USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 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 Set 1.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 33:sc= 0.675 USER MOD Single : A 9 GLN : amide:sc= -0.135 K(o=-0.13,f=-2.5!) USER MOD Single : A 13 SER OG : rot 85:sc= 0.222 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.808 K(o=-0.81,f=-4!) USER MOD Single : A 39 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.1!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 73:sc= 0.455 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -145:sc= -6.02! (180deg=-9.18!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -170:sc= -0.0874 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -98:sc= -0.134 (180deg=-1.12) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -0.375 K(o=-0.38,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.761 -8.624 9.282 1.00 0.00 N ATOM 67 CA THR A 6 2.010 -8.353 10.052 1.00 0.00 C ATOM 68 C THR A 6 3.166 -9.183 9.488 1.00 0.00 C ATOM 69 O THR A 6 4.219 -8.665 9.172 1.00 0.00 O ATOM 70 CB THR A 6 1.691 -8.776 11.486 1.00 0.00 C ATOM 71 OG1 THR A 6 0.385 -8.335 11.828 1.00 0.00 O ATOM 72 CG2 THR A 6 2.709 -8.150 12.441 1.00 0.00 C ATOM 0 HA THR A 6 2.314 -7.308 9.996 1.00 0.00 H new ATOM 0 HB THR A 6 1.741 -9.862 11.566 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.186 -8.355 11.032 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.482 -8.451 13.464 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.711 -8.488 12.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.660 -7.064 12.364 1.00 0.00 H new ATOM 80 N ALA A 7 2.979 -10.468 9.356 1.00 0.00 N ATOM 81 CA ALA A 7 4.066 -11.327 8.808 1.00 0.00 C ATOM 82 C ALA A 7 4.260 -11.035 7.318 1.00 0.00 C ATOM 83 O ALA A 7 5.366 -10.871 6.845 1.00 0.00 O ATOM 84 CB ALA A 7 3.584 -12.763 9.018 1.00 0.00 C ATOM 0 H ALA A 7 2.120 -10.960 9.604 1.00 0.00 H new ATOM 0 HA ALA A 7 5.024 -11.148 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.333 -13.458 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.429 -12.943 10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.646 -12.914 8.484 1.00 0.00 H new ATOM 90 N GLU A 8 3.187 -10.965 6.578 1.00 0.00 N ATOM 91 CA GLU A 8 3.304 -10.676 5.120 1.00 0.00 C ATOM 92 C GLU A 8 4.095 -9.384 4.903 1.00 0.00 C ATOM 93 O GLU A 8 4.860 -9.261 3.967 1.00 0.00 O ATOM 94 CB GLU A 8 1.864 -10.515 4.633 1.00 0.00 C ATOM 95 CG GLU A 8 1.863 -9.945 3.213 1.00 0.00 C ATOM 96 CD GLU A 8 0.905 -10.754 2.337 1.00 0.00 C ATOM 97 OE1 GLU A 8 -0.272 -10.432 2.327 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.364 -11.681 1.691 1.00 0.00 O ATOM 0 H GLU A 8 2.235 -11.095 6.920 1.00 0.00 H new ATOM 0 HA GLU A 8 3.829 -11.464 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.354 -11.478 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.315 -9.852 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.560 -8.898 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.870 -9.978 2.796 1.00 0.00 H new ATOM 105 N GLN A 9 3.915 -8.417 5.763 1.00 0.00 N ATOM 106 CA GLN A 9 4.655 -7.132 5.607 1.00 0.00 C ATOM 107 C GLN A 9 6.164 -7.375 5.701 1.00 0.00 C ATOM 108 O GLN A 9 6.937 -6.836 4.933 1.00 0.00 O ATOM 109 CB GLN A 9 4.179 -6.259 6.769 1.00 0.00 C ATOM 110 CG GLN A 9 4.844 -4.884 6.681 1.00 0.00 C ATOM 111 CD GLN A 9 4.028 -3.868 7.485 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.894 -4.126 7.839 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.559 -2.715 7.787 1.00 0.00 N ATOM 0 H GLN A 9 3.288 -8.462 6.566 1.00 0.00 H new ATOM 0 HA GLN A 9 4.469 -6.663 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.095 -6.153 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.425 -6.734 7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.862 -4.936 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.914 -4.568 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.510 -2.498 7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.023 -2.030 8.320 1.00 0.00 H new ATOM 122 N VAL A 10 6.590 -8.183 6.632 1.00 0.00 N ATOM 123 CA VAL A 10 8.049 -8.459 6.767 1.00 0.00 C ATOM 124 C VAL A 10 8.577 -9.121 5.491 1.00 0.00 C ATOM 125 O VAL A 10 9.640 -8.794 5.003 1.00 0.00 O ATOM 126 CB VAL A 10 8.163 -9.413 7.955 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.629 -9.798 8.161 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.639 -8.720 9.215 1.00 0.00 C ATOM 0 H VAL A 10 5.992 -8.664 7.304 1.00 0.00 H new ATOM 0 HA VAL A 10 8.632 -7.551 6.919 1.00 0.00 H new ATOM 0 HB VAL A 10 7.575 -10.310 7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.711 -10.479 9.008 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.006 -10.289 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.216 -8.901 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.719 -9.399 10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.229 -7.824 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.595 -8.442 9.070 1.00 0.00 H new ATOM 138 N ILE A 11 7.836 -10.047 4.945 1.00 0.00 N ATOM 139 CA ILE A 11 8.287 -10.726 3.699 1.00 0.00 C ATOM 140 C ILE A 11 8.523 -9.687 2.603 1.00 0.00 C ATOM 141 O ILE A 11 9.561 -9.661 1.974 1.00 0.00 O ATOM 142 CB ILE A 11 7.141 -11.663 3.322 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.022 -12.769 4.373 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.420 -12.290 1.954 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.803 -13.639 4.066 1.00 0.00 C ATOM 0 H ILE A 11 6.937 -10.362 5.309 1.00 0.00 H new ATOM 0 HA ILE A 11 9.222 -11.270 3.831 1.00 0.00 H new ATOM 0 HB ILE A 11 6.210 -11.098 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.925 -13.379 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.928 -12.332 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.602 -12.958 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.506 -11.504 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.351 -12.855 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.720 -14.426 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.903 -13.024 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.916 -14.088 3.079 1.00 0.00 H new ATOM 157 N ALA A 12 7.574 -8.817 2.383 1.00 0.00 N ATOM 158 CA ALA A 12 7.766 -7.770 1.342 1.00 0.00 C ATOM 159 C ALA A 12 9.006 -6.951 1.691 1.00 0.00 C ATOM 160 O ALA A 12 9.774 -6.564 0.833 1.00 0.00 O ATOM 161 CB ALA A 12 6.507 -6.904 1.400 1.00 0.00 C ATOM 0 H ALA A 12 6.681 -8.787 2.875 1.00 0.00 H new ATOM 0 HA ALA A 12 7.911 -8.183 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.578 -6.109 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.632 -7.519 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.412 -6.466 2.394 1.00 0.00 H new ATOM 167 N SER A 13 9.215 -6.701 2.956 1.00 0.00 N ATOM 168 CA SER A 13 10.414 -5.929 3.372 1.00 0.00 C ATOM 169 C SER A 13 11.667 -6.760 3.098 1.00 0.00 C ATOM 170 O SER A 13 12.675 -6.252 2.650 1.00 0.00 O ATOM 171 CB SER A 13 10.237 -5.694 4.872 1.00 0.00 C ATOM 172 OG SER A 13 9.194 -4.750 5.079 1.00 0.00 O ATOM 0 H SER A 13 8.605 -7.000 3.717 1.00 0.00 H new ATOM 0 HA SER A 13 10.521 -4.988 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.999 -6.632 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.167 -5.327 5.307 1.00 0.00 H new ATOM 0 HG SER A 13 8.330 -5.213 5.086 1.00 0.00 H new ATOM 178 N PHE A 14 11.605 -8.042 3.349 1.00 0.00 N ATOM 179 CA PHE A 14 12.791 -8.907 3.084 1.00 0.00 C ATOM 180 C PHE A 14 13.027 -9.003 1.577 1.00 0.00 C ATOM 181 O PHE A 14 14.144 -8.915 1.109 1.00 0.00 O ATOM 182 CB PHE A 14 12.431 -10.271 3.672 1.00 0.00 C ATOM 183 CG PHE A 14 13.087 -10.422 5.024 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.439 -10.093 5.187 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.344 -10.887 6.116 1.00 0.00 C ATOM 186 CE1 PHE A 14 15.047 -10.230 6.441 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.952 -11.023 7.370 1.00 0.00 C ATOM 188 CZ PHE A 14 14.303 -10.695 7.533 1.00 0.00 C ATOM 0 H PHE A 14 10.788 -8.525 3.724 1.00 0.00 H new ATOM 0 HA PHE A 14 13.707 -8.515 3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.349 -10.364 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.762 -11.066 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 14 15.012 -9.734 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.302 -11.141 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 14 16.089 -9.977 6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.378 -11.381 8.212 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.772 -10.800 8.500 1.00 0.00 H new ATOM 198 N ARG A 15 11.983 -9.165 0.811 1.00 0.00 N ATOM 199 CA ARG A 15 12.162 -9.243 -0.664 1.00 0.00 C ATOM 200 C ARG A 15 12.937 -8.014 -1.135 1.00 0.00 C ATOM 201 O ARG A 15 13.822 -8.100 -1.963 1.00 0.00 O ATOM 202 CB ARG A 15 10.747 -9.248 -1.245 1.00 0.00 C ATOM 203 CG ARG A 15 10.718 -10.122 -2.499 1.00 0.00 C ATOM 204 CD ARG A 15 9.968 -9.393 -3.617 1.00 0.00 C ATOM 205 NE ARG A 15 10.098 -10.282 -4.806 1.00 0.00 N ATOM 206 CZ ARG A 15 9.552 -9.943 -5.943 1.00 0.00 C ATOM 207 NH1 ARG A 15 8.884 -8.826 -6.045 1.00 0.00 N ATOM 208 NH2 ARG A 15 9.673 -10.725 -6.981 1.00 0.00 N ATOM 0 H ARG A 15 11.021 -9.246 1.141 1.00 0.00 H new ATOM 0 HA ARG A 15 12.718 -10.126 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.040 -9.627 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.438 -8.232 -1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.735 -10.351 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.231 -11.073 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.922 -9.235 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.400 -8.411 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 15 10.615 -11.158 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.787 -8.214 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.459 -8.565 -6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.193 -11.599 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.247 -10.462 -7.870 1.00 0.00 H new ATOM 222 N ILE A 16 12.615 -6.869 -0.599 1.00 0.00 N ATOM 223 CA ILE A 16 13.341 -5.632 -0.998 1.00 0.00 C ATOM 224 C ILE A 16 14.821 -5.764 -0.631 1.00 0.00 C ATOM 225 O ILE A 16 15.695 -5.388 -1.388 1.00 0.00 O ATOM 226 CB ILE A 16 12.686 -4.508 -0.195 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.309 -4.199 -0.785 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.564 -3.257 -0.261 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.638 -3.093 0.033 1.00 0.00 C ATOM 0 H ILE A 16 11.881 -6.737 0.097 1.00 0.00 H new ATOM 0 HA ILE A 16 13.288 -5.443 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 16 12.575 -4.818 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.409 -3.887 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.690 -5.096 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.098 -2.455 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.545 -3.479 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.675 -2.945 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.657 -2.873 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.524 -3.422 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.254 -2.194 0.005 1.00 0.00 H new ATOM 241 N LEU A 17 15.110 -6.309 0.521 1.00 0.00 N ATOM 242 CA LEU A 17 16.535 -6.476 0.929 1.00 0.00 C ATOM 243 C LEU A 17 17.224 -7.454 -0.019 1.00 0.00 C ATOM 244 O LEU A 17 18.347 -7.247 -0.436 1.00 0.00 O ATOM 245 CB LEU A 17 16.483 -7.054 2.344 1.00 0.00 C ATOM 246 CG LEU A 17 15.774 -6.071 3.276 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.974 -6.504 4.730 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.358 -4.671 3.078 1.00 0.00 C ATOM 0 H LEU A 17 14.422 -6.645 1.195 1.00 0.00 H new ATOM 0 HA LEU A 17 17.091 -5.539 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.957 -8.009 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.493 -7.249 2.705 1.00 0.00 H new ATOM 0 HG LEU A 17 14.709 -6.059 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.468 -5.801 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.558 -7.501 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.039 -6.518 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.853 -3.969 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.424 -4.685 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.214 -4.360 2.043 1.00 0.00 H new ATOM 260 N ALA A 18 16.554 -8.519 -0.367 1.00 0.00 N ATOM 261 CA ALA A 18 17.165 -9.514 -1.295 1.00 0.00 C ATOM 262 C ALA A 18 17.112 -8.993 -2.734 1.00 0.00 C ATOM 263 O ALA A 18 17.670 -9.581 -3.639 1.00 0.00 O ATOM 264 CB ALA A 18 16.306 -10.770 -1.149 1.00 0.00 C ATOM 0 H ALA A 18 15.611 -8.743 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 18 18.213 -9.707 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.692 -11.553 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.336 -11.113 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.277 -10.541 -1.426 1.00 0.00 H new ATOM 270 N SER A 19 16.444 -7.893 -2.952 1.00 0.00 N ATOM 271 CA SER A 19 16.351 -7.332 -4.332 1.00 0.00 C ATOM 272 C SER A 19 15.512 -8.252 -5.222 1.00 0.00 C ATOM 273 O SER A 19 16.011 -8.863 -6.145 1.00 0.00 O ATOM 274 CB SER A 19 17.792 -7.268 -4.835 1.00 0.00 C ATOM 275 OG SER A 19 17.995 -6.041 -5.524 1.00 0.00 O ATOM 0 H SER A 19 15.958 -7.357 -2.233 1.00 0.00 H new ATOM 0 HA SER A 19 15.872 -6.353 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.485 -7.347 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.996 -8.109 -5.498 1.00 0.00 H new ATOM 0 HG SER A 19 18.919 -5.996 -5.847 1.00 0.00 H new ATOM 281 N ASP A 20 14.239 -8.354 -4.952 1.00 0.00 N ATOM 282 CA ASP A 20 13.366 -9.232 -5.783 1.00 0.00 C ATOM 283 C ASP A 20 13.861 -10.681 -5.726 1.00 0.00 C ATOM 284 O ASP A 20 14.235 -11.258 -6.726 1.00 0.00 O ATOM 285 CB ASP A 20 13.489 -8.680 -7.203 1.00 0.00 C ATOM 286 CG ASP A 20 12.168 -8.024 -7.611 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.207 -8.748 -7.811 1.00 0.00 O ATOM 288 OD2 ASP A 20 12.141 -6.810 -7.717 1.00 0.00 O ATOM 0 H ASP A 20 13.765 -7.867 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 20 12.333 -9.236 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.299 -7.953 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.738 -9.483 -7.897 1.00 0.00 H new ATOM 293 N LYS A 21 13.865 -11.272 -4.562 1.00 0.00 N ATOM 294 CA LYS A 21 14.331 -12.681 -4.444 1.00 0.00 C ATOM 295 C LYS A 21 13.567 -13.393 -3.327 1.00 0.00 C ATOM 296 O LYS A 21 13.273 -12.809 -2.304 1.00 0.00 O ATOM 297 CB LYS A 21 15.817 -12.577 -4.094 1.00 0.00 C ATOM 298 CG LYS A 21 16.592 -12.059 -5.308 1.00 0.00 C ATOM 299 CD LYS A 21 17.981 -12.701 -5.337 1.00 0.00 C ATOM 300 CE LYS A 21 19.046 -11.607 -5.455 1.00 0.00 C ATOM 301 NZ LYS A 21 20.194 -12.263 -6.142 1.00 0.00 N ATOM 0 H LYS A 21 13.566 -10.839 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 21 14.166 -13.251 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.956 -11.905 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.200 -13.552 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.052 -12.294 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.682 -10.974 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.143 -13.285 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.057 -13.390 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.677 -10.756 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.336 -11.230 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.966 -11.576 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.528 -13.065 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.890 -12.606 -7.076 1.00 0.00 H new ATOM 315 N PRO A 22 13.276 -14.644 -3.562 1.00 0.00 N ATOM 316 CA PRO A 22 12.539 -15.418 -2.529 1.00 0.00 C ATOM 317 C PRO A 22 13.473 -15.764 -1.365 1.00 0.00 C ATOM 318 O PRO A 22 13.082 -16.407 -0.412 1.00 0.00 O ATOM 319 CB PRO A 22 12.083 -16.684 -3.252 1.00 0.00 C ATOM 320 CG PRO A 22 12.135 -16.347 -4.705 1.00 0.00 C ATOM 321 CD PRO A 22 13.196 -15.296 -4.876 1.00 0.00 C ATOM 0 HA PRO A 22 11.702 -14.864 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.735 -17.526 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.075 -16.968 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.369 -17.231 -5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.169 -15.979 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.151 -15.738 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.929 -14.585 -5.657 1.00 0.00 H new ATOM 329 N TYR A 23 14.706 -15.337 -1.435 1.00 0.00 N ATOM 330 CA TYR A 23 15.665 -15.638 -0.333 1.00 0.00 C ATOM 331 C TYR A 23 16.643 -14.474 -0.152 1.00 0.00 C ATOM 332 O TYR A 23 16.760 -13.614 -1.002 1.00 0.00 O ATOM 333 CB TYR A 23 16.405 -16.898 -0.784 1.00 0.00 C ATOM 334 CG TYR A 23 17.149 -16.612 -2.066 1.00 0.00 C ATOM 335 CD1 TYR A 23 18.419 -16.024 -2.022 1.00 0.00 C ATOM 336 CD2 TYR A 23 16.569 -16.934 -3.299 1.00 0.00 C ATOM 337 CE1 TYR A 23 19.108 -15.758 -3.211 1.00 0.00 C ATOM 338 CE2 TYR A 23 17.259 -16.668 -4.488 1.00 0.00 C ATOM 339 CZ TYR A 23 18.528 -16.080 -4.444 1.00 0.00 C ATOM 340 OH TYR A 23 19.208 -15.819 -5.616 1.00 0.00 O ATOM 0 H TYR A 23 15.090 -14.793 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 23 15.164 -15.782 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.102 -17.220 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.698 -17.714 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.867 -15.776 -1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.589 -17.388 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 23 20.087 -15.304 -3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.812 -16.917 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 23 18.665 -16.104 -6.380 1.00 0.00 H new ATOM 350 N ILE A 24 17.344 -14.436 0.948 1.00 0.00 N ATOM 351 CA ILE A 24 18.310 -13.323 1.178 1.00 0.00 C ATOM 352 C ILE A 24 19.666 -13.883 1.631 1.00 0.00 C ATOM 353 O ILE A 24 19.735 -14.835 2.383 1.00 0.00 O ATOM 354 CB ILE A 24 17.662 -12.462 2.274 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.141 -11.014 2.137 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.036 -12.992 3.662 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.642 -10.940 2.414 1.00 0.00 C ATOM 0 H ILE A 24 17.290 -15.126 1.697 1.00 0.00 H new ATOM 0 HA ILE A 24 18.506 -12.742 0.277 1.00 0.00 H new ATOM 0 HB ILE A 24 16.579 -12.506 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.928 -10.644 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.601 -10.374 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.569 -12.371 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.687 -14.019 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.119 -12.963 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.980 -9.908 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.843 -11.293 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.175 -11.566 1.699 1.00 0.00 H new ATOM 369 N LEU A 25 20.743 -13.300 1.180 1.00 0.00 N ATOM 370 CA LEU A 25 22.088 -13.799 1.584 1.00 0.00 C ATOM 371 C LEU A 25 22.465 -13.247 2.961 1.00 0.00 C ATOM 372 O LEU A 25 21.951 -12.237 3.399 1.00 0.00 O ATOM 373 CB LEU A 25 23.044 -13.274 0.513 1.00 0.00 C ATOM 374 CG LEU A 25 22.818 -14.040 -0.792 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.936 -13.080 -1.978 1.00 0.00 C ATOM 376 CD2 LEU A 25 23.870 -15.144 -0.922 1.00 0.00 C ATOM 0 H LEU A 25 20.749 -12.499 0.549 1.00 0.00 H new ATOM 0 HA LEU A 25 22.120 -14.886 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.880 -12.208 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.076 -13.392 0.842 1.00 0.00 H new ATOM 0 HG LEU A 25 21.822 -14.484 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.775 -13.627 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.187 -12.294 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 25 23.931 -12.634 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.711 -15.691 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.865 -14.699 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.785 -15.829 -0.079 1.00 0.00 H new ATOM 388 N ALA A 26 23.359 -13.904 3.646 1.00 0.00 N ATOM 389 CA ALA A 26 23.772 -13.422 4.996 1.00 0.00 C ATOM 390 C ALA A 26 24.580 -12.126 4.874 1.00 0.00 C ATOM 391 O ALA A 26 24.413 -11.207 5.650 1.00 0.00 O ATOM 392 CB ALA A 26 24.639 -14.543 5.570 1.00 0.00 C ATOM 0 H ALA A 26 23.823 -14.756 3.330 1.00 0.00 H new ATOM 0 HA ALA A 26 22.916 -13.202 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.983 -14.263 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.053 -15.460 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.500 -14.706 4.921 1.00 0.00 H new ATOM 398 N GLU A 27 25.454 -12.044 3.907 1.00 0.00 N ATOM 399 CA GLU A 27 26.266 -10.809 3.740 1.00 0.00 C ATOM 400 C GLU A 27 25.353 -9.608 3.482 1.00 0.00 C ATOM 401 O GLU A 27 25.620 -8.506 3.919 1.00 0.00 O ATOM 402 CB GLU A 27 27.147 -11.087 2.524 1.00 0.00 C ATOM 403 CG GLU A 27 27.898 -12.404 2.725 1.00 0.00 C ATOM 404 CD GLU A 27 29.160 -12.410 1.859 1.00 0.00 C ATOM 405 OE1 GLU A 27 29.762 -11.359 1.719 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.499 -13.464 1.350 1.00 0.00 O ATOM 0 H GLU A 27 25.639 -12.781 3.226 1.00 0.00 H new ATOM 0 HA GLU A 27 26.854 -10.572 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.535 -11.139 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.855 -10.271 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.164 -12.526 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 27 27.257 -13.245 2.458 1.00 0.00 H new ATOM 413 N GLU A 28 24.277 -9.815 2.775 1.00 0.00 N ATOM 414 CA GLU A 28 23.343 -8.690 2.487 1.00 0.00 C ATOM 415 C GLU A 28 22.726 -8.178 3.790 1.00 0.00 C ATOM 416 O GLU A 28 22.634 -6.988 4.019 1.00 0.00 O ATOM 417 CB GLU A 28 22.268 -9.292 1.580 1.00 0.00 C ATOM 418 CG GLU A 28 22.752 -9.262 0.128 1.00 0.00 C ATOM 419 CD GLU A 28 21.548 -9.183 -0.811 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.823 -8.204 -0.731 1.00 0.00 O ATOM 421 OE2 GLU A 28 21.369 -10.100 -1.594 1.00 0.00 O ATOM 0 H GLU A 28 24.003 -10.716 2.383 1.00 0.00 H new ATOM 0 HA GLU A 28 23.842 -7.843 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.054 -10.317 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.339 -8.730 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.407 -8.405 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.338 -10.155 -0.089 1.00 0.00 H new ATOM 428 N LEU A 29 22.309 -9.066 4.650 1.00 0.00 N ATOM 429 CA LEU A 29 21.707 -8.625 5.940 1.00 0.00 C ATOM 430 C LEU A 29 22.732 -7.814 6.734 1.00 0.00 C ATOM 431 O LEU A 29 22.393 -6.886 7.443 1.00 0.00 O ATOM 432 CB LEU A 29 21.355 -9.918 6.680 1.00 0.00 C ATOM 433 CG LEU A 29 20.300 -10.700 5.890 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.683 -11.772 6.790 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.202 -9.746 5.413 1.00 0.00 C ATOM 0 H LEU A 29 22.359 -10.076 4.516 1.00 0.00 H new ATOM 0 HA LEU A 29 20.831 -7.992 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.249 -10.527 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.978 -9.686 7.676 1.00 0.00 H new ATOM 0 HG LEU A 29 20.771 -11.171 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.932 -12.329 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.462 -12.454 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.214 -11.298 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.453 -10.305 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.731 -9.273 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.639 -8.980 4.772 1.00 0.00 H new ATOM 447 N ARG A 30 23.985 -8.158 6.618 1.00 0.00 N ATOM 448 CA ARG A 30 25.040 -7.414 7.362 1.00 0.00 C ATOM 449 C ARG A 30 25.173 -5.990 6.814 1.00 0.00 C ATOM 450 O ARG A 30 25.440 -5.057 7.544 1.00 0.00 O ATOM 451 CB ARG A 30 26.328 -8.200 7.113 1.00 0.00 C ATOM 452 CG ARG A 30 26.652 -9.056 8.338 1.00 0.00 C ATOM 453 CD ARG A 30 27.813 -9.997 8.007 1.00 0.00 C ATOM 454 NE ARG A 30 28.234 -10.568 9.317 1.00 0.00 N ATOM 455 CZ ARG A 30 27.515 -11.497 9.888 1.00 0.00 C ATOM 456 NH1 ARG A 30 26.424 -11.930 9.315 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.889 -11.994 11.036 1.00 0.00 N ATOM 0 H ARG A 30 24.325 -8.925 6.038 1.00 0.00 H new ATOM 0 HA ARG A 30 24.810 -7.327 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.215 -8.834 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.150 -7.515 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.915 -8.418 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.776 -9.632 8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.501 -10.781 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.632 -9.460 7.529 1.00 0.00 H new ATOM 0 HE ARG A 30 29.085 -10.233 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 30 26.131 -11.543 8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 30 25.865 -12.656 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 30 28.741 -11.657 11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.329 -12.720 11.484 1.00 0.00 H new ATOM 471 N ARG A 31 24.997 -5.816 5.532 1.00 0.00 N ATOM 472 CA ARG A 31 25.123 -4.450 4.945 1.00 0.00 C ATOM 473 C ARG A 31 23.752 -3.781 4.825 1.00 0.00 C ATOM 474 O ARG A 31 23.648 -2.574 4.727 1.00 0.00 O ATOM 475 CB ARG A 31 25.733 -4.669 3.561 1.00 0.00 C ATOM 476 CG ARG A 31 26.772 -3.581 3.286 1.00 0.00 C ATOM 477 CD ARG A 31 26.897 -3.360 1.777 1.00 0.00 C ATOM 478 NE ARG A 31 28.013 -2.387 1.624 1.00 0.00 N ATOM 479 CZ ARG A 31 28.312 -1.910 0.446 1.00 0.00 C ATOM 480 NH1 ARG A 31 27.628 -2.279 -0.605 1.00 0.00 N ATOM 481 NH2 ARG A 31 29.295 -1.063 0.318 1.00 0.00 N ATOM 0 H ARG A 31 24.772 -6.557 4.868 1.00 0.00 H new ATOM 0 HA ARG A 31 25.735 -3.796 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.198 -5.653 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.953 -4.644 2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.480 -2.653 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.737 -3.872 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.113 -4.294 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.971 -2.968 1.357 1.00 0.00 H new ATOM 0 HE ARG A 31 28.546 -2.092 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 26.858 -2.941 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 31 27.864 -1.905 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 31 29.829 -0.774 1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.530 -0.689 -0.602 1.00 0.00 H new ATOM 495 N GLU A 32 22.698 -4.549 4.827 1.00 0.00 N ATOM 496 CA GLU A 32 21.341 -3.943 4.707 1.00 0.00 C ATOM 497 C GLU A 32 20.714 -3.756 6.091 1.00 0.00 C ATOM 498 O GLU A 32 19.846 -2.929 6.281 1.00 0.00 O ATOM 499 CB GLU A 32 20.535 -4.949 3.886 1.00 0.00 C ATOM 500 CG GLU A 32 20.960 -4.866 2.419 1.00 0.00 C ATOM 501 CD GLU A 32 20.321 -6.016 1.637 1.00 0.00 C ATOM 502 OE1 GLU A 32 19.462 -6.678 2.195 1.00 0.00 O ATOM 503 OE2 GLU A 32 20.702 -6.214 0.496 1.00 0.00 O ATOM 0 H GLU A 32 22.716 -5.566 4.906 1.00 0.00 H new ATOM 0 HA GLU A 32 21.369 -2.959 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.697 -5.958 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.469 -4.740 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.655 -3.910 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 32 22.046 -4.918 2.340 1.00 0.00 H new ATOM 510 N LEU A 33 21.145 -4.519 7.058 1.00 0.00 N ATOM 511 CA LEU A 33 20.573 -4.385 8.422 1.00 0.00 C ATOM 512 C LEU A 33 21.697 -4.247 9.452 1.00 0.00 C ATOM 513 O LEU A 33 22.798 -4.712 9.236 1.00 0.00 O ATOM 514 CB LEU A 33 19.800 -5.682 8.638 1.00 0.00 C ATOM 515 CG LEU A 33 18.316 -5.451 8.342 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.591 -6.798 8.286 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.700 -4.588 9.446 1.00 0.00 C ATOM 0 H LEU A 33 21.870 -5.230 6.959 1.00 0.00 H new ATOM 0 HA LEU A 33 19.939 -3.505 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.193 -6.464 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.927 -6.026 9.664 1.00 0.00 H new ATOM 0 HG LEU A 33 18.214 -4.941 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.534 -6.634 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.027 -7.413 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.695 -7.307 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.643 -4.425 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.803 -5.096 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.214 -3.628 9.487 1.00 0.00 H new ATOM 529 N PRO A 34 21.377 -3.608 10.545 1.00 0.00 N ATOM 530 CA PRO A 34 22.407 -3.427 11.604 1.00 0.00 C ATOM 531 C PRO A 34 22.969 -4.785 12.035 1.00 0.00 C ATOM 532 O PRO A 34 22.311 -5.798 11.910 1.00 0.00 O ATOM 533 CB PRO A 34 21.656 -2.762 12.757 1.00 0.00 C ATOM 534 CG PRO A 34 20.420 -2.187 12.147 1.00 0.00 C ATOM 535 CD PRO A 34 20.092 -3.022 10.940 1.00 0.00 C ATOM 0 HA PRO A 34 23.255 -2.831 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.410 -3.485 13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.261 -1.985 13.224 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.596 -2.201 12.860 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.579 -1.146 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.359 -3.793 11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.669 -2.415 10.140 1.00 0.00 H new ATOM 543 N PRO A 35 24.177 -4.754 12.532 1.00 0.00 N ATOM 544 CA PRO A 35 24.808 -6.026 12.979 1.00 0.00 C ATOM 545 C PRO A 35 23.835 -6.824 13.851 1.00 0.00 C ATOM 546 O PRO A 35 23.763 -8.035 13.770 1.00 0.00 O ATOM 547 CB PRO A 35 26.024 -5.583 13.793 1.00 0.00 C ATOM 548 CG PRO A 35 25.765 -4.156 14.145 1.00 0.00 C ATOM 549 CD PRO A 35 24.891 -3.588 13.063 1.00 0.00 C ATOM 0 HA PRO A 35 25.082 -6.673 12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.141 -6.194 14.688 1.00 0.00 H new ATOM 0 HB3 PRO A 35 26.942 -5.685 13.215 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.275 -4.081 15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.700 -3.601 14.217 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.200 -2.843 13.458 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.482 -3.096 12.290 1.00 0.00 H new ATOM 557 N ASP A 36 23.087 -6.156 14.685 1.00 0.00 N ATOM 558 CA ASP A 36 22.120 -6.875 15.563 1.00 0.00 C ATOM 559 C ASP A 36 21.049 -7.571 14.716 1.00 0.00 C ATOM 560 O ASP A 36 20.725 -8.721 14.931 1.00 0.00 O ATOM 561 CB ASP A 36 21.491 -5.786 16.432 1.00 0.00 C ATOM 562 CG ASP A 36 22.332 -5.589 17.693 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.545 -5.539 17.571 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.750 -5.490 18.761 1.00 0.00 O ATOM 0 H ASP A 36 23.103 -5.142 14.797 1.00 0.00 H new ATOM 0 HA ASP A 36 22.602 -7.648 16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 36 21.429 -4.852 15.874 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.472 -6.065 16.702 1.00 0.00 H new ATOM 569 N GLN A 37 20.498 -6.880 13.756 1.00 0.00 N ATOM 570 CA GLN A 37 19.448 -7.498 12.898 1.00 0.00 C ATOM 571 C GLN A 37 20.059 -8.579 12.003 1.00 0.00 C ATOM 572 O GLN A 37 19.515 -9.656 11.853 1.00 0.00 O ATOM 573 CB GLN A 37 18.902 -6.347 12.051 1.00 0.00 C ATOM 574 CG GLN A 37 17.734 -5.682 12.782 1.00 0.00 C ATOM 575 CD GLN A 37 18.224 -5.109 14.113 1.00 0.00 C ATOM 576 OE1 GLN A 37 19.103 -4.271 14.140 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.690 -5.530 15.227 1.00 0.00 N ATOM 0 H GLN A 37 20.730 -5.913 13.529 1.00 0.00 H new ATOM 0 HA GLN A 37 18.667 -7.980 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.689 -5.617 11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.572 -6.720 11.081 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.310 -4.888 12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.940 -6.408 12.957 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.952 -6.234 15.205 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.011 -5.155 16.120 1.00 0.00 H new ATOM 586 N ALA A 38 21.186 -8.302 11.405 1.00 0.00 N ATOM 587 CA ALA A 38 21.829 -9.313 10.517 1.00 0.00 C ATOM 588 C ALA A 38 22.065 -10.619 11.280 1.00 0.00 C ATOM 589 O ALA A 38 21.742 -11.692 10.807 1.00 0.00 O ATOM 590 CB ALA A 38 23.161 -8.686 10.105 1.00 0.00 C ATOM 0 H ALA A 38 21.689 -7.419 11.493 1.00 0.00 H new ATOM 0 HA ALA A 38 21.208 -9.559 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.697 -9.370 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.975 -7.749 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.762 -8.491 10.993 1.00 0.00 H new ATOM 596 N GLN A 39 22.623 -10.539 12.456 1.00 0.00 N ATOM 597 CA GLN A 39 22.879 -11.779 13.246 1.00 0.00 C ATOM 598 C GLN A 39 21.554 -12.448 13.624 1.00 0.00 C ATOM 599 O GLN A 39 21.410 -13.651 13.541 1.00 0.00 O ATOM 600 CB GLN A 39 23.618 -11.304 14.497 1.00 0.00 C ATOM 601 CG GLN A 39 24.549 -12.413 14.993 1.00 0.00 C ATOM 602 CD GLN A 39 23.799 -13.306 15.983 1.00 0.00 C ATOM 603 OE1 GLN A 39 22.589 -13.248 16.073 1.00 0.00 O ATOM 604 NE2 GLN A 39 24.470 -14.134 16.735 1.00 0.00 N ATOM 0 H GLN A 39 22.913 -9.670 12.905 1.00 0.00 H new ATOM 0 HA GLN A 39 23.457 -12.515 12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.193 -10.405 14.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.903 -11.039 15.276 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.906 -13.006 14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.426 -11.978 15.472 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.486 -14.183 16.659 1.00 0.00 H new ATOM 0 HE22 GLN A 39 23.979 -14.733 17.399 1.00 0.00 H new ATOM 613 N TYR A 40 20.587 -11.677 14.040 1.00 0.00 N ATOM 614 CA TYR A 40 19.274 -12.269 14.424 1.00 0.00 C ATOM 615 C TYR A 40 18.598 -12.900 13.203 1.00 0.00 C ATOM 616 O TYR A 40 18.108 -14.011 13.257 1.00 0.00 O ATOM 617 CB TYR A 40 18.447 -11.092 14.944 1.00 0.00 C ATOM 618 CG TYR A 40 17.567 -11.555 16.080 1.00 0.00 C ATOM 619 CD1 TYR A 40 16.397 -12.275 15.811 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.922 -11.264 17.402 1.00 0.00 C ATOM 621 CE1 TYR A 40 15.581 -12.703 16.865 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.105 -11.691 18.456 1.00 0.00 C ATOM 623 CZ TYR A 40 15.936 -12.411 18.187 1.00 0.00 C ATOM 624 OH TYR A 40 15.131 -12.832 19.227 1.00 0.00 O ATOM 0 H TYR A 40 20.649 -10.663 14.131 1.00 0.00 H new ATOM 0 HA TYR A 40 19.380 -13.057 15.170 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.106 -10.293 15.283 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.835 -10.681 14.141 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.124 -12.500 14.791 1.00 0.00 H new ATOM 0 HD2 TYR A 40 18.826 -10.710 17.609 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.678 -13.258 16.658 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.377 -11.465 19.476 1.00 0.00 H new ATOM 0 HH TYR A 40 15.522 -12.548 20.079 1.00 0.00 H new ATOM 634 N CYS A 41 18.566 -12.201 12.102 1.00 0.00 N ATOM 635 CA CYS A 41 17.920 -12.758 10.879 1.00 0.00 C ATOM 636 C CYS A 41 18.695 -13.979 10.373 1.00 0.00 C ATOM 637 O CYS A 41 18.126 -15.020 10.109 1.00 0.00 O ATOM 638 CB CYS A 41 17.974 -11.628 9.851 1.00 0.00 C ATOM 639 SG CYS A 41 17.160 -10.160 10.526 1.00 0.00 S ATOM 0 H CYS A 41 18.960 -11.266 11.996 1.00 0.00 H new ATOM 0 HA CYS A 41 16.899 -13.089 11.070 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.010 -11.400 9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.483 -11.937 8.928 1.00 0.00 H new ATOM 0 HG CYS A 41 17.919 -9.622 11.435 1.00 0.00 H new ATOM 645 N ILE A 42 19.986 -13.860 10.233 1.00 0.00 N ATOM 646 CA ILE A 42 20.790 -15.015 9.739 1.00 0.00 C ATOM 647 C ILE A 42 20.608 -16.225 10.661 1.00 0.00 C ATOM 648 O ILE A 42 20.793 -17.357 10.257 1.00 0.00 O ATOM 649 CB ILE A 42 22.240 -14.527 9.765 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.492 -13.622 8.557 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.188 -15.728 9.704 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.451 -12.498 8.951 1.00 0.00 C ATOM 0 H ILE A 42 20.519 -13.015 10.439 1.00 0.00 H new ATOM 0 HA ILE A 42 20.486 -15.334 8.742 1.00 0.00 H new ATOM 0 HB ILE A 42 22.418 -13.970 10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.913 -14.203 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.551 -13.203 8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.220 -15.378 9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.009 -16.377 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.010 -16.285 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.630 -11.854 8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.012 -11.911 9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.396 -12.926 9.286 1.00 0.00 H new ATOM 664 N LYS A 43 20.248 -15.999 11.894 1.00 0.00 N ATOM 665 CA LYS A 43 20.058 -17.141 12.835 1.00 0.00 C ATOM 666 C LYS A 43 18.679 -17.774 12.633 1.00 0.00 C ATOM 667 O LYS A 43 18.492 -18.956 12.845 1.00 0.00 O ATOM 668 CB LYS A 43 20.168 -16.527 14.231 1.00 0.00 C ATOM 669 CG LYS A 43 20.485 -17.625 15.248 1.00 0.00 C ATOM 670 CD LYS A 43 19.197 -18.065 15.945 1.00 0.00 C ATOM 671 CE LYS A 43 19.543 -18.789 17.249 1.00 0.00 C ATOM 672 NZ LYS A 43 18.924 -17.963 18.321 1.00 0.00 N ATOM 0 H LYS A 43 20.077 -15.075 12.291 1.00 0.00 H new ATOM 0 HA LYS A 43 20.793 -17.930 12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.949 -15.767 14.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.235 -16.030 14.496 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.949 -18.475 14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.201 -17.258 15.983 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.570 -17.198 16.153 1.00 0.00 H new ATOM 0 HD3 LYS A 43 18.624 -18.724 15.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.147 -19.804 17.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.622 -18.867 17.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.117 -18.395 19.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.325 -17.004 18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.896 -17.912 18.170 1.00 0.00 H new ATOM 686 N ARG A 44 17.711 -16.998 12.229 1.00 0.00 N ATOM 687 CA ARG A 44 16.345 -17.558 12.017 1.00 0.00 C ATOM 688 C ARG A 44 16.224 -18.136 10.604 1.00 0.00 C ATOM 689 O ARG A 44 15.945 -19.306 10.427 1.00 0.00 O ATOM 690 CB ARG A 44 15.401 -16.370 12.198 1.00 0.00 C ATOM 691 CG ARG A 44 15.286 -16.040 13.687 1.00 0.00 C ATOM 692 CD ARG A 44 14.688 -17.236 14.432 1.00 0.00 C ATOM 693 NE ARG A 44 13.559 -16.673 15.224 1.00 0.00 N ATOM 694 CZ ARG A 44 12.619 -17.459 15.677 1.00 0.00 C ATOM 695 NH1 ARG A 44 12.662 -18.741 15.436 1.00 0.00 N ATOM 696 NH2 ARG A 44 11.634 -16.961 16.372 1.00 0.00 N ATOM 0 H ARG A 44 17.806 -16.001 12.036 1.00 0.00 H new ATOM 0 HA ARG A 44 16.116 -18.368 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.776 -15.506 11.650 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.419 -16.605 11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.268 -15.799 14.094 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.658 -15.160 13.828 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.340 -18.000 13.737 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.427 -17.707 15.079 1.00 0.00 H new ATOM 0 HE ARG A 44 13.520 -15.671 15.413 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.431 -19.132 14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.926 -19.352 15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.598 -15.959 16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.899 -17.573 16.726 1.00 0.00 H new ATOM 710 N MET A 45 16.433 -17.325 9.602 1.00 0.00 N ATOM 711 CA MET A 45 16.336 -17.817 8.197 1.00 0.00 C ATOM 712 C MET A 45 16.912 -19.231 8.077 1.00 0.00 C ATOM 713 O MET A 45 18.077 -19.453 8.345 1.00 0.00 O ATOM 714 CB MET A 45 17.173 -16.832 7.382 1.00 0.00 C ATOM 715 CG MET A 45 16.413 -16.443 6.115 1.00 0.00 C ATOM 716 SD MET A 45 16.744 -14.708 5.722 1.00 0.00 S ATOM 717 CE MET A 45 15.895 -13.986 7.148 1.00 0.00 C ATOM 0 H MET A 45 16.668 -16.337 9.697 1.00 0.00 H new ATOM 0 HA MET A 45 15.303 -17.870 7.852 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.389 -15.944 7.976 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.131 -17.282 7.121 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.719 -17.080 5.285 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.343 -16.597 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.429 -13.045 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.129 -14.675 7.503 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.615 -13.802 7.945 1.00 0.00 H new ATOM 727 N PRO A 46 16.071 -20.143 7.672 1.00 0.00 N ATOM 728 CA PRO A 46 16.542 -21.545 7.521 1.00 0.00 C ATOM 729 C PRO A 46 17.251 -21.723 6.176 1.00 0.00 C ATOM 730 O PRO A 46 17.639 -20.765 5.537 1.00 0.00 O ATOM 731 CB PRO A 46 15.268 -22.391 7.576 1.00 0.00 C ATOM 732 CG PRO A 46 14.142 -21.432 7.367 1.00 0.00 C ATOM 733 CD PRO A 46 14.615 -20.087 7.837 1.00 0.00 C ATOM 0 HA PRO A 46 17.257 -21.830 8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.275 -23.162 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.176 -22.901 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.858 -21.395 6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.260 -21.746 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.177 -19.282 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.338 -19.908 8.876 1.00 0.00 H new ATOM 859 N ALA A 57 21.832 -18.836 0.438 1.00 0.00 N ATOM 860 CA ALA A 57 20.489 -18.232 0.206 1.00 0.00 C ATOM 861 C ALA A 57 19.492 -18.744 1.248 1.00 0.00 C ATOM 862 O ALA A 57 18.920 -19.807 1.105 1.00 0.00 O ATOM 863 CB ALA A 57 20.084 -18.692 -1.194 1.00 0.00 C ATOM 0 HA ALA A 57 20.505 -17.145 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.102 -18.287 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.815 -18.336 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.045 -19.781 -1.222 1.00 0.00 H new ATOM 869 N LEU A 58 19.277 -17.997 2.295 1.00 0.00 N ATOM 870 CA LEU A 58 18.317 -18.442 3.346 1.00 0.00 C ATOM 871 C LEU A 58 16.922 -17.878 3.060 1.00 0.00 C ATOM 872 O LEU A 58 16.774 -16.870 2.399 1.00 0.00 O ATOM 873 CB LEU A 58 18.867 -17.872 4.653 1.00 0.00 C ATOM 874 CG LEU A 58 20.292 -18.382 4.874 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.043 -17.415 5.790 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.242 -19.767 5.525 1.00 0.00 C ATOM 0 H LEU A 58 19.724 -17.097 2.469 1.00 0.00 H new ATOM 0 HA LEU A 58 18.220 -19.527 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.861 -16.783 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.230 -18.167 5.487 1.00 0.00 H new ATOM 0 HG LEU A 58 20.807 -18.449 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.059 -17.778 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.078 -16.429 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.529 -17.348 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.257 -20.132 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.727 -19.700 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.706 -20.457 4.873 1.00 0.00 H new ATOM 888 N ASP A 59 15.898 -18.519 3.554 1.00 0.00 N ATOM 889 CA ASP A 59 14.516 -18.016 3.309 1.00 0.00 C ATOM 890 C ASP A 59 13.980 -17.315 4.562 1.00 0.00 C ATOM 891 O ASP A 59 13.729 -17.937 5.574 1.00 0.00 O ATOM 892 CB ASP A 59 13.690 -19.263 2.993 1.00 0.00 C ATOM 893 CG ASP A 59 13.580 -19.431 1.476 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.387 -18.844 0.775 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.691 -20.145 1.042 1.00 0.00 O ATOM 0 H ASP A 59 15.958 -19.368 4.116 1.00 0.00 H new ATOM 0 HA ASP A 59 14.477 -17.288 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.157 -20.143 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.697 -19.175 3.433 1.00 0.00 H new ATOM 900 N TYR A 60 13.805 -16.024 4.497 1.00 0.00 N ATOM 901 CA TYR A 60 13.288 -15.273 5.677 1.00 0.00 C ATOM 902 C TYR A 60 11.800 -15.569 5.880 1.00 0.00 C ATOM 903 O TYR A 60 11.266 -15.410 6.960 1.00 0.00 O ATOM 904 CB TYR A 60 13.492 -13.800 5.322 1.00 0.00 C ATOM 905 CG TYR A 60 12.801 -13.501 4.013 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.411 -13.344 3.975 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.552 -13.382 2.837 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.770 -13.067 2.762 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.911 -13.106 1.622 1.00 0.00 C ATOM 910 CZ TYR A 60 11.520 -12.949 1.585 1.00 0.00 C ATOM 911 OH TYR A 60 10.889 -12.677 0.388 1.00 0.00 O ATOM 0 H TYR A 60 13.999 -15.454 3.674 1.00 0.00 H new ATOM 0 HA TYR A 60 13.798 -15.549 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.090 -13.165 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.556 -13.577 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.832 -13.437 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.625 -13.503 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.697 -12.944 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.489 -13.014 0.715 1.00 0.00 H new ATOM 0 HH TYR A 60 11.555 -12.627 -0.329 1.00 0.00 H new ATOM 921 N ALA A 61 11.124 -15.997 4.848 1.00 0.00 N ATOM 922 CA ALA A 61 9.672 -16.299 4.984 1.00 0.00 C ATOM 923 C ALA A 61 9.452 -17.319 6.101 1.00 0.00 C ATOM 924 O ALA A 61 8.463 -17.279 6.806 1.00 0.00 O ATOM 925 CB ALA A 61 9.260 -16.885 3.632 1.00 0.00 C ATOM 0 H ALA A 61 11.515 -16.150 3.918 1.00 0.00 H new ATOM 0 HA ALA A 61 9.086 -15.416 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.199 -17.134 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.446 -16.153 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.841 -17.786 3.434 1.00 0.00 H new ATOM 931 N ALA A 62 10.369 -18.231 6.273 1.00 0.00 N ATOM 932 CA ALA A 62 10.211 -19.247 7.352 1.00 0.00 C ATOM 933 C ALA A 62 10.332 -18.575 8.718 1.00 0.00 C ATOM 934 O ALA A 62 9.655 -18.927 9.664 1.00 0.00 O ATOM 935 CB ALA A 62 11.352 -20.241 7.136 1.00 0.00 C ATOM 0 H ALA A 62 11.218 -18.317 5.715 1.00 0.00 H new ATOM 0 HA ALA A 62 9.239 -19.739 7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.303 -21.022 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.261 -20.690 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.307 -19.721 7.212 1.00 0.00 H new ATOM 941 N PHE A 63 11.190 -17.607 8.817 1.00 0.00 N ATOM 942 CA PHE A 63 11.375 -16.888 10.110 1.00 0.00 C ATOM 943 C PHE A 63 10.167 -15.992 10.402 1.00 0.00 C ATOM 944 O PHE A 63 9.769 -15.822 11.537 1.00 0.00 O ATOM 945 CB PHE A 63 12.635 -16.045 9.912 1.00 0.00 C ATOM 946 CG PHE A 63 12.766 -15.059 11.048 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.334 -15.408 12.332 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.322 -13.795 10.815 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.458 -14.493 13.385 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.445 -12.881 11.868 1.00 0.00 C ATOM 951 CZ PHE A 63 13.014 -13.230 13.154 1.00 0.00 C ATOM 0 H PHE A 63 11.779 -17.276 8.053 1.00 0.00 H new ATOM 0 HA PHE A 63 11.467 -17.572 10.953 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.514 -16.689 9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.585 -15.515 8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.905 -16.383 12.511 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.656 -13.526 9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.124 -14.763 14.376 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.873 -11.906 11.689 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.111 -12.525 13.966 1.00 0.00 H new ATOM 961 N SER A 64 9.586 -15.412 9.386 1.00 0.00 N ATOM 962 CA SER A 64 8.411 -14.519 9.606 1.00 0.00 C ATOM 963 C SER A 64 7.299 -15.266 10.349 1.00 0.00 C ATOM 964 O SER A 64 6.763 -14.786 11.329 1.00 0.00 O ATOM 965 CB SER A 64 7.947 -14.127 8.205 1.00 0.00 C ATOM 966 OG SER A 64 9.082 -13.925 7.373 1.00 0.00 O ATOM 0 H SER A 64 9.874 -15.518 8.413 1.00 0.00 H new ATOM 0 HA SER A 64 8.665 -13.650 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.311 -14.908 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.348 -13.218 8.249 1.00 0.00 H new ATOM 0 HG SER A 64 8.799 -13.523 6.525 1.00 0.00 H new ATOM 972 N SER A 65 6.945 -16.433 9.888 1.00 0.00 N ATOM 973 CA SER A 65 5.863 -17.206 10.563 1.00 0.00 C ATOM 974 C SER A 65 6.305 -17.633 11.966 1.00 0.00 C ATOM 975 O SER A 65 5.514 -17.683 12.887 1.00 0.00 O ATOM 976 CB SER A 65 5.641 -18.430 9.676 1.00 0.00 C ATOM 977 OG SER A 65 4.994 -18.030 8.475 1.00 0.00 O ATOM 0 H SER A 65 7.358 -16.886 9.073 1.00 0.00 H new ATOM 0 HA SER A 65 4.953 -16.618 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.595 -18.905 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.034 -19.168 10.201 1.00 0.00 H new ATOM 0 HG SER A 65 4.852 -18.813 7.903 1.00 0.00 H new ATOM 983 N ALA A 66 7.559 -17.950 12.132 1.00 0.00 N ATOM 984 CA ALA A 66 8.047 -18.385 13.474 1.00 0.00 C ATOM 985 C ALA A 66 8.153 -17.191 14.429 1.00 0.00 C ATOM 986 O ALA A 66 7.843 -17.296 15.599 1.00 0.00 O ATOM 987 CB ALA A 66 9.429 -18.984 13.213 1.00 0.00 C ATOM 0 H ALA A 66 8.267 -17.927 11.399 1.00 0.00 H new ATOM 0 HA ALA A 66 7.368 -19.098 13.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.859 -19.330 14.153 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.337 -19.825 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.077 -18.225 12.774 1.00 0.00 H new ATOM 993 N LEU A 67 8.597 -16.062 13.948 1.00 0.00 N ATOM 994 CA LEU A 67 8.728 -14.875 14.843 1.00 0.00 C ATOM 995 C LEU A 67 7.346 -14.310 15.187 1.00 0.00 C ATOM 996 O LEU A 67 7.079 -13.927 16.309 1.00 0.00 O ATOM 997 CB LEU A 67 9.586 -13.873 14.048 1.00 0.00 C ATOM 998 CG LEU A 67 8.730 -12.784 13.382 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.261 -11.781 14.438 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.572 -12.054 12.334 1.00 0.00 C ATOM 0 H LEU A 67 8.874 -15.909 12.978 1.00 0.00 H new ATOM 0 HA LEU A 67 9.192 -15.115 15.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.311 -13.407 14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.152 -14.406 13.285 1.00 0.00 H new ATOM 0 HG LEU A 67 7.863 -13.243 12.907 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.654 -11.010 13.963 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.667 -12.297 15.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.127 -11.320 14.912 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.970 -11.280 11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.436 -11.596 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.911 -12.765 11.580 1.00 0.00 H new ATOM 1012 N TYR A 68 6.472 -14.254 14.227 1.00 0.00 N ATOM 1013 CA TYR A 68 5.107 -13.713 14.489 1.00 0.00 C ATOM 1014 C TYR A 68 4.118 -14.860 14.716 1.00 0.00 C ATOM 1015 O TYR A 68 2.931 -14.649 14.859 1.00 0.00 O ATOM 1016 CB TYR A 68 4.743 -12.930 13.228 1.00 0.00 C ATOM 1017 CG TYR A 68 5.017 -11.462 13.449 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.431 -10.795 14.531 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.859 -10.767 12.572 1.00 0.00 C ATOM 1020 CE1 TYR A 68 4.686 -9.434 14.736 1.00 0.00 C ATOM 1021 CE2 TYR A 68 6.114 -9.406 12.777 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.528 -8.740 13.859 1.00 0.00 C ATOM 1023 OH TYR A 68 5.779 -7.398 14.062 1.00 0.00 O ATOM 0 H TYR A 68 6.641 -14.559 13.269 1.00 0.00 H new ATOM 0 HA TYR A 68 5.074 -13.086 15.380 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.323 -13.295 12.380 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.692 -13.082 12.984 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.782 -11.331 15.208 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.312 -11.281 11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.233 -8.919 15.571 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.763 -8.870 12.100 1.00 0.00 H new ATOM 0 HH TYR A 68 6.384 -7.069 13.365 1.00 0.00 H new ATOM 1105 N LYS B 8 12.870 3.046 -1.284 1.00 0.00 N ATOM 1106 CA LYS B 8 11.961 2.342 -0.334 1.00 0.00 C ATOM 1107 C LYS B 8 12.740 1.285 0.454 1.00 0.00 C ATOM 1108 O LYS B 8 12.213 0.648 1.344 1.00 0.00 O ATOM 1109 CB LYS B 8 10.897 1.684 -1.212 1.00 0.00 C ATOM 1110 CG LYS B 8 11.575 0.911 -2.344 1.00 0.00 C ATOM 1111 CD LYS B 8 10.524 0.119 -3.124 1.00 0.00 C ATOM 1112 CE LYS B 8 10.175 0.864 -4.414 1.00 0.00 C ATOM 1113 NZ LYS B 8 11.406 0.785 -5.248 1.00 0.00 N ATOM 0 HA LYS B 8 11.519 3.021 0.395 1.00 0.00 H new ATOM 0 HB2 LYS B 8 10.283 1.010 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.230 2.442 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS B 8 12.094 1.601 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS B 8 12.327 0.235 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.903 -0.876 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.629 -0.015 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.326 0.403 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.902 1.899 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 11.950 1.666 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.987 -0.018 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 11.142 0.652 -6.245 1.00 0.00 H new ATOM 1127 N LYS B 9 13.990 1.095 0.134 1.00 0.00 N ATOM 1128 CA LYS B 9 14.800 0.081 0.869 1.00 0.00 C ATOM 1129 C LYS B 9 14.911 0.470 2.344 1.00 0.00 C ATOM 1130 O LYS B 9 14.735 -0.346 3.226 1.00 0.00 O ATOM 1131 CB LYS B 9 16.174 0.107 0.199 1.00 0.00 C ATOM 1132 CG LYS B 9 16.707 -1.322 0.075 1.00 0.00 C ATOM 1133 CD LYS B 9 18.236 -1.296 0.035 1.00 0.00 C ATOM 1134 CE LYS B 9 18.707 -1.085 -1.405 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.188 -1.244 -1.351 1.00 0.00 N ATOM 0 H LYS B 9 14.486 1.596 -0.603 1.00 0.00 H new ATOM 0 HA LYS B 9 14.353 -0.912 0.834 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.101 0.566 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.864 0.715 0.784 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.365 -1.923 0.918 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.317 -1.789 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.613 -0.497 0.673 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.636 -2.231 0.426 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.256 -1.813 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.429 -0.097 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.586 -1.113 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.590 -0.533 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.423 -2.196 -1.006 1.00 0.00 H new ATOM 1149 N ALA B 10 15.197 1.714 2.620 1.00 0.00 N ATOM 1150 CA ALA B 10 15.312 2.153 4.039 1.00 0.00 C ATOM 1151 C ALA B 10 13.990 1.903 4.771 1.00 0.00 C ATOM 1152 O ALA B 10 13.969 1.520 5.923 1.00 0.00 O ATOM 1153 CB ALA B 10 15.615 3.650 3.970 1.00 0.00 C ATOM 0 H ALA B 10 15.356 2.443 1.925 1.00 0.00 H new ATOM 0 HA ALA B 10 16.086 1.609 4.581 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.714 4.048 4.980 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.545 3.808 3.425 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.802 4.163 3.456 1.00 0.00 H new ATOM 1159 N GLU B 11 12.885 2.114 4.107 1.00 0.00 N ATOM 1160 CA GLU B 11 11.567 1.883 4.762 1.00 0.00 C ATOM 1161 C GLU B 11 11.416 0.405 5.128 1.00 0.00 C ATOM 1162 O GLU B 11 10.961 0.063 6.201 1.00 0.00 O ATOM 1163 CB GLU B 11 10.528 2.287 3.714 1.00 0.00 C ATOM 1164 CG GLU B 11 9.281 2.832 4.411 1.00 0.00 C ATOM 1165 CD GLU B 11 8.208 3.150 3.367 1.00 0.00 C ATOM 1166 OE1 GLU B 11 7.874 2.262 2.602 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.741 4.277 3.352 1.00 0.00 O ATOM 0 H GLU B 11 12.839 2.436 3.140 1.00 0.00 H new ATOM 0 HA GLU B 11 11.456 2.453 5.685 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.944 3.043 3.048 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.266 1.427 3.097 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.902 2.101 5.125 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.531 3.730 4.976 1.00 0.00 H new ATOM 1174 N ALA B 12 11.797 -0.474 4.242 1.00 0.00 N ATOM 1175 CA ALA B 12 11.681 -1.932 4.538 1.00 0.00 C ATOM 1176 C ALA B 12 12.582 -2.302 5.718 1.00 0.00 C ATOM 1177 O ALA B 12 12.232 -3.118 6.548 1.00 0.00 O ATOM 1178 CB ALA B 12 12.152 -2.632 3.264 1.00 0.00 C ATOM 0 H ALA B 12 12.184 -0.247 3.326 1.00 0.00 H new ATOM 0 HA ALA B 12 10.666 -2.221 4.810 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.097 -3.712 3.401 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.514 -2.339 2.430 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.182 -2.345 3.051 1.00 0.00 H new ATOM 1184 N VAL B 13 13.739 -1.707 5.800 1.00 0.00 N ATOM 1185 CA VAL B 13 14.662 -2.020 6.927 1.00 0.00 C ATOM 1186 C VAL B 13 13.997 -1.672 8.261 1.00 0.00 C ATOM 1187 O VAL B 13 14.071 -2.418 9.217 1.00 0.00 O ATOM 1188 CB VAL B 13 15.887 -1.138 6.692 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.888 -1.338 7.832 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.544 -1.521 5.364 1.00 0.00 C ATOM 0 H VAL B 13 14.086 -1.016 5.134 1.00 0.00 H new ATOM 0 HA VAL B 13 14.925 -3.077 6.967 1.00 0.00 H new ATOM 0 HB VAL B 13 15.580 -0.093 6.658 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.762 -0.708 7.664 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.421 -1.065 8.778 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.195 -2.383 7.867 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.418 -0.892 5.196 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.850 -2.567 5.398 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.832 -1.378 4.551 1.00 0.00 H new ATOM 1200 N ALA B 14 13.346 -0.542 8.331 1.00 0.00 N ATOM 1201 CA ALA B 14 12.675 -0.144 9.601 1.00 0.00 C ATOM 1202 C ALA B 14 11.623 -1.186 9.991 1.00 0.00 C ATOM 1203 O ALA B 14 11.459 -1.514 11.149 1.00 0.00 O ATOM 1204 CB ALA B 14 12.015 1.200 9.293 1.00 0.00 C ATOM 0 H ALA B 14 13.250 0.123 7.563 1.00 0.00 H new ATOM 0 HA ALA B 14 13.373 -0.073 10.435 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.497 1.563 10.181 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.778 1.921 8.997 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.299 1.076 8.481 1.00 0.00 H new ATOM 1210 N THR B 15 10.909 -1.711 9.032 1.00 0.00 N ATOM 1211 CA THR B 15 9.871 -2.733 9.349 1.00 0.00 C ATOM 1212 C THR B 15 10.531 -4.002 9.896 1.00 0.00 C ATOM 1213 O THR B 15 10.134 -4.531 10.915 1.00 0.00 O ATOM 1214 CB THR B 15 9.178 -3.022 8.017 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.504 -1.853 7.572 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.171 -4.157 8.197 1.00 0.00 C ATOM 0 H THR B 15 11.000 -1.476 8.043 1.00 0.00 H new ATOM 0 HA THR B 15 9.168 -2.387 10.107 1.00 0.00 H new ATOM 0 HB THR B 15 9.923 -3.316 7.277 1.00 0.00 H new ATOM 0 HG1 THR B 15 8.061 -2.036 6.717 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.679 -4.361 7.246 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.690 -5.053 8.536 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.425 -3.868 8.937 1.00 0.00 H new ATOM 1224 N VAL B 16 11.537 -4.492 9.225 1.00 0.00 N ATOM 1225 CA VAL B 16 12.224 -5.725 9.704 1.00 0.00 C ATOM 1226 C VAL B 16 12.879 -5.471 11.063 1.00 0.00 C ATOM 1227 O VAL B 16 12.844 -6.305 11.946 1.00 0.00 O ATOM 1228 CB VAL B 16 13.286 -6.021 8.644 1.00 0.00 C ATOM 1229 CG1 VAL B 16 13.967 -7.353 8.961 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.624 -6.103 7.268 1.00 0.00 C ATOM 0 H VAL B 16 11.913 -4.092 8.365 1.00 0.00 H new ATOM 0 HA VAL B 16 11.534 -6.559 9.835 1.00 0.00 H new ATOM 0 HB VAL B 16 14.029 -5.224 8.643 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.724 -7.564 8.205 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.439 -7.296 9.942 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.224 -8.150 8.962 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.381 -6.314 6.512 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.880 -6.900 7.269 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.139 -5.154 7.041 1.00 0.00 H new ATOM 1240 N VAL B 17 13.479 -4.325 11.238 1.00 0.00 N ATOM 1241 CA VAL B 17 14.138 -4.017 12.541 1.00 0.00 C ATOM 1242 C VAL B 17 13.104 -4.011 13.670 1.00 0.00 C ATOM 1243 O VAL B 17 13.308 -4.595 14.716 1.00 0.00 O ATOM 1244 CB VAL B 17 14.741 -2.625 12.360 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.271 -2.120 13.703 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.890 -2.695 11.353 1.00 0.00 C ATOM 0 H VAL B 17 13.542 -3.588 10.535 1.00 0.00 H new ATOM 0 HA VAL B 17 14.893 -4.757 12.807 1.00 0.00 H new ATOM 0 HB VAL B 17 13.975 -1.942 11.992 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.701 -1.127 13.574 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.453 -2.071 14.422 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.037 -2.802 14.072 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.321 -1.702 11.223 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.656 -3.378 11.722 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.513 -3.055 10.396 1.00 0.00 H new ATOM 1256 N ALA B 18 11.996 -3.351 13.470 1.00 0.00 N ATOM 1257 CA ALA B 18 10.952 -3.303 14.534 1.00 0.00 C ATOM 1258 C ALA B 18 10.387 -4.703 14.792 1.00 0.00 C ATOM 1259 O ALA B 18 10.152 -5.090 15.920 1.00 0.00 O ATOM 1260 CB ALA B 18 9.866 -2.381 13.981 1.00 0.00 C ATOM 0 H ALA B 18 11.768 -2.843 12.616 1.00 0.00 H new ATOM 0 HA ALA B 18 11.349 -2.944 15.483 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.058 -2.293 14.708 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.289 -1.395 13.788 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.475 -2.796 13.052 1.00 0.00 H new ATOM 1266 N ALA B 19 10.162 -5.464 13.756 1.00 0.00 N ATOM 1267 CA ALA B 19 9.607 -6.836 13.945 1.00 0.00 C ATOM 1268 C ALA B 19 10.614 -7.721 14.683 1.00 0.00 C ATOM 1269 O ALA B 19 10.269 -8.437 15.602 1.00 0.00 O ATOM 1270 CB ALA B 19 9.367 -7.363 12.530 1.00 0.00 C ATOM 0 H ALA B 19 10.338 -5.196 12.788 1.00 0.00 H new ATOM 0 HA ALA B 19 8.694 -6.832 14.541 1.00 0.00 H new ATOM 0 HB1 ALA B 19 8.957 -8.372 12.582 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.662 -6.711 12.014 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.310 -7.382 11.984 1.00 0.00 H new ATOM 1276 N VAL B 20 11.856 -7.682 14.287 1.00 0.00 N ATOM 1277 CA VAL B 20 12.882 -8.525 14.966 1.00 0.00 C ATOM 1278 C VAL B 20 13.111 -8.036 16.399 1.00 0.00 C ATOM 1279 O VAL B 20 13.162 -8.816 17.330 1.00 0.00 O ATOM 1280 CB VAL B 20 14.151 -8.353 14.132 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.275 -9.198 14.735 1.00 0.00 C ATOM 1282 CG2 VAL B 20 13.885 -8.811 12.697 1.00 0.00 C ATOM 0 H VAL B 20 12.206 -7.103 13.523 1.00 0.00 H new ATOM 0 HA VAL B 20 12.576 -9.569 15.034 1.00 0.00 H new ATOM 0 HB VAL B 20 14.445 -7.303 14.130 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.181 -9.076 14.141 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.466 -8.873 15.758 1.00 0.00 H new ATOM 0 HG13 VAL B 20 14.981 -10.247 14.736 1.00 0.00 H new ATOM 0 HG21 VAL B 20 14.790 -8.688 12.102 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.591 -9.861 12.699 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.084 -8.211 12.266 1.00 0.00 H new ATOM 1292 N ASP B 21 13.253 -6.752 16.583 1.00 0.00 N ATOM 1293 CA ASP B 21 13.483 -6.215 17.955 1.00 0.00 C ATOM 1294 C ASP B 21 12.348 -6.644 18.890 1.00 0.00 C ATOM 1295 O ASP B 21 12.547 -6.842 20.073 1.00 0.00 O ATOM 1296 CB ASP B 21 13.494 -4.695 17.785 1.00 0.00 C ATOM 1297 CG ASP B 21 13.657 -4.028 19.152 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.291 -4.622 20.008 1.00 0.00 O ATOM 1299 OD2 ASP B 21 13.144 -2.933 19.319 1.00 0.00 O ATOM 0 H ASP B 21 13.220 -6.051 15.843 1.00 0.00 H new ATOM 0 HA ASP B 21 14.410 -6.584 18.394 1.00 0.00 H new ATOM 0 HB2 ASP B 21 14.309 -4.399 17.125 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.567 -4.365 17.316 1.00 0.00 H new ATOM 1304 N GLN B 22 11.161 -6.788 18.370 1.00 0.00 N ATOM 1305 CA GLN B 22 10.012 -7.201 19.227 1.00 0.00 C ATOM 1306 C GLN B 22 10.314 -8.528 19.929 1.00 0.00 C ATOM 1307 O GLN B 22 10.148 -8.661 21.125 1.00 0.00 O ATOM 1308 CB GLN B 22 8.839 -7.365 18.260 1.00 0.00 C ATOM 1309 CG GLN B 22 7.528 -7.070 18.990 1.00 0.00 C ATOM 1310 CD GLN B 22 6.633 -6.204 18.103 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.076 -5.679 17.101 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.382 -6.031 18.432 1.00 0.00 N ATOM 0 H GLN B 22 10.935 -6.637 17.387 1.00 0.00 H new ATOM 0 HA GLN B 22 9.802 -6.472 20.010 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.956 -6.689 17.413 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.824 -8.379 17.859 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.020 -8.002 19.238 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.731 -6.558 19.931 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.010 -6.472 19.273 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.776 -5.455 17.848 1.00 0.00 H new ATOM 1321 N ALA B 23 10.751 -9.513 19.193 1.00 0.00 N ATOM 1322 CA ALA B 23 11.056 -10.834 19.817 1.00 0.00 C ATOM 1323 C ALA B 23 12.142 -10.685 20.888 1.00 0.00 C ATOM 1324 O ALA B 23 12.130 -11.367 21.893 1.00 0.00 O ATOM 1325 CB ALA B 23 11.554 -11.709 18.666 1.00 0.00 C ATOM 0 H ALA B 23 10.910 -9.461 18.187 1.00 0.00 H new ATOM 0 HA ALA B 23 10.185 -11.264 20.312 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.800 -12.701 19.044 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.775 -11.792 17.909 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.443 -11.258 18.224 1.00 0.00 H new ATOM 1331 N ARG B 24 13.082 -9.804 20.681 1.00 0.00 N ATOM 1332 CA ARG B 24 14.169 -9.623 21.688 1.00 0.00 C ATOM 1333 C ARG B 24 13.620 -8.962 22.957 1.00 0.00 C ATOM 1334 O ARG B 24 14.062 -9.242 24.054 1.00 0.00 O ATOM 1335 CB ARG B 24 15.189 -8.709 21.009 1.00 0.00 C ATOM 1336 CG ARG B 24 16.278 -8.323 22.013 1.00 0.00 C ATOM 1337 CD ARG B 24 17.631 -8.842 21.522 1.00 0.00 C ATOM 1338 NE ARG B 24 18.515 -8.800 22.719 1.00 0.00 N ATOM 1339 CZ ARG B 24 19.813 -8.853 22.580 1.00 0.00 C ATOM 1340 NH1 ARG B 24 20.345 -8.952 21.392 1.00 0.00 N ATOM 1341 NH2 ARG B 24 20.580 -8.808 23.634 1.00 0.00 N ATOM 0 H ARG B 24 13.146 -9.202 19.860 1.00 0.00 H new ATOM 0 HA ARG B 24 14.608 -10.573 21.992 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.633 -9.215 20.152 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.695 -7.814 20.630 1.00 0.00 H new ATOM 0 HG2 ARG B 24 16.313 -7.240 22.130 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.049 -8.742 22.993 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.546 -9.855 21.129 1.00 0.00 H new ATOM 0 HD3 ARG B 24 18.025 -8.220 20.718 1.00 0.00 H new ATOM 0 HE ARG B 24 18.106 -8.730 23.651 1.00 0.00 H new ATOM 0 HH11 ARG B 24 19.747 -8.988 20.567 1.00 0.00 H new ATOM 0 HH12 ARG B 24 21.359 -8.993 21.289 1.00 0.00 H new ATOM 0 HH21 ARG B 24 20.166 -8.732 24.563 1.00 0.00 H new ATOM 0 HH22 ARG B 24 21.594 -8.849 23.529 1.00 0.00 H new