.320 8.522 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.210 -17.310 7.076 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.294 -15.344 6.214 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.820 -16.147 6.720 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.723 -12.201 7.232 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.452 -13.460 6.005 1.00 0.00 H new ATOM 0 HE3 MET A 45 15.082 -12.826 6.948 1.00 0.00 H new ATOM 727 N PRO A 46 16.391 -20.102 7.981 1.00 0.00 N ATOM 728 CA PRO A 46 16.858 -21.507 7.847 1.00 0.00 C ATOM 729 C PRO A 46 17.320 -21.769 6.410 1.00 0.00 C ATOM 730 O PRO A 46 17.642 -20.854 5.677 1.00 0.00 O ATOM 731 CB PRO A 46 15.631 -22.355 8.181 1.00 0.00 C ATOM 732 CG PRO A 46 14.464 -21.435 8.041 1.00 0.00 C ATOM 733 CD PRO A 46 14.963 -20.044 8.312 1.00 0.00 C ATOM 0 HA PRO A 46 17.702 -21.734 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.545 -23.205 7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.695 -22.758 9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.038 -21.503 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.675 -21.705 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.442 -19.308 7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.807 -19.761 9.353 1.00 0.00 H new ATOM 859 N ALA A 57 22.213 -19.291 0.366 1.00 0.00 N ATOM 860 CA ALA A 57 20.829 -18.751 0.228 1.00 0.00 C ATOM 861 C ALA A 57 20.012 -19.067 1.484 1.00 0.00 C ATOM 862 O ALA A 57 19.808 -20.212 1.833 1.00 0.00 O ATOM 863 CB ALA A 57 20.243 -19.463 -0.990 1.00 0.00 C ATOM 0 HA ALA A 57 20.818 -17.668 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.223 -19.118 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.850 -19.241 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.238 -20.539 -0.815 1.00 0.00 H new ATOM 869 N LEU A 58 19.544 -18.056 2.164 1.00 0.00 N ATOM 870 CA LEU A 58 18.738 -18.292 3.399 1.00 0.00 C ATOM 871 C LEU A 58 17.295 -17.828 3.180 1.00 0.00 C ATOM 872 O LEU A 58 17.015 -17.048 2.292 1.00 0.00 O ATOM 873 CB LEU A 58 19.415 -17.445 4.477 1.00 0.00 C ATOM 874 CG LEU A 58 20.794 -18.023 4.803 1.00 0.00 C ATOM 875 CD1 LEU A 58 20.678 -19.530 5.037 1.00 0.00 C ATOM 876 CD2 LEU A 58 21.747 -17.760 3.634 1.00 0.00 C ATOM 0 H LEU A 58 19.684 -17.076 1.919 1.00 0.00 H new ATOM 0 HA LEU A 58 18.696 -19.346 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.514 -16.415 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.798 -17.423 5.376 1.00 0.00 H new ATOM 0 HG LEU A 58 21.182 -17.546 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.661 -19.939 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 58 20.001 -19.718 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.289 -20.009 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.729 -18.172 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.358 -18.235 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.833 -16.686 3.469 1.00 0.00 H new ATOM 888 N ASP A 59 16.372 -18.298 3.980 1.00 0.00 N ATOM 889 CA ASP A 59 14.953 -17.869 3.795 1.00 0.00 C ATOM 890 C ASP A 59 14.505 -16.951 4.933 1.00 0.00 C ATOM 891 O ASP A 59 14.309 -17.385 6.051 1.00 0.00 O ATOM 892 CB ASP A 59 14.133 -19.159 3.829 1.00 0.00 C ATOM 893 CG ASP A 59 12.781 -18.922 3.155 1.00 0.00 C ATOM 894 OD1 ASP A 59 12.022 -18.111 3.661 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.526 -19.558 2.145 1.00 0.00 O ATOM 0 H ASP A 59 16.536 -18.953 4.745 1.00 0.00 H new ATOM 0 HA ASP A 59 14.827 -17.315 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.671 -19.958 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.986 -19.482 4.860 1.00 0.00 H new ATOM 900 N TYR A 60 14.302 -15.695 4.647 1.00 0.00 N ATOM 901 CA TYR A 60 13.827 -14.762 5.701 1.00 0.00 C ATOM 902 C TYR A 60 12.355 -15.061 5.989 1.00 0.00 C ATOM 903 O TYR A 60 11.843 -14.773 7.052 1.00 0.00 O ATOM 904 CB TYR A 60 13.974 -13.368 5.086 1.00 0.00 C ATOM 905 CG TYR A 60 13.125 -13.278 3.841 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.741 -13.098 3.949 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.722 -13.379 2.578 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.954 -13.018 2.794 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.934 -13.297 1.424 1.00 0.00 C ATOM 910 CZ TYR A 60 11.551 -13.117 1.532 1.00 0.00 C ATOM 911 OH TYR A 60 10.775 -13.038 0.393 1.00 0.00 O ATOM 0 H TYR A 60 14.445 -15.276 3.728 1.00 0.00 H new ATOM 0 HA TYR A 60 14.381 -14.850 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.668 -12.607 5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.019 -13.174 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.281 -13.021 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.789 -13.520 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.886 -12.880 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.394 -13.373 0.450 1.00 0.00 H new ATOM 0 HH TYR A 60 11.346 -13.124 -0.399 1.00 0.00 H new ATOM 921 N ALA A 61 11.678 -15.648 5.037 1.00 0.00 N ATOM 922 CA ALA A 61 10.240 -15.983 5.235 1.00 0.00 C ATOM 923 C ALA A 61 10.081 -16.858 6.478 1.00 0.00 C ATOM 924 O ALA A 61 9.166 -16.684 7.257 1.00 0.00 O ATOM 925 CB ALA A 61 9.834 -16.752 3.977 1.00 0.00 C ATOM 0 H ALA A 61 12.062 -15.910 4.129 1.00 0.00 H new ATOM 0 HA ALA A 61 9.620 -15.099 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.784 -17.035 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.982 -16.121 3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.446 -17.649 3.885 1.00 0.00 H new ATOM 931 N ALA A 62 10.972 -17.793 6.677 1.00 0.00 N ATOM 932 CA ALA A 62 10.864 -18.664 7.881 1.00 0.00 C ATOM 933 C ALA A 62 10.844 -17.798 9.141 1.00 0.00 C ATOM 934 O ALA A 62 10.222 -18.127 10.132 1.00 0.00 O ATOM 935 CB ALA A 62 12.110 -19.548 7.853 1.00 0.00 C ATOM 0 H ALA A 62 11.763 -17.989 6.063 1.00 0.00 H new ATOM 0 HA ALA A 62 9.952 -19.261 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.100 -20.218 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.119 -20.135 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.001 -18.922 7.892 1.00 0.00 H new ATOM 941 N PHE A 63 11.524 -16.691 9.100 1.00 0.00 N ATOM 942 CA PHE A 63 11.564 -15.780 10.281 1.00 0.00 C ATOM 943 C PHE A 63 10.177 -15.191 10.553 1.00 0.00 C ATOM 944 O PHE A 63 9.710 -15.173 11.675 1.00 0.00 O ATOM 945 CB PHE A 63 12.541 -14.672 9.883 1.00 0.00 C ATOM 946 CG PHE A 63 12.994 -13.924 11.115 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.055 -13.300 11.947 1.00 0.00 C ATOM 948 CD2 PHE A 63 14.357 -13.855 11.425 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.481 -12.609 13.087 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.782 -13.163 12.565 1.00 0.00 C ATOM 951 CZ PHE A 63 13.844 -12.541 13.396 1.00 0.00 C ATOM 0 H PHE A 63 12.060 -16.372 8.293 1.00 0.00 H new ATOM 0 HA PHE A 63 11.870 -16.298 11.190 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.402 -15.100 9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.062 -13.985 9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.003 -13.352 11.709 1.00 0.00 H new ATOM 0 HD2 PHE A 63 15.081 -14.336 10.784 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.757 -12.128 13.729 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.834 -13.109 12.803 1.00 0.00 H new ATOM 0 HZ PHE A 63 14.172 -12.008 14.276 1.00 0.00 H new ATOM 961 N SER A 64 9.520 -14.696 9.540 1.00 0.00 N ATOM 962 CA SER A 64 8.169 -14.093 9.745 1.00 0.00 C ATOM 963 C SER A 64 7.224 -15.094 10.414 1.00 0.00 C ATOM 964 O SER A 64 6.536 -14.772 11.362 1.00 0.00 O ATOM 965 CB SER A 64 7.673 -13.750 8.342 1.00 0.00 C ATOM 966 OG SER A 64 6.510 -12.938 8.439 1.00 0.00 O ATOM 0 H SER A 64 9.859 -14.682 8.578 1.00 0.00 H new ATOM 0 HA SER A 64 8.209 -13.219 10.395 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.451 -13.226 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.448 -14.663 7.790 1.00 0.00 H new ATOM 0 HG SER A 64 6.321 -12.532 7.567 1.00 0.00 H new ATOM 972 N SER A 65 7.179 -16.303 9.928 1.00 0.00 N ATOM 973 CA SER A 65 6.270 -17.316 10.539 1.00 0.00 C ATOM 974 C SER A 65 6.708 -17.636 11.970 1.00 0.00 C ATOM 975 O SER A 65 5.892 -17.812 12.854 1.00 0.00 O ATOM 976 CB SER A 65 6.400 -18.553 9.652 1.00 0.00 C ATOM 977 OG SER A 65 6.707 -18.149 8.324 1.00 0.00 O ATOM 0 H SER A 65 7.730 -16.634 9.136 1.00 0.00 H new ATOM 0 HA SER A 65 5.242 -16.960 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.182 -19.209 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.471 -19.123 9.665 1.00 0.00 H new ATOM 0 HG SER A 65 6.793 -18.941 7.753 1.00 0.00 H new ATOM 983 N ALA A 66 7.988 -17.719 12.207 1.00 0.00 N ATOM 984 CA ALA A 66 8.473 -18.036 13.582 1.00 0.00 C ATOM 985 C ALA A 66 8.358 -16.808 14.489 1.00 0.00 C ATOM 986 O ALA A 66 8.159 -16.924 15.682 1.00 0.00 O ATOM 987 CB ALA A 66 9.938 -18.434 13.402 1.00 0.00 C ATOM 0 H ALA A 66 8.719 -17.581 11.509 1.00 0.00 H new ATOM 0 HA ALA A 66 7.888 -18.827 14.051 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.369 -18.683 14.372 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.001 -19.300 12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.489 -17.603 12.963 1.00 0.00 H new ATOM 993 N LEU A 67 8.481 -15.632 13.937 1.00 0.00 N ATOM 994 CA LEU A 67 8.379 -14.404 14.771 1.00 0.00 C ATOM 995 C LEU A 67 6.906 -14.102 15.063 1.00 0.00 C ATOM 996 O LEU A 67 6.528 -13.799 16.176 1.00 0.00 O ATOM 997 CB LEU A 67 9.021 -13.313 13.901 1.00 0.00 C ATOM 998 CG LEU A 67 8.285 -11.983 14.068 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.342 -11.546 15.532 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.947 -10.920 13.190 1.00 0.00 C ATOM 0 H LEU A 67 8.648 -15.470 12.944 1.00 0.00 H new ATOM 0 HA LEU A 67 8.871 -14.489 15.740 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.069 -13.191 14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.000 -13.617 12.854 1.00 0.00 H new ATOM 0 HG LEU A 67 7.244 -12.105 13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.817 -10.598 15.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.868 -12.303 16.156 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.382 -11.425 15.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.423 -9.972 13.309 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.988 -10.799 13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.903 -11.231 12.146 1.00 0.00 H new ATOM 1012 N TYR A 68 6.079 -14.185 14.063 1.00 0.00 N ATOM 1013 CA TYR A 68 4.628 -13.907 14.265 1.00 0.00 C ATOM 1014 C TYR A 68 3.861 -15.215 14.481 1.00 0.00 C ATOM 1015 O TYR A 68 2.647 -15.239 14.490 1.00 0.00 O ATOM 1016 CB TYR A 68 4.175 -13.225 12.975 1.00 0.00 C ATOM 1017 CG TYR A 68 4.514 -11.755 13.036 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.023 -10.967 14.083 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.320 -11.181 12.045 1.00 0.00 C ATOM 1020 CE1 TYR A 68 4.338 -9.603 14.140 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.635 -9.818 12.103 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.144 -9.030 13.150 1.00 0.00 C ATOM 1023 OH TYR A 68 5.454 -7.686 13.205 1.00 0.00 O ATOM 0 H TYR A 68 6.343 -14.434 13.110 1.00 0.00 H new ATOM 0 HA TYR A 68 4.444 -13.286 15.142 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.663 -13.686 12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.101 -13.356 12.840 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.401 -11.410 14.847 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.698 -11.789 11.237 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.959 -8.994 14.948 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.257 -9.375 11.340 1.00 0.00 H new ATOM 0 HH TYR A 68 6.023 -7.450 12.443 1.00 0.00 H new ATOM 1105 N LYS B 8 12.751 3.539 -0.260 1.00 0.00 N ATOM 1106 CA LYS B 8 12.020 2.240 -0.196 1.00 0.00 C ATOM 1107 C LYS B 8 12.826 1.220 0.614 1.00 0.00 C ATOM 1108 O LYS B 8 12.370 0.715 1.620 1.00 0.00 O ATOM 1109 CB LYS B 8 11.883 1.784 -1.649 1.00 0.00 C ATOM 1110 CG LYS B 8 10.411 1.492 -1.953 1.00 0.00 C ATOM 1111 CD LYS B 8 10.044 2.078 -3.319 1.00 0.00 C ATOM 1112 CE LYS B 8 10.766 1.297 -4.419 1.00 0.00 C ATOM 1113 NZ LYS B 8 10.177 1.791 -5.695 1.00 0.00 N ATOM 0 HA LYS B 8 11.049 2.338 0.290 1.00 0.00 H new ATOM 0 HB2 LYS B 8 12.259 2.556 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.485 0.892 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.234 0.416 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.777 1.923 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS B 8 8.966 2.028 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.323 3.131 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.841 1.473 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS B 8 10.615 0.224 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 10.623 1.300 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 9.154 1.604 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.342 2.814 -5.780 1.00 0.00 H new ATOM 1127 N LYS B 9 14.021 0.916 0.187 1.00 0.00 N ATOM 1128 CA LYS B 9 14.850 -0.068 0.938 1.00 0.00 C ATOM 1129 C LYS B 9 15.045 0.407 2.380 1.00 0.00 C ATOM 1130 O LYS B 9 14.824 -0.328 3.322 1.00 0.00 O ATOM 1131 CB LYS B 9 16.188 -0.112 0.199 1.00 0.00 C ATOM 1132 CG LYS B 9 16.667 -1.561 0.096 1.00 0.00 C ATOM 1133 CD LYS B 9 18.193 -1.588 -0.008 1.00 0.00 C ATOM 1134 CE LYS B 9 18.603 -1.589 -1.483 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.084 -1.439 -1.470 1.00 0.00 N ATOM 0 H LYS B 9 14.458 1.306 -0.648 1.00 0.00 H new ATOM 0 HA LYS B 9 14.384 -1.052 0.985 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.080 0.318 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.927 0.490 0.727 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.341 -2.126 0.970 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.224 -2.040 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.618 -0.721 0.498 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.587 -2.474 0.491 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.304 -2.514 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.128 -0.772 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.441 -1.431 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.338 -0.546 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.509 -2.235 -0.953 1.00 0.00 H new ATOM 1149 N ALA B 10 15.451 1.634 2.561 1.00 0.00 N ATOM 1150 CA ALA B 10 15.651 2.154 3.944 1.00 0.00 C ATOM 1151 C ALA B 10 14.366 1.971 4.755 1.00 0.00 C ATOM 1152 O ALA B 10 14.397 1.645 5.924 1.00 0.00 O ATOM 1153 CB ALA B 10 15.969 3.640 3.769 1.00 0.00 C ATOM 0 H ALA B 10 15.653 2.298 1.813 1.00 0.00 H new ATOM 0 HA ALA B 10 16.446 1.632 4.476 1.00 0.00 H new ATOM 0 HB1 ALA B 10 16.130 4.095 4.746 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.869 3.751 3.165 1.00 0.00 H new ATOM 0 HB3 ALA B 10 15.135 4.134 3.271 1.00 0.00 H new ATOM 1159 N GLU B 11 13.235 2.174 4.135 1.00 0.00 N ATOM 1160 CA GLU B 11 11.944 2.007 4.861 1.00 0.00 C ATOM 1161 C GLU B 11 11.730 0.531 5.210 1.00 0.00 C ATOM 1162 O GLU B 11 11.285 0.196 6.289 1.00 0.00 O ATOM 1163 CB GLU B 11 10.874 2.488 3.879 1.00 0.00 C ATOM 1164 CG GLU B 11 9.491 2.354 4.519 1.00 0.00 C ATOM 1165 CD GLU B 11 8.444 2.122 3.428 1.00 0.00 C ATOM 1166 OE1 GLU B 11 8.585 1.157 2.694 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.520 2.914 3.343 1.00 0.00 O ATOM 0 H GLU B 11 13.150 2.448 3.156 1.00 0.00 H new ATOM 0 HA GLU B 11 11.916 2.565 5.797 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.059 3.526 3.604 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.919 1.902 2.961 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.485 1.525 5.226 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.251 3.255 5.083 1.00 0.00 H new ATOM 1174 N ALA B 12 12.048 -0.352 4.304 1.00 0.00 N ATOM 1175 CA ALA B 12 11.870 -1.805 4.583 1.00 0.00 C ATOM 1176 C ALA B 12 12.797 -2.234 5.722 1.00 0.00 C ATOM 1177 O ALA B 12 12.441 -3.039 6.559 1.00 0.00 O ATOM 1178 CB ALA B 12 12.253 -2.510 3.281 1.00 0.00 C ATOM 0 H ALA B 12 12.424 -0.130 3.382 1.00 0.00 H new ATOM 0 HA ALA B 12 10.853 -2.049 4.890 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.148 -3.588 3.406 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.598 -2.172 2.478 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.287 -2.273 3.030 1.00 0.00 H new ATOM 1184 N VAL B 13 13.985 -1.696 5.762 1.00 0.00 N ATOM 1185 CA VAL B 13 14.935 -2.066 6.849 1.00 0.00 C ATOM 1186 C VAL B 13 14.345 -1.689 8.211 1.00 0.00 C ATOM 1187 O VAL B 13 14.442 -2.432 9.168 1.00 0.00 O ATOM 1188 CB VAL B 13 16.197 -1.251 6.565 1.00 0.00 C ATOM 1189 CG1 VAL B 13 17.281 -1.617 7.580 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.699 -1.561 5.152 1.00 0.00 C ATOM 0 H VAL B 13 14.339 -1.016 5.089 1.00 0.00 H new ATOM 0 HA VAL B 13 15.140 -3.136 6.876 1.00 0.00 H new ATOM 0 HB VAL B 13 15.967 -0.189 6.645 1.00 0.00 H new ATOM 0 HG11 VAL B 13 18.181 -1.036 7.377 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.926 -1.397 8.587 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.510 -2.680 7.500 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.599 -0.980 4.950 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.928 -2.624 5.072 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.928 -1.300 4.427 1.00 0.00 H new ATOM 1200 N ALA B 14 13.730 -0.541 8.304 1.00 0.00 N ATOM 1201 CA ALA B 14 13.129 -0.118 9.603 1.00 0.00 C ATOM 1202 C ALA B 14 12.020 -1.090 10.008 1.00 0.00 C ATOM 1203 O ALA B 14 11.910 -1.482 11.152 1.00 0.00 O ATOM 1204 CB ALA B 14 12.553 1.274 9.339 1.00 0.00 C ATOM 0 H ALA B 14 13.617 0.122 7.537 1.00 0.00 H new ATOM 0 HA ALA B 14 13.857 -0.109 10.414 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.091 1.656 10.250 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.353 1.946 9.029 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.803 1.214 8.550 1.00 0.00 H new ATOM 1210 N THR B 15 11.195 -1.484 9.075 1.00 0.00 N ATOM 1211 CA THR B 15 10.094 -2.433 9.404 1.00 0.00 C ATOM 1212 C THR B 15 10.672 -3.754 9.917 1.00 0.00 C ATOM 1213 O THR B 15 10.192 -4.320 10.880 1.00 0.00 O ATOM 1214 CB THR B 15 9.351 -2.647 8.084 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.808 -1.411 7.642 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.223 -3.660 8.289 1.00 0.00 C ATOM 0 H THR B 15 11.237 -1.189 8.099 1.00 0.00 H new ATOM 0 HA THR B 15 9.436 -2.051 10.185 1.00 0.00 H new ATOM 0 HB THR B 15 10.044 -3.027 7.334 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.502 -0.896 7.180 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.695 -3.811 7.348 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.642 -4.608 8.626 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.528 -3.283 9.039 1.00 0.00 H new ATOM 1224 N VAL B 16 11.701 -4.251 9.284 1.00 0.00 N ATOM 1225 CA VAL B 16 12.309 -5.534 9.740 1.00 0.00 C ATOM 1226 C VAL B 16 12.912 -5.362 11.137 1.00 0.00 C ATOM 1227 O VAL B 16 12.791 -6.220 11.988 1.00 0.00 O ATOM 1228 CB VAL B 16 13.404 -5.842 8.719 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.156 -7.105 9.140 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.770 -6.062 7.343 1.00 0.00 C ATOM 0 H VAL B 16 12.146 -3.824 8.472 1.00 0.00 H new ATOM 0 HA VAL B 16 11.576 -6.338 9.804 1.00 0.00 H new ATOM 0 HB VAL B 16 14.100 -5.005 8.670 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.937 -7.324 8.411 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.608 -6.950 10.120 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.461 -7.943 9.189 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.550 -6.282 6.614 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.074 -6.899 7.393 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.234 -5.162 7.041 1.00 0.00 H new ATOM 1240 N VAL B 17 13.562 -4.256 11.377 1.00 0.00 N ATOM 1241 CA VAL B 17 14.175 -4.024 12.716 1.00 0.00 C ATOM 1242 C VAL B 17 13.097 -4.049 13.805 1.00 0.00 C ATOM 1243 O VAL B 17 13.256 -4.673 14.834 1.00 0.00 O ATOM 1244 CB VAL B 17 14.814 -2.638 12.623 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.372 -2.240 13.991 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.950 -2.668 11.600 1.00 0.00 C ATOM 0 H VAL B 17 13.695 -3.502 10.703 1.00 0.00 H new ATOM 0 HA VAL B 17 14.904 -4.792 12.976 1.00 0.00 H new ATOM 0 HB VAL B 17 14.063 -1.912 12.312 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.828 -1.252 13.925 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.563 -2.218 14.722 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.123 -2.966 14.303 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.406 -1.680 11.533 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.701 -3.394 11.912 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.554 -2.951 10.625 1.00 0.00 H new ATOM 1256 N ALA B 18 12.003 -3.372 13.586 1.00 0.00 N ATOM 1257 CA ALA B 18 10.918 -3.358 14.611 1.00 0.00 C ATOM 1258 C ALA B 18 10.342 -4.765 14.793 1.00 0.00 C ATOM 1259 O ALA B 18 10.039 -5.185 15.892 1.00 0.00 O ATOM 1260 CB ALA B 18 9.856 -2.412 14.051 1.00 0.00 C ATOM 0 H ALA B 18 11.813 -2.829 12.744 1.00 0.00 H new ATOM 0 HA ALA B 18 11.278 -3.035 15.588 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.022 -2.348 14.749 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.289 -1.422 13.910 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.499 -2.791 13.093 1.00 0.00 H new ATOM 1266 N ALA B 19 10.185 -5.494 13.723 1.00 0.00 N ATOM 1267 CA ALA B 19 9.625 -6.873 13.835 1.00 0.00 C ATOM 1268 C ALA B 19 10.572 -7.770 14.636 1.00 0.00 C ATOM 1269 O ALA B 19 10.148 -8.560 15.455 1.00 0.00 O ATOM 1270 CB ALA B 19 9.508 -7.368 12.393 1.00 0.00 C ATOM 0 H ALA B 19 10.420 -5.196 12.776 1.00 0.00 H new ATOM 0 HA ALA B 19 8.666 -6.888 14.352 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.102 -8.380 12.387 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.845 -6.708 11.834 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.494 -7.370 11.928 1.00 0.00 H new ATOM 1276 N VAL B 20 11.852 -7.657 14.404 1.00 0.00 N ATOM 1277 CA VAL B 20 12.823 -8.507 15.150 1.00 0.00 C ATOM 1278 C VAL B 20 12.835 -8.126 16.634 1.00 0.00 C ATOM 1279 O VAL B 20 12.879 -8.975 17.502 1.00 0.00 O ATOM 1280 CB VAL B 20 14.179 -8.207 14.512 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.259 -9.057 15.182 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.122 -8.540 13.019 1.00 0.00 C ATOM 0 H VAL B 20 12.267 -7.013 13.730 1.00 0.00 H new ATOM 0 HA VAL B 20 12.569 -9.566 15.097 1.00 0.00 H new ATOM 0 HB VAL B 20 14.416 -7.151 14.642 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.226 -8.842 14.726 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.299 -8.822 16.246 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.023 -10.113 15.052 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.088 -8.327 12.562 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.885 -9.596 12.891 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.352 -7.934 12.540 1.00 0.00 H new ATOM 1292 N ASP B 21 12.797 -6.857 16.930 1.00 0.00 N ATOM 1293 CA ASP B 21 12.807 -6.421 18.357 1.00 0.00 C ATOM 1294 C ASP B 21 11.585 -6.976 19.090 1.00 0.00 C ATOM 1295 O ASP B 21 11.668 -7.398 20.226 1.00 0.00 O ATOM 1296 CB ASP B 21 12.752 -4.893 18.301 1.00 0.00 C ATOM 1297 CG ASP B 21 13.876 -4.309 19.157 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.970 -4.848 19.112 1.00 0.00 O ATOM 1299 OD2 ASP B 21 13.626 -3.332 19.843 1.00 0.00 O ATOM 0 H ASP B 21 12.759 -6.101 16.246 1.00 0.00 H new ATOM 0 HA ASP B 21 13.686 -6.780 18.893 1.00 0.00 H new ATOM 0 HB2 ASP B 21 12.852 -4.553 17.270 1.00 0.00 H new ATOM 0 HB3 ASP B 21 11.786 -4.540 18.661 1.00 0.00 H new ATOM 1304 N GLN B 22 10.448 -6.978 18.448 1.00 0.00 N ATOM 1305 CA GLN B 22 9.220 -7.505 19.107 1.00 0.00 C ATOM 1306 C GLN B 22 9.454 -8.936 19.599 1.00 0.00 C ATOM 1307 O GLN B 22 9.164 -9.268 20.732 1.00 0.00 O ATOM 1308 CB GLN B 22 8.149 -7.479 18.017 1.00 0.00 C ATOM 1309 CG GLN B 22 6.897 -6.781 18.550 1.00 0.00 C ATOM 1310 CD GLN B 22 5.929 -7.825 19.107 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.296 -8.964 19.313 1.00 0.00 O ATOM 1312 NE2 GLN B 22 4.696 -7.481 19.361 1.00 0.00 N ATOM 0 H GLN B 22 10.317 -6.637 17.496 1.00 0.00 H new ATOM 0 HA GLN B 22 8.932 -6.916 19.978 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.523 -6.956 17.137 1.00 0.00 H new ATOM 0 HB3 GLN B 22 7.907 -8.495 17.705 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.169 -6.069 19.329 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.417 -6.213 17.753 1.00 0.00 H new ATOM 0 HE21 GLN B 22 4.388 -6.524 19.188 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.041 -8.169 19.733 1.00 0.00 H new ATOM 1321 N ALA B 23 9.976 -9.784 18.758 1.00 0.00 N ATOM 1322 CA ALA B 23 10.228 -11.192 19.178 1.00 0.00 C ATOM 1323 C ALA B 23 11.252 -11.230 20.316 1.00 0.00 C ATOM 1324 O ALA B 23 11.150 -12.025 21.229 1.00 0.00 O ATOM 1325 CB ALA B 23 10.783 -11.883 17.934 1.00 0.00 C ATOM 0 H ALA B 23 10.239 -9.564 17.798 1.00 0.00 H new ATOM 0 HA ALA B 23 9.326 -11.680 19.547 1.00 0.00 H new ATOM 0 HB1 ALA B 23 10.995 -12.928 18.162 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.049 -11.829 17.130 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.702 -11.386 17.621 1.00 0.00 H new ATOM 1331 N ARG B 24 12.236 -10.376 20.269 1.00 0.00 N ATOM 1332 CA ARG B 24 13.265 -10.362 21.349 1.00 0.00 C ATOM 1333 C ARG B 24 12.644 -9.872 22.659 1.00 0.00 C ATOM 1334 O ARG B 24 12.857 -10.441 23.711 1.00 0.00 O ATOM 1335 CB ARG B 24 14.337 -9.385 20.859 1.00 0.00 C ATOM 1336 CG ARG B 24 15.213 -8.945 22.036 1.00 0.00 C ATOM 1337 CD ARG B 24 16.629 -8.637 21.537 1.00 0.00 C ATOM 1338 NE ARG B 24 16.439 -7.852 20.284 1.00 0.00 N ATOM 1339 CZ ARG B 24 17.468 -7.552 19.534 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.667 -7.936 19.881 1.00 0.00 N ATOM 1341 NH2 ARG B 24 17.295 -6.868 18.436 1.00 0.00 N ATOM 0 H ARG B 24 12.373 -9.687 19.530 1.00 0.00 H new ATOM 0 HA ARG B 24 13.677 -11.352 21.545 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.951 -9.859 20.093 1.00 0.00 H new ATOM 0 HB3 ARG B 24 13.867 -8.516 20.398 1.00 0.00 H new ATOM 0 HG2 ARG B 24 14.784 -8.063 22.511 1.00 0.00 H new ATOM 0 HG3 ARG B 24 15.246 -9.730 22.791 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.192 -8.068 22.277 1.00 0.00 H new ATOM 0 HD3 ARG B 24 17.188 -9.553 21.347 1.00 0.00 H new ATOM 0 HE ARG B 24 15.504 -7.548 20.011 1.00 0.00 H new ATOM 0 HH11 ARG B 24 18.803 -8.471 20.739 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.468 -7.701 19.294 1.00 0.00 H new ATOM 0 HH21 ARG B 24 16.359 -6.568 18.164 1.00 0.00 H new ATOM 0 HH22 ARG B 24 18.096 -6.633 17.850 1.00 0.00 H new