USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 14 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.1) USER MOD Single : A 16 TYR OH : rot 24:sc= 0.315 USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.13 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 37 THR OG1 : rot -32:sc= 0.606 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 GLN :FLIP amide:sc= -1.02 F(o=-2,f=-1) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.311 USER MOD Single : B 17 THR OG1 : rot 9:sc= -0.315 USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=-0.25!) USER MOD Single : B 24 GLN : amide:sc= 0.723 K(o=0.72,f=-2.3) USER MOD Single : B 35 TYR OH : rot -153:sc= 0.0427 USER MOD Single : B 37 THR OG1 : rot 75:sc= -1.03! USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ -171:sc=-0.00044 (180deg=-0.0278) USER MOD Single : C 602 ASN : amide:sc= 1.11 K(o=1.1,f=-0.064) USER MOD Single : C 605 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0153) USER MOD Single : C 607 GLN : amide:sc= -2.21 K(o=-2.2,f=-2.8!) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.298 7.614 -8.289 1.00 0.00 N ATOM 121 CA GLN A 4 -17.769 8.955 -8.546 1.00 0.00 C ATOM 122 C GLN A 4 -16.584 9.274 -7.635 1.00 0.00 C ATOM 123 O GLN A 4 -16.678 9.111 -6.421 1.00 0.00 O ATOM 124 CB GLN A 4 -18.873 10.001 -8.353 1.00 0.00 C ATOM 125 CG GLN A 4 -19.645 9.844 -7.053 1.00 0.00 C ATOM 126 CD GLN A 4 -20.556 11.022 -6.770 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.724 11.027 -7.157 1.00 0.00 O ATOM 128 NE2 GLN A 4 -20.024 12.031 -6.087 1.00 0.00 N ATOM 0 HA GLN A 4 -17.417 8.983 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.428 10.995 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.570 9.939 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.240 8.932 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.941 9.727 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.051 11.986 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.589 12.851 -5.865 1.00 0.00 H new ATOM 137 N ILE A 5 -15.480 9.740 -8.217 1.00 0.00 N ATOM 138 CA ILE A 5 -14.297 10.087 -7.426 1.00 0.00 C ATOM 139 C ILE A 5 -14.696 10.933 -6.209 1.00 0.00 C ATOM 140 O ILE A 5 -14.987 12.121 -6.348 1.00 0.00 O ATOM 141 CB ILE A 5 -13.251 10.856 -8.269 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.797 10.017 -9.475 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.051 11.238 -7.409 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.416 8.592 -9.129 1.00 0.00 C ATOM 0 H ILE A 5 -15.378 9.885 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.846 9.153 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.719 11.767 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.599 9.998 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.943 10.506 -9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.325 11.778 -8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.380 11.873 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.589 10.336 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.108 8.068 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.592 8.599 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.273 8.083 -8.689 1.00 0.00 H new ATOM 156 N PRO A 6 -14.727 10.334 -4.997 1.00 0.00 N ATOM 157 CA PRO A 6 -15.109 11.056 -3.775 1.00 0.00 C ATOM 158 C PRO A 6 -14.285 12.328 -3.560 1.00 0.00 C ATOM 159 O PRO A 6 -13.071 12.255 -3.381 1.00 0.00 O ATOM 160 CB PRO A 6 -14.825 10.042 -2.657 1.00 0.00 C ATOM 161 CG PRO A 6 -14.931 8.716 -3.320 1.00 0.00 C ATOM 162 CD PRO A 6 -14.404 8.918 -4.713 1.00 0.00 C ATOM 0 HA PRO A 6 -16.145 11.394 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.835 10.193 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.544 10.137 -1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.350 7.963 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.964 8.368 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.332 8.731 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.882 8.246 -5.425 1.00 0.00 H new ATOM 170 N PRO A 7 -14.922 13.516 -3.559 1.00 0.00 N ATOM 171 CA PRO A 7 -14.204 14.776 -3.345 1.00 0.00 C ATOM 172 C PRO A 7 -13.258 14.694 -2.149 1.00 0.00 C ATOM 173 O PRO A 7 -13.553 14.015 -1.166 1.00 0.00 O ATOM 174 CB PRO A 7 -15.332 15.780 -3.081 1.00 0.00 C ATOM 175 CG PRO A 7 -16.499 15.232 -3.827 1.00 0.00 C ATOM 176 CD PRO A 7 -16.371 13.731 -3.753 1.00 0.00 C ATOM 0 HA PRO A 7 -13.571 15.046 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.546 15.866 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.067 16.777 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.437 15.566 -3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.496 15.573 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.952 13.319 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.729 13.252 -4.665 1.00 0.00 H new ATOM 184 N GLY A 8 -12.125 15.387 -2.227 1.00 0.00 N ATOM 185 CA GLY A 8 -11.170 15.371 -1.129 1.00 0.00 C ATOM 186 C GLY A 8 -10.175 14.226 -1.217 1.00 0.00 C ATOM 187 O GLY A 8 -9.078 14.312 -0.663 1.00 0.00 O ATOM 0 H GLY A 8 -11.851 15.957 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.626 16.316 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.712 15.301 -0.186 1.00 0.00 H new ATOM 191 N LEU A 9 -10.549 13.150 -1.908 1.00 0.00 N ATOM 192 CA LEU A 9 -9.675 11.988 -2.055 1.00 0.00 C ATOM 193 C LEU A 9 -8.307 12.396 -2.590 1.00 0.00 C ATOM 194 O LEU A 9 -7.278 12.073 -1.998 1.00 0.00 O ATOM 195 CB LEU A 9 -10.321 10.950 -2.978 1.00 0.00 C ATOM 196 CG LEU A 9 -9.707 9.543 -2.919 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.722 8.495 -3.356 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.453 9.457 -3.781 1.00 0.00 C ATOM 0 H LEU A 9 -11.451 13.059 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.534 11.543 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.380 10.877 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.259 11.312 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.425 9.344 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.267 7.506 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.588 8.529 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.038 8.699 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.039 8.451 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.707 9.684 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.715 10.175 -3.423 1.00 0.00 H new ATOM 210 N THR A 10 -8.304 13.101 -3.715 1.00 0.00 N ATOM 211 CA THR A 10 -7.060 13.545 -4.330 1.00 0.00 C ATOM 212 C THR A 10 -6.200 14.315 -3.330 1.00 0.00 C ATOM 213 O THR A 10 -4.983 14.160 -3.299 1.00 0.00 O ATOM 214 CB THR A 10 -7.357 14.416 -5.561 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.645 14.995 -5.463 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.298 13.653 -6.870 1.00 0.00 C ATOM 0 H THR A 10 -9.147 13.377 -4.219 1.00 0.00 H new ATOM 0 HA THR A 10 -6.503 12.663 -4.648 1.00 0.00 H new ATOM 0 HB THR A 10 -6.577 15.177 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.816 15.547 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.518 14.330 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.301 13.232 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.033 12.848 -6.855 1.00 0.00 H new ATOM 224 N GLU A 11 -6.845 15.146 -2.518 1.00 0.00 N ATOM 225 CA GLU A 11 -6.140 15.946 -1.521 1.00 0.00 C ATOM 226 C GLU A 11 -5.489 15.068 -0.453 1.00 0.00 C ATOM 227 O GLU A 11 -4.416 15.394 0.054 1.00 0.00 O ATOM 228 CB GLU A 11 -7.103 16.936 -0.863 1.00 0.00 C ATOM 229 CG GLU A 11 -6.409 17.975 0.001 1.00 0.00 C ATOM 230 CD GLU A 11 -7.387 18.818 0.795 1.00 0.00 C ATOM 231 OE1 GLU A 11 -8.112 19.627 0.178 1.00 0.00 O ATOM 232 OE2 GLU A 11 -7.430 18.669 2.035 1.00 0.00 O ATOM 0 H GLU A 11 -7.856 15.284 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.350 16.493 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.675 17.444 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.816 16.384 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.726 17.474 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.805 18.625 -0.633 1.00 0.00 H new ATOM 239 N LEU A 12 -6.141 13.959 -0.106 1.00 0.00 N ATOM 240 CA LEU A 12 -5.612 13.052 0.912 1.00 0.00 C ATOM 241 C LEU A 12 -4.369 12.322 0.410 1.00 0.00 C ATOM 242 O LEU A 12 -3.377 12.200 1.127 1.00 0.00 O ATOM 243 CB LEU A 12 -6.683 12.037 1.342 1.00 0.00 C ATOM 244 CG LEU A 12 -7.491 12.417 2.590 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.600 12.455 3.829 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.193 13.755 2.389 1.00 0.00 C ATOM 0 H LEU A 12 -7.031 13.668 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.329 13.653 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.375 11.892 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.198 11.078 1.523 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.251 11.651 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.198 12.727 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.155 11.473 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.810 13.193 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.760 14.006 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.451 14.531 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.871 13.686 1.538 1.00 0.00 H new ATOM 258 N LEU A 13 -4.434 11.834 -0.825 1.00 0.00 N ATOM 259 CA LEU A 13 -3.317 11.112 -1.418 1.00 0.00 C ATOM 260 C LEU A 13 -2.157 12.063 -1.721 1.00 0.00 C ATOM 261 O LEU A 13 -0.998 11.652 -1.755 1.00 0.00 O ATOM 262 CB LEU A 13 -3.779 10.397 -2.697 1.00 0.00 C ATOM 263 CG LEU A 13 -4.452 9.037 -2.487 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.508 9.123 -1.393 1.00 0.00 C ATOM 265 CD2 LEU A 13 -5.066 8.541 -3.794 1.00 0.00 C ATOM 0 H LEU A 13 -5.248 11.926 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.963 10.367 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.474 11.049 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.915 10.259 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.694 8.321 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.974 8.147 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.040 9.432 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.267 9.852 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.541 7.574 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.812 9.257 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.285 8.438 -4.547 1.00 0.00 H new ATOM 277 N GLN A 14 -2.483 13.334 -1.954 1.00 0.00 N ATOM 278 CA GLN A 14 -1.472 14.341 -2.269 1.00 0.00 C ATOM 279 C GLN A 14 -0.542 14.582 -1.088 1.00 0.00 C ATOM 280 O GLN A 14 0.672 14.660 -1.258 1.00 0.00 O ATOM 281 CB GLN A 14 -2.137 15.661 -2.698 1.00 0.00 C ATOM 282 CG GLN A 14 -1.436 16.347 -3.859 1.00 0.00 C ATOM 283 CD GLN A 14 -2.164 17.593 -4.324 1.00 0.00 C ATOM 284 OE1 GLN A 14 -3.164 17.511 -5.037 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.666 18.757 -3.921 1.00 0.00 N ATOM 0 H GLN A 14 -3.439 13.690 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.875 13.961 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.172 15.463 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.160 16.340 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.422 16.613 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.351 15.648 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.835 18.779 -3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.115 19.629 -4.202 1.00 0.00 H new ATOM 294 N GLY A 15 -1.111 14.687 0.109 1.00 0.00 N ATOM 295 CA GLY A 15 -0.302 14.906 1.294 1.00 0.00 C ATOM 296 C GLY A 15 0.789 13.864 1.431 1.00 0.00 C ATOM 297 O GLY A 15 1.945 14.191 1.691 1.00 0.00 O ATOM 0 H GLY A 15 -2.115 14.625 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.147 15.898 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.939 14.884 2.178 1.00 0.00 H new ATOM 301 N TYR A 16 0.415 12.605 1.242 1.00 0.00 N ATOM 302 CA TYR A 16 1.370 11.507 1.331 1.00 0.00 C ATOM 303 C TYR A 16 2.365 11.569 0.170 1.00 0.00 C ATOM 304 O TYR A 16 3.570 11.411 0.360 1.00 0.00 O ATOM 305 CB TYR A 16 0.629 10.166 1.328 1.00 0.00 C ATOM 306 CG TYR A 16 1.540 8.957 1.235 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.039 8.346 2.380 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.899 8.428 0.002 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.869 7.242 2.297 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.728 7.326 -0.089 1.00 0.00 C ATOM 311 CZ TYR A 16 3.209 6.738 1.061 1.00 0.00 C ATOM 312 OH TYR A 16 4.033 5.640 0.973 1.00 0.00 O ATOM 0 H TYR A 16 -0.540 12.319 1.027 1.00 0.00 H new ATOM 0 HA TYR A 16 1.925 11.600 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.033 10.090 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.067 10.149 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.774 8.740 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.524 8.886 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.248 6.778 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.997 6.928 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 16 3.979 5.123 1.804 1.00 0.00 H new ATOM 322 N THR A 17 1.839 11.777 -1.033 1.00 0.00 N ATOM 323 CA THR A 17 2.657 11.838 -2.244 1.00 0.00 C ATOM 324 C THR A 17 3.754 12.905 -2.166 1.00 0.00 C ATOM 325 O THR A 17 4.939 12.592 -2.281 1.00 0.00 O ATOM 326 CB THR A 17 1.766 12.096 -3.460 1.00 0.00 C ATOM 327 OG1 THR A 17 0.675 11.195 -3.481 1.00 0.00 O ATOM 328 CG2 THR A 17 2.493 11.962 -4.781 1.00 0.00 C ATOM 0 H THR A 17 0.841 11.907 -1.198 1.00 0.00 H new ATOM 0 HA THR A 17 3.156 10.874 -2.342 1.00 0.00 H new ATOM 0 HB THR A 17 1.429 13.127 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.106 11.618 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.800 12.158 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.313 12.679 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.890 10.952 -4.877 1.00 0.00 H new ATOM 336 N VAL A 18 3.355 14.165 -1.986 1.00 0.00 N ATOM 337 CA VAL A 18 4.317 15.268 -1.914 1.00 0.00 C ATOM 338 C VAL A 18 5.371 15.021 -0.844 1.00 0.00 C ATOM 339 O VAL A 18 6.527 15.415 -0.993 1.00 0.00 O ATOM 340 CB VAL A 18 3.633 16.614 -1.604 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.669 16.996 -2.715 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.938 16.563 -0.246 1.00 0.00 C ATOM 0 H VAL A 18 2.380 14.447 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 18 4.786 15.316 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 18 4.397 17.389 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.197 17.949 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.214 17.087 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.903 16.227 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.461 17.522 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.183 15.777 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.673 16.353 0.531 1.00 0.00 H new ATOM 352 N GLU A 19 4.961 14.379 0.241 1.00 0.00 N ATOM 353 CA GLU A 19 5.866 14.094 1.345 1.00 0.00 C ATOM 354 C GLU A 19 6.880 13.019 0.958 1.00 0.00 C ATOM 355 O GLU A 19 8.018 13.030 1.429 1.00 0.00 O ATOM 356 CB GLU A 19 5.066 13.668 2.579 1.00 0.00 C ATOM 357 CG GLU A 19 5.797 13.903 3.889 1.00 0.00 C ATOM 358 CD GLU A 19 5.866 15.370 4.269 1.00 0.00 C ATOM 359 OE1 GLU A 19 5.474 16.220 3.441 1.00 0.00 O ATOM 360 OE2 GLU A 19 6.311 15.670 5.398 1.00 0.00 O ATOM 0 H GLU A 19 4.007 14.046 0.380 1.00 0.00 H new ATOM 0 HA GLU A 19 6.421 15.002 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.123 14.214 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.820 12.609 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.296 13.350 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.809 13.504 3.812 1.00 0.00 H new ATOM 367 N VAL A 20 6.465 12.098 0.094 1.00 0.00 N ATOM 368 CA VAL A 20 7.343 11.026 -0.361 1.00 0.00 C ATOM 369 C VAL A 20 8.419 11.569 -1.300 1.00 0.00 C ATOM 370 O VAL A 20 9.568 11.134 -1.259 1.00 0.00 O ATOM 371 CB VAL A 20 6.542 9.912 -1.079 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.453 9.032 -1.939 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.778 9.069 -0.066 1.00 0.00 C ATOM 0 H VAL A 20 5.527 12.073 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 20 7.821 10.599 0.521 1.00 0.00 H new ATOM 0 HB VAL A 20 5.825 10.392 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.858 8.261 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.944 9.645 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.207 8.562 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.220 8.291 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.481 8.609 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.085 9.704 0.487 1.00 0.00 H new ATOM 383 N LEU A 21 8.037 12.521 -2.142 1.00 0.00 N ATOM 384 CA LEU A 21 8.968 13.122 -3.090 1.00 0.00 C ATOM 385 C LEU A 21 9.942 14.059 -2.380 1.00 0.00 C ATOM 386 O LEU A 21 11.077 14.238 -2.822 1.00 0.00 O ATOM 387 CB LEU A 21 8.196 13.889 -4.166 1.00 0.00 C ATOM 388 CG LEU A 21 7.173 13.059 -4.948 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.268 13.965 -5.772 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.876 12.048 -5.844 1.00 0.00 C ATOM 0 H LEU A 21 7.089 12.894 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 21 9.542 12.323 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.679 14.724 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.911 14.314 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 21 6.556 12.514 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.548 13.358 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.737 14.648 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.871 14.538 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.133 11.468 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.519 12.573 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.480 11.378 -5.232 1.00 0.00 H new ATOM 402 N ARG A 22 9.489 14.668 -1.287 1.00 0.00 N ATOM 403 CA ARG A 22 10.315 15.601 -0.527 1.00 0.00 C ATOM 404 C ARG A 22 11.209 14.894 0.493 1.00 0.00 C ATOM 405 O ARG A 22 12.253 15.426 0.872 1.00 0.00 O ATOM 406 CB ARG A 22 9.419 16.612 0.192 1.00 0.00 C ATOM 407 CG ARG A 22 8.589 17.478 -0.752 1.00 0.00 C ATOM 408 CD ARG A 22 9.352 18.710 -1.223 1.00 0.00 C ATOM 409 NE ARG A 22 10.337 18.390 -2.253 1.00 0.00 N ATOM 410 CZ ARG A 22 11.294 19.226 -2.652 1.00 0.00 C ATOM 411 NH1 ARG A 22 11.393 20.439 -2.122 1.00 0.00 N ATOM 412 NH2 ARG A 22 12.153 18.850 -3.590 1.00 0.00 N ATOM 0 H ARG A 22 8.552 14.531 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 22 10.968 16.109 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.748 16.076 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.040 17.258 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.289 16.886 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.675 17.790 -0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.647 19.444 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.855 19.171 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 22 10.289 17.471 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.733 20.737 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.129 21.073 -2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.080 17.921 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.886 19.490 -3.896 1.00 0.00 H new ATOM 426 N GLN A 23 10.799 13.708 0.948 1.00 0.00 N ATOM 427 CA GLN A 23 11.577 12.956 1.940 1.00 0.00 C ATOM 428 C GLN A 23 12.169 11.682 1.349 1.00 0.00 C ATOM 429 O GLN A 23 13.330 11.357 1.599 1.00 0.00 O ATOM 430 CB GLN A 23 10.705 12.608 3.147 1.00 0.00 C ATOM 431 CG GLN A 23 11.500 12.078 4.333 1.00 0.00 C ATOM 432 CD GLN A 23 10.724 12.135 5.635 1.00 0.00 C ATOM 433 OE1 GLN A 23 10.323 11.106 6.177 1.00 0.00 O ATOM 434 NE2 GLN A 23 10.512 13.343 6.145 1.00 0.00 N ATOM 0 H GLN A 23 9.939 13.248 0.649 1.00 0.00 H new ATOM 0 HA GLN A 23 12.401 13.594 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.154 13.496 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.968 11.862 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.794 11.047 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.418 12.657 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.863 14.170 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.998 13.444 7.020 1.00 0.00 H new ATOM 443 N GLN A 24 11.368 10.957 0.574 1.00 0.00 N ATOM 444 CA GLN A 24 11.821 9.713 -0.040 1.00 0.00 C ATOM 445 C GLN A 24 12.151 8.674 1.035 1.00 0.00 C ATOM 446 O GLN A 24 13.320 8.409 1.315 1.00 0.00 O ATOM 447 CB GLN A 24 13.053 9.961 -0.923 1.00 0.00 C ATOM 448 CG GLN A 24 12.924 11.173 -1.837 1.00 0.00 C ATOM 449 CD GLN A 24 12.040 10.911 -3.040 1.00 0.00 C ATOM 450 OE1 GLN A 24 11.457 9.835 -3.175 1.00 0.00 O ATOM 451 NE2 GLN A 24 11.935 11.900 -3.921 1.00 0.00 N ATOM 0 H GLN A 24 10.404 11.209 0.356 1.00 0.00 H new ATOM 0 HA GLN A 24 11.014 9.331 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.926 10.092 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.235 9.076 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.517 12.009 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.915 11.472 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.437 12.775 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.353 11.784 -4.750 1.00 0.00 H new ATOM 460 N PRO A 25 11.119 8.073 1.660 1.00 0.00 N ATOM 461 CA PRO A 25 11.310 7.069 2.712 1.00 0.00 C ATOM 462 C PRO A 25 11.720 5.708 2.150 1.00 0.00 C ATOM 463 O PRO A 25 11.625 5.474 0.946 1.00 0.00 O ATOM 464 CB PRO A 25 9.932 6.998 3.372 1.00 0.00 C ATOM 465 CG PRO A 25 8.982 7.332 2.276 1.00 0.00 C ATOM 466 CD PRO A 25 9.690 8.330 1.397 1.00 0.00 C ATOM 0 HA PRO A 25 12.113 7.335 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.737 6.006 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.850 7.704 4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.710 6.440 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.058 7.751 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.443 8.184 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.414 9.354 1.650 1.00 0.00 H new ATOM 474 N PRO A 26 12.189 4.786 3.015 1.00 0.00 N ATOM 475 CA PRO A 26 12.614 3.451 2.586 1.00 0.00 C ATOM 476 C PRO A 26 11.440 2.580 2.144 1.00 0.00 C ATOM 477 O PRO A 26 11.572 1.769 1.227 1.00 0.00 O ATOM 478 CB PRO A 26 13.287 2.851 3.838 1.00 0.00 C ATOM 479 CG PRO A 26 13.449 3.989 4.790 1.00 0.00 C ATOM 480 CD PRO A 26 12.349 4.958 4.469 1.00 0.00 C ATOM 0 HA PRO A 26 13.275 3.502 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.674 2.061 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.251 2.407 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.378 3.647 5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.427 4.457 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.431 4.724 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.620 5.981 4.729 1.00 0.00 H new ATOM 488 N ASP A 27 10.296 2.746 2.807 1.00 0.00 N ATOM 489 CA ASP A 27 9.103 1.968 2.491 1.00 0.00 C ATOM 490 C ASP A 27 7.877 2.863 2.381 1.00 0.00 C ATOM 491 O ASP A 27 7.745 3.852 3.103 1.00 0.00 O ATOM 492 CB ASP A 27 8.873 0.894 3.556 1.00 0.00 C ATOM 493 CG ASP A 27 9.960 -0.161 3.558 1.00 0.00 C ATOM 494 OD1 ASP A 27 10.194 -0.774 2.495 1.00 0.00 O ATOM 495 OD2 ASP A 27 10.578 -0.377 4.622 1.00 0.00 O ATOM 0 H ASP A 27 10.172 3.414 3.568 1.00 0.00 H new ATOM 0 HA ASP A 27 9.262 1.487 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.826 1.365 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.908 0.417 3.384 1.00 0.00 H new ATOM 500 N LEU A 28 6.981 2.498 1.476 1.00 0.00 N ATOM 501 CA LEU A 28 5.753 3.252 1.260 1.00 0.00 C ATOM 502 C LEU A 28 4.697 2.849 2.284 1.00 0.00 C ATOM 503 O LEU A 28 4.065 3.702 2.909 1.00 0.00 O ATOM 504 CB LEU A 28 5.217 3.011 -0.156 1.00 0.00 C ATOM 505 CG LEU A 28 6.157 3.414 -1.302 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.647 4.845 -1.122 1.00 0.00 C ATOM 507 CD2 LEU A 28 7.335 2.450 -1.414 1.00 0.00 C ATOM 0 H LEU A 28 7.082 1.680 0.876 1.00 0.00 H new ATOM 0 HA LEU A 28 5.978 4.312 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.981 1.952 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.281 3.559 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 28 5.591 3.361 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.311 5.108 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.794 5.523 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.187 4.929 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.983 2.761 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.900 2.457 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.964 1.443 -1.606 1.00 0.00 H new ATOM 519 N VAL A 29 4.512 1.542 2.453 1.00 0.00 N ATOM 520 CA VAL A 29 3.535 1.025 3.403 1.00 0.00 C ATOM 521 C VAL A 29 3.830 1.521 4.815 1.00 0.00 C ATOM 522 O VAL A 29 2.927 1.950 5.531 1.00 0.00 O ATOM 523 CB VAL A 29 3.499 -0.520 3.401 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.836 -1.103 3.837 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.372 -1.032 4.290 1.00 0.00 C ATOM 0 H VAL A 29 5.026 0.823 1.944 1.00 0.00 H new ATOM 0 HA VAL A 29 2.560 1.396 3.087 1.00 0.00 H new ATOM 0 HB VAL A 29 3.309 -0.849 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.779 -2.191 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.617 -0.773 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.070 -0.762 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.363 -2.122 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.528 -0.684 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.418 -0.657 3.920 1.00 0.00 H new ATOM 535 N GLU A 30 5.098 1.465 5.207 1.00 0.00 N ATOM 536 CA GLU A 30 5.505 1.913 6.531 1.00 0.00 C ATOM 537 C GLU A 30 5.256 3.407 6.691 1.00 0.00 C ATOM 538 O GLU A 30 4.691 3.852 7.690 1.00 0.00 O ATOM 539 CB GLU A 30 6.984 1.599 6.771 1.00 0.00 C ATOM 540 CG GLU A 30 7.391 1.668 8.233 1.00 0.00 C ATOM 541 CD GLU A 30 8.891 1.557 8.427 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.438 0.455 8.211 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.519 2.573 8.793 1.00 0.00 O ATOM 0 H GLU A 30 5.860 1.114 4.627 1.00 0.00 H new ATOM 0 HA GLU A 30 4.908 1.379 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.202 0.602 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.593 2.300 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.042 2.608 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.897 0.866 8.782 1.00 0.00 H new ATOM 550 N PHE A 31 5.688 4.176 5.698 1.00 0.00 N ATOM 551 CA PHE A 31 5.520 5.622 5.723 1.00 0.00 C ATOM 552 C PHE A 31 4.047 6.021 5.687 1.00 0.00 C ATOM 553 O PHE A 31 3.669 7.064 6.220 1.00 0.00 O ATOM 554 CB PHE A 31 6.268 6.256 4.555 1.00 0.00 C ATOM 555 CG PHE A 31 6.425 7.741 4.695 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.335 8.270 5.596 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.662 8.605 3.933 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.481 9.637 5.732 1.00 0.00 C ATOM 559 CE2 PHE A 31 5.800 9.973 4.064 1.00 0.00 C ATOM 560 CZ PHE A 31 6.712 10.490 4.965 1.00 0.00 C ATOM 0 H PHE A 31 6.158 3.821 4.865 1.00 0.00 H new ATOM 0 HA PHE A 31 5.937 5.989 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.254 5.799 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.736 6.038 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.937 7.606 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.949 8.206 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.195 10.038 6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.196 10.638 3.464 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.823 11.559 5.069 1.00 0.00 H new ATOM 570 N ALA A 32 3.219 5.194 5.061 1.00 0.00 N ATOM 571 CA ALA A 32 1.791 5.478 4.965 1.00 0.00 C ATOM 572 C ALA A 32 1.135 5.434 6.339 1.00 0.00 C ATOM 573 O ALA A 32 0.362 6.323 6.695 1.00 0.00 O ATOM 574 CB ALA A 32 1.134 4.508 4.005 1.00 0.00 C ATOM 0 H ALA A 32 3.509 4.324 4.614 1.00 0.00 H new ATOM 0 HA ALA A 32 1.658 6.487 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.068 4.727 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.587 4.609 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.273 3.489 4.365 1.00 0.00 H new ATOM 580 N VAL A 33 1.481 4.424 7.126 1.00 0.00 N ATOM 581 CA VAL A 33 0.958 4.305 8.479 1.00 0.00 C ATOM 582 C VAL A 33 1.476 5.478 9.297 1.00 0.00 C ATOM 583 O VAL A 33 0.691 6.269 9.818 1.00 0.00 O ATOM 584 CB VAL A 33 1.408 2.980 9.126 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.909 2.864 10.558 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.927 1.804 8.294 1.00 0.00 C ATOM 0 H VAL A 33 2.120 3.678 6.851 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.132 4.312 8.448 1.00 0.00 H new ATOM 0 HB VAL A 33 2.498 2.970 9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.244 1.918 10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.305 3.689 11.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.180 2.901 10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.250 0.873 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.161 1.821 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.347 1.873 7.290 1.00 0.00 H new ATOM 596 N GLU A 34 2.792 5.597 9.402 1.00 0.00 N ATOM 597 CA GLU A 34 3.397 6.690 10.157 1.00 0.00 C ATOM 598 C GLU A 34 2.761 8.028 9.777 1.00 0.00 C ATOM 599 O GLU A 34 2.616 8.918 10.614 1.00 0.00 O ATOM 600 CB GLU A 34 4.907 6.737 9.902 1.00 0.00 C ATOM 601 CG GLU A 34 5.657 5.525 10.439 1.00 0.00 C ATOM 602 CD GLU A 34 5.945 5.621 11.927 1.00 0.00 C ATOM 603 OE1 GLU A 34 5.019 5.971 12.689 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.094 5.345 12.328 1.00 0.00 O ATOM 0 H GLU A 34 3.460 4.954 8.977 1.00 0.00 H new ATOM 0 HA GLU A 34 3.220 6.512 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.083 6.816 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.316 7.638 10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.072 4.626 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.597 5.417 9.898 1.00 0.00 H new ATOM 611 N TYR A 35 2.383 8.155 8.507 1.00 0.00 N ATOM 612 CA TYR A 35 1.759 9.376 8.004 1.00 0.00 C ATOM 613 C TYR A 35 0.284 9.460 8.396 1.00 0.00 C ATOM 614 O TYR A 35 -0.155 10.457 8.968 1.00 0.00 O ATOM 615 CB TYR A 35 1.894 9.451 6.481 1.00 0.00 C ATOM 616 CG TYR A 35 1.413 10.761 5.891 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.056 11.021 5.743 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.316 11.738 5.482 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.388 12.214 5.205 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.879 12.934 4.944 1.00 0.00 C ATOM 621 CZ TYR A 35 0.526 13.168 4.809 1.00 0.00 C ATOM 622 OH TYR A 35 0.085 14.358 4.274 1.00 0.00 O ATOM 0 H TYR A 35 2.499 7.424 7.805 1.00 0.00 H new ATOM 0 HA TYR A 35 2.277 10.220 8.458 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.939 9.303 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.330 8.632 6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.664 10.278 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.376 11.559 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.446 12.399 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.593 13.681 4.631 1.00 0.00 H new ATOM 0 HH TYR A 35 0.855 14.920 4.048 1.00 0.00 H new ATOM 632 N PHE A 36 -0.484 8.417 8.076 1.00 0.00 N ATOM 633 CA PHE A 36 -1.909 8.399 8.389 1.00 0.00 C ATOM 634 C PHE A 36 -2.158 8.345 9.900 1.00 0.00 C ATOM 635 O PHE A 36 -2.951 9.125 10.427 1.00 0.00 O ATOM 636 CB PHE A 36 -2.593 7.221 7.684 1.00 0.00 C ATOM 637 CG PHE A 36 -2.991 7.531 6.264 1.00 0.00 C ATOM 638 CD1 PHE A 36 -3.975 8.471 6.002 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.382 6.891 5.192 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.344 8.768 4.704 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.748 7.185 3.893 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.730 8.125 3.648 1.00 0.00 C ATOM 0 H PHE A 36 -0.143 7.580 7.603 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.342 9.329 8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.920 6.363 7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.480 6.933 8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.460 8.978 6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.613 6.155 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.113 9.503 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.266 6.680 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.017 8.356 2.633 1.00 0.00 H new ATOM 652 N THR A 37 -1.486 7.430 10.597 1.00 0.00 N ATOM 653 CA THR A 37 -1.661 7.305 12.047 1.00 0.00 C ATOM 654 C THR A 37 -1.453 8.650 12.736 1.00 0.00 C ATOM 655 O THR A 37 -2.317 9.122 13.474 1.00 0.00 O ATOM 656 CB THR A 37 -0.693 6.277 12.640 1.00 0.00 C ATOM 657 OG1 THR A 37 0.640 6.519 12.222 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.043 4.855 12.275 1.00 0.00 C ATOM 0 H THR A 37 -0.823 6.771 10.189 1.00 0.00 H new ATOM 0 HA THR A 37 -2.682 6.965 12.220 1.00 0.00 H new ATOM 0 HB THR A 37 -0.782 6.394 13.720 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.635 6.909 11.323 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.320 4.175 12.725 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.041 4.620 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.021 4.742 11.191 1.00 0.00 H new ATOM 666 N ARG A 38 -0.300 9.260 12.485 1.00 0.00 N ATOM 667 CA ARG A 38 0.028 10.547 13.078 1.00 0.00 C ATOM 668 C ARG A 38 -1.036 11.584 12.737 1.00 0.00 C ATOM 669 O ARG A 38 -1.344 12.460 13.545 1.00 0.00 O ATOM 670 CB ARG A 38 1.406 11.007 12.591 1.00 0.00 C ATOM 671 CG ARG A 38 1.937 12.243 13.314 1.00 0.00 C ATOM 672 CD ARG A 38 1.440 13.547 12.684 1.00 0.00 C ATOM 673 NE ARG A 38 2.530 14.327 12.100 1.00 0.00 N ATOM 674 CZ ARG A 38 2.397 15.581 11.670 1.00 0.00 C ATOM 675 NH1 ARG A 38 1.223 16.195 11.741 1.00 0.00 N ATOM 676 NH2 ARG A 38 3.443 16.221 11.165 1.00 0.00 N ATOM 0 H ARG A 38 0.423 8.881 11.873 1.00 0.00 H new ATOM 0 HA ARG A 38 0.056 10.438 14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.117 10.190 12.718 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.351 11.218 11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.631 12.208 14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.027 12.228 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.704 13.319 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.933 14.145 13.441 1.00 0.00 H new ATOM 0 HE ARG A 38 3.446 13.885 12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.415 15.707 12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.129 17.155 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.347 15.753 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.343 17.181 10.835 1.00 0.00 H new ATOM 690 N LEU A 39 -1.603 11.473 11.538 1.00 0.00 N ATOM 691 CA LEU A 39 -2.642 12.400 11.103 1.00 0.00 C ATOM 692 C LEU A 39 -3.836 12.345 12.055 1.00 0.00 C ATOM 693 O LEU A 39 -4.235 13.362 12.622 1.00 0.00 O ATOM 694 CB LEU A 39 -3.083 12.074 9.669 1.00 0.00 C ATOM 695 CG LEU A 39 -3.632 13.262 8.874 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.840 12.878 7.416 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.934 13.760 9.488 1.00 0.00 C ATOM 0 H LEU A 39 -1.362 10.755 10.855 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.234 13.411 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.233 11.657 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.847 11.298 9.708 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.902 14.071 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.231 13.734 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.889 12.571 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.550 12.053 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.309 14.604 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.671 12.957 9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.754 14.075 10.516 1.00 0.00 H new ATOM 709 N ARG A 40 -4.394 11.150 12.237 1.00 0.00 N ATOM 710 CA ARG A 40 -5.527 10.965 13.128 1.00 0.00 C ATOM 711 C ARG A 40 -5.178 11.390 14.553 1.00 0.00 C ATOM 712 O ARG A 40 -5.958 12.067 15.222 1.00 0.00 O ATOM 713 CB ARG A 40 -5.960 9.504 13.116 1.00 0.00 C ATOM 714 CG ARG A 40 -7.450 9.303 13.345 1.00 0.00 C ATOM 715 CD ARG A 40 -7.904 7.966 12.806 1.00 0.00 C ATOM 716 NE ARG A 40 -6.956 6.915 13.148 1.00 0.00 N ATOM 717 CZ ARG A 40 -7.288 5.663 13.472 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.558 5.271 13.460 1.00 0.00 N ATOM 719 NH2 ARG A 40 -6.341 4.793 13.797 1.00 0.00 N ATOM 0 H ARG A 40 -4.076 10.297 11.777 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.346 11.591 12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.686 9.062 12.158 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.408 8.965 13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.669 9.363 14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.008 10.104 12.859 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.886 7.721 13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.012 8.024 11.723 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.964 7.153 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.293 5.930 13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.798 4.312 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.363 5.081 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.591 3.836 14.045 1.00 0.00 H new ATOM 963 N PRO B 7 8.978 3.183 -8.341 1.00 0.00 N ATOM 964 CA PRO B 7 8.343 2.003 -8.923 1.00 0.00 C ATOM 965 C PRO B 7 7.537 1.212 -7.895 1.00 0.00 C ATOM 966 O PRO B 7 8.104 0.562 -7.017 1.00 0.00 O ATOM 967 CB PRO B 7 9.535 1.166 -9.440 1.00 0.00 C ATOM 968 CG PRO B 7 10.779 1.895 -9.011 1.00 0.00 C ATOM 969 CD PRO B 7 10.364 2.888 -7.961 1.00 0.00 C ATOM 0 HA PRO B 7 7.627 2.269 -9.701 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.512 0.158 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.498 1.065 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.517 1.198 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.242 2.400 -9.859 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.430 2.470 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.989 3.781 -7.976 1.00 0.00 H new ATOM 977 N GLY B 8 6.210 1.264 -8.020 1.00 0.00 N ATOM 978 CA GLY B 8 5.337 0.540 -7.105 1.00 0.00 C ATOM 979 C GLY B 8 4.396 1.450 -6.341 1.00 0.00 C ATOM 980 O GLY B 8 3.247 1.091 -6.089 1.00 0.00 O ATOM 0 H GLY B 8 5.723 1.796 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.753 -0.188 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.947 -0.021 -6.396 1.00 0.00 H new ATOM 984 N LEU B 9 4.881 2.630 -5.968 1.00 0.00 N ATOM 985 CA LEU B 9 4.074 3.595 -5.224 1.00 0.00 C ATOM 986 C LEU B 9 2.689 3.752 -5.849 1.00 0.00 C ATOM 987 O LEU B 9 1.677 3.678 -5.154 1.00 0.00 O ATOM 988 CB LEU B 9 4.789 4.950 -5.168 1.00 0.00 C ATOM 989 CG LEU B 9 4.423 5.832 -3.972 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.293 7.079 -3.950 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.947 6.205 -4.011 1.00 0.00 C ATOM 0 H LEU B 9 5.831 2.943 -6.169 1.00 0.00 H new ATOM 0 HA LEU B 9 3.945 3.219 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.865 4.775 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.567 5.498 -6.084 1.00 0.00 H new ATOM 0 HG LEU B 9 4.605 5.268 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU B 9 5.022 7.697 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.341 6.790 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.141 7.645 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.707 6.832 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.734 6.751 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.342 5.299 -3.979 1.00 0.00 H new ATOM 1003 N THR B 10 2.640 3.955 -7.163 1.00 0.00 N ATOM 1004 CA THR B 10 1.360 4.103 -7.850 1.00 0.00 C ATOM 1005 C THR B 10 0.421 2.965 -7.461 1.00 0.00 C ATOM 1006 O THR B 10 -0.780 3.169 -7.284 1.00 0.00 O ATOM 1007 CB THR B 10 1.553 4.123 -9.370 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.535 5.076 -9.738 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.282 4.451 -10.137 1.00 0.00 C ATOM 0 H THR B 10 3.460 4.020 -7.767 1.00 0.00 H new ATOM 0 HA THR B 10 0.919 5.053 -7.547 1.00 0.00 H new ATOM 0 HB THR B 10 1.864 3.112 -9.633 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.645 5.073 -10.712 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.492 4.448 -11.207 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.480 3.704 -9.914 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.078 5.436 -9.841 1.00 0.00 H new ATOM 1017 N GLU B 11 0.986 1.767 -7.330 1.00 0.00 N ATOM 1018 CA GLU B 11 0.216 0.586 -6.962 1.00 0.00 C ATOM 1019 C GLU B 11 -0.390 0.730 -5.566 1.00 0.00 C ATOM 1020 O GLU B 11 -1.506 0.278 -5.318 1.00 0.00 O ATOM 1021 CB GLU B 11 1.102 -0.663 -7.021 1.00 0.00 C ATOM 1022 CG GLU B 11 0.320 -1.962 -7.124 1.00 0.00 C ATOM 1023 CD GLU B 11 1.215 -3.185 -7.086 1.00 0.00 C ATOM 1024 OE1 GLU B 11 2.432 -3.037 -7.323 1.00 0.00 O ATOM 1025 OE2 GLU B 11 0.699 -4.290 -6.817 1.00 0.00 O ATOM 0 H GLU B 11 1.980 1.590 -7.475 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.600 0.483 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.771 -0.583 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.728 -0.696 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.398 -2.016 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.253 -1.964 -8.051 1.00 0.00 H new ATOM 1032 N LEU B 12 0.353 1.357 -4.654 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.123 1.549 -3.286 1.00 0.00 C ATOM 1034 C LEU B 12 -1.317 2.500 -3.259 1.00 0.00 C ATOM 1035 O LEU B 12 -2.384 2.146 -2.756 1.00 0.00 O ATOM 1036 CB LEU B 12 1.005 2.079 -2.389 1.00 0.00 C ATOM 1037 CG LEU B 12 2.000 1.022 -1.891 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.307 -0.004 -0.999 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.687 0.339 -3.064 1.00 0.00 C ATOM 0 H LEU B 12 1.281 1.738 -4.837 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.445 0.582 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.556 2.842 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.559 2.570 -1.524 1.00 0.00 H new ATOM 0 HG LEU B 12 2.760 1.527 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.034 -0.741 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.871 0.499 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.520 -0.504 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.389 -0.407 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.939 -0.147 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.226 1.081 -3.653 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.148 3.696 -3.816 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.234 4.671 -3.864 1.00 0.00 C ATOM 1053 C LEU B 13 -3.408 4.090 -4.644 1.00 0.00 C ATOM 1054 O LEU B 13 -4.571 4.356 -4.343 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.767 5.967 -4.538 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.570 6.670 -3.880 1.00 0.00 C ATOM 1057 CD1 LEU B 13 0.125 7.595 -4.875 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.009 7.454 -2.649 1.00 0.00 C ATOM 0 H LEU B 13 -0.275 4.012 -4.238 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.543 4.897 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.509 5.743 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.605 6.664 -4.562 1.00 0.00 H new ATOM 0 HG LEU B 13 0.138 5.903 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.970 8.083 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.482 7.013 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.580 8.350 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.144 7.943 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -1.741 8.207 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.457 6.773 -1.925 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.076 3.293 -5.654 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.069 2.655 -6.507 1.00 0.00 C ATOM 1072 C GLN B 14 -4.782 1.520 -5.772 1.00 0.00 C ATOM 1073 O GLN B 14 -6.006 1.407 -5.828 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.381 2.130 -7.769 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.248 1.226 -8.633 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.030 -0.249 -8.338 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -4.924 -0.836 -7.550 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -3.067 -0.851 -8.813 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.112 3.072 -5.903 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.825 3.391 -6.782 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.054 2.979 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -2.485 1.582 -7.477 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.297 1.474 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.032 1.418 -9.684 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.405 -0.360 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -2.931 -1.841 -8.606 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.013 0.681 -5.086 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.595 -0.430 -4.354 1.00 0.00 C ATOM 1089 C GLY B 15 -5.642 0.019 -3.354 1.00 0.00 C ATOM 1090 O GLY B 15 -6.569 -0.724 -3.032 1.00 0.00 O ATOM 0 H GLY B 15 -2.997 0.750 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.046 -1.129 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.806 -0.970 -3.831 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.485 1.240 -2.858 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.412 1.810 -1.885 1.00 0.00 C ATOM 1096 C TYR B 16 -7.673 2.339 -2.565 1.00 0.00 C ATOM 1097 O TYR B 16 -8.788 2.098 -2.103 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.714 2.938 -1.121 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.579 3.605 -0.073 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.112 2.876 0.982 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.854 4.968 -0.133 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.893 3.483 1.946 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.635 5.581 0.826 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.152 4.836 1.863 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.930 5.444 2.821 1.00 0.00 O ATOM 0 H TYR B 16 -4.717 1.860 -3.116 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.713 1.025 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.822 2.538 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.380 3.692 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.912 1.817 1.050 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.450 5.556 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.299 2.902 2.761 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.840 6.640 0.764 1.00 0.00 H new ATOM 0 HH TYR B 16 -9.014 6.399 2.616 1.00 0.00 H new ATOM 1115 N THR B 17 -7.486 3.071 -3.659 1.00 0.00 N ATOM 1116 CA THR B 17 -8.604 3.652 -4.401 1.00 0.00 C ATOM 1117 C THR B 17 -9.645 2.601 -4.803 1.00 0.00 C ATOM 1118 O THR B 17 -10.829 2.751 -4.504 1.00 0.00 O ATOM 1119 CB THR B 17 -8.098 4.374 -5.660 1.00 0.00 C ATOM 1120 OG1 THR B 17 -7.091 3.622 -6.321 1.00 0.00 O ATOM 1121 CG2 THR B 17 -7.528 5.751 -5.392 1.00 0.00 C ATOM 0 H THR B 17 -6.568 3.277 -4.054 1.00 0.00 H new ATOM 0 HA THR B 17 -9.087 4.366 -3.733 1.00 0.00 H new ATOM 0 HB THR B 17 -8.986 4.480 -6.283 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.024 2.734 -5.911 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.193 6.195 -6.329 1.00 0.00 H new ATOM 0 HG22 THR B 17 -8.296 6.382 -4.946 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.684 5.668 -4.707 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.210 1.557 -5.503 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.128 0.515 -5.967 1.00 0.00 C ATOM 1131 C VAL B 18 -11.087 0.069 -4.865 1.00 0.00 C ATOM 1132 O VAL B 18 -12.250 -0.242 -5.124 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.378 -0.723 -6.514 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.422 -0.336 -7.645 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.643 -1.448 -5.392 1.00 0.00 C ATOM 0 H VAL B 18 -8.235 1.408 -5.761 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.701 0.965 -6.778 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.116 -1.408 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -7.909 -1.227 -8.009 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -8.987 0.116 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.688 0.378 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.123 -2.315 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.920 -0.772 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.360 -1.775 -4.639 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.591 0.058 -3.632 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.401 -0.328 -2.482 1.00 0.00 C ATOM 1147 C GLU B 19 -12.297 0.830 -2.048 1.00 0.00 C ATOM 1148 O GLU B 19 -13.496 0.658 -1.845 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.507 -0.771 -1.318 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.814 -2.109 -1.552 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.433 -2.805 -0.260 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.263 -2.108 0.761 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -9.305 -4.047 -0.270 1.00 0.00 O ATOM 0 H GLU B 19 -9.630 0.312 -3.403 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.032 -1.168 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.751 -0.006 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.111 -0.838 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.472 -2.758 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -8.918 -1.949 -2.152 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.699 2.011 -1.913 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.430 3.210 -1.505 1.00 0.00 C ATOM 1162 C VAL B 20 -13.634 3.461 -2.412 1.00 0.00 C ATOM 1163 O VAL B 20 -14.757 3.624 -1.942 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.511 4.456 -1.532 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.301 5.727 -1.233 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.352 4.300 -0.549 1.00 0.00 C ATOM 0 H VAL B 20 -10.705 2.165 -2.081 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.780 3.040 -0.487 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.098 4.543 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -11.631 6.586 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.083 5.854 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.754 5.650 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -9.721 5.188 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.745 4.177 0.460 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.762 3.424 -0.818 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.379 3.514 -3.709 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.424 3.771 -4.694 1.00 0.00 C ATOM 1178 C LEU B 21 -15.574 2.766 -4.590 1.00 0.00 C ATOM 1179 O LEU B 21 -16.743 3.136 -4.695 1.00 0.00 O ATOM 1180 CB LEU B 21 -13.820 3.731 -6.107 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.111 5.015 -6.568 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -14.122 6.057 -7.032 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -12.221 5.584 -5.466 1.00 0.00 C ATOM 0 H LEU B 21 -12.450 3.382 -4.109 1.00 0.00 H new ATOM 0 HA LEU B 21 -14.836 4.760 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.107 2.908 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.616 3.504 -6.816 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.473 4.754 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -13.596 6.956 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -14.700 5.657 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -14.794 6.304 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -11.734 6.491 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.829 5.819 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -11.464 4.849 -5.194 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.234 1.492 -4.419 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.230 0.427 -4.343 1.00 0.00 C ATOM 1197 C ARG B 22 -16.789 0.239 -2.926 1.00 0.00 C ATOM 1198 O ARG B 22 -17.889 -0.290 -2.758 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.594 -0.869 -4.850 1.00 0.00 C ATOM 1200 CG ARG B 22 -16.460 -2.120 -4.695 1.00 0.00 C ATOM 1201 CD ARG B 22 -15.863 -3.082 -3.681 1.00 0.00 C ATOM 1202 NE ARG B 22 -14.464 -3.381 -3.980 1.00 0.00 N ATOM 1203 CZ ARG B 22 -14.064 -4.158 -4.987 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -14.953 -4.740 -5.784 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -12.770 -4.355 -5.197 1.00 0.00 N ATOM 0 H ARG B 22 -14.270 1.170 -4.330 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.079 0.705 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -15.346 -0.746 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -14.656 -1.027 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.464 -1.834 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -16.558 -2.619 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.938 -2.651 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -16.440 -4.007 -3.673 1.00 0.00 H new ATOM 0 HE ARG B 22 -13.749 -2.969 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.950 -4.594 -5.628 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.638 -5.333 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.081 -3.912 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.463 -4.949 -5.967 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.040 0.663 -1.910 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.484 0.515 -0.522 1.00 0.00 C ATOM 1221 C GLN B 23 -17.171 1.780 -0.030 1.00 0.00 C ATOM 1222 O GLN B 23 -18.156 1.722 0.705 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.292 0.189 0.384 1.00 0.00 C ATOM 1224 CG GLN B 23 -14.639 -1.164 0.091 1.00 0.00 C ATOM 1225 CD GLN B 23 -14.742 -2.136 1.256 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.116 -1.937 2.298 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -15.532 -3.190 1.087 1.00 0.00 N ATOM 0 H GLN B 23 -15.129 1.109 -2.018 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.201 -0.305 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.543 0.973 0.277 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.623 0.204 1.422 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -15.110 -1.606 -0.787 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -13.588 -1.009 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -16.032 -3.316 0.207 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -15.638 -3.873 1.837 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.634 2.921 -0.436 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.176 4.211 -0.040 1.00 0.00 C ATOM 1238 C GLN B 24 -17.247 4.323 1.484 1.00 0.00 C ATOM 1239 O GLN B 24 -18.306 4.120 2.078 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.567 4.414 -0.645 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.579 4.384 -2.164 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.964 5.626 -2.779 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.807 6.649 -2.113 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.612 5.541 -4.056 1.00 0.00 N ATOM 0 H GLN B 24 -15.817 2.979 -1.044 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.511 4.989 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.234 3.638 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.966 5.370 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.035 3.505 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.606 4.281 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -17.761 4.672 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.193 6.344 -4.524 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.115 4.635 2.144 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.056 4.755 3.601 1.00 0.00 C ATOM 1255 C PRO B 25 -16.469 6.140 4.096 1.00 0.00 C ATOM 1256 O PRO B 25 -16.510 7.094 3.318 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.578 4.502 3.885 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.882 5.098 2.710 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.795 4.881 1.525 1.00 0.00 C ATOM 0 HA PRO B 25 -16.739 4.071 4.105 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.264 4.972 4.817 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.365 3.437 3.978 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.693 6.160 2.867 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -12.914 4.623 2.548 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.815 5.752 0.870 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.472 4.034 0.920 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.774 6.280 5.403 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.172 7.565 5.981 1.00 0.00 C ATOM 1269 C PRO B 26 -15.992 8.527 6.094 1.00 0.00 C ATOM 1270 O PRO B 26 -16.140 9.732 5.887 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.707 7.197 7.382 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.773 5.704 7.412 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.753 5.220 6.422 1.00 0.00 C ATOM 0 HA PRO B 26 -17.909 8.077 5.362 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.049 7.575 8.164 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.690 7.636 7.553 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.557 5.325 8.411 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.770 5.353 7.147 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.767 5.111 6.875 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.021 4.250 6.004 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.820 7.986 6.432 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.609 8.789 6.581 1.00 0.00 C ATOM 1283 C ASP B 27 -12.438 8.145 5.850 1.00 0.00 C ATOM 1284 O ASP B 27 -12.237 6.933 5.921 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.272 8.965 8.063 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.279 9.842 8.782 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -14.267 11.069 8.555 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -15.079 9.300 9.573 1.00 0.00 O ATOM 0 H ASP B 27 -14.686 6.990 6.608 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.792 9.769 6.139 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.236 7.987 8.544 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.279 9.403 8.158 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.671 8.968 5.147 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.517 8.489 4.397 1.00 0.00 C ATOM 1295 C LEU B 28 -9.347 8.179 5.327 1.00 0.00 C ATOM 1296 O LEU B 28 -8.665 7.168 5.164 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.099 9.528 3.356 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.151 9.834 2.282 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -10.833 11.144 1.576 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.241 8.692 1.276 1.00 0.00 C ATOM 0 H LEU B 28 -11.828 9.974 5.080 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.801 7.567 3.890 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -9.848 10.455 3.871 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.190 9.181 2.864 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.119 9.936 2.773 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.591 11.342 0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -10.825 11.956 2.303 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -9.855 11.073 1.101 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -11.993 8.929 0.523 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.274 8.556 0.793 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.521 7.774 1.792 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.119 9.058 6.299 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.028 8.878 7.251 1.00 0.00 C ATOM 1314 C VAL B 29 -8.170 7.565 8.019 1.00 0.00 C ATOM 1315 O VAL B 29 -7.185 6.864 8.252 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.957 10.048 8.256 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -9.208 10.098 9.122 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.707 9.941 9.119 1.00 0.00 C ATOM 0 H VAL B 29 -9.674 9.901 6.448 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.106 8.853 6.670 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.902 10.978 7.689 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -9.133 10.931 9.821 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -10.084 10.234 8.488 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.304 9.165 9.677 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.676 10.775 9.820 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.726 9.002 9.672 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.822 9.969 8.483 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.399 7.238 8.410 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.665 6.009 9.154 1.00 0.00 C ATOM 1330 C GLU B 30 -9.620 4.793 8.235 1.00 0.00 C ATOM 1331 O GLU B 30 -9.100 3.741 8.604 1.00 0.00 O ATOM 1332 CB GLU B 30 -11.023 6.094 9.849 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.088 7.178 10.913 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.300 7.041 11.815 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.346 6.558 11.335 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.201 7.415 13.003 1.00 0.00 O ATOM 0 H GLU B 30 -10.226 7.806 8.225 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.887 5.895 9.909 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.794 6.281 9.102 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.250 5.131 10.307 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.183 7.141 11.519 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -11.108 8.155 10.430 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.170 4.938 7.035 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.183 3.844 6.070 1.00 0.00 C ATOM 1345 C PHE B 31 -8.784 3.594 5.510 1.00 0.00 C ATOM 1346 O PHE B 31 -8.449 2.471 5.134 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.163 4.151 4.938 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.505 2.948 4.103 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -12.293 1.933 4.620 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -11.036 2.832 2.805 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.609 0.825 3.857 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.348 1.728 2.036 1.00 0.00 C ATOM 1353 CZ PHE B 31 -12.136 0.722 2.563 1.00 0.00 C ATOM 0 H PHE B 31 -10.611 5.798 6.708 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.509 2.939 6.583 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.079 4.562 5.362 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.735 4.921 4.295 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.665 2.008 5.631 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.419 3.614 2.389 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -13.225 0.041 4.272 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.977 1.651 1.025 1.00 0.00 H new ATOM 0 HZ PHE B 31 -12.381 -0.143 1.964 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.970 4.646 5.459 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.605 4.539 4.948 1.00 0.00 C ATOM 1365 C ALA B 32 -5.669 3.919 5.973 1.00 0.00 C ATOM 1366 O ALA B 32 -4.955 2.963 5.676 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.086 5.906 4.534 1.00 0.00 C ATOM 0 H ALA B 32 -8.232 5.583 5.765 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.632 3.884 4.077 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.068 5.810 4.156 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.726 6.317 3.753 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.091 6.573 5.396 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.662 4.479 7.176 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.791 3.985 8.229 1.00 0.00 C ATOM 1375 C VAL B 33 -4.947 2.472 8.416 1.00 0.00 C ATOM 1376 O VAL B 33 -3.964 1.738 8.419 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.019 4.740 9.565 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -6.307 4.313 10.251 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -3.828 4.561 10.493 1.00 0.00 C ATOM 0 H VAL B 33 -6.247 5.271 7.444 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.765 4.179 7.916 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.118 5.799 9.325 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.425 4.868 11.182 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.154 4.519 9.596 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.267 3.245 10.467 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.008 5.098 11.424 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.689 3.501 10.707 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.931 4.955 10.014 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.187 2.010 8.549 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.458 0.585 8.723 1.00 0.00 C ATOM 1391 C GLU B 34 -5.936 -0.226 7.539 1.00 0.00 C ATOM 1392 O GLU B 34 -5.403 -1.320 7.712 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.961 0.350 8.895 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.534 0.970 10.158 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.027 0.747 10.290 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.726 0.774 9.256 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.499 0.545 11.429 1.00 0.00 O ATOM 0 H GLU B 34 -7.019 2.600 8.540 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.937 0.251 9.620 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.485 0.758 8.030 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.153 -0.723 8.908 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.029 0.548 11.027 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.329 2.040 10.158 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.095 0.319 6.339 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.642 -0.356 5.127 1.00 0.00 C ATOM 1406 C TYR B 35 -4.127 -0.549 5.144 1.00 0.00 C ATOM 1407 O TYR B 35 -3.634 -1.644 4.873 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.053 0.447 3.890 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.649 -0.198 2.578 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.333 -0.142 2.131 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.582 -0.860 1.786 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -3.960 -0.726 0.935 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.214 -1.445 0.589 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.903 -1.376 0.168 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.534 -1.958 -1.023 1.00 0.00 O ATOM 0 H TYR B 35 -6.534 1.226 6.178 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.113 -1.338 5.089 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.135 0.582 3.899 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.607 1.440 3.948 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.590 0.366 2.728 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.610 -0.918 2.112 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -2.934 -0.673 0.603 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.951 -1.954 -0.014 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.306 -1.986 -1.626 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.391 0.513 5.453 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.931 0.447 5.490 1.00 0.00 C ATOM 1427 C PHE B 36 -1.431 -0.269 6.747 1.00 0.00 C ATOM 1428 O PHE B 36 -0.556 -1.131 6.666 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.337 1.858 5.414 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.413 2.462 4.038 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.528 2.067 3.048 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.367 3.420 3.732 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.593 2.613 1.781 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.437 3.971 2.467 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.548 3.567 1.490 1.00 0.00 C ATOM 0 H PHE B 36 -3.778 1.429 5.681 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.602 -0.130 4.626 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.863 2.504 6.117 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.295 1.824 5.731 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.222 1.323 3.270 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -3.064 3.740 4.492 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.102 2.294 1.019 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -3.186 4.716 2.242 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.600 3.996 0.500 1.00 0.00 H new ATOM 1445 N THR B 37 -1.978 0.094 7.904 1.00 0.00 N ATOM 1446 CA THR B 37 -1.564 -0.522 9.163 1.00 0.00 C ATOM 1447 C THR B 37 -1.860 -2.023 9.168 1.00 0.00 C ATOM 1448 O THR B 37 -1.182 -2.793 9.848 1.00 0.00 O ATOM 1449 CB THR B 37 -2.242 0.177 10.354 1.00 0.00 C ATOM 1450 OG1 THR B 37 -2.576 1.512 10.029 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.380 0.235 11.597 1.00 0.00 C ATOM 0 H THR B 37 -2.703 0.805 7.997 1.00 0.00 H new ATOM 0 HA THR B 37 -0.486 -0.398 9.262 1.00 0.00 H new ATOM 0 HB THR B 37 -3.126 -0.426 10.563 1.00 0.00 H new ATOM 0 HG1 THR B 37 -3.356 1.519 9.436 1.00 0.00 H new ATOM 0 HG21 THR B 37 -1.924 0.742 12.394 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.131 -0.778 11.915 1.00 0.00 H new ATOM 0 HG23 THR B 37 -0.463 0.783 11.379 1.00 0.00 H new ATOM 1459 N ARG B 38 -2.859 -2.438 8.389 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.218 -3.853 8.290 1.00 0.00 C ATOM 1461 C ARG B 38 -2.240 -4.573 7.365 1.00 0.00 C ATOM 1462 O ARG B 38 -1.847 -5.711 7.615 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.652 -4.007 7.770 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.089 -5.456 7.560 1.00 0.00 C ATOM 1465 CD ARG B 38 -4.550 -6.051 6.257 1.00 0.00 C ATOM 1466 NE ARG B 38 -5.541 -6.893 5.590 1.00 0.00 N ATOM 1467 CZ ARG B 38 -6.637 -6.424 4.998 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -6.895 -5.122 4.996 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -7.479 -7.260 4.406 1.00 0.00 N ATOM 0 H ARG B 38 -3.433 -1.817 7.819 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.162 -4.300 9.283 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.335 -3.532 8.474 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.744 -3.471 6.825 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -4.746 -6.060 8.400 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.178 -5.506 7.555 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -4.249 -5.245 5.587 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -3.657 -6.640 6.469 1.00 0.00 H new ATOM 0 HE ARG B 38 -5.383 -7.901 5.577 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.251 -4.474 5.450 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -7.737 -4.770 4.540 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -7.287 -8.262 4.405 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -8.319 -6.901 3.952 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.863 -3.893 6.287 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.943 -4.451 5.299 1.00 0.00 C ATOM 1485 C LEU B 39 0.379 -4.871 5.944 1.00 0.00 C ATOM 1486 O LEU B 39 0.863 -5.979 5.719 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.692 -3.436 4.176 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.385 -4.045 2.803 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -0.374 -2.967 1.730 1.00 0.00 C ATOM 1490 CD2 LEU B 39 0.943 -4.791 2.830 1.00 0.00 C ATOM 0 H LEU B 39 -2.182 -2.948 6.074 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.404 -5.343 4.874 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.569 -2.796 4.084 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.141 -2.796 4.466 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.172 -4.760 2.562 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -0.154 -3.419 0.763 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.350 -2.482 1.691 1.00 0.00 H new ATOM 0 HD13 LEU B 39 0.390 -2.226 1.966 1.00 0.00 H new ATOM 0 HD21 LEU B 39 1.142 -5.216 1.846 1.00 0.00 H new ATOM 0 HD22 LEU B 39 1.743 -4.100 3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.895 -5.592 3.568 1.00 0.00 H new ATOM 1502 N ARG B 40 0.960 -3.976 6.736 1.00 0.00 N ATOM 1503 CA ARG B 40 2.232 -4.253 7.404 1.00 0.00 C ATOM 1504 C ARG B 40 2.226 -5.619 8.089 1.00 0.00 C ATOM 1505 O ARG B 40 3.217 -6.348 8.042 1.00 0.00 O ATOM 1506 CB ARG B 40 2.538 -3.162 8.431 1.00 0.00 C ATOM 1507 CG ARG B 40 2.787 -1.800 7.808 1.00 0.00 C ATOM 1508 CD ARG B 40 3.305 -0.803 8.831 1.00 0.00 C ATOM 1509 NE ARG B 40 4.627 -1.170 9.333 1.00 0.00 N ATOM 1510 CZ ARG B 40 5.243 -0.537 10.329 1.00 0.00 C ATOM 1511 NH1 ARG B 40 4.663 0.496 10.927 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.443 -0.937 10.727 1.00 0.00 N ATOM 0 H ARG B 40 0.573 -3.053 6.933 1.00 0.00 H new ATOM 0 HA ARG B 40 3.008 -4.263 6.639 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.705 -3.087 9.129 1.00 0.00 H new ATOM 0 HB3 ARG B 40 3.414 -3.454 9.010 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.508 -1.897 6.996 1.00 0.00 H new ATOM 0 HG3 ARG B 40 1.862 -1.425 7.370 1.00 0.00 H new ATOM 0 HD2 ARG B 40 3.351 0.188 8.380 1.00 0.00 H new ATOM 0 HD3 ARG B 40 2.605 -0.742 9.664 1.00 0.00 H new ATOM 0 HE ARG B 40 5.106 -1.957 8.895 1.00 0.00 H new ATOM 0 HH11 ARG B 40 3.741 0.809 10.624 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.140 0.977 11.690 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.894 -1.730 10.270 1.00 0.00 H new ATOM 0 HH22 ARG B 40 6.915 -0.452 11.490 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.368 -3.694 -14.125 1.00 0.00 N ATOM 1755 CA GLU C 591 -14.324 -2.657 -15.156 1.00 0.00 C ATOM 1756 C GLU C 591 -14.396 -1.229 -14.592 1.00 0.00 C ATOM 1757 O GLU C 591 -13.365 -0.594 -14.365 1.00 0.00 O ATOM 1758 CB GLU C 591 -15.451 -2.886 -16.171 1.00 0.00 C ATOM 1759 CG GLU C 591 -15.176 -4.026 -17.137 1.00 0.00 C ATOM 1760 CD GLU C 591 -15.185 -5.380 -16.456 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -14.178 -5.723 -15.801 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -16.199 -6.099 -16.578 1.00 0.00 O ATOM 0 HA GLU C 591 -13.354 -2.742 -15.646 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -16.377 -3.091 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -15.609 -1.969 -16.739 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -15.926 -4.016 -17.928 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -14.208 -3.869 -17.613 1.00 0.00 H new ATOM 1769 N GLU C 592 -15.613 -0.714 -14.413 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.834 0.653 -13.932 1.00 0.00 C ATOM 1771 C GLU C 592 -15.011 1.014 -12.694 1.00 0.00 C ATOM 1772 O GLU C 592 -14.684 2.181 -12.484 1.00 0.00 O ATOM 1773 CB GLU C 592 -17.322 0.865 -13.642 1.00 0.00 C ATOM 1774 CG GLU C 592 -18.195 0.800 -14.884 1.00 0.00 C ATOM 1775 CD GLU C 592 -19.620 1.251 -14.621 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.809 2.416 -14.214 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -20.545 0.437 -14.822 1.00 0.00 O ATOM 0 H GLU C 592 -16.473 -1.231 -14.597 1.00 0.00 H new ATOM 0 HA GLU C 592 -15.497 1.316 -14.729 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.657 0.109 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -17.456 1.835 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -17.758 1.424 -15.663 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -18.206 -0.222 -15.263 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.688 0.026 -11.873 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.914 0.272 -10.656 1.00 0.00 C ATOM 1786 C ILE C 593 -12.445 0.531 -10.972 1.00 0.00 C ATOM 1787 O ILE C 593 -11.762 1.237 -10.230 1.00 0.00 O ATOM 1788 CB ILE C 593 -14.025 -0.907 -9.662 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.460 -1.024 -9.132 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -13.037 -0.749 -8.506 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.934 0.186 -8.349 1.00 0.00 C ATOM 0 H ILE C 593 -14.946 -0.950 -12.022 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.338 1.163 -10.192 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.773 -1.824 -10.195 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -16.134 -1.185 -9.973 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.529 -1.905 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.138 -1.593 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -12.020 -0.719 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.247 0.177 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.957 0.022 -8.010 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.286 0.338 -7.486 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.900 1.069 -8.988 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.956 -0.037 -12.071 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.565 0.147 -12.462 1.00 0.00 C ATOM 1805 C TRP C 594 -10.334 1.481 -13.156 1.00 0.00 C ATOM 1806 O TRP C 594 -9.394 2.201 -12.824 1.00 0.00 O ATOM 1807 CB TRP C 594 -10.092 -0.993 -13.365 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.632 -0.905 -13.688 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -8.062 -0.893 -14.929 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.557 -0.803 -12.750 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.695 -0.788 -14.816 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -6.362 -0.733 -13.489 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.487 -0.765 -11.356 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -5.116 -0.624 -12.877 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -6.254 -0.657 -10.753 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -5.081 -0.586 -11.512 1.00 0.00 C ATOM 0 H TRP C 594 -12.500 -0.625 -12.702 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.981 0.141 -11.542 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -10.295 -1.946 -12.877 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.667 -0.980 -14.291 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -8.604 -0.957 -15.861 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -6.036 -0.756 -15.594 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.386 -0.819 -10.760 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -4.209 -0.571 -13.461 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -6.191 -0.627 -9.675 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -4.129 -0.499 -11.009 1.00 0.00 H new ATOM 1827 N LYS C 595 -11.187 1.814 -14.113 1.00 0.00 N ATOM 1828 CA LYS C 595 -11.048 3.072 -14.835 1.00 0.00 C ATOM 1829 C LYS C 595 -11.029 4.247 -13.859 1.00 0.00 C ATOM 1830 O LYS C 595 -10.255 5.189 -14.026 1.00 0.00 O ATOM 1831 CB LYS C 595 -12.195 3.237 -15.842 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.968 2.496 -17.156 1.00 0.00 C ATOM 1833 CD LYS C 595 -13.276 2.256 -17.909 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.964 0.975 -17.457 1.00 0.00 C ATOM 1835 NZ LYS C 595 -15.377 0.911 -17.920 1.00 0.00 N ATOM 0 H LYS C 595 -11.976 1.238 -14.407 1.00 0.00 H new ATOM 0 HA LYS C 595 -10.104 3.057 -15.379 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -13.119 2.879 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -12.333 4.298 -16.052 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -11.288 3.071 -17.784 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -11.484 1.540 -16.955 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -13.945 3.102 -17.753 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -13.074 2.202 -18.979 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -13.417 0.114 -17.841 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.935 0.912 -16.369 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -15.810 0.024 -17.592 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -15.906 1.719 -17.533 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -15.404 0.946 -18.959 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.911 4.210 -12.872 1.00 0.00 N ATOM 1850 CA LYS C 596 -12.009 5.300 -11.905 1.00 0.00 C ATOM 1851 C LYS C 596 -10.817 5.361 -10.941 1.00 0.00 C ATOM 1852 O LYS C 596 -10.129 6.379 -10.872 1.00 0.00 O ATOM 1853 CB LYS C 596 -13.302 5.160 -11.097 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.572 5.188 -11.944 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.877 6.570 -12.518 1.00 0.00 C ATOM 1856 CE LYS C 596 -14.845 7.666 -11.458 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.656 8.848 -11.860 1.00 0.00 N ATOM 0 H LYS C 596 -12.566 3.444 -12.717 1.00 0.00 H new ATOM 0 HA LYS C 596 -12.008 6.227 -12.479 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.270 4.224 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -13.349 5.965 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.472 4.475 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -15.415 4.859 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -14.152 6.803 -13.298 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.860 6.555 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.222 7.270 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -13.814 7.974 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.489 9.627 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -15.382 9.148 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.665 8.596 -11.852 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.587 4.288 -10.176 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.503 4.234 -9.195 1.00 0.00 C ATOM 1873 C ALA C 597 -8.148 4.672 -9.757 1.00 0.00 C ATOM 1874 O ALA C 597 -7.400 5.391 -9.094 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.399 2.822 -8.645 1.00 0.00 C ATOM 0 H ALA C 597 -11.146 3.436 -10.221 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.752 4.943 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.593 2.775 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.339 2.548 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -9.190 2.129 -9.460 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.826 4.225 -10.967 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.545 4.570 -11.586 1.00 0.00 C ATOM 1883 C GLU C 598 -6.446 6.075 -11.839 1.00 0.00 C ATOM 1884 O GLU C 598 -5.356 6.646 -11.798 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.328 3.782 -12.886 1.00 0.00 C ATOM 1886 CG GLU C 598 -7.470 3.898 -13.891 1.00 0.00 C ATOM 1887 CD GLU C 598 -7.169 4.864 -15.024 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -6.580 5.931 -14.752 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -7.521 4.551 -16.180 1.00 0.00 O ATOM 0 H GLU C 598 -8.426 3.628 -11.536 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.754 4.292 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -5.408 4.129 -13.358 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -6.183 2.730 -12.639 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -7.681 2.913 -14.307 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -8.371 4.225 -13.372 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.582 6.716 -12.091 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.598 8.157 -12.336 1.00 0.00 C ATOM 1898 C GLU C 599 -7.189 8.907 -11.065 1.00 0.00 C ATOM 1899 O GLU C 599 -6.455 9.893 -11.126 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.984 8.607 -12.841 1.00 0.00 C ATOM 1901 CG GLU C 599 -9.826 9.359 -11.819 1.00 0.00 C ATOM 1902 CD GLU C 599 -11.243 9.598 -12.300 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -11.921 8.614 -12.663 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -11.676 10.769 -12.313 1.00 0.00 O ATOM 0 H GLU C 599 -8.497 6.267 -12.131 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.875 8.395 -13.116 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -8.847 9.243 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.538 7.728 -13.170 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -9.852 8.794 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -9.354 10.316 -11.598 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.673 8.442 -9.920 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.359 9.078 -8.643 1.00 0.00 C ATOM 1913 C ALA C 600 -5.852 9.149 -8.403 1.00 0.00 C ATOM 1914 O ALA C 600 -5.365 10.075 -7.754 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.047 8.332 -7.508 1.00 0.00 C ATOM 0 H ALA C 600 -8.284 7.628 -9.848 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.731 10.102 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.808 8.812 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.126 8.350 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.700 7.299 -7.489 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.119 8.161 -8.911 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.668 8.115 -8.728 1.00 0.00 C ATOM 1923 C VAL C 601 -2.928 8.977 -9.744 1.00 0.00 C ATOM 1924 O VAL C 601 -1.994 9.696 -9.395 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.129 6.673 -8.798 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.674 6.630 -8.358 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.984 5.748 -7.939 1.00 0.00 C ATOM 0 H VAL C 601 -5.502 7.385 -9.450 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.482 8.518 -7.732 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.182 6.327 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.307 5.605 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.077 7.264 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.593 6.990 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.593 4.732 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.960 6.087 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.012 5.762 -8.301 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.359 8.911 -10.999 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.741 9.698 -12.062 1.00 0.00 C ATOM 1939 C ASN C 602 -2.972 11.186 -11.811 1.00 0.00 C ATOM 1940 O ASN C 602 -2.138 12.022 -12.153 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.317 9.298 -13.426 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.735 7.995 -13.944 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.949 7.989 -14.892 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -3.119 6.884 -13.326 1.00 0.00 N ATOM 0 H ASN C 602 -4.133 8.322 -11.306 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.669 9.501 -12.066 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.400 9.202 -13.345 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -3.120 10.092 -14.147 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.761 5.980 -13.633 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.772 6.935 -12.544 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.110 11.502 -11.216 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.453 12.887 -10.917 1.00 0.00 C ATOM 1953 C GLU C 603 -3.668 13.409 -9.715 1.00 0.00 C ATOM 1954 O GLU C 603 -2.994 14.434 -9.818 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.957 13.011 -10.659 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.807 12.816 -11.905 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.710 13.986 -12.865 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -7.299 15.046 -12.569 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -6.045 13.841 -13.912 1.00 0.00 O ATOM 0 H GLU C 603 -4.813 10.821 -10.930 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.184 13.494 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.251 12.275 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.165 13.995 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -6.494 11.905 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -7.848 12.676 -11.612 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.764 12.735 -8.570 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.069 13.189 -7.370 1.00 0.00 C ATOM 1968 C VAL C 604 -1.547 13.171 -7.519 1.00 0.00 C ATOM 1969 O VAL C 604 -0.848 13.956 -6.877 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.464 12.374 -6.127 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.959 10.941 -6.225 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.933 13.050 -4.875 1.00 0.00 C ATOM 0 H VAL C 604 -4.310 11.882 -8.450 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.387 14.223 -7.235 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.552 12.335 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.253 10.390 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.389 10.463 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.872 10.943 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.217 12.467 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.846 13.117 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.354 14.052 -4.796 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.034 12.282 -8.371 1.00 0.00 N ATOM 1983 CA LYS C 605 0.410 12.197 -8.585 1.00 0.00 C ATOM 1984 C LYS C 605 0.883 13.354 -9.457 1.00 0.00 C ATOM 1985 O LYS C 605 1.886 14.000 -9.155 1.00 0.00 O ATOM 1986 CB LYS C 605 0.823 10.839 -9.176 1.00 0.00 C ATOM 1987 CG LYS C 605 0.286 10.555 -10.575 1.00 0.00 C ATOM 1988 CD LYS C 605 1.282 10.939 -11.668 1.00 0.00 C ATOM 1989 CE LYS C 605 2.270 9.814 -11.954 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.654 8.724 -12.760 1.00 0.00 N ATOM 0 H LYS C 605 -1.587 11.621 -8.916 1.00 0.00 H new ATOM 0 HA LYS C 605 0.899 12.276 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS C 605 1.911 10.788 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS C 605 0.483 10.049 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS C 605 0.046 9.495 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS C 605 -0.643 11.105 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS C 605 0.741 11.189 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS C 605 1.827 11.833 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS C 605 3.133 10.215 -12.486 1.00 0.00 H new ATOM 0 HE3 LYS C 605 2.637 9.406 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.389 8.047 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 0.936 8.234 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 1.206 9.129 -13.607 1.00 0.00 H new ATOM 2004 N ARG C 606 0.138 13.636 -10.519 1.00 0.00 N ATOM 2005 CA ARG C 606 0.475 14.745 -11.402 1.00 0.00 C ATOM 2006 C ARG C 606 0.389 16.061 -10.628 1.00 0.00 C ATOM 2007 O ARG C 606 1.049 17.039 -10.974 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.470 14.778 -12.617 1.00 0.00 C ATOM 2009 CG ARG C 606 0.099 14.107 -13.863 1.00 0.00 C ATOM 2010 CD ARG C 606 0.983 15.057 -14.660 1.00 0.00 C ATOM 2011 NE ARG C 606 0.202 16.090 -15.339 1.00 0.00 N ATOM 2012 CZ ARG C 606 -0.561 15.868 -16.408 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -0.643 14.652 -16.935 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -1.242 16.867 -16.953 1.00 0.00 N ATOM 0 H ARG C 606 -0.697 13.116 -10.788 1.00 0.00 H new ATOM 0 HA ARG C 606 1.493 14.608 -11.767 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -1.407 14.289 -12.349 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.707 15.816 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG C 606 0.677 13.230 -13.572 1.00 0.00 H new ATOM 0 HG3 ARG C 606 -0.718 13.756 -14.493 1.00 0.00 H new ATOM 0 HD2 ARG C 606 1.704 15.528 -13.992 1.00 0.00 H new ATOM 0 HD3 ARG C 606 1.553 14.490 -15.396 1.00 0.00 H new ATOM 0 HE ARG C 606 0.244 17.040 -14.971 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -0.120 13.880 -16.521 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -1.229 14.489 -17.754 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -1.181 17.804 -16.554 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -1.827 16.699 -17.772 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.442 16.079 -9.585 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.623 17.279 -8.767 1.00 0.00 C ATOM 2030 C GLN C 607 0.528 17.486 -7.773 1.00 0.00 C ATOM 2031 O GLN C 607 1.150 18.548 -7.763 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.960 17.211 -8.003 1.00 0.00 C ATOM 2033 CG GLN C 607 -3.130 17.902 -8.708 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.990 16.943 -9.509 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -3.706 16.660 -10.673 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -5.048 16.437 -8.886 1.00 0.00 N ATOM 0 H GLN C 607 -0.999 15.278 -9.287 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.630 18.130 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.218 16.165 -7.840 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.826 17.664 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.750 18.403 -7.965 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.742 18.674 -9.372 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -5.245 16.700 -7.920 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.663 15.786 -9.373 1.00 0.00 H new ATOM 2045 N ALA C 608 0.808 16.484 -6.928 1.00 0.00 N ATOM 2046 CA ALA C 608 1.877 16.578 -5.928 1.00 0.00 C ATOM 2047 C ALA C 608 3.172 17.141 -6.507 1.00 0.00 C ATOM 2048 O ALA C 608 3.924 17.829 -5.817 1.00 0.00 O ATOM 2049 CB ALA C 608 2.127 15.202 -5.332 1.00 0.00 C ATOM 0 H ALA C 608 0.306 15.596 -6.919 1.00 0.00 H new ATOM 0 HA ALA C 608 1.548 17.272 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.921 15.267 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.215 14.839 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.425 14.512 -6.122 1.00 0.00 H new ATOM 2055 N MET C 609 3.427 16.847 -7.770 1.00 0.00 N ATOM 2056 CA MET C 609 4.641 17.335 -8.417 1.00 0.00 C ATOM 2057 C MET C 609 4.624 18.861 -8.497 1.00 0.00 C ATOM 2058 O MET C 609 5.672 19.503 -8.426 1.00 0.00 O ATOM 2059 CB MET C 609 4.820 16.713 -9.808 1.00 0.00 C ATOM 2060 CG MET C 609 4.147 17.491 -10.935 1.00 0.00 C ATOM 2061 SD MET C 609 3.853 16.486 -12.405 1.00 0.00 S ATOM 2062 CE MET C 609 3.949 17.728 -13.691 1.00 0.00 C ATOM 0 H MET C 609 2.822 16.281 -8.365 1.00 0.00 H new ATOM 0 HA MET C 609 5.494 17.031 -7.811 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.886 16.633 -10.023 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.421 15.699 -9.794 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.197 17.890 -10.578 1.00 0.00 H new ATOM 0 HG3 MET C 609 4.770 18.344 -11.203 1.00 0.00 H new ATOM 0 HE1 MET C 609 3.787 17.260 -14.662 1.00 0.00 H new ATOM 0 HE2 MET C 609 3.185 18.486 -13.522 1.00 0.00 H new ATOM 0 HE3 MET C 609 4.934 18.195 -13.673 1.00 0.00 H new ATOM 2072 N THR C 610 3.433 19.440 -8.621 1.00 0.00 N ATOM 2073 CA THR C 610 3.299 20.892 -8.680 1.00 0.00 C ATOM 2074 C THR C 610 3.697 21.497 -7.336 1.00 0.00 C ATOM 2075 O THR C 610 4.327 22.552 -7.276 1.00 0.00 O ATOM 2076 CB THR C 610 1.864 21.286 -9.031 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.491 20.754 -10.289 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.649 22.783 -9.084 1.00 0.00 C ATOM 0 H THR C 610 2.552 18.930 -8.682 1.00 0.00 H new ATOM 0 HA THR C 610 3.959 21.276 -9.458 1.00 0.00 H new ATOM 0 HB THR C 610 1.249 20.875 -8.230 1.00 0.00 H new ATOM 0 HG1 THR C 610 0.569 21.016 -10.495 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.610 22.993 -9.338 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.880 23.218 -8.112 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.302 23.218 -9.840 1.00 0.00 H new ATOM 2086 N GLU C 611 3.336 20.804 -6.265 1.00 0.00 N ATOM 2087 CA GLU C 611 3.670 21.256 -4.917 1.00 0.00 C ATOM 2088 C GLU C 611 5.187 21.386 -4.762 1.00 0.00 C ATOM 2089 O GLU C 611 5.679 22.155 -3.939 1.00 0.00 O ATOM 2090 CB GLU C 611 3.111 20.275 -3.883 1.00 0.00 C ATOM 2091 CG GLU C 611 2.982 20.862 -2.488 1.00 0.00 C ATOM 2092 CD GLU C 611 1.977 21.995 -2.421 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.192 22.152 -3.381 1.00 0.00 O ATOM 2094 OE2 GLU C 611 1.974 22.727 -1.409 1.00 0.00 O ATOM 0 H GLU C 611 2.813 19.929 -6.300 1.00 0.00 H new ATOM 0 HA GLU C 611 3.220 22.235 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.131 19.931 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.758 19.399 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.684 20.076 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU C 611 3.956 21.226 -2.160 1.00 0.00 H new ATOM 2101 N LEU C 612 5.913 20.615 -5.571 1.00 0.00 N ATOM 2102 CA LEU C 612 7.376 20.617 -5.549 1.00 0.00 C ATOM 2103 C LEU C 612 7.941 21.666 -6.506 1.00 0.00 C ATOM 2104 O LEU C 612 8.717 22.533 -6.106 1.00 0.00 O ATOM 2105 CB LEU C 612 7.920 19.228 -5.905 1.00 0.00 C ATOM 2106 CG LEU C 612 7.953 18.227 -4.740 1.00 0.00 C ATOM 2107 CD1 LEU C 612 6.575 17.622 -4.511 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.979 17.131 -4.994 1.00 0.00 C ATOM 0 H LEU C 612 5.508 19.976 -6.255 1.00 0.00 H new ATOM 0 HA LEU C 612 7.695 20.872 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU C 612 7.311 18.810 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.931 19.340 -6.298 1.00 0.00 H new ATOM 0 HG LEU C 612 8.247 18.768 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU C 612 6.621 16.916 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU C 612 5.865 18.414 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU C 612 6.252 17.102 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU C 612 8.983 16.435 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU C 612 8.721 16.596 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU C 612 9.968 17.576 -5.101 1.00 0.00 H new ATOM 2120 N GLN C 613 7.554 21.570 -7.772 1.00 0.00 N ATOM 2121 CA GLN C 613 8.025 22.499 -8.795 1.00 0.00 C ATOM 2122 C GLN C 613 7.708 23.949 -8.431 1.00 0.00 C ATOM 2123 O GLN C 613 8.335 24.874 -8.947 1.00 0.00 O ATOM 2124 CB GLN C 613 7.403 22.151 -10.149 1.00 0.00 C ATOM 2125 CG GLN C 613 7.877 20.820 -10.711 1.00 0.00 C ATOM 2126 CD GLN C 613 9.298 20.881 -11.238 1.00 0.00 C ATOM 2127 OE1 GLN C 613 10.001 21.873 -11.045 1.00 0.00 O ATOM 2128 NE2 GLN C 613 9.727 19.819 -11.908 1.00 0.00 N ATOM 0 H GLN C 613 6.913 20.856 -8.117 1.00 0.00 H new ATOM 0 HA GLN C 613 9.109 22.401 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.318 22.127 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN C 613 7.638 22.942 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.814 20.059 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.209 20.511 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.110 19.018 -12.044 1.00 0.00 H new ATOM 0 HE22 GLN C 613 10.674 19.803 -12.287 1.00 0.00 H new