USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 727 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00115 X(o=-0.0012,f=-0.37) USER MOD Single : A 24 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.056) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.025) USER MOD Single : A 33 MET CE :methyl -123:sc= -8.01! (180deg=-10.7!) USER MOD Single : A 34 MET CE :methyl 148:sc= -3.28! (180deg=-5.09!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -6.18! C(o=-6.2!,f=-9.8!) USER MOD Single : A 38 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-1.1) USER MOD Single : A 54 GLN : amide:sc=-0.00115 K(o=-0.0012,f=-0.58) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc=-0.000693 X(o=-0.00069,f=-0.44) USER MOD Single : B 24 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.087) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.018) USER MOD Single : B 33 MET CE :methyl -125:sc= -10! (180deg=-12.2!) USER MOD Single : B 34 MET CE :methyl 154:sc= -3.98! (180deg=-6.22!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-9.6!) USER MOD Single : B 38 GLN : amide:sc= 0.069 X(o=0.069,f=0) USER MOD Single : B 39 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 51 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1.2) USER MOD Single : B 54 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.53) USER MOD Single : B 63 SER OG : rot 26:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.316 17.923 -14.703 1.00 0.00 N ATOM 163 CA PRO A 19 -14.413 19.096 -14.566 1.00 0.00 C ATOM 164 C PRO A 19 -13.081 18.867 -15.290 1.00 0.00 C ATOM 165 O PRO A 19 -12.272 19.765 -15.410 1.00 0.00 O ATOM 166 CB PRO A 19 -14.207 19.215 -13.058 1.00 0.00 C ATOM 167 CG PRO A 19 -14.461 17.841 -12.527 1.00 0.00 C ATOM 168 CD PRO A 19 -15.483 17.207 -13.430 1.00 0.00 C ATOM 0 HA PRO A 19 -14.829 20.000 -15.011 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.197 19.549 -12.822 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.893 19.941 -12.621 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.541 17.256 -12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.826 17.885 -11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.306 16.138 -13.546 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.492 17.322 -13.035 1.00 0.00 H new ATOM 176 N LYS A 20 -12.856 17.679 -15.781 1.00 0.00 N ATOM 177 CA LYS A 20 -11.582 17.374 -16.512 1.00 0.00 C ATOM 178 C LYS A 20 -10.370 17.504 -15.580 1.00 0.00 C ATOM 179 O LYS A 20 -9.750 16.522 -15.222 1.00 0.00 O ATOM 180 CB LYS A 20 -11.504 18.393 -17.656 1.00 0.00 C ATOM 181 CG LYS A 20 -10.483 17.920 -18.693 1.00 0.00 C ATOM 182 CD LYS A 20 -9.070 18.087 -18.131 1.00 0.00 C ATOM 183 CE LYS A 20 -8.061 18.101 -19.282 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.728 18.000 -18.625 1.00 0.00 N ATOM 0 H LYS A 20 -13.504 16.895 -15.709 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.573 16.351 -16.887 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.483 18.509 -18.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.217 19.370 -17.268 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.664 16.875 -18.947 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.590 18.495 -19.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.001 19.014 -17.561 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.842 17.273 -17.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.229 17.268 -19.965 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.144 19.016 -19.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.982 18.003 -19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.594 18.810 -17.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.676 17.116 -18.079 1.00 0.00 H new ATOM 198 N ALA A 21 -10.022 18.700 -15.182 1.00 0.00 N ATOM 199 CA ALA A 21 -8.848 18.872 -14.275 1.00 0.00 C ATOM 200 C ALA A 21 -8.992 17.954 -13.059 1.00 0.00 C ATOM 201 O ALA A 21 -8.175 17.087 -12.820 1.00 0.00 O ATOM 202 CB ALA A 21 -8.888 20.340 -13.848 1.00 0.00 C ATOM 0 H ALA A 21 -10.498 19.563 -15.445 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.906 18.617 -14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.054 20.547 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.812 20.977 -14.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.827 20.544 -13.333 1.00 0.00 H new ATOM 208 N LEU A 22 -10.035 18.132 -12.298 1.00 0.00 N ATOM 209 CA LEU A 22 -10.246 17.264 -11.106 1.00 0.00 C ATOM 210 C LEU A 22 -10.276 15.794 -11.550 1.00 0.00 C ATOM 211 O LEU A 22 -9.457 14.994 -11.144 1.00 0.00 O ATOM 212 CB LEU A 22 -11.601 17.727 -10.538 1.00 0.00 C ATOM 213 CG LEU A 22 -12.275 16.605 -9.737 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.329 16.124 -8.639 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.567 17.133 -9.110 1.00 0.00 C ATOM 0 H LEU A 22 -10.752 18.842 -12.450 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.458 17.341 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.453 18.597 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.254 18.039 -11.353 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.509 15.773 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.808 15.327 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.411 15.747 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.093 16.954 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.047 16.337 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.335 17.965 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.241 17.473 -9.897 1.00 0.00 H new ATOM 227 N GLN A 23 -11.216 15.440 -12.384 1.00 0.00 N ATOM 228 CA GLN A 23 -11.308 14.029 -12.863 1.00 0.00 C ATOM 229 C GLN A 23 -9.942 13.544 -13.361 1.00 0.00 C ATOM 230 O GLN A 23 -9.594 12.389 -13.219 1.00 0.00 O ATOM 231 CB GLN A 23 -12.317 14.071 -14.013 1.00 0.00 C ATOM 232 CG GLN A 23 -12.476 12.670 -14.608 1.00 0.00 C ATOM 233 CD GLN A 23 -12.716 12.779 -16.115 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.345 13.711 -16.576 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.238 11.859 -16.908 1.00 0.00 N ATOM 0 H GLN A 23 -11.927 16.069 -12.756 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.615 13.343 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.279 14.435 -13.653 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.980 14.767 -14.781 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.582 12.077 -14.413 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.310 12.154 -14.133 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.710 11.077 -16.521 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.392 11.923 -17.914 1.00 0.00 H new ATOM 244 N GLN A 24 -9.166 14.419 -13.940 1.00 0.00 N ATOM 245 CA GLN A 24 -7.825 14.006 -14.441 1.00 0.00 C ATOM 246 C GLN A 24 -6.875 13.770 -13.264 1.00 0.00 C ATOM 247 O GLN A 24 -6.048 12.880 -13.289 1.00 0.00 O ATOM 248 CB GLN A 24 -7.342 15.181 -15.293 1.00 0.00 C ATOM 249 CG GLN A 24 -5.944 14.879 -15.834 1.00 0.00 C ATOM 250 CD GLN A 24 -6.045 13.861 -16.972 1.00 0.00 C ATOM 251 OE1 GLN A 24 -6.700 14.106 -17.965 1.00 0.00 O ATOM 252 NE2 GLN A 24 -5.421 12.719 -16.867 1.00 0.00 N ATOM 0 H GLN A 24 -9.402 15.400 -14.088 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.863 13.078 -15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.033 15.354 -16.118 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.323 16.093 -14.696 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.476 15.796 -16.193 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.311 14.488 -15.037 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.871 12.513 -16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.484 12.033 -17.619 1.00 0.00 H new ATOM 261 N LYS A 25 -6.988 14.561 -12.232 1.00 0.00 N ATOM 262 CA LYS A 25 -6.093 14.382 -11.054 1.00 0.00 C ATOM 263 C LYS A 25 -6.482 13.116 -10.286 1.00 0.00 C ATOM 264 O LYS A 25 -5.642 12.324 -9.907 1.00 0.00 O ATOM 265 CB LYS A 25 -6.320 15.624 -10.192 1.00 0.00 C ATOM 266 CG LYS A 25 -5.123 16.568 -10.331 1.00 0.00 C ATOM 267 CD LYS A 25 -5.168 17.253 -11.698 1.00 0.00 C ATOM 268 CE LYS A 25 -3.760 17.293 -12.296 1.00 0.00 C ATOM 269 NZ LYS A 25 -3.342 18.719 -12.201 1.00 0.00 N ATOM 0 H LYS A 25 -7.661 15.323 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.047 14.272 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.234 16.131 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.451 15.337 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.142 17.315 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.193 16.011 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.842 16.715 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.560 18.265 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.079 16.644 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.761 16.950 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.384 18.827 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.005 19.312 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.344 19.016 -11.204 1.00 0.00 H new ATOM 283 N ILE A 26 -7.751 12.919 -10.054 1.00 0.00 N ATOM 284 CA ILE A 26 -8.195 11.704 -9.312 1.00 0.00 C ATOM 285 C ILE A 26 -7.655 10.445 -9.993 1.00 0.00 C ATOM 286 O ILE A 26 -6.999 9.627 -9.378 1.00 0.00 O ATOM 287 CB ILE A 26 -9.723 11.736 -9.378 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.240 12.965 -8.628 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.289 10.470 -8.731 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.683 13.251 -9.047 1.00 0.00 C ATOM 0 H ILE A 26 -8.500 13.547 -10.346 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.832 11.691 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.040 11.785 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.190 12.795 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.610 13.828 -8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.378 10.493 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.921 9.593 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.972 10.421 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.050 14.127 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.720 13.439 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.309 12.391 -8.808 1.00 0.00 H new ATOM 302 N HIS A 27 -7.927 10.282 -11.258 1.00 0.00 N ATOM 303 CA HIS A 27 -7.429 9.074 -11.977 1.00 0.00 C ATOM 304 C HIS A 27 -5.899 9.029 -11.943 1.00 0.00 C ATOM 305 O HIS A 27 -5.296 7.985 -12.097 1.00 0.00 O ATOM 306 CB HIS A 27 -7.930 9.235 -13.413 1.00 0.00 C ATOM 307 CG HIS A 27 -7.981 7.889 -14.081 1.00 0.00 C ATOM 308 ND1 HIS A 27 -7.547 7.692 -15.382 1.00 0.00 N ATOM 309 CD2 HIS A 27 -8.413 6.662 -13.640 1.00 0.00 C ATOM 310 CE1 HIS A 27 -7.725 6.391 -15.677 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.251 5.718 -14.650 1.00 0.00 N ATOM 0 H HIS A 27 -8.472 10.932 -11.825 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.782 8.148 -11.523 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.920 9.691 -13.415 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.270 9.903 -13.967 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.817 6.460 -12.659 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.473 5.945 -16.628 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.484 4.726 -14.614 1.00 0.00 H new ATOM 319 N GLU A 28 -5.268 10.153 -11.745 1.00 0.00 N ATOM 320 CA GLU A 28 -3.777 10.175 -11.703 1.00 0.00 C ATOM 321 C GLU A 28 -3.275 9.720 -10.329 1.00 0.00 C ATOM 322 O GLU A 28 -2.338 8.954 -10.223 1.00 0.00 O ATOM 323 CB GLU A 28 -3.395 11.635 -11.955 1.00 0.00 C ATOM 324 CG GLU A 28 -2.999 11.813 -13.422 1.00 0.00 C ATOM 325 CD GLU A 28 -1.475 11.800 -13.545 1.00 0.00 C ATOM 326 OE1 GLU A 28 -0.910 10.719 -13.562 1.00 0.00 O ATOM 327 OE2 GLU A 28 -0.897 12.872 -13.619 1.00 0.00 O ATOM 0 H GLU A 28 -5.719 11.058 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.336 9.503 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.233 12.288 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.568 11.923 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.430 11.014 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.397 12.752 -13.806 1.00 0.00 H new ATOM 334 N LEU A 29 -3.889 10.188 -9.277 1.00 0.00 N ATOM 335 CA LEU A 29 -3.443 9.786 -7.911 1.00 0.00 C ATOM 336 C LEU A 29 -3.808 8.323 -7.638 1.00 0.00 C ATOM 337 O LEU A 29 -3.021 7.569 -7.101 1.00 0.00 O ATOM 338 CB LEU A 29 -4.200 10.715 -6.961 1.00 0.00 C ATOM 339 CG LEU A 29 -3.559 12.103 -6.984 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.603 13.155 -6.604 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.405 12.147 -5.979 1.00 0.00 C ATOM 0 H LEU A 29 -4.680 10.831 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.363 9.867 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.247 10.781 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.181 10.311 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.181 12.311 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.145 14.144 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.427 13.124 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.982 12.947 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.947 13.136 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.785 11.939 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.660 11.398 -6.247 1.00 0.00 H new ATOM 353 N GLU A 30 -4.993 7.917 -8.002 1.00 0.00 N ATOM 354 CA GLU A 30 -5.403 6.503 -7.760 1.00 0.00 C ATOM 355 C GLU A 30 -4.476 5.544 -8.513 1.00 0.00 C ATOM 356 O GLU A 30 -4.055 4.533 -7.989 1.00 0.00 O ATOM 357 CB GLU A 30 -6.829 6.406 -8.303 1.00 0.00 C ATOM 358 CG GLU A 30 -7.489 5.127 -7.782 1.00 0.00 C ATOM 359 CD GLU A 30 -7.989 4.292 -8.962 1.00 0.00 C ATOM 360 OE1 GLU A 30 -9.119 4.498 -9.371 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.232 3.462 -9.438 1.00 0.00 O ATOM 0 H GLU A 30 -5.695 8.501 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.348 6.233 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.407 7.277 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.815 6.402 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.775 4.551 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.320 5.377 -7.122 1.00 0.00 H new ATOM 368 N GLY A 31 -4.158 5.854 -9.740 1.00 0.00 N ATOM 369 CA GLY A 31 -3.261 4.960 -10.526 1.00 0.00 C ATOM 370 C GLY A 31 -1.865 4.949 -9.900 1.00 0.00 C ATOM 371 O GLY A 31 -1.094 4.032 -10.099 1.00 0.00 O ATOM 0 H GLY A 31 -4.480 6.687 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.668 3.949 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.204 5.303 -11.559 1.00 0.00 H new ATOM 375 N LEU A 32 -1.532 5.960 -9.145 1.00 0.00 N ATOM 376 CA LEU A 32 -0.183 6.003 -8.509 1.00 0.00 C ATOM 377 C LEU A 32 -0.111 5.007 -7.348 1.00 0.00 C ATOM 378 O LEU A 32 0.887 4.341 -7.150 1.00 0.00 O ATOM 379 CB LEU A 32 -0.032 7.436 -7.998 1.00 0.00 C ATOM 380 CG LEU A 32 1.452 7.803 -7.934 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.996 7.979 -9.353 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.619 9.112 -7.159 1.00 0.00 C ATOM 0 H LEU A 32 -2.134 6.757 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 32 0.610 5.733 -9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.560 8.126 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.484 7.530 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 32 2.002 7.008 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.053 8.240 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.876 7.048 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.447 8.774 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.676 9.375 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.069 9.906 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.231 8.988 -6.148 1.00 0.00 H new ATOM 394 N MET A 33 -1.159 4.899 -6.578 1.00 0.00 N ATOM 395 CA MET A 33 -1.149 3.946 -5.431 1.00 0.00 C ATOM 396 C MET A 33 -0.757 2.544 -5.906 1.00 0.00 C ATOM 397 O MET A 33 0.127 1.916 -5.359 1.00 0.00 O ATOM 398 CB MET A 33 -2.583 3.942 -4.903 1.00 0.00 C ATOM 399 CG MET A 33 -2.699 4.896 -3.712 1.00 0.00 C ATOM 400 SD MET A 33 -4.411 5.467 -3.560 1.00 0.00 S ATOM 401 CE MET A 33 -5.179 3.845 -3.312 1.00 0.00 C ATOM 0 H MET A 33 -2.022 5.430 -6.693 1.00 0.00 H new ATOM 0 HA MET A 33 -0.430 4.237 -4.665 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.272 4.245 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.867 2.934 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.390 4.391 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.031 5.747 -3.848 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.938 3.681 -4.077 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.418 3.068 -3.384 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.643 3.809 -2.326 1.00 0.00 H new ATOM 411 N MET A 34 -1.416 2.046 -6.919 1.00 0.00 N ATOM 412 CA MET A 34 -1.092 0.681 -7.431 1.00 0.00 C ATOM 413 C MET A 34 0.417 0.529 -7.647 1.00 0.00 C ATOM 414 O MET A 34 1.010 -0.464 -7.276 1.00 0.00 O ATOM 415 CB MET A 34 -1.835 0.574 -8.763 1.00 0.00 C ATOM 416 CG MET A 34 -3.088 -0.285 -8.582 1.00 0.00 C ATOM 417 SD MET A 34 -2.643 -2.035 -8.715 1.00 0.00 S ATOM 418 CE MET A 34 -2.832 -2.451 -6.964 1.00 0.00 C ATOM 0 H MET A 34 -2.166 2.527 -7.415 1.00 0.00 H new ATOM 0 HA MET A 34 -1.388 -0.099 -6.730 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.110 1.567 -9.119 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.185 0.133 -9.519 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.541 -0.087 -7.611 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.830 -0.029 -9.338 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.165 -3.485 -6.869 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.875 -2.330 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.570 -1.789 -6.510 1.00 0.00 H new ATOM 428 N GLN A 35 1.042 1.504 -8.248 1.00 0.00 N ATOM 429 CA GLN A 35 2.511 1.413 -8.490 1.00 0.00 C ATOM 430 C GLN A 35 3.248 1.079 -7.188 1.00 0.00 C ATOM 431 O GLN A 35 3.702 -0.029 -6.987 1.00 0.00 O ATOM 432 CB GLN A 35 2.911 2.801 -8.998 1.00 0.00 C ATOM 433 CG GLN A 35 4.430 2.868 -9.179 1.00 0.00 C ATOM 434 CD GLN A 35 4.768 2.841 -10.670 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.915 1.785 -11.253 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.897 3.966 -11.318 1.00 0.00 N ATOM 0 H GLN A 35 0.600 2.360 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 35 2.765 0.628 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.413 3.009 -9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.585 3.565 -8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.821 3.777 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.905 2.028 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.774 4.853 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.121 3.959 -12.313 1.00 0.00 H new ATOM 445 N HIS A 36 3.377 2.033 -6.308 1.00 0.00 N ATOM 446 CA HIS A 36 4.091 1.776 -5.024 1.00 0.00 C ATOM 447 C HIS A 36 3.475 0.581 -4.290 1.00 0.00 C ATOM 448 O HIS A 36 4.158 -0.365 -3.952 1.00 0.00 O ATOM 449 CB HIS A 36 3.908 3.056 -4.213 1.00 0.00 C ATOM 450 CG HIS A 36 5.095 3.955 -4.422 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.564 4.803 -3.430 1.00 0.00 N ATOM 452 CD2 HIS A 36 5.920 4.150 -5.502 1.00 0.00 C ATOM 453 CE1 HIS A 36 6.625 5.462 -3.929 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.885 5.102 -5.189 1.00 0.00 N ATOM 0 H HIS A 36 3.019 2.981 -6.422 1.00 0.00 H new ATOM 0 HA HIS A 36 5.142 1.534 -5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.994 3.565 -4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.801 2.817 -3.155 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.175 4.908 -2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.833 3.641 -6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.197 6.193 -3.378 1.00 0.00 H new ATOM 462 N ALA A 37 2.189 0.616 -4.040 1.00 0.00 N ATOM 463 CA ALA A 37 1.525 -0.521 -3.327 1.00 0.00 C ATOM 464 C ALA A 37 1.961 -1.856 -3.942 1.00 0.00 C ATOM 465 O ALA A 37 2.048 -2.864 -3.270 1.00 0.00 O ATOM 466 CB ALA A 37 0.025 -0.297 -3.535 1.00 0.00 C ATOM 0 H ALA A 37 1.569 1.384 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 37 1.788 -0.557 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.534 -1.092 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.261 0.666 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.200 -0.305 -4.602 1.00 0.00 H new ATOM 472 N GLN A 38 2.254 -1.860 -5.215 1.00 0.00 N ATOM 473 CA GLN A 38 2.706 -3.119 -5.872 1.00 0.00 C ATOM 474 C GLN A 38 4.190 -3.342 -5.569 1.00 0.00 C ATOM 475 O GLN A 38 4.643 -4.457 -5.406 1.00 0.00 O ATOM 476 CB GLN A 38 2.489 -2.893 -7.369 1.00 0.00 C ATOM 477 CG GLN A 38 1.051 -3.262 -7.738 1.00 0.00 C ATOM 478 CD GLN A 38 0.860 -3.125 -9.249 1.00 0.00 C ATOM 479 OE1 GLN A 38 0.461 -4.063 -9.910 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.129 -1.986 -9.828 1.00 0.00 N ATOM 0 H GLN A 38 2.200 -1.046 -5.827 1.00 0.00 H new ATOM 0 HA GLN A 38 2.163 -3.996 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.685 -1.851 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.190 -3.498 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.835 -4.283 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.351 -2.612 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.464 -1.198 -9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.004 -1.884 -10.835 1.00 0.00 H new ATOM 489 N ASN A 39 4.945 -2.280 -5.479 1.00 0.00 N ATOM 490 CA ASN A 39 6.397 -2.417 -5.171 1.00 0.00 C ATOM 491 C ASN A 39 6.622 -2.244 -3.667 1.00 0.00 C ATOM 492 O ASN A 39 7.692 -1.875 -3.224 1.00 0.00 O ATOM 493 CB ASN A 39 7.078 -1.292 -5.951 1.00 0.00 C ATOM 494 CG ASN A 39 7.511 -1.811 -7.323 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.947 -2.938 -7.449 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.409 -1.031 -8.364 1.00 0.00 N ATOM 0 H ASN A 39 4.618 -1.322 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 39 6.793 -3.394 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.395 -0.451 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.944 -0.925 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.695 -1.367 -9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.043 -0.085 -8.258 1.00 0.00 H new ATOM 503 N LEU A 40 5.614 -2.508 -2.881 1.00 0.00 N ATOM 504 CA LEU A 40 5.746 -2.366 -1.402 1.00 0.00 C ATOM 505 C LEU A 40 6.220 -0.958 -1.032 1.00 0.00 C ATOM 506 O LEU A 40 6.883 -0.759 -0.033 1.00 0.00 O ATOM 507 CB LEU A 40 6.783 -3.413 -0.990 1.00 0.00 C ATOM 508 CG LEU A 40 6.114 -4.785 -0.900 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.228 -5.499 -2.248 1.00 0.00 C ATOM 510 CD2 LEU A 40 6.808 -5.620 0.179 1.00 0.00 C ATOM 0 H LEU A 40 4.697 -2.819 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 40 4.794 -2.515 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.596 -3.440 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.222 -3.147 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 40 5.062 -4.660 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.751 -6.477 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.735 -4.905 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.280 -5.625 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.332 -6.598 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.860 -5.745 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.727 -5.112 1.140 1.00 0.00 H new ATOM 522 N GLU A 41 5.873 0.023 -1.818 1.00 0.00 N ATOM 523 CA GLU A 41 6.291 1.419 -1.498 1.00 0.00 C ATOM 524 C GLU A 41 5.070 2.243 -1.072 1.00 0.00 C ATOM 525 O GLU A 41 5.076 3.456 -1.126 1.00 0.00 O ATOM 526 CB GLU A 41 6.885 1.966 -2.796 1.00 0.00 C ATOM 527 CG GLU A 41 8.270 1.355 -3.021 1.00 0.00 C ATOM 528 CD GLU A 41 9.314 2.151 -2.237 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.434 1.919 -1.045 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.975 2.980 -2.841 1.00 0.00 O ATOM 0 H GLU A 41 5.318 -0.080 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 41 7.008 1.461 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.231 1.730 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.959 3.052 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.276 0.313 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.514 1.363 -4.083 1.00 0.00 H new ATOM 537 N PHE A 42 4.021 1.581 -0.655 1.00 0.00 N ATOM 538 CA PHE A 42 2.783 2.293 -0.230 1.00 0.00 C ATOM 539 C PHE A 42 3.034 3.219 0.964 1.00 0.00 C ATOM 540 O PHE A 42 2.171 3.987 1.331 1.00 0.00 O ATOM 541 CB PHE A 42 1.796 1.188 0.158 1.00 0.00 C ATOM 542 CG PHE A 42 2.416 0.262 1.183 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.705 0.732 2.487 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.695 -1.082 0.844 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.271 -0.140 3.442 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.257 -1.950 1.801 1.00 0.00 C ATOM 547 CZ PHE A 42 3.547 -1.479 3.101 1.00 0.00 C ATOM 0 H PHE A 42 3.971 0.564 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 42 2.408 2.930 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.885 1.630 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.509 0.621 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.492 1.757 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.477 -1.444 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.493 0.220 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.466 -2.977 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.980 -2.145 3.833 1.00 0.00 H new ATOM 557 N GLU A 43 4.189 3.169 1.582 1.00 0.00 N ATOM 558 CA GLU A 43 4.442 4.072 2.748 1.00 0.00 C ATOM 559 C GLU A 43 4.051 5.505 2.375 1.00 0.00 C ATOM 560 O GLU A 43 3.079 6.046 2.865 1.00 0.00 O ATOM 561 CB GLU A 43 5.946 3.973 3.008 1.00 0.00 C ATOM 562 CG GLU A 43 6.336 4.931 4.136 1.00 0.00 C ATOM 563 CD GLU A 43 7.793 5.361 3.959 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.087 5.991 2.957 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.591 5.053 4.829 1.00 0.00 O ATOM 0 H GLU A 43 4.960 2.549 1.333 1.00 0.00 H new ATOM 0 HA GLU A 43 3.864 3.795 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.212 2.951 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.499 4.218 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.684 5.805 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.204 4.445 5.103 1.00 0.00 H new ATOM 572 N GLU A 44 4.786 6.103 1.488 1.00 0.00 N ATOM 573 CA GLU A 44 4.447 7.483 1.045 1.00 0.00 C ATOM 574 C GLU A 44 3.339 7.427 -0.016 1.00 0.00 C ATOM 575 O GLU A 44 2.674 8.406 -0.289 1.00 0.00 O ATOM 576 CB GLU A 44 5.740 8.040 0.448 1.00 0.00 C ATOM 577 CG GLU A 44 6.193 7.153 -0.713 1.00 0.00 C ATOM 578 CD GLU A 44 6.477 8.023 -1.939 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.537 8.330 -2.653 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.629 8.367 -2.143 1.00 0.00 O ATOM 0 H GLU A 44 5.611 5.697 1.047 1.00 0.00 H new ATOM 0 HA GLU A 44 4.081 8.107 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.581 9.060 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.517 8.082 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.088 6.598 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.422 6.418 -0.946 1.00 0.00 H new ATOM 587 N ALA A 45 3.154 6.284 -0.630 1.00 0.00 N ATOM 588 CA ALA A 45 2.111 6.152 -1.691 1.00 0.00 C ATOM 589 C ALA A 45 0.706 6.043 -1.090 1.00 0.00 C ATOM 590 O ALA A 45 -0.198 6.755 -1.479 1.00 0.00 O ATOM 591 CB ALA A 45 2.475 4.862 -2.427 1.00 0.00 C ATOM 0 H ALA A 45 3.684 5.433 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 45 2.091 7.023 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.757 4.685 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.475 4.954 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.452 4.026 -1.728 1.00 0.00 H new ATOM 597 N ALA A 46 0.505 5.150 -0.159 1.00 0.00 N ATOM 598 CA ALA A 46 -0.852 4.996 0.442 1.00 0.00 C ATOM 599 C ALA A 46 -1.387 6.349 0.912 1.00 0.00 C ATOM 600 O ALA A 46 -2.579 6.547 1.022 1.00 0.00 O ATOM 601 CB ALA A 46 -0.670 4.043 1.623 1.00 0.00 C ATOM 0 H ALA A 46 1.219 4.522 0.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.573 4.609 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.630 3.884 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.283 3.089 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.033 4.476 2.334 1.00 0.00 H new ATOM 607 N GLN A 47 -0.521 7.289 1.179 1.00 0.00 N ATOM 608 CA GLN A 47 -1.005 8.626 1.627 1.00 0.00 C ATOM 609 C GLN A 47 -2.001 9.179 0.607 1.00 0.00 C ATOM 610 O GLN A 47 -2.937 9.874 0.950 1.00 0.00 O ATOM 611 CB GLN A 47 0.240 9.509 1.692 1.00 0.00 C ATOM 612 CG GLN A 47 1.293 8.848 2.585 1.00 0.00 C ATOM 613 CD GLN A 47 2.127 9.928 3.276 1.00 0.00 C ATOM 614 OE1 GLN A 47 3.072 10.438 2.709 1.00 0.00 O ATOM 615 NE2 GLN A 47 1.814 10.301 4.487 1.00 0.00 N ATOM 0 H GLN A 47 0.492 7.191 1.107 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.513 8.581 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.642 9.662 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.019 10.492 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.809 8.216 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.937 8.202 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.020 9.873 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.363 11.021 4.957 1.00 0.00 H new ATOM 624 N ILE A 48 -1.814 8.861 -0.647 1.00 0.00 N ATOM 625 CA ILE A 48 -2.758 9.354 -1.690 1.00 0.00 C ATOM 626 C ILE A 48 -4.185 8.964 -1.306 1.00 0.00 C ATOM 627 O ILE A 48 -5.140 9.635 -1.646 1.00 0.00 O ATOM 628 CB ILE A 48 -2.332 8.650 -2.978 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.930 9.119 -3.374 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.317 8.990 -4.097 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.247 8.037 -4.213 1.00 0.00 C ATOM 0 H ILE A 48 -1.049 8.282 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.736 10.438 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.325 7.572 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.992 10.048 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.340 9.329 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.012 8.488 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.316 8.657 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.326 10.068 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.751 8.371 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.171 7.119 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.834 7.849 -5.112 1.00 0.00 H new ATOM 643 N ARG A 49 -4.332 7.885 -0.583 1.00 0.00 N ATOM 644 CA ARG A 49 -5.692 7.443 -0.151 1.00 0.00 C ATOM 645 C ARG A 49 -6.455 8.630 0.454 1.00 0.00 C ATOM 646 O ARG A 49 -7.656 8.745 0.313 1.00 0.00 O ATOM 647 CB ARG A 49 -5.423 6.357 0.901 1.00 0.00 C ATOM 648 CG ARG A 49 -6.701 6.030 1.683 1.00 0.00 C ATOM 649 CD ARG A 49 -6.462 6.284 3.174 1.00 0.00 C ATOM 650 NE ARG A 49 -6.056 7.716 3.268 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.839 8.576 3.858 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.103 8.633 3.539 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.358 9.380 4.766 1.00 0.00 N ATOM 0 H ARG A 49 -3.566 7.288 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.303 7.067 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.049 5.457 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.647 6.694 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.527 6.645 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.984 4.990 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.364 6.092 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.684 5.628 3.565 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.167 8.022 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.478 8.005 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.716 9.306 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.370 9.336 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.970 10.053 5.228 1.00 0.00 H new ATOM 667 N ASP A 50 -5.762 9.514 1.116 1.00 0.00 N ATOM 668 CA ASP A 50 -6.445 10.694 1.718 1.00 0.00 C ATOM 669 C ASP A 50 -6.873 11.664 0.614 1.00 0.00 C ATOM 670 O ASP A 50 -7.925 12.267 0.677 1.00 0.00 O ATOM 671 CB ASP A 50 -5.398 11.340 2.627 1.00 0.00 C ATOM 672 CG ASP A 50 -6.060 12.425 3.478 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.901 13.134 2.949 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.716 12.529 4.644 1.00 0.00 O ATOM 0 H ASP A 50 -4.754 9.471 1.266 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.343 10.419 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.944 10.586 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.597 11.772 2.027 1.00 0.00 H new ATOM 679 N GLN A 51 -6.065 11.812 -0.401 1.00 0.00 N ATOM 680 CA GLN A 51 -6.426 12.736 -1.513 1.00 0.00 C ATOM 681 C GLN A 51 -7.414 12.052 -2.462 1.00 0.00 C ATOM 682 O GLN A 51 -8.296 12.679 -3.015 1.00 0.00 O ATOM 683 CB GLN A 51 -5.107 13.029 -2.232 1.00 0.00 C ATOM 684 CG GLN A 51 -4.089 13.578 -1.230 1.00 0.00 C ATOM 685 CD GLN A 51 -2.694 13.556 -1.858 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.712 13.342 -1.175 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.565 13.770 -3.138 1.00 0.00 N ATOM 0 H GLN A 51 -5.171 11.333 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.904 13.648 -1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.723 12.120 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.270 13.750 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.355 14.596 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.099 12.979 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.390 13.950 -3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.639 13.758 -3.566 1.00 0.00 H new ATOM 696 N LEU A 52 -7.273 10.768 -2.653 1.00 0.00 N ATOM 697 CA LEU A 52 -8.202 10.041 -3.565 1.00 0.00 C ATOM 698 C LEU A 52 -9.616 10.028 -2.978 1.00 0.00 C ATOM 699 O LEU A 52 -10.595 10.126 -3.690 1.00 0.00 O ATOM 700 CB LEU A 52 -7.644 8.619 -3.647 1.00 0.00 C ATOM 701 CG LEU A 52 -7.395 8.249 -5.110 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.711 8.321 -5.886 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.391 9.231 -5.720 1.00 0.00 C ATOM 0 H LEU A 52 -6.554 10.191 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.269 10.511 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.715 8.549 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.345 7.916 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.995 7.237 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.533 8.057 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.428 7.624 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.111 9.333 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.213 8.968 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.792 10.243 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.452 9.182 -5.168 1.00 0.00 H new ATOM 715 N HIS A 53 -9.729 9.906 -1.684 1.00 0.00 N ATOM 716 CA HIS A 53 -11.080 9.885 -1.052 1.00 0.00 C ATOM 717 C HIS A 53 -11.653 11.303 -0.982 1.00 0.00 C ATOM 718 O HIS A 53 -12.807 11.532 -1.286 1.00 0.00 O ATOM 719 CB HIS A 53 -10.852 9.329 0.354 1.00 0.00 C ATOM 720 CG HIS A 53 -10.722 7.832 0.287 1.00 0.00 C ATOM 721 ND1 HIS A 53 -10.056 7.193 -0.747 1.00 0.00 N ATOM 722 CD2 HIS A 53 -11.167 6.835 1.119 1.00 0.00 C ATOM 723 CE1 HIS A 53 -10.119 5.869 -0.513 1.00 0.00 C ATOM 724 NE2 HIS A 53 -10.785 5.596 0.612 1.00 0.00 N ATOM 0 H HIS A 53 -8.945 9.820 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.791 9.283 -1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.951 9.764 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.683 9.604 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.728 6.988 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.684 5.119 -1.157 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.973 4.677 1.013 1.00 0.00 H new ATOM 732 N GLN A 54 -10.857 12.256 -0.581 1.00 0.00 N ATOM 733 CA GLN A 54 -11.358 13.658 -0.491 1.00 0.00 C ATOM 734 C GLN A 54 -11.733 14.176 -1.882 1.00 0.00 C ATOM 735 O GLN A 54 -12.764 14.791 -2.069 1.00 0.00 O ATOM 736 CB GLN A 54 -10.191 14.460 0.084 1.00 0.00 C ATOM 737 CG GLN A 54 -10.715 15.769 0.679 1.00 0.00 C ATOM 738 CD GLN A 54 -9.631 16.844 0.584 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.455 16.541 0.618 1.00 0.00 O ATOM 740 NE2 GLN A 54 -9.979 18.096 0.467 1.00 0.00 N ATOM 0 H GLN A 54 -9.882 12.125 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.251 13.738 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.679 13.879 0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.460 14.670 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.609 16.091 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.002 15.618 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.966 18.350 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.264 18.820 0.404 1.00 0.00 H new ATOM 749 N LEU A 55 -10.904 13.934 -2.860 1.00 0.00 N ATOM 750 CA LEU A 55 -11.215 14.415 -4.237 1.00 0.00 C ATOM 751 C LEU A 55 -12.459 13.704 -4.776 1.00 0.00 C ATOM 752 O LEU A 55 -13.145 14.206 -5.644 1.00 0.00 O ATOM 753 CB LEU A 55 -9.986 14.052 -5.071 1.00 0.00 C ATOM 754 CG LEU A 55 -8.865 15.054 -4.793 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.513 14.407 -5.098 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.051 16.286 -5.683 1.00 0.00 C ATOM 0 H LEU A 55 -10.025 13.425 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.424 15.485 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.654 13.043 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.239 14.058 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.897 15.352 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.714 15.122 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.379 13.529 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.481 14.108 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.252 17.001 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.019 15.986 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.014 16.749 -5.467 1.00 0.00 H new ATOM 768 N ARG A 56 -12.756 12.539 -4.268 1.00 0.00 N ATOM 769 CA ARG A 56 -13.956 11.798 -4.753 1.00 0.00 C ATOM 770 C ARG A 56 -15.224 12.613 -4.483 1.00 0.00 C ATOM 771 O ARG A 56 -15.931 12.997 -5.393 1.00 0.00 O ATOM 772 CB ARG A 56 -13.972 10.499 -3.948 1.00 0.00 C ATOM 773 CG ARG A 56 -15.045 9.564 -4.510 1.00 0.00 C ATOM 774 CD ARG A 56 -15.671 8.759 -3.369 1.00 0.00 C ATOM 775 NE ARG A 56 -16.338 7.606 -4.035 1.00 0.00 N ATOM 776 CZ ARG A 56 -16.421 6.457 -3.422 1.00 0.00 C ATOM 777 NH1 ARG A 56 -16.584 6.418 -2.128 1.00 0.00 N ATOM 778 NH2 ARG A 56 -16.340 5.347 -4.104 1.00 0.00 N ATOM 0 H ARG A 56 -12.220 12.068 -3.539 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.921 11.611 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.995 10.018 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.173 10.712 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.812 10.142 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.606 8.890 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.914 8.422 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.387 9.360 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.730 7.714 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.647 7.286 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.649 5.520 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.212 5.378 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.405 4.449 -3.625 1.00 0.00 H new ATOM 792 N GLU A 57 -15.517 12.880 -3.240 1.00 0.00 N ATOM 793 CA GLU A 57 -16.739 13.670 -2.915 1.00 0.00 C ATOM 794 C GLU A 57 -16.729 14.996 -3.681 1.00 0.00 C ATOM 795 O GLU A 57 -17.750 15.466 -4.141 1.00 0.00 O ATOM 796 CB GLU A 57 -16.661 13.920 -1.408 1.00 0.00 C ATOM 797 CG GLU A 57 -17.871 14.743 -0.964 1.00 0.00 C ATOM 798 CD GLU A 57 -19.148 13.923 -1.164 1.00 0.00 C ATOM 799 OE1 GLU A 57 -19.043 12.710 -1.241 1.00 0.00 O ATOM 800 OE2 GLU A 57 -20.207 14.523 -1.238 1.00 0.00 O ATOM 0 H GLU A 57 -14.964 12.586 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.655 13.149 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.637 12.971 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.739 14.448 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.768 15.025 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.926 15.667 -1.539 1.00 0.00 H new ATOM 807 N LEU A 58 -15.581 15.601 -3.821 1.00 0.00 N ATOM 808 CA LEU A 58 -15.505 16.895 -4.557 1.00 0.00 C ATOM 809 C LEU A 58 -15.880 16.692 -6.029 1.00 0.00 C ATOM 810 O LEU A 58 -16.230 17.625 -6.723 1.00 0.00 O ATOM 811 CB LEU A 58 -14.047 17.337 -4.431 1.00 0.00 C ATOM 812 CG LEU A 58 -13.765 17.763 -2.990 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.255 17.763 -2.743 1.00 0.00 C ATOM 814 CD2 LEU A 58 -14.319 19.170 -2.757 1.00 0.00 C ATOM 0 H LEU A 58 -14.693 15.255 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.193 17.639 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.383 16.521 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.847 18.164 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.245 17.064 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.054 18.067 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.859 16.761 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.774 18.461 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.118 19.475 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.839 19.868 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.395 19.171 -2.932 1.00 0.00 H new ATOM 826 N PHE A 59 -15.809 15.480 -6.510 1.00 0.00 N ATOM 827 CA PHE A 59 -16.162 15.219 -7.936 1.00 0.00 C ATOM 828 C PHE A 59 -17.532 15.819 -8.266 1.00 0.00 C ATOM 829 O PHE A 59 -17.714 16.452 -9.286 1.00 0.00 O ATOM 830 CB PHE A 59 -16.199 13.696 -8.063 1.00 0.00 C ATOM 831 CG PHE A 59 -16.418 13.316 -9.508 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.727 13.278 -10.038 1.00 0.00 C ATOM 833 CD2 PHE A 59 -15.313 12.999 -10.330 1.00 0.00 C ATOM 834 CE1 PHE A 59 -17.931 12.923 -11.390 1.00 0.00 C ATOM 835 CE2 PHE A 59 -15.518 12.644 -11.682 1.00 0.00 C ATOM 836 CZ PHE A 59 -16.827 12.606 -12.212 1.00 0.00 C ATOM 0 H PHE A 59 -15.522 14.659 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.447 15.669 -8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.264 13.267 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -16.998 13.288 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -18.571 13.520 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.312 13.028 -9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.932 12.894 -11.795 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.674 12.402 -12.311 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.984 12.335 -13.246 1.00 0.00 H new ATOM 846 N ILE A 60 -18.497 15.625 -7.409 1.00 0.00 N ATOM 847 CA ILE A 60 -19.853 16.185 -7.675 1.00 0.00 C ATOM 848 C ILE A 60 -19.870 17.687 -7.382 1.00 0.00 C ATOM 849 O ILE A 60 -20.326 18.480 -8.182 1.00 0.00 O ATOM 850 CB ILE A 60 -20.784 15.441 -6.718 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.703 13.938 -6.995 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.222 15.919 -6.929 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.410 13.172 -5.876 1.00 0.00 C ATOM 0 H ILE A 60 -18.406 15.104 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.155 16.061 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.482 15.640 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.166 13.709 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.661 13.626 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.886 15.388 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.282 16.990 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.524 15.720 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.352 12.102 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.927 13.391 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.456 13.476 -5.831 1.00 0.00 H new ATOM 865 N ALA A 61 -19.376 18.085 -6.241 1.00 0.00 N ATOM 866 CA ALA A 61 -19.363 19.536 -5.900 1.00 0.00 C ATOM 867 C ALA A 61 -18.679 20.334 -7.014 1.00 0.00 C ATOM 868 O ALA A 61 -18.923 21.512 -7.187 1.00 0.00 O ATOM 869 CB ALA A 61 -18.561 19.631 -4.602 1.00 0.00 C ATOM 0 H ALA A 61 -18.981 17.468 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 61 -20.368 19.943 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -18.506 20.672 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -19.051 19.041 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.554 19.248 -4.768 1.00 0.00 H new ATOM 875 N ALA A 62 -17.825 19.701 -7.770 1.00 0.00 N ATOM 876 CA ALA A 62 -17.127 20.423 -8.872 1.00 0.00 C ATOM 877 C ALA A 62 -18.000 20.440 -10.129 1.00 0.00 C ATOM 878 O ALA A 62 -18.581 21.448 -10.480 1.00 0.00 O ATOM 879 CB ALA A 62 -15.846 19.625 -9.120 1.00 0.00 C ATOM 0 H ALA A 62 -17.580 18.716 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.917 21.462 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.274 20.094 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.247 19.606 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.102 18.605 -9.407 1.00 0.00 H new ATOM 1059 N PRO B 19 15.395 -19.399 12.551 1.00 0.00 N ATOM 1060 CA PRO B 19 14.525 -19.602 13.740 1.00 0.00 C ATOM 1061 C PRO B 19 13.179 -20.224 13.352 1.00 0.00 C ATOM 1062 O PRO B 19 12.393 -20.593 14.200 1.00 0.00 O ATOM 1063 CB PRO B 19 14.341 -18.192 14.294 1.00 0.00 C ATOM 1064 CG PRO B 19 14.564 -17.288 13.125 1.00 0.00 C ATOM 1065 CD PRO B 19 15.557 -17.974 12.227 1.00 0.00 C ATOM 0 HA PRO B 19 14.960 -20.290 14.465 1.00 0.00 H new ATOM 0 HB2 PRO B 19 13.343 -18.059 14.712 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.052 -17.986 15.094 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.629 -17.102 12.596 1.00 0.00 H new ATOM 0 HG3 PRO B 19 14.943 -16.320 13.452 1.00 0.00 H new ATOM 0 HD2 PRO B 19 15.349 -17.776 11.175 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.574 -17.633 12.420 1.00 0.00 H new ATOM 1073 N LYS B 20 12.917 -20.353 12.080 1.00 0.00 N ATOM 1074 CA LYS B 20 11.626 -20.961 11.616 1.00 0.00 C ATOM 1075 C LYS B 20 10.429 -20.101 12.044 1.00 0.00 C ATOM 1076 O LYS B 20 9.788 -19.472 11.225 1.00 0.00 O ATOM 1077 CB LYS B 20 11.562 -22.349 12.265 1.00 0.00 C ATOM 1078 CG LYS B 20 10.515 -23.202 11.545 1.00 0.00 C ATOM 1079 CD LYS B 20 9.114 -22.705 11.906 1.00 0.00 C ATOM 1080 CE LYS B 20 8.091 -23.806 11.617 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.764 -23.143 11.749 1.00 0.00 N ATOM 0 H LYS B 20 13.545 -20.062 11.331 1.00 0.00 H new ATOM 0 HA LYS B 20 11.584 -21.026 10.529 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.538 -22.832 12.213 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.308 -22.257 13.321 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.665 -23.147 10.467 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.625 -24.248 11.829 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.076 -22.426 12.959 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.874 -21.811 11.330 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.228 -24.220 10.618 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.191 -24.632 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.010 -23.835 11.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.659 -22.765 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.695 -22.365 11.062 1.00 0.00 H new ATOM 1095 N ALA B 21 10.118 -20.063 13.313 1.00 0.00 N ATOM 1096 CA ALA B 21 8.961 -19.238 13.773 1.00 0.00 C ATOM 1097 C ALA B 21 9.095 -17.810 13.242 1.00 0.00 C ATOM 1098 O ALA B 21 8.257 -17.328 12.506 1.00 0.00 O ATOM 1099 CB ALA B 21 9.044 -19.255 15.300 1.00 0.00 C ATOM 0 H ALA B 21 10.613 -20.566 14.049 1.00 0.00 H new ATOM 0 HA ALA B 21 8.006 -19.624 13.415 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.225 -18.668 15.715 1.00 0.00 H new ATOM 0 HB2 ALA B 21 8.972 -20.282 15.657 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.995 -18.826 15.618 1.00 0.00 H new ATOM 1105 N LEU B 22 10.152 -17.137 13.600 1.00 0.00 N ATOM 1106 CA LEU B 22 10.354 -15.747 13.106 1.00 0.00 C ATOM 1107 C LEU B 22 10.339 -15.749 11.570 1.00 0.00 C ATOM 1108 O LEU B 22 9.504 -15.126 10.945 1.00 0.00 O ATOM 1109 CB LEU B 22 11.728 -15.341 13.673 1.00 0.00 C ATOM 1110 CG LEU B 22 12.382 -14.254 12.810 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.437 -13.060 12.691 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.694 -13.809 13.459 1.00 0.00 C ATOM 0 H LEU B 22 10.886 -17.490 14.214 1.00 0.00 H new ATOM 0 HA LEU B 22 9.578 -15.049 13.418 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.611 -14.978 14.694 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.379 -16.214 13.718 1.00 0.00 H new ATOM 0 HG LEU B 22 12.587 -14.652 11.816 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.902 -12.288 12.078 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.504 -13.379 12.227 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.230 -12.660 13.683 1.00 0.00 H new ATOM 0 HD21 LEU B 22 14.159 -13.037 12.846 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.491 -13.411 14.453 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.367 -14.662 13.540 1.00 0.00 H new ATOM 1124 N GLN B 23 11.258 -16.449 10.965 1.00 0.00 N ATOM 1125 CA GLN B 23 11.307 -16.502 9.473 1.00 0.00 C ATOM 1126 C GLN B 23 9.923 -16.834 8.905 1.00 0.00 C ATOM 1127 O GLN B 23 9.546 -16.365 7.850 1.00 0.00 O ATOM 1128 CB GLN B 23 12.303 -17.620 9.154 1.00 0.00 C ATOM 1129 CG GLN B 23 12.418 -17.787 7.637 1.00 0.00 C ATOM 1130 CD GLN B 23 12.642 -19.262 7.301 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.290 -19.975 8.041 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.130 -19.754 6.206 1.00 0.00 N ATOM 0 H GLN B 23 11.981 -16.990 11.440 1.00 0.00 H new ATOM 0 HA GLN B 23 11.605 -15.550 9.034 1.00 0.00 H new ATOM 0 HB2 GLN B 23 13.279 -17.384 9.579 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.975 -18.554 9.609 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.511 -17.426 7.151 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.244 -17.187 7.256 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.586 -19.156 5.584 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.274 -20.736 5.972 1.00 0.00 H new ATOM 1141 N GLN B 24 9.164 -17.637 9.599 1.00 0.00 N ATOM 1142 CA GLN B 24 7.805 -17.993 9.098 1.00 0.00 C ATOM 1143 C GLN B 24 6.864 -16.795 9.238 1.00 0.00 C ATOM 1144 O GLN B 24 6.013 -16.559 8.403 1.00 0.00 O ATOM 1145 CB GLN B 24 7.344 -19.145 9.991 1.00 0.00 C ATOM 1146 CG GLN B 24 5.932 -19.570 9.587 1.00 0.00 C ATOM 1147 CD GLN B 24 5.992 -20.367 8.282 1.00 0.00 C ATOM 1148 OE1 GLN B 24 6.641 -21.392 8.212 1.00 0.00 O ATOM 1149 NE2 GLN B 24 5.339 -19.936 7.238 1.00 0.00 N ATOM 0 H GLN B 24 9.425 -18.061 10.489 1.00 0.00 H new ATOM 0 HA GLN B 24 7.811 -18.272 8.044 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.029 -19.988 9.898 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.357 -18.837 11.036 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.484 -20.175 10.375 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.299 -18.692 9.460 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.794 -19.076 7.297 1.00 0.00 H new ATOM 0 HE22 GLN B 24 5.373 -20.459 6.363 1.00 0.00 H new ATOM 1158 N LYS B 25 7.011 -16.034 10.289 1.00 0.00 N ATOM 1159 CA LYS B 25 6.126 -14.850 10.481 1.00 0.00 C ATOM 1160 C LYS B 25 6.491 -13.751 9.479 1.00 0.00 C ATOM 1161 O LYS B 25 5.634 -13.157 8.856 1.00 0.00 O ATOM 1162 CB LYS B 25 6.396 -14.382 11.912 1.00 0.00 C ATOM 1163 CG LYS B 25 5.223 -14.782 12.810 1.00 0.00 C ATOM 1164 CD LYS B 25 5.271 -16.289 13.072 1.00 0.00 C ATOM 1165 CE LYS B 25 3.857 -16.869 12.979 1.00 0.00 C ATOM 1166 NZ LYS B 25 3.478 -17.186 14.384 1.00 0.00 N ATOM 0 H LYS B 25 7.705 -16.181 11.022 1.00 0.00 H new ATOM 0 HA LYS B 25 5.074 -15.089 10.322 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.320 -14.826 12.283 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.531 -13.301 11.933 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.270 -14.237 13.753 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.279 -14.515 12.334 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.923 -16.774 12.346 1.00 0.00 H new ATOM 0 HD3 LYS B 25 5.691 -16.484 14.059 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.165 -16.153 12.535 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.837 -17.762 12.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.519 -17.588 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.150 -17.875 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.499 -16.316 14.954 1.00 0.00 H new ATOM 1180 N ILE B 26 7.757 -13.480 9.320 1.00 0.00 N ATOM 1181 CA ILE B 26 8.177 -12.421 8.357 1.00 0.00 C ATOM 1182 C ILE B 26 7.595 -12.709 6.971 1.00 0.00 C ATOM 1183 O ILE B 26 6.925 -11.883 6.384 1.00 0.00 O ATOM 1184 CB ILE B 26 9.704 -12.498 8.324 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.262 -12.135 9.702 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.243 -11.515 7.283 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.707 -12.624 9.812 1.00 0.00 C ATOM 0 H ILE B 26 8.519 -13.945 9.814 1.00 0.00 H new ATOM 0 HA ILE B 26 7.826 -11.432 8.651 1.00 0.00 H new ATOM 0 HB ILE B 26 10.010 -13.510 8.061 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.220 -11.056 9.851 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.653 -12.589 10.484 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.331 -11.570 7.260 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.846 -11.771 6.301 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.937 -10.502 7.546 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.105 -12.366 10.793 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.736 -13.706 9.682 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.312 -12.149 9.039 1.00 0.00 H new ATOM 1199 N HIS B 27 7.846 -13.876 6.444 1.00 0.00 N ATOM 1200 CA HIS B 27 7.308 -14.215 5.096 1.00 0.00 C ATOM 1201 C HIS B 27 5.777 -14.163 5.107 1.00 0.00 C ATOM 1202 O HIS B 27 5.144 -14.007 4.082 1.00 0.00 O ATOM 1203 CB HIS B 27 7.795 -15.637 4.822 1.00 0.00 C ATOM 1204 CG HIS B 27 7.802 -15.889 3.340 1.00 0.00 C ATOM 1205 ND1 HIS B 27 7.346 -17.076 2.789 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.206 -15.115 2.280 1.00 0.00 C ATOM 1207 CE1 HIS B 27 7.486 -16.984 1.454 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.006 -15.809 1.090 1.00 0.00 N ATOM 0 H HIS B 27 8.400 -14.609 6.888 1.00 0.00 H new ATOM 0 HA HIS B 27 7.642 -13.515 4.330 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.797 -15.774 5.229 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.146 -16.357 5.321 1.00 0.00 H new ATOM 0 HD2 HIS B 27 8.617 -14.119 2.358 1.00 0.00 H new ATOM 0 HE1 HIS B 27 7.211 -17.765 0.761 1.00 0.00 H new ATOM 0 HE2 HIS B 27 8.212 -15.489 0.144 1.00 0.00 H new ATOM 1216 N GLU B 28 5.179 -14.294 6.259 1.00 0.00 N ATOM 1217 CA GLU B 28 3.689 -14.254 6.337 1.00 0.00 C ATOM 1218 C GLU B 28 3.193 -12.805 6.310 1.00 0.00 C ATOM 1219 O GLU B 28 2.238 -12.479 5.633 1.00 0.00 O ATOM 1220 CB GLU B 28 3.345 -14.913 7.672 1.00 0.00 C ATOM 1221 CG GLU B 28 2.935 -16.368 7.434 1.00 0.00 C ATOM 1222 CD GLU B 28 1.409 -16.475 7.430 1.00 0.00 C ATOM 1223 OE1 GLU B 28 0.816 -16.178 6.406 1.00 0.00 O ATOM 1224 OE2 GLU B 28 0.859 -16.853 8.452 1.00 0.00 O ATOM 0 H GLU B 28 5.657 -14.427 7.150 1.00 0.00 H new ATOM 0 HA GLU B 28 3.219 -14.764 5.496 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.204 -14.871 8.342 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.534 -14.371 8.159 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.337 -16.719 6.484 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.353 -17.006 8.212 1.00 0.00 H new ATOM 1231 N LEU B 29 3.830 -11.935 7.044 1.00 0.00 N ATOM 1232 CA LEU B 29 3.391 -10.510 7.065 1.00 0.00 C ATOM 1233 C LEU B 29 3.719 -9.829 5.732 1.00 0.00 C ATOM 1234 O LEU B 29 2.919 -9.096 5.187 1.00 0.00 O ATOM 1235 CB LEU B 29 4.185 -9.870 8.204 1.00 0.00 C ATOM 1236 CG LEU B 29 3.580 -10.287 9.546 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.657 -10.230 10.631 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.441 -9.332 9.910 1.00 0.00 C ATOM 0 H LEU B 29 4.636 -12.149 7.631 1.00 0.00 H new ATOM 0 HA LEU B 29 2.315 -10.413 7.210 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.229 -10.179 8.152 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.169 -8.784 8.107 1.00 0.00 H new ATOM 0 HG LEU B 29 3.194 -11.303 9.470 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.226 -10.527 11.587 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.470 -10.909 10.373 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.043 -9.214 10.707 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.009 -9.628 10.866 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.828 -8.316 9.986 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.673 -9.371 9.138 1.00 0.00 H new ATOM 1250 N GLU B 30 4.889 -10.065 5.204 1.00 0.00 N ATOM 1251 CA GLU B 30 5.264 -9.428 3.908 1.00 0.00 C ATOM 1252 C GLU B 30 4.303 -9.872 2.801 1.00 0.00 C ATOM 1253 O GLU B 30 3.862 -9.078 1.994 1.00 0.00 O ATOM 1254 CB GLU B 30 6.680 -9.925 3.618 1.00 0.00 C ATOM 1255 CG GLU B 30 7.311 -9.060 2.525 1.00 0.00 C ATOM 1256 CD GLU B 30 7.774 -9.951 1.372 1.00 0.00 C ATOM 1257 OE1 GLU B 30 8.905 -10.406 1.417 1.00 0.00 O ATOM 1258 OE2 GLU B 30 6.989 -10.164 0.462 1.00 0.00 O ATOM 0 H GLU B 30 5.601 -10.670 5.613 1.00 0.00 H new ATOM 0 HA GLU B 30 5.214 -8.340 3.954 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.284 -9.883 4.524 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.653 -10.968 3.301 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.589 -8.327 2.165 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.156 -8.503 2.930 1.00 0.00 H new ATOM 1265 N GLY B 31 3.977 -11.134 2.756 1.00 0.00 N ATOM 1266 CA GLY B 31 3.047 -11.627 1.700 1.00 0.00 C ATOM 1267 C GLY B 31 1.659 -11.015 1.907 1.00 0.00 C ATOM 1268 O GLY B 31 0.864 -10.935 0.992 1.00 0.00 O ATOM 0 H GLY B 31 4.314 -11.846 3.404 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.428 -11.362 0.714 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.984 -12.715 1.736 1.00 0.00 H new ATOM 1272 N LEU B 32 1.361 -10.583 3.102 1.00 0.00 N ATOM 1273 CA LEU B 32 0.022 -9.979 3.363 1.00 0.00 C ATOM 1274 C LEU B 32 -0.060 -8.580 2.744 1.00 0.00 C ATOM 1275 O LEU B 32 -1.070 -8.196 2.187 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.084 -9.899 4.887 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.556 -9.940 5.301 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.113 -11.347 5.076 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.677 -9.576 6.783 1.00 0.00 C ATOM 0 H LEU B 32 1.985 -10.622 3.908 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.787 -10.565 2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.456 -10.729 5.343 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.380 -8.980 5.246 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.121 -9.227 4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.162 -11.375 5.371 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.026 -11.608 4.021 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.548 -12.062 5.675 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.725 -9.605 7.080 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.111 -10.290 7.381 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.281 -8.573 6.945 1.00 0.00 H new ATOM 1291 N MET B 33 0.994 -7.815 2.837 1.00 0.00 N ATOM 1292 CA MET B 33 0.974 -6.442 2.254 1.00 0.00 C ATOM 1293 C MET B 33 0.539 -6.492 0.786 1.00 0.00 C ATOM 1294 O MET B 33 -0.354 -5.782 0.368 1.00 0.00 O ATOM 1295 CB MET B 33 2.415 -5.944 2.362 1.00 0.00 C ATOM 1296 CG MET B 33 2.572 -5.082 3.617 1.00 0.00 C ATOM 1297 SD MET B 33 4.299 -5.115 4.161 1.00 0.00 S ATOM 1298 CE MET B 33 5.030 -4.405 2.664 1.00 0.00 C ATOM 0 H MET B 33 1.868 -8.081 3.291 1.00 0.00 H new ATOM 0 HA MET B 33 0.273 -5.788 2.772 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.100 -6.791 2.403 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.677 -5.365 1.477 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.265 -4.057 3.408 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.923 -5.454 4.410 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.800 -5.075 2.282 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.256 -4.273 1.908 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.475 -3.438 2.900 1.00 0.00 H new ATOM 1308 N MET B 34 1.171 -7.322 0.000 1.00 0.00 N ATOM 1309 CA MET B 34 0.804 -7.418 -1.445 1.00 0.00 C ATOM 1310 C MET B 34 -0.712 -7.573 -1.608 1.00 0.00 C ATOM 1311 O MET B 34 -1.326 -6.925 -2.432 1.00 0.00 O ATOM 1312 CB MET B 34 1.524 -8.668 -1.951 1.00 0.00 C ATOM 1313 CG MET B 34 2.754 -8.256 -2.761 1.00 0.00 C ATOM 1314 SD MET B 34 2.258 -7.889 -4.463 1.00 0.00 S ATOM 1315 CE MET B 34 2.455 -6.093 -4.373 1.00 0.00 C ATOM 0 H MET B 34 1.927 -7.939 0.296 1.00 0.00 H new ATOM 0 HA MET B 34 1.089 -6.524 -1.999 1.00 0.00 H new ATOM 0 HB2 MET B 34 1.822 -9.294 -1.110 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.851 -9.263 -2.569 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.223 -7.381 -2.311 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.494 -9.056 -2.751 1.00 0.00 H new ATOM 0 HE1 MET B 34 2.655 -5.699 -5.369 1.00 0.00 H new ATOM 0 HE2 MET B 34 1.541 -5.646 -3.983 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.288 -5.851 -3.713 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.317 -8.428 -0.832 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.791 -8.627 -0.944 1.00 0.00 C ATOM 1327 C GLN B 35 -3.521 -7.281 -0.868 1.00 0.00 C ATOM 1328 O GLN B 35 -4.000 -6.767 -1.859 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.159 -9.511 0.250 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.677 -9.699 0.307 1.00 0.00 C ATOM 1331 CD GLN B 35 -5.033 -11.119 -0.138 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -5.214 -11.372 -1.312 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -5.140 -12.062 0.757 1.00 0.00 N ATOM 0 H GLN B 35 -0.855 -8.999 -0.124 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.076 -9.082 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.666 -10.479 0.163 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.805 -9.055 1.175 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -5.038 -9.523 1.320 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -5.169 -8.971 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.988 -11.849 1.743 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.376 -13.012 0.471 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.616 -6.713 0.302 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.322 -5.407 0.446 1.00 0.00 C ATOM 1344 C HIS B 36 -3.730 -4.362 -0.506 1.00 0.00 C ATOM 1345 O HIS B 36 -4.435 -3.762 -1.292 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.093 -5.000 1.898 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.257 -5.454 2.735 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.690 -4.747 3.845 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.089 -6.541 2.635 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.740 -5.410 4.364 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -7.025 -6.512 3.665 1.00 0.00 N ATOM 0 H HIS B 36 -3.235 -7.097 1.167 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.381 -5.484 0.200 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.169 -5.443 2.270 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -3.979 -3.918 1.970 1.00 0.00 H new ATOM 0 HD1 HIS B 36 -5.286 -3.882 4.204 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.027 -7.303 1.873 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.286 -5.090 5.239 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.440 -4.138 -0.441 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.800 -3.130 -1.344 1.00 0.00 C ATOM 1361 C ALA B 37 -2.280 -3.333 -2.786 1.00 0.00 C ATOM 1362 O ALA B 37 -2.391 -2.397 -3.553 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.298 -3.401 -1.237 1.00 0.00 C ATOM 0 H ALA B 37 -1.802 -4.610 0.199 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.051 -2.107 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.244 -2.701 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.022 -3.275 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.088 -4.421 -1.560 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.583 -4.550 -3.149 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.076 -4.814 -4.530 1.00 0.00 C ATOM 1371 C GLN B 38 -4.561 -4.453 -4.612 1.00 0.00 C ATOM 1372 O GLN B 38 -5.041 -3.973 -5.619 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.871 -6.314 -4.748 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.448 -6.568 -5.247 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.273 -8.056 -5.556 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -0.911 -8.422 -6.656 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.519 -8.936 -4.623 1.00 0.00 N ATOM 0 H GLN B 38 -2.510 -5.372 -2.549 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.554 -4.227 -5.285 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.043 -6.854 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.594 -6.689 -5.472 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.253 -5.975 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.726 -6.255 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.823 -8.628 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.407 -9.931 -4.818 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.286 -4.671 -3.548 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.737 -4.331 -3.546 1.00 0.00 C ATOM 1388 C ASN B 39 -6.939 -2.939 -2.940 1.00 0.00 C ATOM 1389 O ASN B 39 -7.992 -2.618 -2.426 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.396 -5.400 -2.673 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.860 -6.563 -3.551 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -8.327 -6.357 -4.654 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.751 -7.785 -3.106 1.00 0.00 N ATOM 0 H ASN B 39 -4.934 -5.071 -2.678 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.164 -4.312 -4.549 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.691 -5.756 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.244 -4.974 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.058 -8.567 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.359 -7.958 -2.180 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.929 -2.114 -2.999 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.039 -0.738 -2.434 1.00 0.00 C ATOM 1402 C LEU B 40 -6.469 -0.786 -0.965 1.00 0.00 C ATOM 1403 O LEU B 40 -7.112 0.117 -0.468 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.099 -0.039 -3.287 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.467 0.439 -4.594 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.619 -0.647 -5.661 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.168 1.716 -5.064 1.00 0.00 C ATOM 0 H LEU B 40 -5.026 -2.336 -3.417 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.085 -0.211 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.921 -0.723 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.519 0.807 -2.743 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.409 0.644 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.168 -0.307 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.120 -1.557 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.677 -0.852 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.717 2.057 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.226 1.511 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.061 2.491 -4.305 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.107 -1.824 -0.262 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.483 -1.916 1.178 1.00 0.00 C ATOM 1421 C GLU B 41 -5.235 -1.749 2.053 1.00 0.00 C ATOM 1422 O GLU B 41 -5.208 -2.152 3.198 1.00 0.00 O ATOM 1423 CB GLU B 41 -7.079 -3.313 1.348 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.482 -3.348 0.739 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.495 -2.823 1.759 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.608 -1.615 1.884 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.140 -3.639 2.397 1.00 0.00 O ATOM 0 H GLU B 41 -5.568 -2.612 -0.622 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.189 -1.140 1.474 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.442 -4.053 0.863 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.123 -3.575 2.405 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.513 -2.740 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.738 -4.367 0.448 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.199 -1.162 1.509 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.938 -0.966 2.278 1.00 0.00 C ATOM 1436 C PHE B 42 -3.150 -0.088 3.514 1.00 0.00 C ATOM 1437 O PHE B 42 -2.263 0.039 4.330 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.974 -0.283 1.302 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.599 0.972 0.729 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.847 2.090 1.562 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.921 1.037 -0.647 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.417 3.261 1.019 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.487 2.209 -1.186 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.736 3.321 -0.353 1.00 0.00 C ATOM 0 H PHE B 42 -4.176 -0.807 0.553 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.557 -1.918 2.648 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -1.045 -0.032 1.815 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.717 -0.969 0.495 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.600 2.046 2.612 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.733 0.187 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.609 4.112 1.655 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.731 2.257 -2.237 1.00 0.00 H new ATOM 0 HZ PHE B 42 -4.171 4.219 -0.767 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.299 0.521 3.679 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.514 1.377 4.887 1.00 0.00 C ATOM 1456 C GLU B 43 -4.090 0.606 6.140 1.00 0.00 C ATOM 1457 O GLU B 43 -3.098 0.915 6.769 1.00 0.00 O ATOM 1458 CB GLU B 43 -6.017 1.660 4.911 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.367 2.468 6.162 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.813 2.180 6.569 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.101 1.040 6.893 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.609 3.105 6.549 1.00 0.00 O ATOM 0 H GLU B 43 -5.089 0.464 3.037 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.933 2.299 4.859 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.308 2.211 4.017 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.574 0.723 4.903 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.691 2.208 6.976 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.238 3.533 5.968 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.819 -0.413 6.478 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.449 -1.235 7.663 1.00 0.00 C ATOM 1471 C GLU B 44 -3.357 -2.240 7.272 1.00 0.00 C ATOM 1472 O GLU B 44 -2.668 -2.784 8.113 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.734 -1.962 8.064 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.225 -2.817 6.894 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.499 -4.241 7.382 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.559 -5.016 7.443 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.644 -4.531 7.687 1.00 0.00 O ATOM 0 H GLU B 44 -5.659 -0.716 5.985 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.057 -0.634 8.483 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.552 -2.590 8.936 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.500 -1.240 8.346 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -7.132 -2.386 6.470 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.477 -2.831 6.101 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.210 -2.502 5.998 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.184 -3.483 5.537 1.00 0.00 C ATOM 1486 C ALA B 45 -0.776 -2.880 5.567 1.00 0.00 C ATOM 1487 O ALA B 45 0.142 -3.459 6.114 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.589 -3.813 4.098 1.00 0.00 C ATOM 0 H ALA B 45 -3.761 -2.075 5.253 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.149 -4.362 6.181 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.885 -4.532 3.678 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.592 -4.240 4.091 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.579 -2.902 3.499 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.591 -1.734 4.974 1.00 0.00 N ATOM 1495 CA ALA B 46 0.766 -1.113 4.961 1.00 0.00 C ATOM 1496 C ALA B 46 1.346 -1.059 6.375 1.00 0.00 C ATOM 1497 O ALA B 46 2.544 -1.015 6.558 1.00 0.00 O ATOM 1498 CB ALA B 46 0.561 0.296 4.407 1.00 0.00 C ATOM 0 H ALA B 46 -1.318 -1.200 4.498 1.00 0.00 H new ATOM 0 HA ALA B 46 1.469 -1.686 4.357 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.519 0.815 4.368 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.141 0.235 3.403 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.123 0.845 5.054 1.00 0.00 H new ATOM 1504 N GLN B 47 0.511 -1.071 7.377 1.00 0.00 N ATOM 1505 CA GLN B 47 1.038 -1.031 8.771 1.00 0.00 C ATOM 1506 C GLN B 47 2.037 -2.171 8.975 1.00 0.00 C ATOM 1507 O GLN B 47 2.996 -2.047 9.710 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.181 -1.217 9.672 1.00 0.00 C ATOM 1509 CG GLN B 47 -1.241 -0.168 9.327 1.00 0.00 C ATOM 1510 CD GLN B 47 -2.037 0.187 10.583 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -2.975 -0.499 10.937 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -1.700 1.239 11.279 1.00 0.00 N ATOM 0 H GLN B 47 -0.505 -1.106 7.293 1.00 0.00 H new ATOM 0 HA GLN B 47 1.558 -0.099 8.992 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.591 -2.219 9.543 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.110 -1.124 10.718 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.765 0.725 8.921 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.910 -0.551 8.556 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.913 1.816 10.983 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -2.224 1.484 12.119 1.00 0.00 H new ATOM 1521 N ILE B 48 1.825 -3.281 8.316 1.00 0.00 N ATOM 1522 CA ILE B 48 2.770 -4.424 8.460 1.00 0.00 C ATOM 1523 C ILE B 48 4.190 -3.949 8.155 1.00 0.00 C ATOM 1524 O ILE B 48 5.159 -4.472 8.670 1.00 0.00 O ATOM 1525 CB ILE B 48 2.310 -5.453 7.427 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.917 -5.963 7.801 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.291 -6.626 7.402 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.196 -6.451 6.544 1.00 0.00 C ATOM 0 H ILE B 48 1.039 -3.443 7.686 1.00 0.00 H new ATOM 0 HA ILE B 48 2.776 -4.843 9.466 1.00 0.00 H new ATOM 0 HB ILE B 48 2.275 -4.987 6.442 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.998 -6.774 8.525 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.343 -5.168 8.276 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.963 -7.359 6.665 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.284 -6.264 7.136 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.326 -7.092 8.387 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.796 -6.814 6.812 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.102 -5.628 5.836 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.767 -7.259 6.088 1.00 0.00 H new ATOM 1540 N ARG B 49 4.315 -2.947 7.325 1.00 0.00 N ATOM 1541 CA ARG B 49 5.668 -2.411 6.986 1.00 0.00 C ATOM 1542 C ARG B 49 6.471 -2.176 8.273 1.00 0.00 C ATOM 1543 O ARG B 49 7.673 -2.348 8.307 1.00 0.00 O ATOM 1544 CB ARG B 49 5.382 -1.091 6.255 1.00 0.00 C ATOM 1545 CG ARG B 49 6.660 -0.254 6.128 1.00 0.00 C ATOM 1546 CD ARG B 49 6.449 1.102 6.808 1.00 0.00 C ATOM 1547 NE ARG B 49 6.083 0.781 8.218 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.896 1.098 9.189 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.157 0.774 9.115 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.446 1.739 10.232 1.00 0.00 N ATOM 0 H ARG B 49 3.536 -2.475 6.865 1.00 0.00 H new ATOM 0 HA ARG B 49 6.259 -3.091 6.373 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.977 -1.298 5.264 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.624 -0.526 6.797 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.498 -0.778 6.588 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.912 -0.111 5.077 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.353 1.709 6.765 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.660 1.670 6.316 1.00 0.00 H new ATOM 0 HE ARG B 49 5.199 0.315 8.423 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.508 0.273 8.299 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.793 1.022 9.873 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.460 1.992 10.289 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.081 1.987 10.991 1.00 0.00 H new ATOM 1564 N ASP B 50 5.811 -1.793 9.331 1.00 0.00 N ATOM 1565 CA ASP B 50 6.534 -1.559 10.614 1.00 0.00 C ATOM 1566 C ASP B 50 6.974 -2.896 11.212 1.00 0.00 C ATOM 1567 O ASP B 50 8.042 -3.014 11.777 1.00 0.00 O ATOM 1568 CB ASP B 50 5.517 -0.869 11.524 1.00 0.00 C ATOM 1569 CG ASP B 50 6.220 -0.370 12.788 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.073 -1.084 13.290 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.894 0.718 13.234 1.00 0.00 O ATOM 0 H ASP B 50 4.804 -1.632 9.363 1.00 0.00 H new ATOM 0 HA ASP B 50 7.432 -0.955 10.483 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.052 -0.034 11.000 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.720 -1.563 11.789 1.00 0.00 H new ATOM 1576 N GLN B 51 6.158 -3.908 11.086 1.00 0.00 N ATOM 1577 CA GLN B 51 6.531 -5.241 11.641 1.00 0.00 C ATOM 1578 C GLN B 51 7.488 -5.957 10.685 1.00 0.00 C ATOM 1579 O GLN B 51 8.379 -6.671 11.100 1.00 0.00 O ATOM 1580 CB GLN B 51 5.212 -6.008 11.754 1.00 0.00 C ATOM 1581 CG GLN B 51 4.221 -5.203 12.597 1.00 0.00 C ATOM 1582 CD GLN B 51 2.819 -5.794 12.438 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.839 -5.077 12.456 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.682 -7.082 12.282 1.00 0.00 N ATOM 0 H GLN B 51 5.250 -3.869 10.623 1.00 0.00 H new ATOM 0 HA GLN B 51 7.038 -5.163 12.603 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.798 -6.188 10.762 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.384 -6.983 12.210 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.519 -5.223 13.645 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.225 -4.159 12.284 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.505 -7.684 12.267 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.752 -7.487 12.175 1.00 0.00 H new ATOM 1593 N LEU B 52 7.311 -5.769 9.405 1.00 0.00 N ATOM 1594 CA LEU B 52 8.209 -6.437 8.419 1.00 0.00 C ATOM 1595 C LEU B 52 9.629 -5.877 8.534 1.00 0.00 C ATOM 1596 O LEU B 52 10.602 -6.591 8.394 1.00 0.00 O ATOM 1597 CB LEU B 52 7.612 -6.106 7.051 1.00 0.00 C ATOM 1598 CG LEU B 52 7.337 -7.401 6.285 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.646 -8.169 6.094 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.353 -8.263 7.078 1.00 0.00 C ATOM 0 H LEU B 52 6.583 -5.181 8.999 1.00 0.00 H new ATOM 0 HA LEU B 52 8.277 -7.512 8.585 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.688 -5.541 7.173 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.299 -5.476 6.486 1.00 0.00 H new ATOM 0 HG LEU B 52 6.910 -7.163 5.311 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.450 -9.092 5.548 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.349 -7.556 5.530 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.073 -8.407 7.068 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.157 -9.186 6.533 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.781 -8.501 8.052 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.420 -7.717 7.215 1.00 0.00 H new ATOM 1612 N HIS B 53 9.755 -4.603 8.786 1.00 0.00 N ATOM 1613 CA HIS B 53 11.113 -3.998 8.909 1.00 0.00 C ATOM 1614 C HIS B 53 11.725 -4.340 10.269 1.00 0.00 C ATOM 1615 O HIS B 53 12.880 -4.702 10.367 1.00 0.00 O ATOM 1616 CB HIS B 53 10.888 -2.490 8.787 1.00 0.00 C ATOM 1617 CG HIS B 53 10.716 -2.123 7.338 1.00 0.00 C ATOM 1618 ND1 HIS B 53 10.021 -2.926 6.449 1.00 0.00 N ATOM 1619 CD2 HIS B 53 11.144 -1.040 6.610 1.00 0.00 C ATOM 1620 CE1 HIS B 53 10.050 -2.321 5.247 1.00 0.00 C ATOM 1621 NE2 HIS B 53 10.722 -1.167 5.290 1.00 0.00 N ATOM 0 H HIS B 53 8.978 -3.955 8.912 1.00 0.00 H new ATOM 0 HA HIS B 53 11.800 -4.371 8.150 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.005 -2.196 9.355 1.00 0.00 H new ATOM 0 HB3 HIS B 53 11.734 -1.950 9.212 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.720 -0.215 7.002 1.00 0.00 H new ATOM 0 HE1 HIS B 53 9.587 -2.720 4.357 1.00 0.00 H new ATOM 0 HE2 HIS B 53 10.890 -0.519 4.521 1.00 0.00 H new ATOM 1629 N GLN B 54 10.959 -4.228 11.320 1.00 0.00 N ATOM 1630 CA GLN B 54 11.498 -4.548 12.673 1.00 0.00 C ATOM 1631 C GLN B 54 11.869 -6.030 12.759 1.00 0.00 C ATOM 1632 O GLN B 54 12.914 -6.390 13.264 1.00 0.00 O ATOM 1633 CB GLN B 54 10.360 -4.223 13.641 1.00 0.00 C ATOM 1634 CG GLN B 54 10.926 -4.032 15.049 1.00 0.00 C ATOM 1635 CD GLN B 54 9.869 -4.427 16.082 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.686 -4.303 15.836 1.00 0.00 O ATOM 1637 NE2 GLN B 54 10.249 -4.902 17.237 1.00 0.00 N ATOM 0 H GLN B 54 9.984 -3.929 11.301 1.00 0.00 H new ATOM 0 HA GLN B 54 12.401 -3.982 12.901 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.842 -3.319 13.320 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.626 -5.028 13.639 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.821 -4.640 15.178 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.223 -2.993 15.195 1.00 0.00 H new ATOM 0 HE21 GLN B 54 11.242 -5.006 17.444 1.00 0.00 H new ATOM 0 HE22 GLN B 54 9.553 -5.169 17.933 1.00 0.00 H new ATOM 1646 N LEU B 55 11.022 -6.894 12.269 1.00 0.00 N ATOM 1647 CA LEU B 55 11.329 -8.352 12.324 1.00 0.00 C ATOM 1648 C LEU B 55 12.547 -8.669 11.453 1.00 0.00 C ATOM 1649 O LEU B 55 13.236 -9.647 11.664 1.00 0.00 O ATOM 1650 CB LEU B 55 10.080 -9.041 11.773 1.00 0.00 C ATOM 1651 CG LEU B 55 8.991 -9.060 12.845 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.618 -9.160 12.178 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.200 -10.267 13.762 1.00 0.00 C ATOM 0 H LEU B 55 10.132 -6.654 11.833 1.00 0.00 H new ATOM 0 HA LEU B 55 11.566 -8.687 13.334 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.723 -8.516 10.887 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.320 -10.059 11.465 1.00 0.00 H new ATOM 0 HG LEU B 55 9.044 -8.143 13.431 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.842 -9.174 12.943 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.468 -8.301 11.524 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.565 -10.077 11.591 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.424 -10.281 14.527 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.148 -11.184 13.175 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.178 -10.197 14.239 1.00 0.00 H new ATOM 1665 N ARG B 56 12.819 -7.848 10.475 1.00 0.00 N ATOM 1666 CA ARG B 56 13.993 -8.103 9.592 1.00 0.00 C ATOM 1667 C ARG B 56 15.286 -8.085 10.413 1.00 0.00 C ATOM 1668 O ARG B 56 15.991 -9.071 10.500 1.00 0.00 O ATOM 1669 CB ARG B 56 13.985 -6.958 8.579 1.00 0.00 C ATOM 1670 CG ARG B 56 15.025 -7.232 7.491 1.00 0.00 C ATOM 1671 CD ARG B 56 15.642 -5.910 7.029 1.00 0.00 C ATOM 1672 NE ARG B 56 16.270 -6.218 5.715 1.00 0.00 N ATOM 1673 CZ ARG B 56 16.329 -5.301 4.789 1.00 0.00 C ATOM 1674 NH1 ARG B 56 16.507 -4.051 5.119 1.00 0.00 N ATOM 1675 NH2 ARG B 56 16.210 -5.634 3.532 1.00 0.00 N ATOM 0 H ARG B 56 12.279 -7.012 10.249 1.00 0.00 H new ATOM 0 HA ARG B 56 13.939 -9.077 9.105 1.00 0.00 H new ATOM 0 HB2 ARG B 56 12.995 -6.859 8.134 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.206 -6.015 9.079 1.00 0.00 H new ATOM 0 HG2 ARG B 56 15.802 -7.894 7.874 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.559 -7.742 6.648 1.00 0.00 H new ATOM 0 HD2 ARG B 56 14.884 -5.133 6.932 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.380 -5.547 7.744 1.00 0.00 H new ATOM 0 HE ARG B 56 16.654 -7.146 5.539 1.00 0.00 H new ATOM 0 HH11 ARG B 56 16.600 -3.791 6.101 1.00 0.00 H new ATOM 0 HH12 ARG B 56 16.553 -3.334 4.395 1.00 0.00 H new ATOM 0 HH21 ARG B 56 16.071 -6.611 3.274 1.00 0.00 H new ATOM 0 HH22 ARG B 56 16.256 -4.917 2.808 1.00 0.00 H new ATOM 1689 N GLU B 57 15.601 -6.972 11.016 1.00 0.00 N ATOM 1690 CA GLU B 57 16.848 -6.893 11.831 1.00 0.00 C ATOM 1691 C GLU B 57 16.864 -8.008 12.880 1.00 0.00 C ATOM 1692 O GLU B 57 17.891 -8.589 13.167 1.00 0.00 O ATOM 1693 CB GLU B 57 16.794 -5.522 12.506 1.00 0.00 C ATOM 1694 CG GLU B 57 18.032 -5.337 13.386 1.00 0.00 C ATOM 1695 CD GLU B 57 19.283 -5.298 12.506 1.00 0.00 C ATOM 1696 OE1 GLU B 57 19.145 -5.022 11.326 1.00 0.00 O ATOM 1697 OE2 GLU B 57 20.358 -5.545 13.028 1.00 0.00 O ATOM 0 H GLU B 57 15.050 -6.114 10.980 1.00 0.00 H new ATOM 0 HA GLU B 57 17.746 -7.013 11.225 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.749 -4.736 11.753 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.890 -5.437 13.109 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.949 -4.414 13.959 1.00 0.00 H new ATOM 0 HG3 GLU B 57 18.105 -6.153 14.105 1.00 0.00 H new ATOM 1704 N LEU B 58 15.731 -8.312 13.453 1.00 0.00 N ATOM 1705 CA LEU B 58 15.681 -9.390 14.482 1.00 0.00 C ATOM 1706 C LEU B 58 16.033 -10.741 13.854 1.00 0.00 C ATOM 1707 O LEU B 58 16.400 -11.677 14.537 1.00 0.00 O ATOM 1708 CB LEU B 58 14.237 -9.391 14.984 1.00 0.00 C ATOM 1709 CG LEU B 58 13.983 -8.131 15.814 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.477 -7.889 15.929 1.00 0.00 C ATOM 1711 CD2 LEU B 58 14.578 -8.315 17.212 1.00 0.00 C ATOM 0 H LEU B 58 14.838 -7.861 13.253 1.00 0.00 H new ATOM 0 HA LEU B 58 16.394 -9.222 15.290 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.548 -9.428 14.140 1.00 0.00 H new ATOM 0 HB3 LEU B 58 14.051 -10.280 15.587 1.00 0.00 H new ATOM 0 HG LEU B 58 14.451 -7.275 15.328 1.00 0.00 H new ATOM 0 HD11 LEU B 58 12.297 -6.991 16.520 1.00 0.00 H new ATOM 0 HD12 LEU B 58 12.052 -7.759 14.934 1.00 0.00 H new ATOM 0 HD13 LEU B 58 12.007 -8.744 16.415 1.00 0.00 H new ATOM 0 HD21 LEU B 58 14.398 -7.418 17.805 1.00 0.00 H new ATOM 0 HD22 LEU B 58 14.109 -9.171 17.697 1.00 0.00 H new ATOM 0 HD23 LEU B 58 15.651 -8.487 17.131 1.00 0.00 H new ATOM 1723 N PHE B 59 15.924 -10.853 12.556 1.00 0.00 N ATOM 1724 CA PHE B 59 16.252 -12.145 11.886 1.00 0.00 C ATOM 1725 C PHE B 59 17.634 -12.639 12.325 1.00 0.00 C ATOM 1726 O PHE B 59 17.820 -13.800 12.632 1.00 0.00 O ATOM 1727 CB PHE B 59 16.247 -11.828 10.391 1.00 0.00 C ATOM 1728 CG PHE B 59 16.437 -13.103 9.605 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.738 -13.606 9.378 1.00 0.00 C ATOM 1730 CD2 PHE B 59 15.314 -13.795 9.097 1.00 0.00 C ATOM 1731 CE1 PHE B 59 17.916 -14.799 8.643 1.00 0.00 C ATOM 1732 CE2 PHE B 59 15.492 -14.988 8.362 1.00 0.00 C ATOM 1733 CZ PHE B 59 16.793 -15.490 8.135 1.00 0.00 C ATOM 0 H PHE B 59 15.622 -10.105 11.931 1.00 0.00 H new ATOM 0 HA PHE B 59 15.541 -12.931 12.140 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.306 -11.353 10.112 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.043 -11.121 10.156 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.596 -13.078 9.767 1.00 0.00 H new ATOM 0 HD2 PHE B 59 14.320 -13.411 9.271 1.00 0.00 H new ATOM 0 HE1 PHE B 59 18.910 -15.183 8.469 1.00 0.00 H new ATOM 0 HE2 PHE B 59 14.634 -15.516 7.974 1.00 0.00 H new ATOM 0 HZ PHE B 59 16.929 -16.402 7.573 1.00 0.00 H new ATOM 1743 N ILE B 60 18.603 -11.766 12.358 1.00 0.00 N ATOM 1744 CA ILE B 60 19.971 -12.188 12.779 1.00 0.00 C ATOM 1745 C ILE B 60 20.031 -12.340 14.301 1.00 0.00 C ATOM 1746 O ILE B 60 20.498 -13.336 14.816 1.00 0.00 O ATOM 1747 CB ILE B 60 20.893 -11.061 12.314 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.767 -10.893 10.798 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.340 -11.406 12.669 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.467 -9.603 10.367 1.00 0.00 C ATOM 0 H ILE B 60 18.508 -10.781 12.112 1.00 0.00 H new ATOM 0 HA ILE B 60 20.257 -13.150 12.353 1.00 0.00 H new ATOM 0 HB ILE B 60 20.609 -10.132 12.809 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.212 -11.748 10.289 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.716 -10.862 10.511 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.998 -10.602 12.337 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.431 -11.527 13.748 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.624 -12.335 12.175 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.377 -9.484 9.287 1.00 0.00 H new ATOM 0 HD12 ILE B 60 21.002 -8.753 10.866 1.00 0.00 H new ATOM 0 HD13 ILE B 60 22.521 -9.652 10.640 1.00 0.00 H new ATOM 1762 N ALA B 61 19.562 -11.360 15.024 1.00 0.00 N ATOM 1763 CA ALA B 61 19.593 -11.451 16.512 1.00 0.00 C ATOM 1764 C ALA B 61 18.917 -12.745 16.975 1.00 0.00 C ATOM 1765 O ALA B 61 19.190 -13.250 18.045 1.00 0.00 O ATOM 1766 CB ALA B 61 18.810 -10.232 16.999 1.00 0.00 C ATOM 0 H ALA B 61 19.159 -10.501 14.650 1.00 0.00 H new ATOM 0 HA ALA B 61 20.609 -11.465 16.905 1.00 0.00 H new ATOM 0 HB1 ALA B 61 18.787 -10.226 18.089 1.00 0.00 H new ATOM 0 HB2 ALA B 61 19.293 -9.323 16.642 1.00 0.00 H new ATOM 0 HB3 ALA B 61 17.791 -10.277 16.615 1.00 0.00 H new ATOM 1772 N ALA B 62 18.036 -13.283 16.176 1.00 0.00 N ATOM 1773 CA ALA B 62 17.344 -14.544 16.571 1.00 0.00 C ATOM 1774 C ALA B 62 18.203 -15.756 16.200 1.00 0.00 C ATOM 1775 O ALA B 62 18.806 -16.384 17.048 1.00 0.00 O ATOM 1776 CB ALA B 62 16.040 -14.546 15.773 1.00 0.00 C ATOM 0 H ALA B 62 17.766 -12.905 15.268 1.00 0.00 H new ATOM 0 HA ALA B 62 17.165 -14.599 17.645 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.471 -15.445 16.008 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.452 -13.666 16.034 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.266 -14.528 14.707 1.00 0.00 H new ATOM 1782 N SER B 63 18.263 -16.089 14.940 1.00 0.00 N ATOM 1783 CA SER B 63 19.083 -17.260 14.517 1.00 0.00 C ATOM 1784 C SER B 63 19.231 -17.279 12.993 1.00 0.00 C ATOM 1785 O SER B 63 19.444 -18.351 12.452 1.00 0.00 O ATOM 1786 CB SER B 63 18.303 -18.484 14.995 1.00 0.00 C ATOM 1787 OG SER B 63 18.681 -18.788 16.331 1.00 0.00 O ATOM 1788 OXT SER B 63 19.129 -16.221 12.395 1.00 0.00 O ATOM 0 H SER B 63 17.780 -15.601 14.185 1.00 0.00 H new ATOM 0 HA SER B 63 20.090 -17.231 14.934 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.232 -18.290 14.943 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.505 -19.335 14.345 1.00 0.00 H new ATOM 0 HG SER B 63 18.996 -17.973 16.775 1.00 0.00 H new