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+ -139:sc= 0.821 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 15:sc= 0.433 USER MOD Single : A 6 THR OG1 : rot 35:sc= 0.811 USER MOD Single : A 9 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.9!) USER MOD Single : A 13 SER OG : rot 88:sc= 1.13 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.52! C(o=-5.5!,f=-7.2!) USER MOD Single : A 39 GLN : amide:sc=-0.00131 X(o=-0.0013,f=-0.085) USER MOD Single : A 40 TYR OH : rot 150:sc= -0.592 USER MOD Single : A 41 CYS SG : rot 75:sc= 0.783 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -144:sc= -5.53! (180deg=-8.46!) USER MOD Single : A 60 TYR OH : rot -178:sc= 0.06 USER MOD Single : A 64 SER OG : rot -80:sc= 0.191 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+ 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 86:sc= 0.877 USER MOD Single : B 22 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.868 -9.018 9.451 1.00 0.00 N ATOM 67 CA THR A 6 2.171 -8.677 10.091 1.00 0.00 C ATOM 68 C THR A 6 3.308 -9.463 9.431 1.00 0.00 C ATOM 69 O THR A 6 4.252 -8.895 8.920 1.00 0.00 O ATOM 70 CB THR A 6 2.012 -9.090 11.556 1.00 0.00 C ATOM 71 OG1 THR A 6 0.669 -8.867 11.965 1.00 0.00 O ATOM 72 CG2 THR A 6 2.957 -8.263 12.428 1.00 0.00 C ATOM 0 HA THR A 6 2.417 -7.620 9.989 1.00 0.00 H new ATOM 0 HB THR A 6 2.255 -10.147 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.064 -9.052 11.217 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.842 -8.559 13.471 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.986 -8.435 12.113 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.717 -7.205 12.322 1.00 0.00 H new ATOM 80 N ALA A 7 3.221 -10.766 9.433 1.00 0.00 N ATOM 81 CA ALA A 7 4.294 -11.588 8.802 1.00 0.00 C ATOM 82 C ALA A 7 4.397 -11.253 7.314 1.00 0.00 C ATOM 83 O ALA A 7 5.471 -11.036 6.789 1.00 0.00 O ATOM 84 CB ALA A 7 3.847 -13.037 8.997 1.00 0.00 C ATOM 0 H ALA A 7 2.453 -11.297 9.844 1.00 0.00 H new ATOM 0 HA ALA A 7 5.274 -11.404 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.586 -13.708 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.752 -13.248 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.884 -13.189 8.510 1.00 0.00 H new ATOM 90 N GLU A 8 3.287 -11.199 6.633 1.00 0.00 N ATOM 91 CA GLU A 8 3.322 -10.867 5.182 1.00 0.00 C ATOM 92 C GLU A 8 4.069 -9.549 4.977 1.00 0.00 C ATOM 93 O GLU A 8 4.790 -9.374 4.015 1.00 0.00 O ATOM 94 CB GLU A 8 1.856 -10.727 4.767 1.00 0.00 C ATOM 95 CG GLU A 8 1.747 -10.805 3.242 1.00 0.00 C ATOM 96 CD GLU A 8 0.640 -11.788 2.857 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.663 -12.900 3.356 1.00 0.00 O ATOM 98 OE2 GLU A 8 -0.212 -11.410 2.069 1.00 0.00 O ATOM 0 H GLU A 8 2.358 -11.370 7.018 1.00 0.00 H new ATOM 0 HA GLU A 8 3.834 -11.626 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.260 -11.516 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.455 -9.778 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.530 -9.819 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.697 -11.126 2.815 1.00 0.00 H new ATOM 105 N GLN A 9 3.906 -8.621 5.881 1.00 0.00 N ATOM 106 CA GLN A 9 4.614 -7.315 5.742 1.00 0.00 C ATOM 107 C GLN A 9 6.129 -7.535 5.783 1.00 0.00 C ATOM 108 O GLN A 9 6.865 -7.007 4.973 1.00 0.00 O ATOM 109 CB GLN A 9 4.157 -6.485 6.942 1.00 0.00 C ATOM 110 CG GLN A 9 4.533 -5.018 6.721 1.00 0.00 C ATOM 111 CD GLN A 9 3.542 -4.375 5.749 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.767 -5.061 5.113 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.533 -3.078 5.607 1.00 0.00 N ATOM 0 H GLN A 9 3.315 -8.710 6.708 1.00 0.00 H new ATOM 0 HA GLN A 9 4.389 -6.818 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.079 -6.579 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.623 -6.858 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.525 -4.483 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.545 -4.948 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.184 -2.502 6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.875 -2.640 4.962 1.00 0.00 H new ATOM 122 N VAL A 10 6.598 -8.315 6.720 1.00 0.00 N ATOM 123 CA VAL A 10 8.064 -8.573 6.809 1.00 0.00 C ATOM 124 C VAL A 10 8.566 -9.193 5.502 1.00 0.00 C ATOM 125 O VAL A 10 9.616 -8.845 5.000 1.00 0.00 O ATOM 126 CB VAL A 10 8.223 -9.559 7.967 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.710 -9.795 8.240 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.561 -8.981 9.220 1.00 0.00 C ATOM 0 H VAL A 10 6.030 -8.784 7.426 1.00 0.00 H new ATOM 0 HA VAL A 10 8.638 -7.661 6.971 1.00 0.00 H new ATOM 0 HB VAL A 10 7.749 -10.505 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.821 -10.498 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.183 -10.205 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.186 -8.850 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.673 -9.682 10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.037 -8.035 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.501 -8.814 9.027 1.00 0.00 H new ATOM 138 N ILE A 11 7.817 -10.105 4.945 1.00 0.00 N ATOM 139 CA ILE A 11 8.243 -10.740 3.667 1.00 0.00 C ATOM 140 C ILE A 11 8.433 -9.661 2.602 1.00 0.00 C ATOM 141 O ILE A 11 9.451 -9.600 1.943 1.00 0.00 O ATOM 142 CB ILE A 11 7.099 -11.680 3.290 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.034 -12.830 4.296 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.343 -12.244 1.889 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.629 -13.432 4.296 1.00 0.00 C ATOM 0 H ILE A 11 6.929 -10.437 5.320 1.00 0.00 H new ATOM 0 HA ILE A 11 9.188 -11.277 3.756 1.00 0.00 H new ATOM 0 HB ILE A 11 6.158 -11.130 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.768 -13.594 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.286 -12.469 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.527 -12.915 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.392 -11.426 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.284 -12.794 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.584 -14.251 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.905 -12.666 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.394 -13.808 3.300 1.00 0.00 H new ATOM 157 N ALA A 12 7.468 -8.796 2.443 1.00 0.00 N ATOM 158 CA ALA A 12 7.613 -7.711 1.435 1.00 0.00 C ATOM 159 C ALA A 12 8.862 -6.897 1.762 1.00 0.00 C ATOM 160 O ALA A 12 9.600 -6.487 0.887 1.00 0.00 O ATOM 161 CB ALA A 12 6.354 -6.854 1.583 1.00 0.00 C ATOM 0 H ALA A 12 6.591 -8.794 2.965 1.00 0.00 H new ATOM 0 HA ALA A 12 7.718 -8.086 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.389 -6.030 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.473 -7.465 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.303 -6.455 2.596 1.00 0.00 H new ATOM 167 N SER A 13 9.114 -6.679 3.024 1.00 0.00 N ATOM 168 CA SER A 13 10.326 -5.911 3.420 1.00 0.00 C ATOM 169 C SER A 13 11.574 -6.731 3.090 1.00 0.00 C ATOM 170 O SER A 13 12.563 -6.212 2.612 1.00 0.00 O ATOM 171 CB SER A 13 10.199 -5.711 4.930 1.00 0.00 C ATOM 172 OG SER A 13 8.855 -5.371 5.246 1.00 0.00 O ATOM 0 H SER A 13 8.532 -7.000 3.798 1.00 0.00 H new ATOM 0 HA SER A 13 10.410 -4.958 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.489 -6.621 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.874 -4.922 5.262 1.00 0.00 H new ATOM 0 HG SER A 13 8.336 -6.190 5.391 1.00 0.00 H new ATOM 178 N PHE A 14 11.530 -8.015 3.331 1.00 0.00 N ATOM 179 CA PHE A 14 12.713 -8.866 3.018 1.00 0.00 C ATOM 180 C PHE A 14 12.904 -8.944 1.502 1.00 0.00 C ATOM 181 O PHE A 14 14.009 -8.869 1.002 1.00 0.00 O ATOM 182 CB PHE A 14 12.377 -10.242 3.592 1.00 0.00 C ATOM 183 CG PHE A 14 12.930 -10.349 4.992 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.296 -10.147 5.223 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.075 -10.647 6.060 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.808 -10.244 6.523 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.587 -10.744 7.360 1.00 0.00 C ATOM 188 CZ PHE A 14 13.953 -10.542 7.591 1.00 0.00 C ATOM 0 H PHE A 14 10.731 -8.508 3.729 1.00 0.00 H new ATOM 0 HA PHE A 14 13.637 -8.470 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.297 -10.390 3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.799 -11.024 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.955 -9.916 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.021 -10.802 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.862 -10.089 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.928 -10.975 8.184 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.348 -10.616 8.594 1.00 0.00 H new ATOM 198 N ARG A 15 11.835 -9.081 0.766 1.00 0.00 N ATOM 199 CA ARG A 15 11.960 -9.148 -0.716 1.00 0.00 C ATOM 200 C ARG A 15 12.728 -7.925 -1.218 1.00 0.00 C ATOM 201 O ARG A 15 13.616 -8.030 -2.041 1.00 0.00 O ATOM 202 CB ARG A 15 10.524 -9.137 -1.243 1.00 0.00 C ATOM 203 CG ARG A 15 10.416 -10.076 -2.448 1.00 0.00 C ATOM 204 CD ARG A 15 8.948 -10.225 -2.854 1.00 0.00 C ATOM 205 NE ARG A 15 8.958 -10.194 -4.345 1.00 0.00 N ATOM 206 CZ ARG A 15 9.304 -11.256 -5.024 1.00 0.00 C ATOM 207 NH1 ARG A 15 9.644 -12.352 -4.401 1.00 0.00 N ATOM 208 NH2 ARG A 15 9.312 -11.220 -6.328 1.00 0.00 N ATOM 0 H ARG A 15 10.883 -9.149 1.126 1.00 0.00 H new ATOM 0 HA ARG A 15 12.501 -10.033 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.835 -9.453 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.238 -8.125 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.996 -9.681 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.836 -11.051 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.528 -11.159 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.341 -9.417 -2.446 1.00 0.00 H new ATOM 0 HE ARG A 15 8.694 -9.340 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.640 -12.381 -3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.913 -13.179 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.049 -10.364 -6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.582 -12.048 -6.859 1.00 0.00 H new ATOM 222 N ILE A 16 12.398 -6.764 -0.719 1.00 0.00 N ATOM 223 CA ILE A 16 13.113 -5.534 -1.160 1.00 0.00 C ATOM 224 C ILE A 16 14.595 -5.634 -0.790 1.00 0.00 C ATOM 225 O ILE A 16 15.463 -5.266 -1.556 1.00 0.00 O ATOM 226 CB ILE A 16 12.445 -4.388 -0.399 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.032 -4.169 -0.945 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.263 -3.109 -0.580 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.181 -3.463 0.112 1.00 0.00 C ATOM 0 H ILE A 16 11.665 -6.615 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 16 13.060 -5.386 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 16 12.392 -4.639 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.071 -3.570 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.581 -5.125 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.786 -2.293 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.270 -3.263 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.316 -2.858 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.175 -3.307 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.132 -4.079 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.629 -2.500 0.356 1.00 0.00 H new ATOM 241 N LEU A 17 14.892 -6.137 0.379 1.00 0.00 N ATOM 242 CA LEU A 17 16.318 -6.266 0.795 1.00 0.00 C ATOM 243 C LEU A 17 17.038 -7.260 -0.120 1.00 0.00 C ATOM 244 O LEU A 17 18.162 -7.044 -0.527 1.00 0.00 O ATOM 245 CB LEU A 17 16.269 -6.797 2.229 1.00 0.00 C ATOM 246 CG LEU A 17 16.462 -5.641 3.210 1.00 0.00 C ATOM 247 CD1 LEU A 17 17.889 -5.105 3.096 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.470 -4.524 2.883 1.00 0.00 C ATOM 0 H LEU A 17 14.209 -6.464 1.063 1.00 0.00 H new ATOM 0 HA LEU A 17 16.856 -5.320 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.314 -7.288 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.046 -7.547 2.377 1.00 0.00 H new ATOM 0 HG LEU A 17 16.289 -5.996 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.025 -4.281 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.596 -5.901 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.065 -4.751 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.607 -3.699 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.642 -4.170 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.452 -4.905 2.967 1.00 0.00 H new ATOM 260 N ALA A 18 16.396 -8.348 -0.446 1.00 0.00 N ATOM 261 CA ALA A 18 17.039 -9.356 -1.336 1.00 0.00 C ATOM 262 C ALA A 18 16.895 -8.936 -2.801 1.00 0.00 C ATOM 263 O ALA A 18 17.281 -9.652 -3.704 1.00 0.00 O ATOM 264 CB ALA A 18 16.282 -10.658 -1.073 1.00 0.00 C ATOM 0 H ALA A 18 15.454 -8.583 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 18 18.106 -9.460 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.698 -11.452 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.380 -10.930 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.228 -10.522 -1.316 1.00 0.00 H new ATOM 270 N SER A 19 16.341 -7.778 -3.045 1.00 0.00 N ATOM 271 CA SER A 19 16.173 -7.312 -4.451 1.00 0.00 C ATOM 272 C SER A 19 15.199 -8.227 -5.201 1.00 0.00 C ATOM 273 O SER A 19 15.565 -8.898 -6.146 1.00 0.00 O ATOM 274 CB SER A 19 17.567 -7.395 -5.067 1.00 0.00 C ATOM 275 OG SER A 19 17.621 -6.562 -6.219 1.00 0.00 O ATOM 0 H SER A 19 15.998 -7.135 -2.331 1.00 0.00 H new ATOM 0 HA SER A 19 15.764 -6.303 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.317 -7.081 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.797 -8.425 -5.338 1.00 0.00 H new ATOM 0 HG SER A 19 18.515 -6.611 -6.617 1.00 0.00 H new ATOM 281 N ASP A 20 13.962 -8.257 -4.788 1.00 0.00 N ATOM 282 CA ASP A 20 12.966 -9.127 -5.477 1.00 0.00 C ATOM 283 C ASP A 20 13.460 -10.576 -5.515 1.00 0.00 C ATOM 284 O ASP A 20 13.636 -11.153 -6.570 1.00 0.00 O ATOM 285 CB ASP A 20 12.858 -8.560 -6.893 1.00 0.00 C ATOM 286 CG ASP A 20 12.641 -7.047 -6.824 1.00 0.00 C ATOM 287 OD1 ASP A 20 13.566 -6.354 -6.432 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.555 -6.607 -7.163 1.00 0.00 O ATOM 0 H ASP A 20 13.597 -7.717 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 20 12.003 -9.135 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.765 -8.782 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.031 -9.033 -7.423 1.00 0.00 H new ATOM 293 N LYS A 21 13.682 -11.168 -4.373 1.00 0.00 N ATOM 294 CA LYS A 21 14.162 -12.579 -4.349 1.00 0.00 C ATOM 295 C LYS A 21 13.499 -13.338 -3.198 1.00 0.00 C ATOM 296 O LYS A 21 13.287 -12.792 -2.134 1.00 0.00 O ATOM 297 CB LYS A 21 15.672 -12.481 -4.131 1.00 0.00 C ATOM 298 CG LYS A 21 16.341 -11.997 -5.420 1.00 0.00 C ATOM 299 CD LYS A 21 17.781 -12.510 -5.473 1.00 0.00 C ATOM 300 CE LYS A 21 18.483 -11.936 -6.708 1.00 0.00 C ATOM 301 NZ LYS A 21 18.491 -13.049 -7.699 1.00 0.00 N ATOM 0 H LYS A 21 13.552 -10.737 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 21 13.920 -13.116 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.889 -11.792 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.073 -13.453 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.785 -12.354 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.330 -10.908 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.316 -12.218 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.789 -13.599 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.952 -11.066 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.496 -11.611 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.409 -13.073 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.336 -13.952 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.733 -12.899 -8.396 1.00 0.00 H new ATOM 315 N PRO A 22 13.198 -14.580 -3.456 1.00 0.00 N ATOM 316 CA PRO A 22 12.553 -15.401 -2.398 1.00 0.00 C ATOM 317 C PRO A 22 13.588 -15.821 -1.351 1.00 0.00 C ATOM 318 O PRO A 22 13.286 -16.537 -0.419 1.00 0.00 O ATOM 319 CB PRO A 22 12.002 -16.622 -3.136 1.00 0.00 C ATOM 320 CG PRO A 22 12.678 -16.627 -4.468 1.00 0.00 C ATOM 321 CD PRO A 22 13.065 -15.208 -4.774 1.00 0.00 C ATOM 0 HA PRO A 22 11.771 -14.859 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.212 -17.540 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.920 -16.557 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.557 -17.271 -4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.011 -17.018 -5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.999 -15.162 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.307 -14.710 -5.378 1.00 0.00 H new ATOM 329 N TYR A 23 14.808 -15.376 -1.498 1.00 0.00 N ATOM 330 CA TYR A 23 15.859 -15.750 -0.506 1.00 0.00 C ATOM 331 C TYR A 23 16.815 -14.574 -0.283 1.00 0.00 C ATOM 332 O TYR A 23 16.971 -13.719 -1.131 1.00 0.00 O ATOM 333 CB TYR A 23 16.598 -16.934 -1.129 1.00 0.00 C ATOM 334 CG TYR A 23 17.031 -16.576 -2.531 1.00 0.00 C ATOM 335 CD1 TYR A 23 16.162 -16.784 -3.608 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.304 -16.037 -2.752 1.00 0.00 C ATOM 337 CE1 TYR A 23 16.564 -16.453 -4.907 1.00 0.00 C ATOM 338 CE2 TYR A 23 18.707 -15.706 -4.052 1.00 0.00 C ATOM 339 CZ TYR A 23 17.837 -15.914 -5.129 1.00 0.00 C ATOM 340 OH TYR A 23 18.234 -15.586 -6.410 1.00 0.00 O ATOM 0 H TYR A 23 15.121 -14.773 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 23 15.436 -16.005 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.467 -17.193 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.950 -17.811 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.180 -17.200 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.975 -15.877 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.893 -16.613 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 23 19.689 -15.290 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 23 17.451 -15.563 -6.999 1.00 0.00 H new ATOM 350 N ILE A 24 17.454 -14.525 0.854 1.00 0.00 N ATOM 351 CA ILE A 24 18.396 -13.405 1.133 1.00 0.00 C ATOM 352 C ILE A 24 19.747 -13.960 1.605 1.00 0.00 C ATOM 353 O ILE A 24 19.814 -14.992 2.243 1.00 0.00 O ATOM 354 CB ILE A 24 17.699 -12.574 2.226 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.994 -11.088 2.003 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.186 -12.988 3.620 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.504 -10.851 2.036 1.00 0.00 C ATOM 0 H ILE A 24 17.364 -15.213 1.602 1.00 0.00 H new ATOM 0 HA ILE A 24 18.613 -12.798 0.254 1.00 0.00 H new ATOM 0 HB ILE A 24 16.625 -12.753 2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.587 -10.767 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.506 -10.491 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.680 -12.387 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.963 -14.042 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.262 -12.829 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.710 -9.792 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.899 -11.156 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.981 -11.436 1.250 1.00 0.00 H new ATOM 369 N LEU A 25 20.822 -13.287 1.295 1.00 0.00 N ATOM 370 CA LEU A 25 22.160 -13.785 1.727 1.00 0.00 C ATOM 371 C LEU A 25 22.547 -13.175 3.077 1.00 0.00 C ATOM 372 O LEU A 25 22.210 -12.048 3.380 1.00 0.00 O ATOM 373 CB LEU A 25 23.126 -13.327 0.633 1.00 0.00 C ATOM 374 CG LEU A 25 23.142 -14.358 -0.496 1.00 0.00 C ATOM 375 CD1 LEU A 25 21.854 -14.241 -1.312 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.346 -14.098 -1.406 1.00 0.00 C ATOM 0 H LEU A 25 20.832 -12.417 0.763 1.00 0.00 H new ATOM 0 HA LEU A 25 22.173 -14.867 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.821 -12.354 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 25 24.128 -13.207 1.045 1.00 0.00 H new ATOM 0 HG LEU A 25 23.214 -15.360 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.865 -14.976 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.996 -14.424 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.782 -13.239 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.359 -14.832 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.272 -13.096 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.265 -14.180 -0.826 1.00 0.00 H new ATOM 388 N ALA A 26 23.251 -13.915 3.890 1.00 0.00 N ATOM 389 CA ALA A 26 23.661 -13.383 5.222 1.00 0.00 C ATOM 390 C ALA A 26 24.584 -12.175 5.050 1.00 0.00 C ATOM 391 O ALA A 26 24.451 -11.180 5.735 1.00 0.00 O ATOM 392 CB ALA A 26 24.405 -14.537 5.896 1.00 0.00 C ATOM 0 H ALA A 26 23.560 -14.866 3.689 1.00 0.00 H new ATOM 0 HA ALA A 26 22.809 -13.047 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.741 -14.225 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.737 -15.393 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.268 -14.816 5.291 1.00 0.00 H new ATOM 398 N GLU A 27 25.516 -12.251 4.141 1.00 0.00 N ATOM 399 CA GLU A 27 26.441 -11.103 3.928 1.00 0.00 C ATOM 400 C GLU A 27 25.637 -9.839 3.620 1.00 0.00 C ATOM 401 O GLU A 27 25.955 -8.760 4.081 1.00 0.00 O ATOM 402 CB GLU A 27 27.288 -11.504 2.724 1.00 0.00 C ATOM 403 CG GLU A 27 28.509 -12.294 3.198 1.00 0.00 C ATOM 404 CD GLU A 27 28.064 -13.668 3.703 1.00 0.00 C ATOM 405 OE1 GLU A 27 27.724 -14.500 2.878 1.00 0.00 O ATOM 406 OE2 GLU A 27 28.070 -13.865 4.907 1.00 0.00 O ATOM 0 H GLU A 27 25.677 -13.057 3.537 1.00 0.00 H new ATOM 0 HA GLU A 27 27.053 -10.889 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.697 -12.107 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.606 -10.616 2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 27 29.221 -12.408 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 27 29.021 -11.751 3.993 1.00 0.00 H new ATOM 413 N GLU A 28 24.594 -9.968 2.850 1.00 0.00 N ATOM 414 CA GLU A 28 23.763 -8.778 2.515 1.00 0.00 C ATOM 415 C GLU A 28 23.126 -8.225 3.789 1.00 0.00 C ATOM 416 O GLU A 28 23.133 -7.035 4.034 1.00 0.00 O ATOM 417 CB GLU A 28 22.691 -9.304 1.559 1.00 0.00 C ATOM 418 CG GLU A 28 21.947 -8.127 0.925 1.00 0.00 C ATOM 419 CD GLU A 28 22.236 -8.088 -0.576 1.00 0.00 C ATOM 420 OE1 GLU A 28 23.348 -8.419 -0.956 1.00 0.00 O ATOM 421 OE2 GLU A 28 21.341 -7.728 -1.323 1.00 0.00 O ATOM 0 H GLU A 28 24.280 -10.847 2.437 1.00 0.00 H new ATOM 0 HA GLU A 28 24.342 -7.971 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.150 -9.917 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.991 -9.942 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 20.875 -8.226 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.260 -7.192 1.391 1.00 0.00 H new ATOM 428 N LEU A 29 22.583 -9.084 4.607 1.00 0.00 N ATOM 429 CA LEU A 29 21.951 -8.616 5.872 1.00 0.00 C ATOM 430 C LEU A 29 22.981 -7.864 6.716 1.00 0.00 C ATOM 431 O LEU A 29 22.661 -6.919 7.411 1.00 0.00 O ATOM 432 CB LEU A 29 21.509 -9.895 6.587 1.00 0.00 C ATOM 433 CG LEU A 29 20.020 -10.135 6.339 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.209 -8.989 6.946 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.761 -10.200 4.833 1.00 0.00 C ATOM 0 H LEU A 29 22.550 -10.092 4.453 1.00 0.00 H new ATOM 0 HA LEU A 29 21.116 -7.937 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.089 -10.744 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.700 -9.810 7.657 1.00 0.00 H new ATOM 0 HG LEU A 29 19.721 -11.075 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.147 -9.161 6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.395 -8.940 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.506 -8.048 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.700 -10.371 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 29 20.060 -9.259 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.339 -11.016 4.399 1.00 0.00 H new ATOM 447 N ARG A 30 24.216 -8.280 6.663 1.00 0.00 N ATOM 448 CA ARG A 30 25.273 -7.597 7.464 1.00 0.00 C ATOM 449 C ARG A 30 25.543 -6.192 6.916 1.00 0.00 C ATOM 450 O ARG A 30 25.842 -5.274 7.654 1.00 0.00 O ATOM 451 CB ARG A 30 26.514 -8.476 7.311 1.00 0.00 C ATOM 452 CG ARG A 30 26.644 -9.397 8.525 1.00 0.00 C ATOM 453 CD ARG A 30 27.902 -10.258 8.382 1.00 0.00 C ATOM 454 NE ARG A 30 29.038 -9.303 8.518 1.00 0.00 N ATOM 455 CZ ARG A 30 30.270 -9.732 8.434 1.00 0.00 C ATOM 456 NH1 ARG A 30 30.513 -10.999 8.231 1.00 0.00 N ATOM 457 NH2 ARG A 30 31.261 -8.890 8.554 1.00 0.00 N ATOM 0 H ARG A 30 24.540 -9.065 6.099 1.00 0.00 H new ATOM 0 HA ARG A 30 24.980 -7.476 8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.442 -9.068 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.404 -7.853 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.697 -8.806 9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.763 -10.033 8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.941 -11.031 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.926 -10.766 7.418 1.00 0.00 H new ATOM 0 HE ARG A 30 28.854 -8.312 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.740 -11.658 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 30 31.476 -11.330 8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 30 31.073 -7.900 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 30 32.223 -9.222 8.489 1.00 0.00 H new ATOM 471 N ARG A 31 25.456 -6.019 5.624 1.00 0.00 N ATOM 472 CA ARG A 31 25.727 -4.675 5.034 1.00 0.00 C ATOM 473 C ARG A 31 24.432 -3.876 4.866 1.00 0.00 C ATOM 474 O ARG A 31 24.444 -2.661 4.838 1.00 0.00 O ATOM 475 CB ARG A 31 26.346 -4.966 3.667 1.00 0.00 C ATOM 476 CG ARG A 31 27.263 -3.810 3.264 1.00 0.00 C ATOM 477 CD ARG A 31 28.440 -4.350 2.450 1.00 0.00 C ATOM 478 NE ARG A 31 29.490 -3.298 2.546 1.00 0.00 N ATOM 479 CZ ARG A 31 30.642 -3.465 1.954 1.00 0.00 C ATOM 480 NH1 ARG A 31 30.879 -4.555 1.275 1.00 0.00 N ATOM 481 NH2 ARG A 31 31.559 -2.541 2.042 1.00 0.00 N ATOM 0 H ARG A 31 25.210 -6.747 4.953 1.00 0.00 H new ATOM 0 HA ARG A 31 26.379 -4.079 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.912 -5.897 3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.562 -5.098 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.707 -3.079 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.628 -3.295 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.795 -5.299 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.154 -4.529 1.413 1.00 0.00 H new ATOM 0 HE ARG A 31 29.309 -2.445 3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.163 -5.279 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 31 31.780 -4.683 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 31 31.376 -1.689 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 31 32.459 -2.670 1.580 1.00 0.00 H new ATOM 495 N GLU A 32 23.318 -4.539 4.739 1.00 0.00 N ATOM 496 CA GLU A 32 22.034 -3.800 4.554 1.00 0.00 C ATOM 497 C GLU A 32 21.363 -3.509 5.901 1.00 0.00 C ATOM 498 O GLU A 32 20.566 -2.599 6.017 1.00 0.00 O ATOM 499 CB GLU A 32 21.162 -4.730 3.713 1.00 0.00 C ATOM 500 CG GLU A 32 21.303 -4.361 2.235 1.00 0.00 C ATOM 501 CD GLU A 32 22.776 -4.434 1.829 1.00 0.00 C ATOM 502 OE1 GLU A 32 23.362 -5.491 1.990 1.00 0.00 O ATOM 503 OE2 GLU A 32 23.292 -3.430 1.367 1.00 0.00 O ATOM 0 H GLU A 32 23.238 -5.556 4.755 1.00 0.00 H new ATOM 0 HA GLU A 32 22.191 -2.833 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.460 -5.767 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 32 20.120 -4.647 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.712 -5.041 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.916 -3.357 2.061 1.00 0.00 H new ATOM 510 N LEU A 33 21.664 -4.271 6.917 1.00 0.00 N ATOM 511 CA LEU A 33 21.024 -4.022 8.238 1.00 0.00 C ATOM 512 C LEU A 33 22.083 -3.923 9.338 1.00 0.00 C ATOM 513 O LEU A 33 23.199 -4.374 9.170 1.00 0.00 O ATOM 514 CB LEU A 33 20.125 -5.235 8.465 1.00 0.00 C ATOM 515 CG LEU A 33 18.670 -4.855 8.179 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.935 -6.058 7.586 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.986 -4.434 9.482 1.00 0.00 C ATOM 0 H LEU A 33 22.321 -5.050 6.889 1.00 0.00 H new ATOM 0 HA LEU A 33 20.467 -3.085 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.432 -6.055 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.225 -5.587 9.492 1.00 0.00 H new ATOM 0 HG LEU A 33 18.645 -4.027 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.899 -5.787 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.420 -6.360 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.961 -6.886 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.950 -4.163 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.012 -5.262 10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.508 -3.576 9.906 1.00 0.00 H new ATOM 529 N PRO A 34 21.691 -3.333 10.434 1.00 0.00 N ATOM 530 CA PRO A 34 22.646 -3.190 11.564 1.00 0.00 C ATOM 531 C PRO A 34 23.141 -4.567 12.017 1.00 0.00 C ATOM 532 O PRO A 34 22.399 -5.529 12.002 1.00 0.00 O ATOM 533 CB PRO A 34 21.834 -2.518 12.671 1.00 0.00 C ATOM 534 CG PRO A 34 20.653 -1.914 11.987 1.00 0.00 C ATOM 535 CD PRO A 34 20.390 -2.735 10.756 1.00 0.00 C ATOM 0 HA PRO A 34 23.530 -2.613 11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.524 -3.242 13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.423 -1.757 13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.784 -1.916 12.645 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.850 -0.875 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.636 -3.500 10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 34 20.023 -2.117 9.937 1.00 0.00 H new ATOM 543 N PRO A 35 24.386 -4.610 12.403 1.00 0.00 N ATOM 544 CA PRO A 35 24.958 -5.904 12.860 1.00 0.00 C ATOM 545 C PRO A 35 24.002 -6.596 13.837 1.00 0.00 C ATOM 546 O PRO A 35 23.951 -7.808 13.918 1.00 0.00 O ATOM 547 CB PRO A 35 26.259 -5.520 13.565 1.00 0.00 C ATOM 548 CG PRO A 35 26.134 -4.062 13.865 1.00 0.00 C ATOM 549 CD PRO A 35 25.217 -3.478 12.827 1.00 0.00 C ATOM 0 HA PRO A 35 25.122 -6.600 12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.396 -6.098 14.479 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.123 -5.718 12.930 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.732 -3.907 14.866 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.110 -3.577 13.835 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.611 -2.672 13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.777 -3.060 11.991 1.00 0.00 H new ATOM 557 N ASP A 36 23.247 -5.836 14.582 1.00 0.00 N ATOM 558 CA ASP A 36 22.300 -6.451 15.557 1.00 0.00 C ATOM 559 C ASP A 36 21.206 -7.233 14.824 1.00 0.00 C ATOM 560 O ASP A 36 20.900 -8.358 15.166 1.00 0.00 O ATOM 561 CB ASP A 36 21.694 -5.270 16.315 1.00 0.00 C ATOM 562 CG ASP A 36 21.364 -5.696 17.746 1.00 0.00 C ATOM 563 OD1 ASP A 36 20.919 -6.819 17.921 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.562 -4.893 18.643 1.00 0.00 O ATOM 0 H ASP A 36 23.244 -4.816 14.558 1.00 0.00 H new ATOM 0 HA ASP A 36 22.798 -7.156 16.222 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.393 -4.434 16.326 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.792 -4.925 15.810 1.00 0.00 H new ATOM 569 N GLN A 37 20.613 -6.647 13.821 1.00 0.00 N ATOM 570 CA GLN A 37 19.539 -7.360 13.072 1.00 0.00 C ATOM 571 C GLN A 37 20.134 -8.515 12.264 1.00 0.00 C ATOM 572 O GLN A 37 19.548 -9.574 12.152 1.00 0.00 O ATOM 573 CB GLN A 37 18.941 -6.305 12.144 1.00 0.00 C ATOM 574 CG GLN A 37 17.779 -5.602 12.848 1.00 0.00 C ATOM 575 CD GLN A 37 18.321 -4.732 13.984 1.00 0.00 C ATOM 576 OE1 GLN A 37 18.686 -3.593 13.771 1.00 0.00 O ATOM 577 NE2 GLN A 37 18.389 -5.223 15.191 1.00 0.00 N ATOM 0 H GLN A 37 20.825 -5.707 13.488 1.00 0.00 H new ATOM 0 HA GLN A 37 18.789 -7.793 13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.703 -5.578 11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.592 -6.772 11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.227 -4.987 12.137 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.079 -6.339 13.242 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.083 -6.179 15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.748 -4.651 15.955 1.00 0.00 H new ATOM 586 N ALA A 38 21.292 -8.318 11.698 1.00 0.00 N ATOM 587 CA ALA A 38 21.925 -9.403 10.893 1.00 0.00 C ATOM 588 C ALA A 38 22.075 -10.672 11.737 1.00 0.00 C ATOM 589 O ALA A 38 21.798 -11.765 11.286 1.00 0.00 O ATOM 590 CB ALA A 38 23.296 -8.854 10.499 1.00 0.00 C ATOM 0 H ALA A 38 21.829 -7.453 11.757 1.00 0.00 H new ATOM 0 HA ALA A 38 21.328 -9.673 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.827 -9.596 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 38 23.169 -7.942 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.871 -8.632 11.398 1.00 0.00 H new ATOM 596 N GLN A 39 22.515 -10.535 12.958 1.00 0.00 N ATOM 597 CA GLN A 39 22.685 -11.735 13.829 1.00 0.00 C ATOM 598 C GLN A 39 21.327 -12.384 14.111 1.00 0.00 C ATOM 599 O GLN A 39 21.177 -13.588 14.038 1.00 0.00 O ATOM 600 CB GLN A 39 23.305 -11.201 15.122 1.00 0.00 C ATOM 601 CG GLN A 39 24.038 -12.334 15.843 1.00 0.00 C ATOM 602 CD GLN A 39 25.549 -12.153 15.674 1.00 0.00 C ATOM 603 OE1 GLN A 39 26.101 -11.146 16.069 1.00 0.00 O ATOM 604 NE2 GLN A 39 26.245 -13.095 15.099 1.00 0.00 N ATOM 0 H GLN A 39 22.764 -9.646 13.391 1.00 0.00 H new ATOM 0 HA GLN A 39 23.308 -12.498 13.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 23.998 -10.390 14.898 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.529 -10.788 15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.777 -12.335 16.901 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.729 -13.297 15.438 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.782 -13.941 14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 39 27.252 -12.985 14.981 1.00 0.00 H new ATOM 613 N TYR A 40 20.336 -11.598 14.435 1.00 0.00 N ATOM 614 CA TYR A 40 18.991 -12.172 14.723 1.00 0.00 C ATOM 615 C TYR A 40 18.400 -12.805 13.461 1.00 0.00 C ATOM 616 O TYR A 40 17.898 -13.912 13.485 1.00 0.00 O ATOM 617 CB TYR A 40 18.140 -10.984 15.171 1.00 0.00 C ATOM 618 CG TYR A 40 17.934 -11.046 16.665 1.00 0.00 C ATOM 619 CD1 TYR A 40 16.890 -11.810 17.197 1.00 0.00 C ATOM 620 CD2 TYR A 40 18.789 -10.338 17.519 1.00 0.00 C ATOM 621 CE1 TYR A 40 16.699 -11.868 18.582 1.00 0.00 C ATOM 622 CE2 TYR A 40 18.598 -10.395 18.904 1.00 0.00 C ATOM 623 CZ TYR A 40 17.553 -11.160 19.436 1.00 0.00 C ATOM 624 OH TYR A 40 17.366 -11.217 20.802 1.00 0.00 O ATOM 0 H TYR A 40 20.400 -10.583 14.513 1.00 0.00 H new ATOM 0 HA TYR A 40 19.033 -12.955 15.480 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.630 -10.049 14.899 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.177 -10.999 14.660 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.231 -12.356 16.538 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.595 -9.748 17.109 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.893 -12.459 18.992 1.00 0.00 H new ATOM 0 HE2 TYR A 40 19.257 -9.849 19.563 1.00 0.00 H new ATOM 0 HH TYR A 40 18.229 -11.111 21.255 1.00 0.00 H new ATOM 634 N CYS A 41 18.452 -12.109 12.358 1.00 0.00 N ATOM 635 CA CYS A 41 17.890 -12.667 11.094 1.00 0.00 C ATOM 636 C CYS A 41 18.688 -13.898 10.649 1.00 0.00 C ATOM 637 O CYS A 41 18.129 -14.891 10.228 1.00 0.00 O ATOM 638 CB CYS A 41 18.028 -11.539 10.070 1.00 0.00 C ATOM 639 SG CYS A 41 17.175 -10.064 10.679 1.00 0.00 S ATOM 0 H CYS A 41 18.860 -11.177 12.277 1.00 0.00 H new ATOM 0 HA CYS A 41 16.856 -12.990 11.212 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.081 -11.318 9.897 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.606 -11.848 9.114 1.00 0.00 H new ATOM 0 HG CYS A 41 17.880 -9.513 11.622 1.00 0.00 H new ATOM 645 N ILE A 42 19.989 -13.838 10.733 1.00 0.00 N ATOM 646 CA ILE A 42 20.819 -15.004 10.309 1.00 0.00 C ATOM 647 C ILE A 42 20.685 -16.152 11.313 1.00 0.00 C ATOM 648 O ILE A 42 21.033 -17.281 11.028 1.00 0.00 O ATOM 649 CB ILE A 42 22.255 -14.480 10.290 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.421 -13.492 9.134 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.221 -15.651 10.102 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.829 -12.895 9.174 1.00 0.00 C ATOM 0 H ILE A 42 20.514 -13.033 11.076 1.00 0.00 H new ATOM 0 HA ILE A 42 20.510 -15.395 9.340 1.00 0.00 H new ATOM 0 HB ILE A 42 22.472 -13.977 11.232 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.255 -13.997 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.676 -12.700 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.245 -15.279 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.102 -16.356 10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.005 -16.153 9.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.949 -12.191 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.977 -12.375 10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.565 -13.693 9.079 1.00 0.00 H new ATOM 664 N LYS A 43 20.188 -15.874 12.485 1.00 0.00 N ATOM 665 CA LYS A 43 20.038 -16.951 13.507 1.00 0.00 C ATOM 666 C LYS A 43 18.724 -17.704 13.294 1.00 0.00 C ATOM 667 O LYS A 43 18.532 -18.793 13.797 1.00 0.00 O ATOM 668 CB LYS A 43 20.026 -16.219 14.847 1.00 0.00 C ATOM 669 CG LYS A 43 19.978 -17.239 15.988 1.00 0.00 C ATOM 670 CD LYS A 43 21.400 -17.542 16.464 1.00 0.00 C ATOM 671 CE LYS A 43 21.416 -18.888 17.194 1.00 0.00 C ATOM 672 NZ LYS A 43 22.847 -19.300 17.209 1.00 0.00 N ATOM 0 H LYS A 43 19.879 -14.948 12.781 1.00 0.00 H new ATOM 0 HA LYS A 43 20.837 -17.690 13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.915 -15.595 14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.163 -15.555 14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.383 -16.849 16.813 1.00 0.00 H new ATOM 0 HG3 LYS A 43 19.493 -18.155 15.650 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.082 -17.569 15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.749 -16.751 17.128 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.022 -18.793 18.206 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.799 -19.624 16.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 22.940 -20.216 17.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.193 -19.389 16.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 23.409 -18.584 17.712 1.00 0.00 H new ATOM 686 N ARG A 44 17.815 -17.127 12.561 1.00 0.00 N ATOM 687 CA ARG A 44 16.509 -17.805 12.322 1.00 0.00 C ATOM 688 C ARG A 44 16.448 -18.370 10.897 1.00 0.00 C ATOM 689 O ARG A 44 16.410 -19.569 10.712 1.00 0.00 O ATOM 690 CB ARG A 44 15.463 -16.713 12.525 1.00 0.00 C ATOM 691 CG ARG A 44 15.209 -16.529 14.023 1.00 0.00 C ATOM 692 CD ARG A 44 13.786 -16.014 14.247 1.00 0.00 C ATOM 693 NE ARG A 44 13.289 -16.766 15.432 1.00 0.00 N ATOM 694 CZ ARG A 44 13.693 -16.442 16.631 1.00 0.00 C ATOM 695 NH1 ARG A 44 14.529 -15.453 16.799 1.00 0.00 N ATOM 696 NH2 ARG A 44 13.258 -17.109 17.666 1.00 0.00 N ATOM 0 H ARG A 44 17.919 -16.215 12.116 1.00 0.00 H new ATOM 0 HA ARG A 44 16.350 -18.650 12.992 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.807 -15.777 12.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.537 -16.982 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.349 -17.476 14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.930 -15.826 14.440 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.779 -14.939 14.429 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.159 -16.193 13.374 1.00 0.00 H new ATOM 0 HE ARG A 44 12.632 -17.536 15.307 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.869 -14.930 15.992 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.842 -15.203 17.737 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.604 -17.881 17.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.572 -16.858 18.603 1.00 0.00 H new ATOM 710 N MET A 45 16.436 -17.512 9.899 1.00 0.00 N ATOM 711 CA MET A 45 16.381 -17.976 8.475 1.00 0.00 C ATOM 712 C MET A 45 16.978 -19.379 8.318 1.00 0.00 C ATOM 713 O MET A 45 18.175 -19.559 8.424 1.00 0.00 O ATOM 714 CB MET A 45 17.232 -16.960 7.713 1.00 0.00 C ATOM 715 CG MET A 45 16.492 -16.517 6.453 1.00 0.00 C ATOM 716 SD MET A 45 17.103 -14.896 5.932 1.00 0.00 S ATOM 717 CE MET A 45 16.197 -13.914 7.152 1.00 0.00 C ATOM 0 H MET A 45 16.462 -16.499 10.015 1.00 0.00 H new ATOM 0 HA MET A 45 15.356 -18.037 8.111 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.442 -16.098 8.346 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.193 -17.401 7.447 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.640 -17.246 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.420 -16.469 6.646 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.886 -12.971 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.317 -14.466 7.482 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.841 -13.713 8.008 1.00 0.00 H new ATOM 727 N PRO A 46 16.116 -20.329 8.069 1.00 0.00 N ATOM 728 CA PRO A 46 16.611 -21.720 7.901 1.00 0.00 C ATOM 729 C PRO A 46 17.192 -21.909 6.498 1.00 0.00 C ATOM 730 O PRO A 46 17.414 -20.958 5.774 1.00 0.00 O ATOM 731 CB PRO A 46 15.377 -22.602 8.101 1.00 0.00 C ATOM 732 CG PRO A 46 14.203 -21.682 8.026 1.00 0.00 C ATOM 733 CD PRO A 46 14.688 -20.308 8.400 1.00 0.00 C ATOM 0 HA PRO A 46 17.406 -21.967 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.319 -23.373 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.413 -23.112 9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.780 -21.680 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.414 -22.009 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.161 -19.534 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.527 -20.103 9.458 1.00 0.00 H new ATOM 859 N ALA A 57 21.939 -19.241 0.308 1.00 0.00 N ATOM 860 CA ALA A 57 20.773 -18.318 0.404 1.00 0.00 C ATOM 861 C ALA A 57 19.815 -18.792 1.500 1.00 0.00 C ATOM 862 O ALA A 57 19.300 -19.891 1.455 1.00 0.00 O ATOM 863 CB ALA A 57 20.096 -18.387 -0.965 1.00 0.00 C ATOM 0 HA ALA A 57 21.072 -17.301 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.225 -17.732 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.798 -18.067 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 57 19.781 -19.411 -1.164 1.00 0.00 H new ATOM 869 N LEU A 58 19.573 -17.970 2.484 1.00 0.00 N ATOM 870 CA LEU A 58 18.649 -18.369 3.583 1.00 0.00 C ATOM 871 C LEU A 58 17.228 -17.895 3.269 1.00 0.00 C ATOM 872 O LEU A 58 17.027 -17.010 2.460 1.00 0.00 O ATOM 873 CB LEU A 58 19.187 -17.666 4.831 1.00 0.00 C ATOM 874 CG LEU A 58 20.544 -18.264 5.214 1.00 0.00 C ATOM 875 CD1 LEU A 58 20.446 -19.791 5.215 1.00 0.00 C ATOM 876 CD2 LEU A 58 21.601 -17.823 4.198 1.00 0.00 C ATOM 0 H LEU A 58 19.976 -17.037 2.574 1.00 0.00 H new ATOM 0 HA LEU A 58 18.604 -19.450 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.290 -16.597 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.483 -17.778 5.656 1.00 0.00 H new ATOM 0 HG LEU A 58 20.827 -17.916 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.411 -20.217 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 58 19.693 -20.107 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.164 -20.138 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.567 -18.248 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.318 -18.171 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.671 -16.735 4.195 1.00 0.00 H new ATOM 888 N ASP A 59 16.240 -18.470 3.898 1.00 0.00 N ATOM 889 CA ASP A 59 14.839 -18.034 3.620 1.00 0.00 C ATOM 890 C ASP A 59 14.291 -17.202 4.779 1.00 0.00 C ATOM 891 O ASP A 59 14.013 -17.715 5.845 1.00 0.00 O ATOM 892 CB ASP A 59 14.018 -19.320 3.474 1.00 0.00 C ATOM 893 CG ASP A 59 14.439 -20.333 4.541 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.170 -20.082 5.704 1.00 0.00 O ATOM 895 OD2 ASP A 59 15.021 -21.342 4.177 1.00 0.00 O ATOM 0 H ASP A 59 16.338 -19.216 4.586 1.00 0.00 H new ATOM 0 HA ASP A 59 14.793 -17.415 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.956 -19.096 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.164 -19.744 2.480 1.00 0.00 H new ATOM 900 N TYR A 60 14.104 -15.928 4.570 1.00 0.00 N ATOM 901 CA TYR A 60 13.545 -15.073 5.651 1.00 0.00 C ATOM 902 C TYR A 60 12.038 -15.309 5.732 1.00 0.00 C ATOM 903 O TYR A 60 11.405 -15.030 6.727 1.00 0.00 O ATOM 904 CB TYR A 60 13.846 -13.635 5.225 1.00 0.00 C ATOM 905 CG TYR A 60 13.139 -13.335 3.925 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.770 -13.042 3.922 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.854 -13.349 2.722 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.115 -12.765 2.716 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.199 -13.072 1.515 1.00 0.00 C ATOM 910 CZ TYR A 60 11.830 -12.780 1.512 1.00 0.00 C ATOM 911 OH TYR A 60 11.186 -12.507 0.323 1.00 0.00 O ATOM 0 H TYR A 60 14.314 -15.444 3.697 1.00 0.00 H new ATOM 0 HA TYR A 60 13.971 -15.290 6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.519 -12.940 5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.921 -13.497 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.219 -13.030 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.910 -13.573 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.059 -12.540 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.750 -13.084 0.586 1.00 0.00 H new ATOM 0 HH TYR A 60 11.821 -12.590 -0.419 1.00 0.00 H new ATOM 921 N ALA A 61 11.459 -15.841 4.692 1.00 0.00 N ATOM 922 CA ALA A 61 9.998 -16.113 4.730 1.00 0.00 C ATOM 923 C ALA A 61 9.703 -16.998 5.934 1.00 0.00 C ATOM 924 O ALA A 61 8.759 -16.778 6.666 1.00 0.00 O ATOM 925 CB ALA A 61 9.688 -16.847 3.424 1.00 0.00 C ATOM 0 H ALA A 61 11.931 -16.097 3.825 1.00 0.00 H new ATOM 0 HA ALA A 61 9.395 -15.210 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.624 -17.081 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.954 -16.213 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.265 -17.771 3.380 1.00 0.00 H new ATOM 931 N ALA A 62 10.526 -17.986 6.165 1.00 0.00 N ATOM 932 CA ALA A 62 10.308 -18.863 7.347 1.00 0.00 C ATOM 933 C ALA A 62 10.414 -18.020 8.617 1.00 0.00 C ATOM 934 O ALA A 62 9.765 -18.273 9.612 1.00 0.00 O ATOM 935 CB ALA A 62 11.426 -19.905 7.288 1.00 0.00 C ATOM 0 H ALA A 62 11.334 -18.221 5.589 1.00 0.00 H new ATOM 0 HA ALA A 62 9.328 -19.339 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.330 -20.589 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.352 -20.465 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.393 -19.404 7.335 1.00 0.00 H new ATOM 941 N PHE A 63 11.238 -17.012 8.573 1.00 0.00 N ATOM 942 CA PHE A 63 11.417 -16.119 9.756 1.00 0.00 C ATOM 943 C PHE A 63 10.091 -15.448 10.124 1.00 0.00 C ATOM 944 O PHE A 63 9.747 -15.329 11.282 1.00 0.00 O ATOM 945 CB PHE A 63 12.435 -15.072 9.300 1.00 0.00 C ATOM 946 CG PHE A 63 12.919 -14.268 10.483 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.119 -13.247 11.010 1.00 0.00 C ATOM 948 CD2 PHE A 63 14.170 -14.538 11.045 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.571 -12.497 12.101 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.623 -13.786 12.136 1.00 0.00 C ATOM 951 CZ PHE A 63 13.825 -12.767 12.664 1.00 0.00 C ATOM 0 H PHE A 63 11.802 -16.764 7.760 1.00 0.00 H new ATOM 0 HA PHE A 63 11.750 -16.664 10.639 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.279 -15.562 8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.982 -14.410 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.153 -13.038 10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.787 -15.326 10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.954 -11.710 12.509 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.590 -13.994 12.570 1.00 0.00 H new ATOM 0 HZ PHE A 63 14.175 -12.188 13.506 1.00 0.00 H new ATOM 961 N SER A 64 9.346 -15.000 9.148 1.00 0.00 N ATOM 962 CA SER A 64 8.049 -14.331 9.456 1.00 0.00 C ATOM 963 C SER A 64 7.091 -15.310 10.138 1.00 0.00 C ATOM 964 O SER A 64 6.526 -15.020 11.175 1.00 0.00 O ATOM 965 CB SER A 64 7.496 -13.897 8.099 1.00 0.00 C ATOM 966 OG SER A 64 6.762 -14.972 7.527 1.00 0.00 O ATOM 0 H SER A 64 9.578 -15.068 8.157 1.00 0.00 H new ATOM 0 HA SER A 64 8.173 -13.488 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.853 -13.025 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.311 -13.605 7.437 1.00 0.00 H new ATOM 0 HG SER A 64 7.382 -15.607 7.111 1.00 0.00 H new ATOM 972 N SER A 65 6.904 -16.469 9.569 1.00 0.00 N ATOM 973 CA SER A 65 5.984 -17.466 10.190 1.00 0.00 C ATOM 974 C SER A 65 6.586 -18.013 11.489 1.00 0.00 C ATOM 975 O SER A 65 5.884 -18.293 12.440 1.00 0.00 O ATOM 976 CB SER A 65 5.848 -18.578 9.153 1.00 0.00 C ATOM 977 OG SER A 65 4.970 -18.151 8.118 1.00 0.00 O ATOM 0 H SER A 65 7.348 -16.770 8.701 1.00 0.00 H new ATOM 0 HA SER A 65 5.020 -17.029 10.450 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.825 -18.825 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.463 -19.483 9.622 1.00 0.00 H new ATOM 0 HG SER A 65 4.882 -18.862 7.450 1.00 0.00 H new ATOM 983 N ALA A 66 7.879 -18.176 11.529 1.00 0.00 N ATOM 984 CA ALA A 66 8.528 -18.715 12.760 1.00 0.00 C ATOM 985 C ALA A 66 8.435 -17.709 13.911 1.00 0.00 C ATOM 986 O ALA A 66 8.218 -18.076 15.049 1.00 0.00 O ATOM 987 CB ALA A 66 9.988 -18.942 12.366 1.00 0.00 C ATOM 0 H ALA A 66 8.516 -17.959 10.762 1.00 0.00 H new ATOM 0 HA ALA A 66 8.046 -19.629 13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.538 -19.339 13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.036 -19.652 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.433 -17.996 12.057 1.00 0.00 H new ATOM 993 N LEU A 67 8.603 -16.445 13.631 1.00 0.00 N ATOM 994 CA LEU A 67 8.530 -15.427 14.721 1.00 0.00 C ATOM 995 C LEU A 67 7.076 -15.196 15.142 1.00 0.00 C ATOM 996 O LEU A 67 6.767 -15.118 16.315 1.00 0.00 O ATOM 997 CB LEU A 67 9.122 -14.152 14.116 1.00 0.00 C ATOM 998 CG LEU A 67 10.407 -13.778 14.859 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.840 -12.367 14.456 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.154 -13.819 16.368 1.00 0.00 C ATOM 0 H LEU A 67 8.787 -16.073 12.699 1.00 0.00 H new ATOM 0 HA LEU A 67 9.069 -15.744 15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.333 -14.304 13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.401 -13.337 14.183 1.00 0.00 H new ATOM 0 HG LEU A 67 11.193 -14.487 14.601 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.755 -12.102 14.986 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.020 -12.335 13.382 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.053 -11.658 14.713 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.069 -13.553 16.898 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.367 -13.110 16.624 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.846 -14.824 16.658 1.00 0.00 H new ATOM 1012 N TYR A 68 6.183 -15.079 14.199 1.00 0.00 N ATOM 1013 CA TYR A 68 4.753 -14.849 14.553 1.00 0.00 C ATOM 1014 C TYR A 68 3.986 -16.173 14.561 1.00 0.00 C ATOM 1015 O TYR A 68 2.771 -16.200 14.578 1.00 0.00 O ATOM 1016 CB TYR A 68 4.222 -13.924 13.457 1.00 0.00 C ATOM 1017 CG TYR A 68 4.591 -12.496 13.784 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.192 -11.932 15.002 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.334 -11.738 12.872 1.00 0.00 C ATOM 1020 CE1 TYR A 68 4.535 -10.609 15.306 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.678 -10.415 13.177 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.278 -9.850 14.394 1.00 0.00 C ATOM 1023 OH TYR A 68 5.616 -8.546 14.694 1.00 0.00 O ATOM 0 H TYR A 68 6.380 -15.132 13.200 1.00 0.00 H new ATOM 0 HA TYR A 68 4.637 -14.415 15.546 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.641 -14.208 12.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.139 -14.022 13.376 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.620 -12.517 15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.642 -12.173 11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.226 -10.174 16.245 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.252 -9.830 12.473 1.00 0.00 H new ATOM 0 HH TYR A 68 6.133 -8.163 13.954 1.00 0.00 H new ATOM 1105 N LYS B 8 12.460 3.450 -0.832 1.00 0.00 N ATOM 1106 CA LYS B 8 11.553 2.303 -0.544 1.00 0.00 C ATOM 1107 C LYS B 8 12.291 1.242 0.276 1.00 0.00 C ATOM 1108 O LYS B 8 11.717 0.589 1.124 1.00 0.00 O ATOM 1109 CB LYS B 8 11.168 1.748 -1.916 1.00 0.00 C ATOM 1110 CG LYS B 8 10.170 0.601 -1.741 1.00 0.00 C ATOM 1111 CD LYS B 8 8.756 1.106 -2.036 1.00 0.00 C ATOM 1112 CE LYS B 8 8.069 1.493 -0.725 1.00 0.00 C ATOM 1113 NZ LYS B 8 6.639 1.697 -1.086 1.00 0.00 N ATOM 0 HA LYS B 8 10.679 2.602 0.034 1.00 0.00 H new ATOM 0 HB2 LYS B 8 10.729 2.536 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.056 1.395 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.422 -0.220 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.223 0.210 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS B 8 8.797 1.966 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.181 0.333 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.179 0.709 0.025 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.503 2.400 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.102 1.965 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 6.565 2.453 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.251 0.815 -1.477 1.00 0.00 H new ATOM 1127 N LYS B 9 13.561 1.068 0.032 1.00 0.00 N ATOM 1128 CA LYS B 9 14.336 0.052 0.800 1.00 0.00 C ATOM 1129 C LYS B 9 14.428 0.460 2.273 1.00 0.00 C ATOM 1130 O LYS B 9 14.321 -0.361 3.162 1.00 0.00 O ATOM 1131 CB LYS B 9 15.723 0.041 0.156 1.00 0.00 C ATOM 1132 CG LYS B 9 16.111 -1.397 -0.197 1.00 0.00 C ATOM 1133 CD LYS B 9 17.617 -1.472 -0.456 1.00 0.00 C ATOM 1134 CE LYS B 9 17.865 -1.864 -1.914 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.293 -1.525 -2.166 1.00 0.00 N ATOM 0 H LYS B 9 14.096 1.585 -0.666 1.00 0.00 H new ATOM 0 HA LYS B 9 13.868 -0.932 0.773 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.724 0.660 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.456 0.469 0.839 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.838 -2.069 0.617 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.563 -1.726 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.082 -0.509 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.076 -2.202 0.211 1.00 0.00 H new ATOM 0 HE2 LYS B 9 17.677 -2.926 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS B 9 17.205 -1.318 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.539 -1.766 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 19.441 -0.507 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.898 -2.065 -1.515 1.00 0.00 H new ATOM 1149 N ALA B 10 14.624 1.723 2.536 1.00 0.00 N ATOM 1150 CA ALA B 10 14.722 2.183 3.952 1.00 0.00 C ATOM 1151 C ALA B 10 13.464 1.777 4.726 1.00 0.00 C ATOM 1152 O ALA B 10 13.536 1.304 5.842 1.00 0.00 O ATOM 1153 CB ALA B 10 14.832 3.705 3.869 1.00 0.00 C ATOM 0 H ALA B 10 14.721 2.456 1.833 1.00 0.00 H new ATOM 0 HA ALA B 10 15.573 1.742 4.472 1.00 0.00 H new ATOM 0 HB1 ALA B 10 14.908 4.120 4.874 1.00 0.00 H new ATOM 0 HB2 ALA B 10 15.720 3.975 3.297 1.00 0.00 H new ATOM 0 HB3 ALA B 10 13.947 4.107 3.377 1.00 0.00 H new ATOM 1159 N GLU B 11 12.312 1.959 4.140 1.00 0.00 N ATOM 1160 CA GLU B 11 11.053 1.582 4.845 1.00 0.00 C ATOM 1161 C GLU B 11 11.057 0.085 5.164 1.00 0.00 C ATOM 1162 O GLU B 11 10.647 -0.333 6.229 1.00 0.00 O ATOM 1163 CB GLU B 11 9.933 1.918 3.861 1.00 0.00 C ATOM 1164 CG GLU B 11 9.536 3.387 4.020 1.00 0.00 C ATOM 1165 CD GLU B 11 8.284 3.671 3.187 1.00 0.00 C ATOM 1166 OE1 GLU B 11 8.032 2.922 2.258 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.599 4.633 3.493 1.00 0.00 O ATOM 0 H GLU B 11 12.188 2.351 3.207 1.00 0.00 H new ATOM 0 HA GLU B 11 10.934 2.109 5.792 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.263 1.728 2.840 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.071 1.276 4.042 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.346 3.612 5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.354 4.032 3.699 1.00 0.00 H new ATOM 1174 N ALA B 12 11.516 -0.724 4.250 1.00 0.00 N ATOM 1175 CA ALA B 12 11.548 -2.192 4.502 1.00 0.00 C ATOM 1176 C ALA B 12 12.533 -2.512 5.630 1.00 0.00 C ATOM 1177 O ALA B 12 12.240 -3.280 6.524 1.00 0.00 O ATOM 1178 CB ALA B 12 12.021 -2.811 3.186 1.00 0.00 C ATOM 0 H ALA B 12 11.870 -0.432 3.339 1.00 0.00 H new ATOM 0 HA ALA B 12 10.576 -2.580 4.808 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.071 -3.895 3.291 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.320 -2.555 2.391 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.009 -2.425 2.937 1.00 0.00 H new ATOM 1184 N VAL B 13 13.699 -1.925 5.595 1.00 0.00 N ATOM 1185 CA VAL B 13 14.700 -2.194 6.666 1.00 0.00 C ATOM 1186 C VAL B 13 14.114 -1.841 8.035 1.00 0.00 C ATOM 1187 O VAL B 13 14.280 -2.564 8.997 1.00 0.00 O ATOM 1188 CB VAL B 13 15.885 -1.284 6.338 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.899 -1.334 7.482 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.551 -1.764 5.046 1.00 0.00 C ATOM 0 H VAL B 13 14.001 -1.272 4.872 1.00 0.00 H new ATOM 0 HA VAL B 13 14.992 -3.243 6.706 1.00 0.00 H new ATOM 0 HB VAL B 13 15.533 -0.260 6.209 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.743 -0.686 7.248 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.425 -0.995 8.403 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.252 -2.357 7.611 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.396 -1.117 4.810 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.903 -2.787 5.177 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.829 -1.730 4.230 1.00 0.00 H new ATOM 1200 N ALA B 14 13.424 -0.736 8.129 1.00 0.00 N ATOM 1201 CA ALA B 14 12.826 -0.340 9.437 1.00 0.00 C ATOM 1202 C ALA B 14 11.794 -1.380 9.881 1.00 0.00 C ATOM 1203 O ALA B 14 11.707 -1.726 11.041 1.00 0.00 O ATOM 1204 CB ALA B 14 12.151 1.006 9.174 1.00 0.00 C ATOM 0 H ALA B 14 13.249 -0.091 7.358 1.00 0.00 H new ATOM 0 HA ALA B 14 13.572 -0.273 10.229 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.686 1.365 10.092 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.896 1.727 8.838 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.389 0.887 8.404 1.00 0.00 H new ATOM 1210 N THR B 15 11.012 -1.883 8.964 1.00 0.00 N ATOM 1211 CA THR B 15 9.988 -2.900 9.335 1.00 0.00 C ATOM 1212 C THR B 15 10.669 -4.169 9.856 1.00 0.00 C ATOM 1213 O THR B 15 10.259 -4.744 10.844 1.00 0.00 O ATOM 1214 CB THR B 15 9.229 -3.191 8.039 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.738 -1.973 7.498 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.058 -4.130 8.332 1.00 0.00 C ATOM 0 H THR B 15 11.038 -1.634 7.975 1.00 0.00 H new ATOM 0 HA THR B 15 9.324 -2.549 10.125 1.00 0.00 H new ATOM 0 HB THR B 15 9.900 -3.664 7.322 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.433 -1.555 6.948 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.518 -4.337 7.408 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.436 -5.064 8.748 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.385 -3.659 9.049 1.00 0.00 H new ATOM 1224 N VAL B 16 11.708 -4.608 9.199 1.00 0.00 N ATOM 1225 CA VAL B 16 12.415 -5.838 9.658 1.00 0.00 C ATOM 1226 C VAL B 16 13.073 -5.590 11.018 1.00 0.00 C ATOM 1227 O VAL B 16 13.009 -6.413 11.910 1.00 0.00 O ATOM 1228 CB VAL B 16 13.478 -6.108 8.594 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.275 -7.356 8.974 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.802 -6.330 7.240 1.00 0.00 C ATOM 0 H VAL B 16 12.098 -4.169 8.365 1.00 0.00 H new ATOM 0 HA VAL B 16 11.736 -6.682 9.779 1.00 0.00 H new ATOM 0 HB VAL B 16 14.150 -5.252 8.529 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.033 -7.549 8.215 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.758 -7.199 9.938 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.602 -8.211 9.040 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.561 -6.522 6.482 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.129 -7.185 7.305 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.234 -5.441 6.967 1.00 0.00 H new ATOM 1240 N VAL B 17 13.705 -4.461 11.182 1.00 0.00 N ATOM 1241 CA VAL B 17 14.367 -4.158 12.484 1.00 0.00 C ATOM 1242 C VAL B 17 13.321 -4.065 13.597 1.00 0.00 C ATOM 1243 O VAL B 17 13.487 -4.619 14.665 1.00 0.00 O ATOM 1244 CB VAL B 17 15.052 -2.808 12.271 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.894 -2.463 13.501 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.959 -2.885 11.040 1.00 0.00 C ATOM 0 H VAL B 17 13.792 -3.734 10.471 1.00 0.00 H new ATOM 0 HA VAL B 17 15.076 -4.931 12.781 1.00 0.00 H new ATOM 0 HB VAL B 17 14.296 -2.038 12.120 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.382 -1.500 13.349 1.00 0.00 H new ATOM 0 HG12 VAL B 17 15.250 -2.409 14.379 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.650 -3.234 13.652 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.448 -1.923 10.887 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.715 -3.656 11.192 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.361 -3.131 10.162 1.00 0.00 H new ATOM 1256 N ALA B 18 12.242 -3.372 13.354 1.00 0.00 N ATOM 1257 CA ALA B 18 11.185 -3.248 14.398 1.00 0.00 C ATOM 1258 C ALA B 18 10.611 -4.628 14.730 1.00 0.00 C ATOM 1259 O ALA B 18 10.294 -4.924 15.864 1.00 0.00 O ATOM 1260 CB ALA B 18 10.110 -2.359 13.771 1.00 0.00 C ATOM 0 H ALA B 18 12.047 -2.887 12.478 1.00 0.00 H new ATOM 0 HA ALA B 18 11.569 -2.828 15.328 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.294 -2.220 14.480 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.541 -1.390 13.519 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.728 -2.833 12.867 1.00 0.00 H new ATOM 1266 N ALA B 19 10.475 -5.473 13.746 1.00 0.00 N ATOM 1267 CA ALA B 19 9.923 -6.834 14.002 1.00 0.00 C ATOM 1268 C ALA B 19 10.886 -7.638 14.880 1.00 0.00 C ATOM 1269 O ALA B 19 10.479 -8.324 15.797 1.00 0.00 O ATOM 1270 CB ALA B 19 9.792 -7.474 12.620 1.00 0.00 C ATOM 0 H ALA B 19 10.722 -5.280 12.775 1.00 0.00 H new ATOM 0 HA ALA B 19 8.968 -6.802 14.527 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.391 -8.482 12.722 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.119 -6.876 12.005 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.772 -7.520 12.146 1.00 0.00 H new ATOM 1276 N VAL B 20 12.160 -7.559 14.607 1.00 0.00 N ATOM 1277 CA VAL B 20 13.146 -8.319 15.429 1.00 0.00 C ATOM 1278 C VAL B 20 13.159 -7.785 16.864 1.00 0.00 C ATOM 1279 O VAL B 20 13.232 -8.538 17.815 1.00 0.00 O ATOM 1280 CB VAL B 20 14.496 -8.076 14.755 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.591 -8.807 15.533 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.453 -8.606 13.321 1.00 0.00 C ATOM 0 H VAL B 20 12.561 -7.002 13.852 1.00 0.00 H new ATOM 0 HA VAL B 20 12.905 -9.381 15.486 1.00 0.00 H new ATOM 0 HB VAL B 20 14.708 -7.007 14.742 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.555 -8.635 15.054 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.622 -8.432 16.556 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.377 -9.876 15.545 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.416 -8.433 12.840 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.241 -9.675 13.334 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.671 -8.088 12.765 1.00 0.00 H new ATOM 1292 N ASP B 21 13.088 -6.492 17.025 1.00 0.00 N ATOM 1293 CA ASP B 21 13.096 -5.911 18.399 1.00 0.00 C ATOM 1294 C ASP B 21 11.842 -6.346 19.161 1.00 0.00 C ATOM 1295 O ASP B 21 11.879 -6.581 20.353 1.00 0.00 O ATOM 1296 CB ASP B 21 13.095 -4.397 18.187 1.00 0.00 C ATOM 1297 CG ASP B 21 14.121 -3.750 19.119 1.00 0.00 C ATOM 1298 OD1 ASP B 21 15.302 -3.843 18.824 1.00 0.00 O ATOM 1299 OD2 ASP B 21 13.710 -3.173 20.111 1.00 0.00 O ATOM 0 H ASP B 21 13.025 -5.813 16.266 1.00 0.00 H new ATOM 0 HA ASP B 21 13.955 -6.241 18.984 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.333 -4.164 17.149 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.102 -3.992 18.385 1.00 0.00 H new ATOM 1304 N GLN B 22 10.734 -6.454 18.481 1.00 0.00 N ATOM 1305 CA GLN B 22 9.478 -6.873 19.166 1.00 0.00 C ATOM 1306 C GLN B 22 9.652 -8.264 19.785 1.00 0.00 C ATOM 1307 O GLN B 22 9.249 -8.510 20.905 1.00 0.00 O ATOM 1308 CB GLN B 22 8.420 -6.905 18.061 1.00 0.00 C ATOM 1309 CG GLN B 22 7.147 -6.210 18.551 1.00 0.00 C ATOM 1310 CD GLN B 22 7.310 -4.694 18.426 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.355 -3.992 19.416 1.00 0.00 O ATOM 1312 NE2 GLN B 22 7.402 -4.155 17.241 1.00 0.00 N ATOM 0 H GLN B 22 10.644 -6.271 17.482 1.00 0.00 H new ATOM 0 HA GLN B 22 9.202 -6.198 19.976 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.797 -6.408 17.167 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.200 -7.936 17.783 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.290 -6.543 17.966 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.949 -6.480 19.588 1.00 0.00 H new ATOM 0 HE21 GLN B 22 7.364 -4.743 16.409 1.00 0.00 H new ATOM 0 HE22 GLN B 22 7.512 -3.145 17.147 1.00 0.00 H new ATOM 1321 N ALA B 23 10.249 -9.174 19.066 1.00 0.00 N ATOM 1322 CA ALA B 23 10.448 -10.548 19.613 1.00 0.00 C ATOM 1323 C ALA B 23 11.391 -10.513 20.819 1.00 0.00 C ATOM 1324 O ALA B 23 11.236 -11.265 21.761 1.00 0.00 O ATOM 1325 CB ALA B 23 11.074 -11.345 18.468 1.00 0.00 C ATOM 0 H ALA B 23 10.608 -9.027 18.123 1.00 0.00 H new ATOM 0 HA ALA B 23 9.513 -10.991 19.957 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.252 -12.370 18.793 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.397 -11.347 17.614 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.020 -10.887 18.180 1.00 0.00 H new ATOM 1331 N ARG B 24 12.370 -9.649 20.799 1.00 0.00 N ATOM 1332 CA ARG B 24 13.321 -9.575 21.947 1.00 0.00 C ATOM 1333 C ARG B 24 12.612 -9.036 23.192 1.00 0.00 C ATOM 1334 O ARG B 24 12.746 -9.573 24.274 1.00 0.00 O ATOM 1335 CB ARG B 24 14.416 -8.610 21.494 1.00 0.00 C ATOM 1336 CG ARG B 24 15.658 -8.805 22.368 1.00 0.00 C ATOM 1337 CD ARG B 24 16.619 -7.631 22.163 1.00 0.00 C ATOM 1338 NE ARG B 24 17.966 -8.256 22.040 1.00 0.00 N ATOM 1339 CZ ARG B 24 19.029 -7.507 21.933 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.919 -6.206 21.925 1.00 0.00 N ATOM 1341 NH2 ARG B 24 20.206 -8.060 21.831 1.00 0.00 N ATOM 0 H ARG B 24 12.553 -8.993 20.040 1.00 0.00 H new ATOM 0 HA ARG B 24 13.723 -10.553 22.211 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.663 -8.788 20.447 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.063 -7.581 21.568 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.370 -8.873 23.417 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.152 -9.742 22.111 1.00 0.00 H new ATOM 0 HD2 ARG B 24 16.364 -7.063 21.268 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.580 -6.937 23.003 1.00 0.00 H new ATOM 0 HE ARG B 24 18.057 -9.272 22.039 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.999 -5.771 22.003 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.753 -5.624 21.841 1.00 0.00 H new ATOM 0 HH21 ARG B 24 20.294 -9.076 21.835 1.00 0.00 H new ATOM 0 HH22 ARG B 24 21.038 -7.476 21.747 1.00 0.00 H new