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 K(o=0,f=-0.54) USER MOD Single : A 24 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00244) USER MOD Single : A 27 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.12) USER MOD Single : A 33 MET CE :methyl -174:sc= -1.95 (180deg=-2.11) USER MOD Single : A 34 MET CE :methyl -159:sc= -2.76 (180deg=-3.88!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 38 GLN : amide:sc= -0.0851 K(o=-0.085,f=-2.4!) USER MOD Single : A 39 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 51 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 24 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : B 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00577) USER MOD Single : B 27 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.13) USER MOD Single : B 33 MET CE :methyl -173:sc= -1.93 (180deg=-2.09) USER MOD Single : B 34 MET CE :methyl -161:sc= -2.71 (180deg=-3.87!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.35) USER MOD Single : B 38 GLN : amide:sc= -0.0736 K(o=-0.074,f=-2.4!) USER MOD Single : B 39 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 51 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 63 SER OG : rot -50:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.599 17.384 -13.058 1.00 0.00 N ATOM 163 CA PRO A 19 -15.011 18.667 -13.498 1.00 0.00 C ATOM 164 C PRO A 19 -13.676 18.457 -14.230 1.00 0.00 C ATOM 165 O PRO A 19 -12.898 19.376 -14.386 1.00 0.00 O ATOM 166 CB PRO A 19 -14.805 19.423 -12.191 1.00 0.00 C ATOM 167 CG PRO A 19 -14.691 18.373 -11.124 1.00 0.00 C ATOM 168 CD PRO A 19 -15.243 17.075 -11.671 1.00 0.00 C ATOM 0 HA PRO A 19 -15.645 19.199 -14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.906 20.037 -12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.641 20.094 -11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.650 18.247 -10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.243 18.675 -10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.503 16.276 -11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.112 16.742 -11.103 1.00 0.00 H new ATOM 176 N LYS A 20 -13.419 17.262 -14.698 1.00 0.00 N ATOM 177 CA LYS A 20 -12.146 16.979 -15.442 1.00 0.00 C ATOM 178 C LYS A 20 -10.917 17.151 -14.540 1.00 0.00 C ATOM 179 O LYS A 20 -10.227 16.197 -14.236 1.00 0.00 O ATOM 180 CB LYS A 20 -12.111 17.987 -16.596 1.00 0.00 C ATOM 181 CG LYS A 20 -11.195 17.463 -17.704 1.00 0.00 C ATOM 182 CD LYS A 20 -9.772 17.979 -17.476 1.00 0.00 C ATOM 183 CE LYS A 20 -9.514 19.183 -18.384 1.00 0.00 C ATOM 184 NZ LYS A 20 -8.843 18.618 -19.589 1.00 0.00 N ATOM 0 H LYS A 20 -14.041 16.460 -14.597 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.120 15.949 -15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.117 18.145 -16.985 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.752 18.952 -16.239 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.201 16.373 -17.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.560 17.790 -18.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.640 18.263 -16.432 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.050 17.190 -17.686 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.445 19.685 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.883 19.922 -17.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.633 19.384 -20.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.957 18.153 -19.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.470 17.923 -20.042 1.00 0.00 H new ATOM 198 N ALA A 21 -10.627 18.356 -14.121 1.00 0.00 N ATOM 199 CA ALA A 21 -9.431 18.591 -13.251 1.00 0.00 C ATOM 200 C ALA A 21 -9.366 17.559 -12.119 1.00 0.00 C ATOM 201 O ALA A 21 -8.330 16.988 -11.844 1.00 0.00 O ATOM 202 CB ALA A 21 -9.630 19.995 -12.681 1.00 0.00 C ATOM 0 H ALA A 21 -11.168 19.192 -14.344 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.499 18.498 -13.809 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.793 20.245 -12.029 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.682 20.715 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.557 20.027 -12.109 1.00 0.00 H new ATOM 208 N LEU A 22 -10.467 17.312 -11.467 1.00 0.00 N ATOM 209 CA LEU A 22 -10.471 16.313 -10.360 1.00 0.00 C ATOM 210 C LEU A 22 -10.564 14.909 -10.946 1.00 0.00 C ATOM 211 O LEU A 22 -9.905 13.988 -10.505 1.00 0.00 O ATOM 212 CB LEU A 22 -11.722 16.628 -9.539 1.00 0.00 C ATOM 213 CG LEU A 22 -11.463 17.850 -8.657 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.321 19.090 -9.539 1.00 0.00 C ATOM 215 CD2 LEU A 22 -12.636 18.041 -7.694 1.00 0.00 C ATOM 0 H LEU A 22 -11.365 17.758 -11.652 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.568 16.360 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.566 16.818 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.989 15.771 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.546 17.701 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.136 19.963 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.486 18.954 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.239 19.239 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.452 18.912 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.553 18.192 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.740 17.156 -7.067 1.00 0.00 H new ATOM 227 N GLN A 23 -11.387 14.745 -11.941 1.00 0.00 N ATOM 228 CA GLN A 23 -11.542 13.404 -12.576 1.00 0.00 C ATOM 229 C GLN A 23 -10.173 12.825 -12.946 1.00 0.00 C ATOM 230 O GLN A 23 -9.865 11.690 -12.640 1.00 0.00 O ATOM 231 CB GLN A 23 -12.373 13.655 -13.835 1.00 0.00 C ATOM 232 CG GLN A 23 -12.580 12.336 -14.582 1.00 0.00 C ATOM 233 CD GLN A 23 -13.028 12.624 -16.015 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.627 13.647 -16.282 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.760 11.760 -16.956 1.00 0.00 N ATOM 0 H GLN A 23 -11.963 15.484 -12.345 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.018 12.687 -11.907 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.337 14.088 -13.567 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.868 14.375 -14.479 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.654 11.761 -14.588 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.328 11.730 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.257 10.901 -16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.053 11.944 -17.916 1.00 0.00 H new ATOM 244 N GLN A 24 -9.349 13.596 -13.602 1.00 0.00 N ATOM 245 CA GLN A 24 -8.002 13.089 -13.990 1.00 0.00 C ATOM 246 C GLN A 24 -7.084 13.029 -12.766 1.00 0.00 C ATOM 247 O GLN A 24 -6.199 12.200 -12.681 1.00 0.00 O ATOM 248 CB GLN A 24 -7.476 14.102 -15.007 1.00 0.00 C ATOM 249 CG GLN A 24 -6.262 13.516 -15.731 1.00 0.00 C ATOM 250 CD GLN A 24 -6.734 12.549 -16.819 1.00 0.00 C ATOM 251 OE1 GLN A 24 -7.220 12.967 -17.851 1.00 0.00 O ATOM 252 NE2 GLN A 24 -6.612 11.264 -16.630 1.00 0.00 N ATOM 0 H GLN A 24 -9.550 14.555 -13.886 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.044 12.081 -14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.257 14.350 -15.726 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.200 15.029 -14.504 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.668 14.316 -16.173 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.618 12.996 -15.022 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.204 10.912 -15.764 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.925 10.611 -17.348 1.00 0.00 H new ATOM 261 N LYS A 25 -7.286 13.902 -11.818 1.00 0.00 N ATOM 262 CA LYS A 25 -6.423 13.896 -10.601 1.00 0.00 C ATOM 263 C LYS A 25 -6.731 12.668 -9.739 1.00 0.00 C ATOM 264 O LYS A 25 -5.839 11.991 -9.267 1.00 0.00 O ATOM 265 CB LYS A 25 -6.781 15.180 -9.854 1.00 0.00 C ATOM 266 CG LYS A 25 -5.849 16.309 -10.299 1.00 0.00 C ATOM 267 CD LYS A 25 -6.483 17.659 -9.960 1.00 0.00 C ATOM 268 CE LYS A 25 -5.529 18.463 -9.075 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.525 19.037 -10.014 1.00 0.00 N ATOM 0 H LYS A 25 -8.011 14.619 -11.832 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.362 13.851 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.818 15.451 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.692 15.024 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.883 16.214 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.665 16.241 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.700 18.211 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.432 17.508 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.058 19.248 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.053 17.827 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.855 19.631 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.009 18.266 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.010 19.616 -10.729 1.00 0.00 H new ATOM 283 N ILE A 26 -7.986 12.378 -9.530 1.00 0.00 N ATOM 284 CA ILE A 26 -8.349 11.196 -8.696 1.00 0.00 C ATOM 285 C ILE A 26 -8.003 9.900 -9.434 1.00 0.00 C ATOM 286 O ILE A 26 -7.439 8.984 -8.868 1.00 0.00 O ATOM 287 CB ILE A 26 -9.859 11.308 -8.489 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.179 12.629 -7.786 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.344 10.141 -7.625 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.683 12.899 -7.868 1.00 0.00 C ATOM 0 H ILE A 26 -8.775 12.907 -9.900 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.807 11.176 -7.750 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.362 11.278 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.863 12.585 -6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.626 13.445 -8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.421 10.221 -7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.115 9.199 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.842 10.171 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.912 13.840 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.985 12.962 -8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.225 12.088 -7.382 1.00 0.00 H new ATOM 302 N HIS A 27 -8.336 9.815 -10.693 1.00 0.00 N ATOM 303 CA HIS A 27 -8.027 8.576 -11.465 1.00 0.00 C ATOM 304 C HIS A 27 -6.513 8.415 -11.627 1.00 0.00 C ATOM 305 O HIS A 27 -6.014 7.327 -11.836 1.00 0.00 O ATOM 306 CB HIS A 27 -8.692 8.781 -12.826 1.00 0.00 C ATOM 307 CG HIS A 27 -10.071 8.181 -12.805 1.00 0.00 C ATOM 308 ND1 HIS A 27 -10.884 8.159 -13.928 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.793 7.575 -11.808 1.00 0.00 C ATOM 310 CE1 HIS A 27 -12.037 7.559 -13.582 1.00 0.00 C ATOM 311 NE2 HIS A 27 -12.035 7.183 -12.299 1.00 0.00 N ATOM 0 H HIS A 27 -8.808 10.549 -11.221 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.389 7.678 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.750 9.844 -13.058 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.093 8.316 -13.609 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.449 7.425 -10.795 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.864 7.400 -14.258 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.782 6.711 -11.790 1.00 0.00 H new ATOM 319 N GLU A 28 -5.778 9.489 -11.533 1.00 0.00 N ATOM 320 CA GLU A 28 -4.297 9.394 -11.685 1.00 0.00 C ATOM 321 C GLU A 28 -3.659 8.905 -10.381 1.00 0.00 C ATOM 322 O GLU A 28 -2.713 8.142 -10.390 1.00 0.00 O ATOM 323 CB GLU A 28 -3.839 10.818 -12.004 1.00 0.00 C ATOM 324 CG GLU A 28 -3.927 11.055 -13.514 1.00 0.00 C ATOM 325 CD GLU A 28 -2.670 10.509 -14.191 1.00 0.00 C ATOM 326 OE1 GLU A 28 -2.439 9.314 -14.095 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.956 11.295 -14.794 1.00 0.00 O ATOM 0 H GLU A 28 -6.138 10.427 -11.358 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.008 8.688 -12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.462 11.539 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.816 10.968 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.813 10.565 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.030 12.120 -13.720 1.00 0.00 H new ATOM 334 N LEU A 29 -4.165 9.340 -9.260 1.00 0.00 N ATOM 335 CA LEU A 29 -3.585 8.899 -7.959 1.00 0.00 C ATOM 336 C LEU A 29 -4.044 7.477 -7.630 1.00 0.00 C ATOM 337 O LEU A 29 -3.301 6.684 -7.084 1.00 0.00 O ATOM 338 CB LEU A 29 -4.124 9.890 -6.927 1.00 0.00 C ATOM 339 CG LEU A 29 -3.052 10.933 -6.612 1.00 0.00 C ATOM 340 CD1 LEU A 29 -2.850 11.843 -7.825 1.00 0.00 C ATOM 341 CD2 LEU A 29 -3.498 11.775 -5.414 1.00 0.00 C ATOM 0 H LEU A 29 -4.955 9.982 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.495 8.884 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.020 10.378 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.412 9.363 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.115 10.429 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.085 12.586 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.534 11.245 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.787 12.347 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.734 12.519 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.436 12.277 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.642 11.129 -4.548 1.00 0.00 H new ATOM 353 N GLU A 30 -5.262 7.145 -7.958 1.00 0.00 N ATOM 354 CA GLU A 30 -5.767 5.773 -7.665 1.00 0.00 C ATOM 355 C GLU A 30 -4.824 4.724 -8.261 1.00 0.00 C ATOM 356 O GLU A 30 -4.456 3.767 -7.610 1.00 0.00 O ATOM 357 CB GLU A 30 -7.140 5.704 -8.336 1.00 0.00 C ATOM 358 CG GLU A 30 -7.805 4.368 -8.000 1.00 0.00 C ATOM 359 CD GLU A 30 -7.935 3.528 -9.272 1.00 0.00 C ATOM 360 OE1 GLU A 30 -8.829 3.806 -10.053 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.136 2.622 -9.443 1.00 0.00 O ATOM 0 H GLU A 30 -5.930 7.764 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.827 5.575 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.765 6.529 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.035 5.809 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.214 3.833 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.789 4.539 -7.562 1.00 0.00 H new ATOM 368 N GLY A 31 -4.429 4.900 -9.491 1.00 0.00 N ATOM 369 CA GLY A 31 -3.510 3.912 -10.126 1.00 0.00 C ATOM 370 C GLY A 31 -2.132 4.002 -9.467 1.00 0.00 C ATOM 371 O GLY A 31 -1.401 3.033 -9.402 1.00 0.00 O ATOM 0 H GLY A 31 -4.702 5.684 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.911 2.904 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.428 4.110 -11.195 1.00 0.00 H new ATOM 375 N LEU A 32 -1.773 5.157 -8.978 1.00 0.00 N ATOM 376 CA LEU A 32 -0.442 5.309 -8.322 1.00 0.00 C ATOM 377 C LEU A 32 -0.341 4.378 -7.110 1.00 0.00 C ATOM 378 O LEU A 32 0.685 3.779 -6.858 1.00 0.00 O ATOM 379 CB LEU A 32 -0.383 6.772 -7.882 1.00 0.00 C ATOM 380 CG LEU A 32 0.927 7.398 -8.362 1.00 0.00 C ATOM 381 CD1 LEU A 32 0.840 7.675 -9.864 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.165 8.712 -7.616 1.00 0.00 C ATOM 0 H LEU A 32 -2.343 6.002 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 32 0.380 5.051 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.232 7.320 -8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.454 6.839 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 32 1.751 6.712 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.774 8.121 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.668 6.740 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.016 8.361 -10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.098 9.160 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.340 9.397 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.226 8.517 -6.545 1.00 0.00 H new ATOM 394 N MET A 33 -1.400 4.256 -6.356 1.00 0.00 N ATOM 395 CA MET A 33 -1.370 3.367 -5.159 1.00 0.00 C ATOM 396 C MET A 33 -0.864 1.972 -5.540 1.00 0.00 C ATOM 397 O MET A 33 -0.159 1.330 -4.787 1.00 0.00 O ATOM 398 CB MET A 33 -2.823 3.299 -4.685 1.00 0.00 C ATOM 399 CG MET A 33 -3.104 4.461 -3.728 1.00 0.00 C ATOM 400 SD MET A 33 -4.857 4.905 -3.815 1.00 0.00 S ATOM 401 CE MET A 33 -5.527 3.308 -3.288 1.00 0.00 C ATOM 0 H MET A 33 -2.286 4.734 -6.518 1.00 0.00 H new ATOM 0 HA MET A 33 -0.702 3.742 -4.384 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.498 3.347 -5.540 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.009 2.349 -4.184 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.840 4.179 -2.709 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.487 5.320 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.614 3.324 -3.372 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.125 2.518 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.246 3.120 -2.252 1.00 0.00 H new ATOM 411 N MET A 34 -1.222 1.495 -6.701 1.00 0.00 N ATOM 412 CA MET A 34 -0.767 0.139 -7.128 1.00 0.00 C ATOM 413 C MET A 34 0.666 0.194 -7.662 1.00 0.00 C ATOM 414 O MET A 34 1.415 -0.758 -7.554 1.00 0.00 O ATOM 415 CB MET A 34 -1.733 -0.264 -8.242 1.00 0.00 C ATOM 416 CG MET A 34 -1.325 -1.627 -8.804 1.00 0.00 C ATOM 417 SD MET A 34 -2.807 -2.568 -9.241 1.00 0.00 S ATOM 418 CE MET A 34 -3.493 -2.696 -7.571 1.00 0.00 C ATOM 0 H MET A 34 -1.811 1.986 -7.374 1.00 0.00 H new ATOM 0 HA MET A 34 -0.767 -0.572 -6.302 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.751 -0.308 -7.856 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.724 0.485 -9.034 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.693 -1.496 -9.682 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.738 -2.175 -8.067 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.193 -3.531 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.686 -2.862 -6.858 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.014 -1.772 -7.320 1.00 0.00 H new ATOM 428 N GLN A 35 1.052 1.295 -8.247 1.00 0.00 N ATOM 429 CA GLN A 35 2.436 1.409 -8.799 1.00 0.00 C ATOM 430 C GLN A 35 3.475 0.928 -7.775 1.00 0.00 C ATOM 431 O GLN A 35 3.947 -0.189 -7.840 1.00 0.00 O ATOM 432 CB GLN A 35 2.619 2.898 -9.103 1.00 0.00 C ATOM 433 CG GLN A 35 4.049 3.154 -9.586 1.00 0.00 C ATOM 434 CD GLN A 35 4.034 3.456 -11.087 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.432 2.634 -11.887 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.588 4.610 -11.503 1.00 0.00 N ATOM 0 H GLN A 35 0.469 2.123 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 35 2.574 0.791 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.906 3.214 -9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.415 3.489 -8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.484 3.991 -9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.673 2.283 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.254 5.300 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.574 4.822 -12.501 1.00 0.00 H new ATOM 445 N HIS A 36 3.836 1.758 -6.835 1.00 0.00 N ATOM 446 CA HIS A 36 4.846 1.336 -5.822 1.00 0.00 C ATOM 447 C HIS A 36 4.382 0.064 -5.107 1.00 0.00 C ATOM 448 O HIS A 36 5.179 -0.773 -4.732 1.00 0.00 O ATOM 449 CB HIS A 36 4.934 2.503 -4.838 1.00 0.00 C ATOM 450 CG HIS A 36 6.165 3.315 -5.132 1.00 0.00 C ATOM 451 ND1 HIS A 36 6.713 3.393 -6.403 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.967 4.089 -4.330 1.00 0.00 C ATOM 453 CE1 HIS A 36 7.796 4.189 -6.329 1.00 0.00 C ATOM 454 NE2 HIS A 36 7.996 4.640 -5.088 1.00 0.00 N ATOM 0 H HIS A 36 3.477 2.706 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 36 5.812 1.110 -6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.045 3.128 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.968 2.128 -3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.821 4.246 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.427 4.433 -7.171 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.742 5.256 -4.765 1.00 0.00 H new ATOM 462 N ALA A 37 3.099 -0.092 -4.916 1.00 0.00 N ATOM 463 CA ALA A 37 2.585 -1.314 -4.229 1.00 0.00 C ATOM 464 C ALA A 37 3.170 -2.570 -4.881 1.00 0.00 C ATOM 465 O ALA A 37 3.526 -3.521 -4.213 1.00 0.00 O ATOM 466 CB ALA A 37 1.070 -1.269 -4.425 1.00 0.00 C ATOM 0 H ALA A 37 2.384 0.575 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 37 2.861 -1.343 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.615 -2.137 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.672 -0.358 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.840 -1.280 -5.491 1.00 0.00 H new ATOM 472 N GLN A 38 3.276 -2.576 -6.182 1.00 0.00 N ATOM 473 CA GLN A 38 3.841 -3.767 -6.881 1.00 0.00 C ATOM 474 C GLN A 38 5.262 -4.044 -6.384 1.00 0.00 C ATOM 475 O GLN A 38 5.649 -5.177 -6.178 1.00 0.00 O ATOM 476 CB GLN A 38 3.855 -3.387 -8.363 1.00 0.00 C ATOM 477 CG GLN A 38 2.528 -3.793 -9.006 1.00 0.00 C ATOM 478 CD GLN A 38 2.701 -3.874 -10.524 1.00 0.00 C ATOM 479 OE1 GLN A 38 3.796 -3.732 -11.031 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.659 -4.100 -11.276 1.00 0.00 N ATOM 0 H GLN A 38 2.996 -1.808 -6.792 1.00 0.00 H new ATOM 0 HA GLN A 38 3.258 -4.670 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.011 -2.314 -8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.683 -3.883 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.202 -4.756 -8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.753 -3.068 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.740 -4.219 -10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.764 -4.157 -12.289 1.00 0.00 H new ATOM 489 N ASN A 39 6.041 -3.015 -6.185 1.00 0.00 N ATOM 490 CA ASN A 39 7.435 -3.218 -5.696 1.00 0.00 C ATOM 491 C ASN A 39 7.469 -3.186 -4.163 1.00 0.00 C ATOM 492 O ASN A 39 8.510 -3.018 -3.560 1.00 0.00 O ATOM 493 CB ASN A 39 8.233 -2.049 -6.275 1.00 0.00 C ATOM 494 CG ASN A 39 8.663 -2.382 -7.705 1.00 0.00 C ATOM 495 OD1 ASN A 39 8.706 -3.535 -8.086 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.986 -1.414 -8.517 1.00 0.00 N ATOM 0 H ASN A 39 5.772 -2.043 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 39 7.844 -4.181 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.627 -1.143 -6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.109 -1.852 -5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.275 -1.625 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.950 -0.446 -8.197 1.00 0.00 H new ATOM 503 N LEU A 40 6.338 -3.348 -3.531 1.00 0.00 N ATOM 504 CA LEU A 40 6.303 -3.326 -2.039 1.00 0.00 C ATOM 505 C LEU A 40 6.924 -2.034 -1.507 1.00 0.00 C ATOM 506 O LEU A 40 7.340 -1.955 -0.368 1.00 0.00 O ATOM 507 CB LEU A 40 7.119 -4.542 -1.601 1.00 0.00 C ATOM 508 CG LEU A 40 6.209 -5.769 -1.533 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.315 -6.557 -2.839 1.00 0.00 C ATOM 510 CD2 LEU A 40 6.641 -6.658 -0.364 1.00 0.00 C ATOM 0 H LEU A 40 5.436 -3.495 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 40 5.284 -3.363 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.934 -4.719 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.572 -4.358 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 40 5.177 -5.449 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.666 -7.431 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.009 -5.924 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.346 -6.878 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.993 -7.533 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.672 -6.978 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.565 -6.097 0.567 1.00 0.00 H new ATOM 522 N GLU A 41 6.976 -1.016 -2.319 1.00 0.00 N ATOM 523 CA GLU A 41 7.555 0.278 -1.859 1.00 0.00 C ATOM 524 C GLU A 41 6.444 1.308 -1.693 1.00 0.00 C ATOM 525 O GLU A 41 6.677 2.500 -1.729 1.00 0.00 O ATOM 526 CB GLU A 41 8.508 0.716 -2.969 1.00 0.00 C ATOM 527 CG GLU A 41 9.792 -0.110 -2.900 1.00 0.00 C ATOM 528 CD GLU A 41 10.740 0.502 -1.867 1.00 0.00 C ATOM 529 OE1 GLU A 41 10.614 0.164 -0.702 1.00 0.00 O ATOM 530 OE2 GLU A 41 11.575 1.301 -2.259 1.00 0.00 O ATOM 0 H GLU A 41 6.642 -1.023 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 41 8.065 0.180 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.033 0.587 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.740 1.776 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.560 -1.140 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.272 -0.137 -3.878 1.00 0.00 H new ATOM 537 N PHE A 42 5.229 0.861 -1.538 1.00 0.00 N ATOM 538 CA PHE A 42 4.109 1.806 -1.402 1.00 0.00 C ATOM 539 C PHE A 42 3.999 2.423 -0.003 1.00 0.00 C ATOM 540 O PHE A 42 2.946 2.897 0.375 1.00 0.00 O ATOM 541 CB PHE A 42 2.851 0.999 -1.748 1.00 0.00 C ATOM 542 CG PHE A 42 2.623 -0.166 -0.788 1.00 0.00 C ATOM 543 CD1 PHE A 42 3.528 -0.465 0.272 1.00 0.00 C ATOM 544 CD2 PHE A 42 1.471 -0.968 -0.961 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.270 -1.553 1.135 1.00 0.00 C ATOM 546 CE2 PHE A 42 1.220 -2.053 -0.096 1.00 0.00 C ATOM 547 CZ PHE A 42 2.118 -2.345 0.950 1.00 0.00 C ATOM 0 H PHE A 42 4.972 -0.125 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 42 4.255 2.659 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.983 1.658 -1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.937 0.616 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.411 0.140 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.779 -0.748 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.956 -1.779 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.338 -2.661 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.924 -3.177 1.611 1.00 0.00 H new ATOM 557 N GLU A 43 5.063 2.463 0.763 1.00 0.00 N ATOM 558 CA GLU A 43 4.970 3.103 2.108 1.00 0.00 C ATOM 559 C GLU A 43 4.391 4.506 1.921 1.00 0.00 C ATOM 560 O GLU A 43 3.356 4.848 2.458 1.00 0.00 O ATOM 561 CB GLU A 43 6.413 3.169 2.618 1.00 0.00 C ATOM 562 CG GLU A 43 6.470 4.020 3.889 1.00 0.00 C ATOM 563 CD GLU A 43 7.930 4.284 4.262 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.782 3.538 3.808 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.172 5.228 4.996 1.00 0.00 O ATOM 0 H GLU A 43 5.978 2.085 0.518 1.00 0.00 H new ATOM 0 HA GLU A 43 4.334 2.563 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.783 2.165 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.061 3.597 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.948 4.964 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.962 3.507 4.706 1.00 0.00 H new ATOM 572 N GLU A 44 5.040 5.300 1.116 1.00 0.00 N ATOM 573 CA GLU A 44 4.524 6.663 0.833 1.00 0.00 C ATOM 574 C GLU A 44 3.436 6.571 -0.244 1.00 0.00 C ATOM 575 O GLU A 44 2.574 7.422 -0.344 1.00 0.00 O ATOM 576 CB GLU A 44 5.730 7.457 0.324 1.00 0.00 C ATOM 577 CG GLU A 44 6.261 6.825 -0.965 1.00 0.00 C ATOM 578 CD GLU A 44 7.190 7.814 -1.672 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.917 9.002 -1.609 1.00 0.00 O ATOM 580 OE2 GLU A 44 8.159 7.368 -2.264 1.00 0.00 O ATOM 0 H GLU A 44 5.910 5.060 0.641 1.00 0.00 H new ATOM 0 HA GLU A 44 4.082 7.139 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.444 8.493 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.513 7.472 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.798 5.904 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.432 6.557 -1.620 1.00 0.00 H new ATOM 587 N ALA A 45 3.474 5.542 -1.058 1.00 0.00 N ATOM 588 CA ALA A 45 2.443 5.401 -2.133 1.00 0.00 C ATOM 589 C ALA A 45 1.070 5.089 -1.530 1.00 0.00 C ATOM 590 O ALA A 45 0.087 5.730 -1.844 1.00 0.00 O ATOM 591 CB ALA A 45 2.915 4.232 -3.000 1.00 0.00 C ATOM 0 H ALA A 45 4.171 4.798 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 45 2.336 6.321 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.205 4.071 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.896 4.461 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.981 3.331 -2.391 1.00 0.00 H new ATOM 597 N ALA A 46 0.989 4.104 -0.676 1.00 0.00 N ATOM 598 CA ALA A 46 -0.330 3.755 -0.072 1.00 0.00 C ATOM 599 C ALA A 46 -0.939 4.976 0.617 1.00 0.00 C ATOM 600 O ALA A 46 -2.143 5.096 0.728 1.00 0.00 O ATOM 601 CB ALA A 46 -0.035 2.646 0.939 1.00 0.00 C ATOM 0 H ALA A 46 1.774 3.529 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.050 3.429 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.962 2.339 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.406 1.792 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.662 3.015 1.691 1.00 0.00 H new ATOM 607 N GLN A 47 -0.127 5.890 1.071 1.00 0.00 N ATOM 608 CA GLN A 47 -0.685 7.101 1.736 1.00 0.00 C ATOM 609 C GLN A 47 -1.648 7.807 0.782 1.00 0.00 C ATOM 610 O GLN A 47 -2.607 8.428 1.196 1.00 0.00 O ATOM 611 CB GLN A 47 0.520 7.989 2.040 1.00 0.00 C ATOM 612 CG GLN A 47 1.347 7.364 3.165 1.00 0.00 C ATOM 613 CD GLN A 47 1.914 8.470 4.057 1.00 0.00 C ATOM 614 OE1 GLN A 47 3.069 8.831 3.936 1.00 0.00 O ATOM 615 NE2 GLN A 47 1.147 9.027 4.953 1.00 0.00 N ATOM 0 H GLN A 47 0.891 5.852 1.011 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.240 6.861 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.133 8.106 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.186 8.985 2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.727 6.689 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.158 6.768 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.178 8.724 5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.516 9.765 5.552 1.00 0.00 H new ATOM 624 N ILE A 48 -1.406 7.707 -0.499 1.00 0.00 N ATOM 625 CA ILE A 48 -2.313 8.360 -1.486 1.00 0.00 C ATOM 626 C ILE A 48 -3.753 7.917 -1.225 1.00 0.00 C ATOM 627 O ILE A 48 -4.697 8.627 -1.509 1.00 0.00 O ATOM 628 CB ILE A 48 -1.834 7.867 -2.852 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.427 8.405 -3.121 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.785 8.365 -3.943 1.00 0.00 C ATOM 631 CD1 ILE A 48 0.142 7.745 -4.378 1.00 0.00 C ATOM 0 H ILE A 48 -0.618 7.201 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.292 9.448 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.818 6.777 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.459 9.487 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.220 8.203 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.441 8.012 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.788 7.984 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.804 9.455 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.144 8.129 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.188 6.666 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.501 7.969 -5.229 1.00 0.00 H new ATOM 643 N ARG A 49 -3.922 6.747 -0.670 1.00 0.00 N ATOM 644 CA ARG A 49 -5.294 6.251 -0.368 1.00 0.00 C ATOM 645 C ARG A 49 -6.040 7.300 0.466 1.00 0.00 C ATOM 646 O ARG A 49 -7.251 7.391 0.432 1.00 0.00 O ATOM 647 CB ARG A 49 -5.065 4.957 0.425 1.00 0.00 C ATOM 648 CG ARG A 49 -6.360 4.510 1.112 1.00 0.00 C ATOM 649 CD ARG A 49 -6.156 4.504 2.629 1.00 0.00 C ATOM 650 NE ARG A 49 -5.739 5.893 2.973 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.500 6.631 3.733 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.781 6.711 3.493 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.981 7.289 4.734 1.00 0.00 N ATOM 0 H ARG A 49 -3.166 6.112 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.899 6.071 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.712 4.172 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.286 5.114 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.176 5.182 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.642 3.515 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.074 4.228 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.395 3.781 2.921 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.860 6.266 2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.187 6.196 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.376 7.288 4.087 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.980 7.226 4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.576 7.866 5.328 1.00 0.00 H new ATOM 667 N ASP A 50 -5.320 8.095 1.208 1.00 0.00 N ATOM 668 CA ASP A 50 -5.981 9.143 2.037 1.00 0.00 C ATOM 669 C ASP A 50 -6.417 10.309 1.148 1.00 0.00 C ATOM 670 O ASP A 50 -7.429 10.938 1.383 1.00 0.00 O ATOM 671 CB ASP A 50 -4.912 9.595 3.034 1.00 0.00 C ATOM 672 CG ASP A 50 -5.552 10.485 4.100 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.128 11.496 3.732 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.455 10.142 5.266 1.00 0.00 O ATOM 0 H ASP A 50 -4.303 8.065 1.277 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.873 8.774 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.446 8.728 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.123 10.140 2.515 1.00 0.00 H new ATOM 679 N GLN A 51 -5.660 10.599 0.124 1.00 0.00 N ATOM 680 CA GLN A 51 -6.033 11.720 -0.785 1.00 0.00 C ATOM 681 C GLN A 51 -7.129 11.264 -1.752 1.00 0.00 C ATOM 682 O GLN A 51 -7.959 12.042 -2.177 1.00 0.00 O ATOM 683 CB GLN A 51 -4.750 12.057 -1.548 1.00 0.00 C ATOM 684 CG GLN A 51 -3.628 12.361 -0.553 1.00 0.00 C ATOM 685 CD GLN A 51 -2.290 12.410 -1.293 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.271 12.023 -0.756 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.249 12.877 -2.511 1.00 0.00 N ATOM 0 H GLN A 51 -4.800 10.108 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.421 12.583 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.466 11.222 -2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.916 12.916 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.816 13.313 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.599 11.596 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.104 13.202 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.362 12.917 -3.012 1.00 0.00 H new ATOM 696 N LEU A 52 -7.135 10.006 -2.099 1.00 0.00 N ATOM 697 CA LEU A 52 -8.177 9.494 -3.035 1.00 0.00 C ATOM 698 C LEU A 52 -9.565 9.619 -2.401 1.00 0.00 C ATOM 699 O LEU A 52 -10.524 9.985 -3.050 1.00 0.00 O ATOM 700 CB LEU A 52 -7.817 8.022 -3.256 1.00 0.00 C ATOM 701 CG LEU A 52 -7.738 7.729 -4.755 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.100 7.992 -5.400 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.687 8.638 -5.398 1.00 0.00 C ATOM 0 H LEU A 52 -6.463 9.310 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.205 10.053 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.862 7.796 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.565 7.381 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.460 6.686 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.043 7.783 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.850 7.346 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.379 9.035 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.630 8.430 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.966 9.681 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.716 8.452 -4.940 1.00 0.00 H new ATOM 715 N HIS A 53 -9.677 9.315 -1.137 1.00 0.00 N ATOM 716 CA HIS A 53 -11.002 9.413 -0.459 1.00 0.00 C ATOM 717 C HIS A 53 -11.299 10.866 -0.079 1.00 0.00 C ATOM 718 O HIS A 53 -12.439 11.266 0.040 1.00 0.00 O ATOM 719 CB HIS A 53 -10.868 8.549 0.796 1.00 0.00 C ATOM 720 CG HIS A 53 -12.234 8.131 1.266 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.825 8.678 2.394 1.00 0.00 N ATOM 722 CD2 HIS A 53 -13.135 7.222 0.773 1.00 0.00 C ATOM 723 CE1 HIS A 53 -14.030 8.097 2.540 1.00 0.00 C ATOM 724 NE2 HIS A 53 -14.269 7.202 1.579 1.00 0.00 N ATOM 0 H HIS A 53 -8.908 9.003 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.818 9.080 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.261 7.670 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.356 9.106 1.581 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.987 6.614 -0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.720 8.327 3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.103 6.627 1.461 1.00 0.00 H new ATOM 732 N GLN A 54 -10.284 11.661 0.115 1.00 0.00 N ATOM 733 CA GLN A 54 -10.513 13.087 0.490 1.00 0.00 C ATOM 734 C GLN A 54 -10.839 13.922 -0.752 1.00 0.00 C ATOM 735 O GLN A 54 -11.612 14.858 -0.698 1.00 0.00 O ATOM 736 CB GLN A 54 -9.193 13.547 1.109 1.00 0.00 C ATOM 737 CG GLN A 54 -9.204 13.255 2.611 1.00 0.00 C ATOM 738 CD GLN A 54 -9.880 14.411 3.351 1.00 0.00 C ATOM 739 OE1 GLN A 54 -11.008 14.290 3.789 1.00 0.00 O ATOM 740 NE2 GLN A 54 -9.236 15.535 3.508 1.00 0.00 N ATOM 0 H GLN A 54 -9.305 11.386 0.030 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.352 13.201 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.358 13.033 0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.050 14.614 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.735 12.324 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.185 13.123 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.290 15.636 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.679 16.312 3.998 1.00 0.00 H new ATOM 749 N LEU A 55 -10.244 13.599 -1.867 1.00 0.00 N ATOM 750 CA LEU A 55 -10.506 14.382 -3.111 1.00 0.00 C ATOM 751 C LEU A 55 -11.959 14.225 -3.567 1.00 0.00 C ATOM 752 O LEU A 55 -12.505 15.087 -4.227 1.00 0.00 O ATOM 753 CB LEU A 55 -9.552 13.797 -4.153 1.00 0.00 C ATOM 754 CG LEU A 55 -8.378 14.753 -4.364 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.136 14.202 -3.661 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.096 14.889 -5.862 1.00 0.00 C ATOM 0 H LEU A 55 -9.587 12.826 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.348 15.449 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.188 12.824 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.078 13.637 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.626 15.730 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.300 14.884 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.336 14.103 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.887 13.225 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.259 15.570 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.848 13.912 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.980 15.282 -6.364 1.00 0.00 H new ATOM 768 N ARG A 56 -12.591 13.135 -3.232 1.00 0.00 N ATOM 769 CA ARG A 56 -14.005 12.939 -3.663 1.00 0.00 C ATOM 770 C ARG A 56 -14.898 14.044 -3.083 1.00 0.00 C ATOM 771 O ARG A 56 -15.944 14.356 -3.618 1.00 0.00 O ATOM 772 CB ARG A 56 -14.402 11.562 -3.120 1.00 0.00 C ATOM 773 CG ARG A 56 -14.514 11.608 -1.593 1.00 0.00 C ATOM 774 CD ARG A 56 -15.976 11.816 -1.194 1.00 0.00 C ATOM 775 NE ARG A 56 -16.635 10.507 -1.451 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.867 10.310 -1.069 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.218 10.564 0.162 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.749 9.858 -1.918 1.00 0.00 N ATOM 0 H ARG A 56 -12.193 12.374 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.119 12.989 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.354 11.253 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.661 10.819 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.137 10.680 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.899 12.416 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.062 12.102 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.436 12.611 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.123 9.763 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.529 10.917 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.181 10.410 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.475 9.659 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.712 9.704 -1.619 1.00 0.00 H new ATOM 792 N GLU A 57 -14.492 14.638 -1.993 1.00 0.00 N ATOM 793 CA GLU A 57 -15.317 15.720 -1.382 1.00 0.00 C ATOM 794 C GLU A 57 -15.190 17.004 -2.205 1.00 0.00 C ATOM 795 O GLU A 57 -16.146 17.730 -2.394 1.00 0.00 O ATOM 796 CB GLU A 57 -14.735 15.923 0.019 1.00 0.00 C ATOM 797 CG GLU A 57 -14.718 14.587 0.765 1.00 0.00 C ATOM 798 CD GLU A 57 -14.326 14.823 2.225 1.00 0.00 C ATOM 799 OE1 GLU A 57 -13.270 15.388 2.451 1.00 0.00 O ATOM 800 OE2 GLU A 57 -15.091 14.433 3.093 1.00 0.00 O ATOM 0 H GLU A 57 -13.626 14.421 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.376 15.464 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.724 16.325 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.331 16.651 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.700 14.116 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.011 13.904 0.293 1.00 0.00 H new ATOM 807 N LEU A 58 -14.015 17.288 -2.696 1.00 0.00 N ATOM 808 CA LEU A 58 -13.823 18.524 -3.508 1.00 0.00 C ATOM 809 C LEU A 58 -14.781 18.529 -4.705 1.00 0.00 C ATOM 810 O LEU A 58 -15.053 19.560 -5.288 1.00 0.00 O ATOM 811 CB LEU A 58 -12.371 18.464 -3.983 1.00 0.00 C ATOM 812 CG LEU A 58 -11.464 19.107 -2.933 1.00 0.00 C ATOM 813 CD1 LEU A 58 -10.586 18.033 -2.289 1.00 0.00 C ATOM 814 CD2 LEU A 58 -10.573 20.156 -3.605 1.00 0.00 C ATOM 0 H LEU A 58 -13.179 16.718 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.028 19.429 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.074 17.429 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.267 18.983 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.076 19.583 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.940 18.492 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.218 17.284 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.973 17.557 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.926 20.616 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.962 19.678 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.197 20.922 -4.065 1.00 0.00 H new ATOM 826 N PHE A 59 -15.291 17.385 -5.077 1.00 0.00 N ATOM 827 CA PHE A 59 -16.231 17.320 -6.237 1.00 0.00 C ATOM 828 C PHE A 59 -17.317 18.396 -6.111 1.00 0.00 C ATOM 829 O PHE A 59 -17.670 19.050 -7.073 1.00 0.00 O ATOM 830 CB PHE A 59 -16.847 15.922 -6.164 1.00 0.00 C ATOM 831 CG PHE A 59 -17.908 15.775 -7.229 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.552 15.837 -8.594 1.00 0.00 C ATOM 833 CD2 PHE A 59 -19.257 15.575 -6.859 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.545 15.701 -9.591 1.00 0.00 C ATOM 835 CE2 PHE A 59 -20.250 15.439 -7.854 1.00 0.00 C ATOM 836 CZ PHE A 59 -19.894 15.501 -9.221 1.00 0.00 C ATOM 0 H PHE A 59 -15.097 16.490 -4.627 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.726 17.497 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.074 15.166 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.283 15.757 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.521 15.988 -8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.529 15.526 -5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.273 15.750 -10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -21.281 15.288 -7.571 1.00 0.00 H new ATOM 0 HZ PHE A 59 -20.653 15.396 -9.982 1.00 0.00 H new ATOM 846 N ILE A 60 -17.847 18.584 -4.934 1.00 0.00 N ATOM 847 CA ILE A 60 -18.907 19.617 -4.752 1.00 0.00 C ATOM 848 C ILE A 60 -18.289 21.017 -4.759 1.00 0.00 C ATOM 849 O ILE A 60 -18.886 21.968 -5.221 1.00 0.00 O ATOM 850 CB ILE A 60 -19.530 19.311 -3.390 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.181 17.927 -3.427 1.00 0.00 C ATOM 852 CG2 ILE A 60 -20.590 20.364 -3.065 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.300 17.379 -2.004 1.00 0.00 C ATOM 0 H ILE A 60 -17.593 18.068 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 60 -19.647 19.594 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 60 -18.755 19.328 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.167 17.990 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.586 17.250 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.034 20.146 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -20.127 21.350 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.366 20.348 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.764 16.393 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.308 17.301 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.913 18.052 -1.405 1.00 0.00 H new ATOM 865 N ALA A 61 -17.094 21.150 -4.251 1.00 0.00 N ATOM 866 CA ALA A 61 -16.437 22.488 -4.229 1.00 0.00 C ATOM 867 C ALA A 61 -15.917 22.848 -5.624 1.00 0.00 C ATOM 868 O ALA A 61 -15.663 23.998 -5.924 1.00 0.00 O ATOM 869 CB ALA A 61 -15.277 22.343 -3.245 1.00 0.00 C ATOM 0 H ALA A 61 -16.544 20.390 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.125 23.280 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.741 23.289 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.664 22.069 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.597 21.567 -3.596 1.00 0.00 H new ATOM 875 N ALA A 62 -15.757 21.875 -6.481 1.00 0.00 N ATOM 876 CA ALA A 62 -15.253 22.167 -7.854 1.00 0.00 C ATOM 877 C ALA A 62 -16.405 22.123 -8.862 1.00 0.00 C ATOM 878 O ALA A 62 -16.651 23.072 -9.579 1.00 0.00 O ATOM 879 CB ALA A 62 -14.241 21.060 -8.147 1.00 0.00 C ATOM 0 H ALA A 62 -15.953 20.892 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.806 23.158 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.823 21.204 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.440 21.095 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.738 20.091 -8.098 1.00 0.00 H new ATOM 1059 N PRO B 19 15.500 -17.800 12.618 1.00 0.00 N ATOM 1060 CA PRO B 19 14.923 -18.575 13.738 1.00 0.00 C ATOM 1061 C PRO B 19 13.567 -19.192 13.360 1.00 0.00 C ATOM 1062 O PRO B 19 12.801 -19.587 14.215 1.00 0.00 O ATOM 1063 CB PRO B 19 14.764 -17.533 14.838 1.00 0.00 C ATOM 1064 CG PRO B 19 14.659 -16.210 14.136 1.00 0.00 C ATOM 1065 CD PRO B 19 15.173 -16.376 12.724 1.00 0.00 C ATOM 0 HA PRO B 19 15.547 -19.419 14.032 1.00 0.00 H new ATOM 0 HB2 PRO B 19 13.875 -17.729 15.437 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.616 -17.549 15.518 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.624 -15.868 14.125 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.239 -15.453 14.664 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.420 -16.086 11.991 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.049 -15.753 12.545 1.00 0.00 H new ATOM 1073 N LYS B 20 13.277 -19.295 12.089 1.00 0.00 N ATOM 1074 CA LYS B 20 11.981 -19.904 11.637 1.00 0.00 C ATOM 1075 C LYS B 20 10.778 -19.063 12.086 1.00 0.00 C ATOM 1076 O LYS B 20 10.080 -18.488 11.275 1.00 0.00 O ATOM 1077 CB LYS B 20 11.934 -21.296 12.276 1.00 0.00 C ATOM 1078 CG LYS B 20 10.980 -22.191 11.482 1.00 0.00 C ATOM 1079 CD LYS B 20 9.573 -22.091 12.075 1.00 0.00 C ATOM 1080 CE LYS B 20 9.312 -23.299 12.978 1.00 0.00 C ATOM 1081 NZ LYS B 20 8.602 -24.280 12.111 1.00 0.00 N ATOM 0 H LYS B 20 13.887 -18.981 11.334 1.00 0.00 H new ATOM 0 HA LYS B 20 11.929 -19.953 10.549 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.932 -21.734 12.292 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.602 -21.221 13.312 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.967 -21.888 10.435 1.00 0.00 H new ATOM 0 HG3 LYS B 20 11.326 -23.224 11.511 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.472 -21.168 12.646 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.832 -22.054 11.276 1.00 0.00 H new ATOM 0 HE2 LYS B 20 10.244 -23.714 13.362 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.706 -23.023 13.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 8.388 -25.137 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.716 -23.860 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.206 -24.529 11.302 1.00 0.00 H new ATOM 1095 N ALA B 21 10.520 -18.999 13.368 1.00 0.00 N ATOM 1096 CA ALA B 21 9.352 -18.208 13.868 1.00 0.00 C ATOM 1097 C ALA B 21 9.297 -16.828 13.201 1.00 0.00 C ATOM 1098 O ALA B 21 8.258 -16.383 12.757 1.00 0.00 O ATOM 1099 CB ALA B 21 9.589 -18.065 15.371 1.00 0.00 C ATOM 0 H ALA B 21 11.069 -19.461 14.093 1.00 0.00 H new ATOM 0 HA ALA B 21 8.405 -18.697 13.642 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.773 -17.495 15.815 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.632 -19.054 15.828 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.531 -17.545 15.543 1.00 0.00 H new ATOM 1105 N LEU B 22 10.410 -16.154 13.123 1.00 0.00 N ATOM 1106 CA LEU B 22 10.424 -14.810 12.480 1.00 0.00 C ATOM 1107 C LEU B 22 10.478 -14.974 10.965 1.00 0.00 C ATOM 1108 O LEU B 22 9.814 -14.278 10.224 1.00 0.00 O ATOM 1109 CB LEU B 22 11.701 -14.136 12.985 1.00 0.00 C ATOM 1110 CG LEU B 22 11.485 -13.634 14.413 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.345 -14.828 15.355 1.00 0.00 C ATOM 1112 CD2 LEU B 22 12.687 -12.787 14.841 1.00 0.00 C ATOM 0 H LEU B 22 11.311 -16.475 13.477 1.00 0.00 H new ATOM 0 HA LEU B 22 9.537 -14.224 12.719 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.532 -14.841 12.958 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.968 -13.304 12.333 1.00 0.00 H new ATOM 0 HG LEU B 22 10.579 -13.029 14.454 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.191 -14.472 16.374 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.492 -15.434 15.050 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.252 -15.431 15.315 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.535 -12.428 15.859 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.592 -13.393 14.801 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.791 -11.936 14.168 1.00 0.00 H new ATOM 1124 N GLN B 23 11.272 -15.899 10.507 1.00 0.00 N ATOM 1125 CA GLN B 23 11.388 -16.129 9.036 1.00 0.00 C ATOM 1126 C GLN B 23 9.999 -16.292 8.409 1.00 0.00 C ATOM 1127 O GLN B 23 9.679 -15.670 7.416 1.00 0.00 O ATOM 1128 CB GLN B 23 12.190 -17.423 8.900 1.00 0.00 C ATOM 1129 CG GLN B 23 12.356 -17.768 7.419 1.00 0.00 C ATOM 1130 CD GLN B 23 12.772 -19.233 7.278 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.381 -19.792 8.168 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.465 -19.884 6.189 1.00 0.00 N ATOM 0 H GLN B 23 11.848 -16.509 11.087 1.00 0.00 H new ATOM 0 HA GLN B 23 11.868 -15.293 8.527 1.00 0.00 H new ATOM 0 HB2 GLN B 23 13.167 -17.309 9.369 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.680 -18.235 9.419 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.421 -17.592 6.887 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.107 -17.121 6.966 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.954 -19.415 5.441 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.736 -20.862 6.086 1.00 0.00 H new ATOM 1141 N GLN B 24 9.173 -17.124 8.983 1.00 0.00 N ATOM 1142 CA GLN B 24 7.807 -17.326 8.418 1.00 0.00 C ATOM 1143 C GLN B 24 6.920 -16.118 8.731 1.00 0.00 C ATOM 1144 O GLN B 24 6.023 -15.783 7.982 1.00 0.00 O ATOM 1145 CB GLN B 24 7.273 -18.578 9.114 1.00 0.00 C ATOM 1146 CG GLN B 24 6.031 -19.083 8.376 1.00 0.00 C ATOM 1147 CD GLN B 24 6.459 -19.859 7.130 1.00 0.00 C ATOM 1148 OE1 GLN B 24 6.925 -20.977 7.227 1.00 0.00 O ATOM 1149 NE2 GLN B 24 6.319 -19.310 5.954 1.00 0.00 N ATOM 0 H GLN B 24 9.384 -17.672 9.817 1.00 0.00 H new ATOM 0 HA GLN B 24 7.821 -17.436 7.334 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.039 -19.353 9.130 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.026 -18.353 10.151 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.441 -19.723 9.031 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.396 -18.243 8.094 1.00 0.00 H new ATOM 0 HE21 GLN B 24 5.928 -18.372 5.873 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.601 -19.820 5.117 1.00 0.00 H new ATOM 1158 N LYS B 25 7.161 -15.461 9.833 1.00 0.00 N ATOM 1159 CA LYS B 25 6.329 -14.276 10.191 1.00 0.00 C ATOM 1160 C LYS B 25 6.638 -13.107 9.252 1.00 0.00 C ATOM 1161 O LYS B 25 5.748 -12.444 8.758 1.00 0.00 O ATOM 1162 CB LYS B 25 6.730 -13.931 11.626 1.00 0.00 C ATOM 1163 CG LYS B 25 5.807 -14.660 12.603 1.00 0.00 C ATOM 1164 CD LYS B 25 6.472 -14.732 13.979 1.00 0.00 C ATOM 1165 CE LYS B 25 5.555 -14.092 15.024 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.538 -15.136 15.333 1.00 0.00 N ATOM 0 H LYS B 25 7.897 -15.693 10.500 1.00 0.00 H new ATOM 0 HA LYS B 25 5.262 -14.479 10.102 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.766 -14.219 11.804 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.667 -12.854 11.784 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.853 -14.138 12.676 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.594 -15.665 12.238 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.673 -15.770 14.243 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.432 -14.217 13.958 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.112 -13.807 15.916 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.087 -13.187 14.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.902 -14.791 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.985 -15.346 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.016 -16.001 15.657 1.00 0.00 H new ATOM 1180 N ILE B 26 7.893 -12.848 9.004 1.00 0.00 N ATOM 1181 CA ILE B 26 8.256 -11.720 8.097 1.00 0.00 C ATOM 1182 C ILE B 26 7.868 -12.052 6.654 1.00 0.00 C ATOM 1183 O ILE B 26 7.304 -11.239 5.949 1.00 0.00 O ATOM 1184 CB ILE B 26 9.773 -11.582 8.228 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.135 -11.290 9.685 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.259 -10.433 7.343 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.640 -11.474 9.885 1.00 0.00 C ATOM 0 H ILE B 26 8.682 -13.367 9.389 1.00 0.00 H new ATOM 0 HA ILE B 26 7.738 -10.797 8.358 1.00 0.00 H new ATOM 0 HB ILE B 26 10.250 -12.510 7.914 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.845 -10.272 9.946 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.585 -11.958 10.348 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.341 -10.334 7.436 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.002 -10.640 6.304 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.782 -9.505 7.657 1.00 0.00 H new ATOM 0 HD11 ILE B 26 11.897 -11.266 10.924 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.917 -12.500 9.641 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.180 -10.788 9.233 1.00 0.00 H new ATOM 1199 N HIS B 27 8.168 -13.241 6.207 1.00 0.00 N ATOM 1200 CA HIS B 27 7.818 -13.623 4.809 1.00 0.00 C ATOM 1201 C HIS B 27 6.298 -13.703 4.644 1.00 0.00 C ATOM 1202 O HIS B 27 5.775 -13.586 3.554 1.00 0.00 O ATOM 1203 CB HIS B 27 8.452 -14.999 4.604 1.00 0.00 C ATOM 1204 CG HIS B 27 9.819 -14.836 3.999 1.00 0.00 C ATOM 1205 ND1 HIS B 27 10.603 -15.921 3.641 1.00 0.00 N ATOM 1206 CD2 HIS B 27 10.557 -13.722 3.685 1.00 0.00 C ATOM 1207 CE1 HIS B 27 11.755 -15.442 3.135 1.00 0.00 C ATOM 1208 NE2 HIS B 27 11.778 -14.106 3.140 1.00 0.00 N ATOM 0 H HIS B 27 8.640 -13.964 6.749 1.00 0.00 H new ATOM 0 HA HIS B 27 8.177 -12.895 4.081 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.524 -15.523 5.557 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.824 -15.607 3.952 1.00 0.00 H new ATOM 0 HD2 HIS B 27 10.238 -12.702 3.838 1.00 0.00 H new ATOM 0 HE1 HIS B 27 12.561 -16.061 2.770 1.00 0.00 H new ATOM 0 HE2 HIS B 27 12.530 -13.498 2.814 1.00 0.00 H new ATOM 1216 N GLU B 28 5.584 -13.904 5.719 1.00 0.00 N ATOM 1217 CA GLU B 28 4.098 -13.994 5.620 1.00 0.00 C ATOM 1218 C GLU B 28 3.485 -12.593 5.537 1.00 0.00 C ATOM 1219 O GLU B 28 2.527 -12.365 4.825 1.00 0.00 O ATOM 1220 CB GLU B 28 3.658 -14.697 6.904 1.00 0.00 C ATOM 1221 CG GLU B 28 3.712 -16.212 6.703 1.00 0.00 C ATOM 1222 CD GLU B 28 2.427 -16.682 6.017 1.00 0.00 C ATOM 1223 OE1 GLU B 28 2.178 -16.246 4.905 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.713 -17.469 6.616 1.00 0.00 O ATOM 0 H GLU B 28 5.964 -14.010 6.660 1.00 0.00 H new ATOM 0 HA GLU B 28 3.776 -14.533 4.729 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.306 -14.406 7.730 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.646 -14.391 7.170 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.578 -16.479 6.098 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.828 -16.713 7.664 1.00 0.00 H new ATOM 1231 N LEU B 29 4.028 -11.651 6.259 1.00 0.00 N ATOM 1232 CA LEU B 29 3.473 -10.267 6.220 1.00 0.00 C ATOM 1233 C LEU B 29 3.915 -9.558 4.937 1.00 0.00 C ATOM 1234 O LEU B 29 3.172 -8.795 4.351 1.00 0.00 O ATOM 1235 CB LEU B 29 4.056 -9.571 7.449 1.00 0.00 C ATOM 1236 CG LEU B 29 3.009 -9.544 8.564 1.00 0.00 C ATOM 1237 CD1 LEU B 29 2.793 -10.962 9.096 1.00 0.00 C ATOM 1238 CD2 LEU B 29 3.501 -8.644 9.700 1.00 0.00 C ATOM 0 H LEU B 29 4.832 -11.779 6.874 1.00 0.00 H new ATOM 0 HA LEU B 29 2.383 -10.257 6.228 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.950 -10.095 7.787 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.359 -8.555 7.195 1.00 0.00 H new ATOM 0 HG LEU B 29 2.069 -9.156 8.171 1.00 0.00 H new ATOM 0 HD11 LEU B 29 2.047 -10.943 9.890 1.00 0.00 H new ATOM 0 HD12 LEU B 29 2.445 -11.605 8.287 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.732 -11.350 9.490 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.757 -8.623 10.496 1.00 0.00 H new ATOM 0 HD22 LEU B 29 4.441 -9.034 10.092 1.00 0.00 H new ATOM 0 HD23 LEU B 29 3.657 -7.634 9.322 1.00 0.00 H new ATOM 1250 N GLU B 30 5.119 -9.801 4.498 1.00 0.00 N ATOM 1251 CA GLU B 30 5.607 -9.140 3.253 1.00 0.00 C ATOM 1252 C GLU B 30 4.630 -9.395 2.102 1.00 0.00 C ATOM 1253 O GLU B 30 4.263 -8.492 1.377 1.00 0.00 O ATOM 1254 CB GLU B 30 6.960 -9.790 2.964 1.00 0.00 C ATOM 1255 CG GLU B 30 7.611 -9.102 1.762 1.00 0.00 C ATOM 1256 CD GLU B 30 7.693 -10.085 0.593 1.00 0.00 C ATOM 1257 OE1 GLU B 30 8.572 -10.931 0.616 1.00 0.00 O ATOM 1258 OE2 GLU B 30 6.875 -9.977 -0.305 1.00 0.00 O ATOM 0 H GLU B 30 5.787 -10.428 4.947 1.00 0.00 H new ATOM 0 HA GLU B 30 5.691 -8.059 3.364 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.608 -9.710 3.837 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.829 -10.853 2.761 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.031 -8.225 1.474 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.609 -8.751 2.027 1.00 0.00 H new ATOM 1265 N GLY B 31 4.208 -10.617 1.930 1.00 0.00 N ATOM 1266 CA GLY B 31 3.256 -10.927 0.826 1.00 0.00 C ATOM 1267 C GLY B 31 1.897 -10.293 1.132 1.00 0.00 C ATOM 1268 O GLY B 31 1.151 -9.942 0.239 1.00 0.00 O ATOM 0 H GLY B 31 4.481 -11.414 2.505 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.642 -10.546 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY B 31 3.149 -12.006 0.715 1.00 0.00 H new ATOM 1272 N LEU B 32 1.571 -10.146 2.386 1.00 0.00 N ATOM 1273 CA LEU B 32 0.259 -9.535 2.750 1.00 0.00 C ATOM 1274 C LEU B 32 0.173 -8.106 2.204 1.00 0.00 C ATOM 1275 O LEU B 32 -0.856 -7.675 1.726 1.00 0.00 O ATOM 1276 CB LEU B 32 0.238 -9.527 4.279 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.072 -10.140 4.773 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.019 -11.660 4.611 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.269 -9.793 6.251 1.00 0.00 C ATOM 0 H LEU B 32 2.155 -10.422 3.175 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.584 -10.086 2.334 1.00 0.00 H new ATOM 0 HB2 LEU B 32 1.086 -10.091 4.668 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.337 -8.507 4.650 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.902 -9.742 4.190 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.954 -12.096 4.964 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.876 -11.909 3.559 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.189 -12.059 5.194 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.203 -10.229 6.606 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.438 -10.192 6.832 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.307 -8.710 6.369 1.00 0.00 H new ATOM 1291 N MET B 33 1.249 -7.370 2.275 1.00 0.00 N ATOM 1292 CA MET B 33 1.234 -5.968 1.763 1.00 0.00 C ATOM 1293 C MET B 33 0.693 -5.928 0.330 1.00 0.00 C ATOM 1294 O MET B 33 -0.004 -5.010 -0.054 1.00 0.00 O ATOM 1295 CB MET B 33 2.696 -5.523 1.798 1.00 0.00 C ATOM 1296 CG MET B 33 3.022 -4.941 3.175 1.00 0.00 C ATOM 1297 SD MET B 33 4.780 -5.184 3.535 1.00 0.00 S ATOM 1298 CE MET B 33 5.434 -4.240 2.135 1.00 0.00 C ATOM 0 H MET B 33 2.139 -7.679 2.666 1.00 0.00 H new ATOM 0 HA MET B 33 0.593 -5.318 2.358 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.349 -6.369 1.586 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.878 -4.777 1.024 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.779 -3.879 3.199 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.413 -5.425 3.939 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.516 -4.360 2.089 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.989 -4.606 1.210 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.191 -3.185 2.262 1.00 0.00 H new ATOM 1308 N MET B 34 1.013 -6.912 -0.465 1.00 0.00 N ATOM 1309 CA MET B 34 0.524 -6.928 -1.875 1.00 0.00 C ATOM 1310 C MET B 34 -0.922 -7.428 -1.941 1.00 0.00 C ATOM 1311 O MET B 34 -1.683 -7.039 -2.804 1.00 0.00 O ATOM 1312 CB MET B 34 1.454 -7.900 -2.601 1.00 0.00 C ATOM 1313 CG MET B 34 1.009 -8.042 -4.057 1.00 0.00 C ATOM 1314 SD MET B 34 2.465 -8.221 -5.118 1.00 0.00 S ATOM 1315 CE MET B 34 3.190 -6.598 -4.784 1.00 0.00 C ATOM 0 H MET B 34 1.593 -7.708 -0.199 1.00 0.00 H new ATOM 0 HA MET B 34 0.533 -5.933 -2.321 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.481 -7.538 -2.557 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.437 -8.872 -2.108 1.00 0.00 H new ATOM 0 HG2 MET B 34 0.357 -8.909 -4.166 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.431 -7.168 -4.359 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.903 -6.349 -5.570 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.402 -5.846 -4.758 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.703 -6.620 -3.823 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.303 -8.292 -1.041 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.698 -8.828 -1.055 1.00 0.00 C ATOM 1327 C GLN B 35 -3.718 -7.690 -1.201 1.00 0.00 C ATOM 1328 O GLN B 35 -4.213 -7.426 -2.278 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.862 -9.539 0.290 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.299 -10.048 0.434 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.318 -11.571 0.297 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.750 -12.098 -0.709 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.862 -12.307 1.275 1.00 0.00 N ATOM 0 H GLN B 35 -0.709 -8.652 -0.294 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.869 -9.501 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.162 -10.372 0.359 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.625 -8.855 1.105 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.705 -9.754 1.402 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.934 -9.596 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.499 -11.865 2.120 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.869 -13.324 1.194 1.00 0.00 H new ATOM 1342 N HIS B 36 -4.042 -7.018 -0.129 1.00 0.00 N ATOM 1343 CA HIS B 36 -5.032 -5.906 -0.222 1.00 0.00 C ATOM 1344 C HIS B 36 -4.572 -4.869 -1.251 1.00 0.00 C ATOM 1345 O HIS B 36 -5.374 -4.257 -1.929 1.00 0.00 O ATOM 1346 CB HIS B 36 -5.075 -5.293 1.177 1.00 0.00 C ATOM 1347 CG HIS B 36 -6.298 -5.782 1.901 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -6.877 -7.012 1.630 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -7.066 -5.217 2.891 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -7.944 -7.146 2.440 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -8.104 -6.080 3.228 1.00 0.00 N ATOM 0 H HIS B 36 -3.666 -7.190 0.803 1.00 0.00 H new ATOM 0 HA HIS B 36 -6.013 -6.255 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -4.177 -5.565 1.733 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -5.090 -4.205 1.109 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.890 -4.250 3.339 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -8.592 -8.010 2.451 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -8.831 -5.930 3.927 1.00 0.00 H new ATOM 1359 N ALA B 37 -3.287 -4.667 -1.375 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.777 -3.671 -2.365 1.00 0.00 C ATOM 1361 C ALA B 37 -3.402 -3.928 -3.740 1.00 0.00 C ATOM 1362 O ALA B 37 -3.756 -3.010 -4.454 1.00 0.00 O ATOM 1363 CB ALA B 37 -1.266 -3.901 -2.414 1.00 0.00 C ATOM 0 H ALA B 37 -2.568 -5.148 -0.834 1.00 0.00 H new ATOM 0 HA ALA B 37 -3.025 -2.647 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.815 -3.205 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.841 -3.738 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -1.064 -4.924 -2.732 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.541 -5.171 -4.112 1.00 0.00 N ATOM 1370 CA GLN B 38 -4.144 -5.492 -5.438 1.00 0.00 C ATOM 1371 C GLN B 38 -5.558 -4.910 -5.527 1.00 0.00 C ATOM 1372 O GLN B 38 -5.960 -4.384 -6.547 1.00 0.00 O ATOM 1373 CB GLN B 38 -4.189 -7.020 -5.494 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.886 -7.547 -6.098 1.00 0.00 C ATOM 1375 CD GLN B 38 -3.099 -8.975 -6.603 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -4.204 -9.480 -6.583 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.080 -9.653 -7.057 1.00 0.00 N ATOM 0 H GLN B 38 -3.263 -5.979 -3.555 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.573 -5.071 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -4.329 -7.427 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -5.039 -7.348 -6.093 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.566 -6.904 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -2.093 -7.529 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.152 -9.229 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -2.212 -10.606 -7.395 1.00 0.00 H new ATOM 1386 N ASN B 39 -6.312 -4.995 -4.466 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.697 -4.441 -4.490 1.00 0.00 C ATOM 1388 C ASN B 39 -7.691 -2.981 -4.024 1.00 0.00 C ATOM 1389 O ASN B 39 -8.713 -2.430 -3.665 1.00 0.00 O ATOM 1390 CB ASN B 39 -8.488 -5.313 -3.514 1.00 0.00 C ATOM 1391 CG ASN B 39 -8.961 -6.580 -4.228 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -9.034 -6.617 -5.441 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -9.286 -7.629 -3.523 1.00 0.00 N ATOM 0 H ASN B 39 -6.030 -5.423 -3.584 1.00 0.00 H new ATOM 0 HA ASN B 39 -8.130 -4.453 -5.490 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.866 -5.576 -2.659 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.344 -4.760 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.601 -8.479 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.225 -7.598 -2.505 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.547 -2.350 -4.025 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.473 -0.929 -3.584 1.00 0.00 C ATOM 1402 C LEU B 40 -7.058 -0.774 -2.179 1.00 0.00 C ATOM 1403 O LEU B 40 -7.444 0.304 -1.770 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.301 -0.147 -4.605 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.411 0.250 -5.784 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.565 -0.776 -6.908 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -6.827 1.631 -6.294 1.00 0.00 C ATOM 0 H LEU B 40 -5.659 -2.760 -4.313 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.445 -0.569 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.136 -0.754 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.726 0.743 -4.140 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.371 0.280 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -5.931 -0.493 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.269 -1.760 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.605 -0.807 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.193 1.915 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.867 1.601 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.717 2.363 -5.494 1.00 0.00 H new ATOM 1419 N GLU B 41 -7.113 -1.839 -1.432 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.657 -1.755 -0.046 1.00 0.00 C ATOM 1421 C GLU B 41 -6.524 -1.910 0.959 1.00 0.00 C ATOM 1422 O GLU B 41 -6.738 -2.279 2.098 1.00 0.00 O ATOM 1423 CB GLU B 41 -8.630 -2.925 0.080 1.00 0.00 C ATOM 1424 CG GLU B 41 -9.927 -2.598 -0.661 1.00 0.00 C ATOM 1425 CD GLU B 41 -10.837 -1.764 0.242 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -10.688 -0.552 0.244 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -11.668 -2.349 0.916 1.00 0.00 O ATOM 0 H GLU B 41 -6.804 -2.767 -1.720 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.145 -0.799 0.147 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.182 -3.829 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -8.840 -3.124 1.131 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -9.706 -2.050 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -10.433 -3.518 -0.954 1.00 0.00 H new ATOM 1434 N PHE B 42 -5.314 -1.658 0.546 1.00 0.00 N ATOM 1435 CA PHE B 42 -4.174 -1.819 1.465 1.00 0.00 C ATOM 1436 C PHE B 42 -4.018 -0.655 2.450 1.00 0.00 C ATOM 1437 O PHE B 42 -2.948 -0.447 2.987 1.00 0.00 O ATOM 1438 CB PHE B 42 -2.939 -1.945 0.563 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.708 -0.698 -0.288 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -3.590 0.420 -0.251 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -1.575 -0.660 -1.133 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.331 1.551 -1.056 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -1.323 0.474 -1.936 1.00 0.00 C ATOM 1444 CZ PHE B 42 -2.199 1.577 -1.897 1.00 0.00 C ATOM 0 H PHE B 42 -5.073 -1.346 -0.395 1.00 0.00 H new ATOM 0 HA PHE B 42 -4.322 -2.694 2.098 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -2.059 -2.128 1.180 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.056 -2.810 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -4.457 0.403 0.393 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -0.899 -1.502 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -4.001 2.398 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -0.457 0.496 -2.581 1.00 0.00 H new ATOM 0 HZ PHE B 42 -2.003 2.443 -2.512 1.00 0.00 H new ATOM 1454 N GLU B 43 -5.062 0.088 2.732 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.924 1.193 3.725 1.00 0.00 C ATOM 1456 C GLU B 43 -4.324 0.604 5.002 1.00 0.00 C ATOM 1457 O GLU B 43 -3.269 1.002 5.457 1.00 0.00 O ATOM 1458 CB GLU B 43 -6.351 1.690 3.969 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.361 2.668 5.147 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.807 2.982 5.539 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.682 2.775 4.714 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.013 3.424 6.657 1.00 0.00 O ATOM 0 H GLU B 43 -5.990 -0.022 2.323 1.00 0.00 H new ATOM 0 HA GLU B 43 -4.281 2.007 3.391 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.734 2.180 3.074 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -7.010 0.847 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.829 2.237 5.995 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.839 3.586 4.876 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.978 -0.380 5.551 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.445 -1.048 6.764 1.00 0.00 C ATOM 1471 C GLU B 44 -3.388 -2.075 6.345 1.00 0.00 C ATOM 1472 O GLU B 44 -2.514 -2.430 7.111 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.651 -1.737 7.411 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.226 -2.783 6.452 1.00 0.00 C ATOM 1475 CD GLU B 44 -7.155 -3.724 7.222 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.860 -4.006 8.372 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -8.147 -4.145 6.649 1.00 0.00 O ATOM 0 H GLU B 44 -5.864 -0.751 5.208 1.00 0.00 H new ATOM 0 HA GLU B 44 -3.972 -0.353 7.458 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.352 -2.212 8.345 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.414 -0.999 7.659 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -6.773 -2.292 5.647 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.419 -3.350 5.989 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.465 -2.563 5.128 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.464 -3.572 4.664 1.00 0.00 C ATOM 1486 C ALA B 45 -1.082 -2.932 4.501 1.00 0.00 C ATOM 1487 O ALA B 45 -0.096 -3.434 5.004 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.980 -4.062 3.308 1.00 0.00 C ATOM 0 H ALA B 45 -4.174 -2.307 4.441 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.354 -4.385 5.381 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -2.294 -4.807 2.905 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.967 -4.508 3.434 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -3.047 -3.220 2.619 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.997 -1.836 3.798 1.00 0.00 N ATOM 1495 CA ALA B 46 0.331 -1.184 3.602 1.00 0.00 C ATOM 1496 C ALA B 46 0.979 -0.881 4.953 1.00 0.00 C ATOM 1497 O ALA B 46 2.187 -0.832 5.071 1.00 0.00 O ATOM 1498 CB ALA B 46 0.041 0.107 2.834 1.00 0.00 C ATOM 0 H ALA B 46 -1.784 -1.365 3.353 1.00 0.00 H new ATOM 0 HA ALA B 46 1.025 -1.825 3.059 1.00 0.00 H new ATOM 0 HB1 ALA B 46 0.974 0.641 2.654 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -0.429 -0.135 1.881 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.629 0.736 3.420 1.00 0.00 H new ATOM 1504 N GLN B 47 0.195 -0.690 5.978 1.00 0.00 N ATOM 1505 CA GLN B 47 0.790 -0.407 7.314 1.00 0.00 C ATOM 1506 C GLN B 47 1.741 -1.541 7.698 1.00 0.00 C ATOM 1507 O GLN B 47 2.721 -1.339 8.387 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.391 -0.345 8.281 1.00 0.00 C ATOM 1509 CG GLN B 47 -1.200 0.928 8.021 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.725 1.479 9.347 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -2.875 1.284 9.687 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -0.925 2.164 10.118 1.00 0.00 N ATOM 0 H GLN B 47 -0.824 -0.717 5.949 1.00 0.00 H new ATOM 0 HA GLN B 47 1.363 0.520 7.327 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -1.024 -1.223 8.154 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.032 -0.356 9.310 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.577 1.673 7.527 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -2.031 0.712 7.350 1.00 0.00 H new ATOM 0 HE21 GLN B 47 0.041 2.328 9.833 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -1.265 2.535 11.005 1.00 0.00 H new ATOM 1521 N ILE B 48 1.464 -2.736 7.243 1.00 0.00 N ATOM 1522 CA ILE B 48 2.358 -3.884 7.568 1.00 0.00 C ATOM 1523 C ILE B 48 3.796 -3.536 7.182 1.00 0.00 C ATOM 1524 O ILE B 48 4.745 -4.028 7.760 1.00 0.00 O ATOM 1525 CB ILE B 48 1.835 -5.045 6.720 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.431 -5.428 7.194 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.767 -6.250 6.866 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.181 -6.435 6.217 1.00 0.00 C ATOM 0 H ILE B 48 0.658 -2.965 6.661 1.00 0.00 H new ATOM 0 HA ILE B 48 2.359 -4.131 8.630 1.00 0.00 H new ATOM 0 HB ILE B 48 1.798 -4.741 5.674 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.478 -5.858 8.194 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.197 -4.540 7.258 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.392 -7.075 6.261 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.768 -5.979 6.530 1.00 0.00 H new ATOM 0 HG23 ILE B 48 2.806 -6.555 7.912 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.181 -6.708 6.554 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.242 -5.988 5.225 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.444 -7.327 6.175 1.00 0.00 H new ATOM 1540 N ARG B 49 3.958 -2.674 6.215 1.00 0.00 N ATOM 1541 CA ARG B 49 5.328 -2.271 5.792 1.00 0.00 C ATOM 1542 C ARG B 49 6.114 -1.783 7.015 1.00 0.00 C ATOM 1543 O ARG B 49 7.326 -1.866 7.064 1.00 0.00 O ATOM 1544 CB ARG B 49 5.097 -1.138 4.782 1.00 0.00 C ATOM 1545 CG ARG B 49 6.402 -0.378 4.517 1.00 0.00 C ATOM 1546 CD ARG B 49 6.235 1.082 4.946 1.00 0.00 C ATOM 1547 NE ARG B 49 5.852 1.025 6.384 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.645 1.528 7.290 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.919 1.250 7.267 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.164 2.311 8.217 1.00 0.00 N ATOM 0 H ARG B 49 3.198 -2.231 5.699 1.00 0.00 H new ATOM 0 HA ARG B 49 5.906 -3.085 5.353 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.713 -1.548 3.848 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.341 -0.452 5.164 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.222 -0.839 5.067 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.658 -0.431 3.459 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.160 1.642 4.807 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.468 1.581 4.354 1.00 0.00 H new ATOM 0 HE ARG B 49 4.970 0.593 6.661 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.295 0.640 6.541 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.540 1.643 7.975 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.168 2.530 8.233 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.784 2.704 8.925 1.00 0.00 H new ATOM 1564 N ASP B 50 5.427 -1.285 8.006 1.00 0.00 N ATOM 1565 CA ASP B 50 6.127 -0.802 9.230 1.00 0.00 C ATOM 1566 C ASP B 50 6.560 -1.994 10.085 1.00 0.00 C ATOM 1567 O ASP B 50 7.589 -1.967 10.731 1.00 0.00 O ATOM 1568 CB ASP B 50 5.092 0.046 9.971 1.00 0.00 C ATOM 1569 CG ASP B 50 5.774 0.803 11.113 1.00 0.00 C ATOM 1570 OD1 ASP B 50 6.359 0.152 11.963 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.701 2.021 11.117 1.00 0.00 O ATOM 0 H ASP B 50 4.411 -1.192 8.021 1.00 0.00 H new ATOM 0 HA ASP B 50 7.026 -0.230 8.999 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.623 0.750 9.283 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.300 -0.591 10.365 1.00 0.00 H new ATOM 1576 N GLN B 51 5.783 -3.043 10.091 1.00 0.00 N ATOM 1577 CA GLN B 51 6.152 -4.240 10.899 1.00 0.00 C ATOM 1578 C GLN B 51 7.215 -5.058 10.163 1.00 0.00 C ATOM 1579 O GLN B 51 8.048 -5.703 10.767 1.00 0.00 O ATOM 1580 CB GLN B 51 4.857 -5.041 11.036 1.00 0.00 C ATOM 1581 CG GLN B 51 3.765 -4.153 11.637 1.00 0.00 C ATOM 1582 CD GLN B 51 2.410 -4.850 11.507 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.399 -4.206 11.312 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.346 -6.150 11.608 1.00 0.00 N ATOM 0 H GLN B 51 4.909 -3.123 9.571 1.00 0.00 H new ATOM 0 HA GLN B 51 6.568 -3.974 11.871 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.542 -5.412 10.061 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.022 -5.912 11.670 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.982 -3.951 12.686 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.741 -3.191 11.125 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.195 -6.691 11.772 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.447 -6.624 11.523 1.00 0.00 H new ATOM 1593 N LEU B 52 7.190 -5.034 8.858 1.00 0.00 N ATOM 1594 CA LEU B 52 8.198 -5.807 8.075 1.00 0.00 C ATOM 1595 C LEU B 52 9.604 -5.261 8.342 1.00 0.00 C ATOM 1596 O LEU B 52 10.553 -6.005 8.486 1.00 0.00 O ATOM 1597 CB LEU B 52 7.808 -5.592 6.611 1.00 0.00 C ATOM 1598 CG LEU B 52 7.685 -6.945 5.907 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.035 -7.665 5.942 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.635 -7.799 6.621 1.00 0.00 C ATOM 0 H LEU B 52 6.515 -4.512 8.299 1.00 0.00 H new ATOM 0 HA LEU B 52 8.211 -6.863 8.343 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.863 -5.053 6.552 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.557 -4.978 6.111 1.00 0.00 H new ATOM 0 HG LEU B 52 7.384 -6.788 4.871 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.947 -8.629 5.440 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.784 -7.058 5.433 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.337 -7.821 6.978 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.547 -8.763 6.119 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.936 -7.955 7.657 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.672 -7.288 6.596 1.00 0.00 H new ATOM 1612 N HIS B 53 9.743 -3.965 8.406 1.00 0.00 N ATOM 1613 CA HIS B 53 11.086 -3.369 8.662 1.00 0.00 C ATOM 1614 C HIS B 53 11.419 -3.424 10.155 1.00 0.00 C ATOM 1615 O HIS B 53 12.569 -3.444 10.544 1.00 0.00 O ATOM 1616 CB HIS B 53 10.970 -1.918 8.191 1.00 0.00 C ATOM 1617 CG HIS B 53 12.339 -1.375 7.893 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.969 -0.461 8.721 1.00 0.00 N ATOM 1619 CD2 HIS B 53 13.212 -1.607 6.858 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.167 -0.178 8.177 1.00 0.00 C ATOM 1621 NE2 HIS B 53 14.365 -0.851 7.041 1.00 0.00 N ATOM 0 H HIS B 53 8.985 -3.292 8.292 1.00 0.00 H new ATOM 0 HA HIS B 53 11.880 -3.906 8.143 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.344 -1.863 7.300 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.487 -1.313 8.958 1.00 0.00 H new ATOM 0 HD2 HIS B 53 13.031 -2.275 6.029 1.00 0.00 H new ATOM 0 HE1 HIS B 53 14.881 0.509 8.607 1.00 0.00 H new ATOM 0 HE2 HIS B 53 15.186 -0.818 6.437 1.00 0.00 H new ATOM 1629 N GLN B 54 10.423 -3.443 10.996 1.00 0.00 N ATOM 1630 CA GLN B 54 10.685 -3.494 12.464 1.00 0.00 C ATOM 1631 C GLN B 54 10.995 -4.927 12.904 1.00 0.00 C ATOM 1632 O GLN B 54 11.786 -5.156 13.799 1.00 0.00 O ATOM 1633 CB GLN B 54 9.391 -3.005 13.112 1.00 0.00 C ATOM 1634 CG GLN B 54 9.435 -1.483 13.259 1.00 0.00 C ATOM 1635 CD GLN B 54 10.151 -1.116 14.559 1.00 0.00 C ATOM 1636 OE1 GLN B 54 11.286 -0.683 14.541 1.00 0.00 O ATOM 1637 NE2 GLN B 54 9.531 -1.271 15.698 1.00 0.00 N ATOM 0 H GLN B 54 9.438 -3.425 10.732 1.00 0.00 H new ATOM 0 HA GLN B 54 11.543 -2.885 12.749 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.535 -3.297 12.504 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.263 -3.471 14.089 1.00 0.00 H new ATOM 0 HG2 GLN B 54 9.953 -1.040 12.409 1.00 0.00 H new ATOM 0 HG3 GLN B 54 8.423 -1.078 13.262 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.578 -1.634 15.715 1.00 0.00 H new ATOM 0 HE22 GLN B 54 10.000 -1.029 16.571 1.00 0.00 H new ATOM 1646 N LEU B 55 10.367 -5.893 12.293 1.00 0.00 N ATOM 1647 CA LEU B 55 10.610 -7.313 12.685 1.00 0.00 C ATOM 1648 C LEU B 55 12.049 -7.734 12.369 1.00 0.00 C ATOM 1649 O LEU B 55 12.592 -8.622 12.995 1.00 0.00 O ATOM 1650 CB LEU B 55 9.620 -8.127 11.850 1.00 0.00 C ATOM 1651 CG LEU B 55 8.458 -8.579 12.736 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.225 -7.724 12.437 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.139 -10.048 12.448 1.00 0.00 C ATOM 0 H LEU B 55 9.694 -5.762 11.537 1.00 0.00 H new ATOM 0 HA LEU B 55 10.474 -7.465 13.756 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.247 -7.526 11.021 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.119 -8.993 11.416 1.00 0.00 H new ATOM 0 HG LEU B 55 8.735 -8.464 13.784 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.397 -8.046 13.068 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.450 -6.677 12.640 1.00 0.00 H new ATOM 0 HD13 LEU B 55 6.948 -7.839 11.389 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.311 -10.371 13.079 1.00 0.00 H new ATOM 0 HD22 LEU B 55 7.862 -10.161 11.400 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.016 -10.659 12.660 1.00 0.00 H new ATOM 1665 N ARG B 56 12.669 -7.115 11.405 1.00 0.00 N ATOM 1666 CA ARG B 56 14.068 -7.501 11.061 1.00 0.00 C ATOM 1667 C ARG B 56 14.995 -7.276 12.263 1.00 0.00 C ATOM 1668 O ARG B 56 16.031 -7.898 12.384 1.00 0.00 O ATOM 1669 CB ARG B 56 14.455 -6.596 9.885 1.00 0.00 C ATOM 1670 CG ARG B 56 14.606 -5.147 10.358 1.00 0.00 C ATOM 1671 CD ARG B 56 16.082 -4.853 10.637 1.00 0.00 C ATOM 1672 NE ARG B 56 16.711 -4.741 9.293 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.949 -4.342 9.182 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.334 -3.241 9.768 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.801 -5.044 8.488 1.00 0.00 N ATOM 0 H ARG B 56 12.272 -6.363 10.842 1.00 0.00 H new ATOM 0 HA ARG B 56 14.154 -8.556 10.799 1.00 0.00 H new ATOM 0 HB2 ARG B 56 15.390 -6.941 9.444 1.00 0.00 H new ATOM 0 HB3 ARG B 56 13.694 -6.654 9.106 1.00 0.00 H new ATOM 0 HG2 ARG B 56 14.225 -4.464 9.599 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.015 -4.984 11.259 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.200 -3.931 11.207 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.540 -5.650 11.222 1.00 0.00 H new ATOM 0 HE ARG B 56 16.174 -4.976 8.458 1.00 0.00 H new ATOM 0 HH11 ARG B 56 17.668 -2.693 10.312 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.301 -2.929 9.682 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.500 -5.905 8.032 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.768 -4.732 8.401 1.00 0.00 H new ATOM 1689 N GLU B 57 14.628 -6.392 13.150 1.00 0.00 N ATOM 1690 CA GLU B 57 15.486 -6.130 14.342 1.00 0.00 C ATOM 1691 C GLU B 57 15.361 -7.280 15.342 1.00 0.00 C ATOM 1692 O GLU B 57 16.324 -7.687 15.962 1.00 0.00 O ATOM 1693 CB GLU B 57 14.945 -4.833 14.947 1.00 0.00 C ATOM 1694 CG GLU B 57 14.922 -3.738 13.879 1.00 0.00 C ATOM 1695 CD GLU B 57 14.573 -2.397 14.528 1.00 0.00 C ATOM 1696 OE1 GLU B 57 13.532 -2.321 15.160 1.00 0.00 O ATOM 1697 OE2 GLU B 57 15.352 -1.470 14.382 1.00 0.00 O ATOM 0 H GLU B 57 13.772 -5.840 13.102 1.00 0.00 H new ATOM 0 HA GLU B 57 16.541 -6.046 14.081 1.00 0.00 H new ATOM 0 HB2 GLU B 57 13.941 -4.994 15.339 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.568 -4.524 15.786 1.00 0.00 H new ATOM 0 HG2 GLU B 57 15.893 -3.674 13.388 1.00 0.00 H new ATOM 0 HG3 GLU B 57 14.191 -3.982 13.109 1.00 0.00 H new ATOM 1704 N LEU B 58 14.179 -7.809 15.503 1.00 0.00 N ATOM 1705 CA LEU B 58 13.988 -8.936 16.462 1.00 0.00 C ATOM 1706 C LEU B 58 14.914 -10.103 16.105 1.00 0.00 C ATOM 1707 O LEU B 58 15.190 -10.960 16.921 1.00 0.00 O ATOM 1708 CB LEU B 58 12.524 -9.345 16.305 1.00 0.00 C ATOM 1709 CG LEU B 58 11.655 -8.505 17.241 1.00 0.00 C ATOM 1710 CD1 LEU B 58 10.776 -7.564 16.415 1.00 0.00 C ATOM 1711 CD2 LEU B 58 10.767 -9.428 18.078 1.00 0.00 C ATOM 0 H LEU B 58 13.336 -7.510 15.012 1.00 0.00 H new ATOM 0 HA LEU B 58 14.224 -8.649 17.487 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.205 -9.204 15.272 1.00 0.00 H new ATOM 0 HB3 LEU B 58 12.405 -10.404 16.534 1.00 0.00 H new ATOM 0 HG LEU B 58 12.294 -7.919 17.901 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.156 -6.965 17.083 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.408 -6.906 15.819 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.137 -8.150 15.754 1.00 0.00 H new ATOM 0 HD21 LEU B 58 10.147 -8.829 18.746 1.00 0.00 H new ATOM 0 HD22 LEU B 58 10.128 -10.015 17.418 1.00 0.00 H new ATOM 0 HD23 LEU B 58 11.392 -10.098 18.667 1.00 0.00 H new ATOM 1723 N PHE B 59 15.395 -10.144 14.890 1.00 0.00 N ATOM 1724 CA PHE B 59 16.304 -11.256 14.477 1.00 0.00 C ATOM 1725 C PHE B 59 17.411 -11.463 15.517 1.00 0.00 C ATOM 1726 O PHE B 59 17.751 -12.577 15.863 1.00 0.00 O ATOM 1727 CB PHE B 59 16.898 -10.800 13.141 1.00 0.00 C ATOM 1728 CG PHE B 59 17.928 -11.801 12.674 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.539 -13.120 12.354 1.00 0.00 C ATOM 1730 CD2 PHE B 59 19.283 -11.416 12.555 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.504 -14.056 11.917 1.00 0.00 C ATOM 1732 CE2 PHE B 59 20.248 -12.350 12.117 1.00 0.00 C ATOM 1733 CZ PHE B 59 19.858 -13.670 11.798 1.00 0.00 C ATOM 0 H PHE B 59 15.198 -9.455 14.164 1.00 0.00 H new ATOM 0 HA PHE B 59 15.778 -12.207 14.391 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.109 -10.701 12.396 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.356 -9.817 13.252 1.00 0.00 H new ATOM 0 HD1 PHE B 59 16.504 -13.414 12.443 1.00 0.00 H new ATOM 0 HD2 PHE B 59 19.581 -10.407 12.799 1.00 0.00 H new ATOM 0 HE1 PHE B 59 18.207 -15.065 11.674 1.00 0.00 H new ATOM 0 HE2 PHE B 59 21.283 -12.055 12.026 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.595 -14.384 11.463 1.00 0.00 H new ATOM 1743 N ILE B 60 17.975 -10.398 16.019 1.00 0.00 N ATOM 1744 CA ILE B 60 19.058 -10.538 17.035 1.00 0.00 C ATOM 1745 C ILE B 60 18.463 -10.929 18.390 1.00 0.00 C ATOM 1746 O ILE B 60 19.065 -11.655 19.157 1.00 0.00 O ATOM 1747 CB ILE B 60 19.708 -9.157 17.113 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.335 -8.812 15.759 1.00 0.00 C ATOM 1749 CG2 ILE B 60 20.796 -9.165 18.189 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.481 -7.294 15.636 1.00 0.00 C ATOM 0 H ILE B 60 17.734 -9.439 15.770 1.00 0.00 H new ATOM 0 HA ILE B 60 19.777 -11.312 16.769 1.00 0.00 H new ATOM 0 HB ILE B 60 18.952 -8.413 17.365 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.310 -9.291 15.665 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.713 -9.195 14.950 1.00 0.00 H new ATOM 0 HG21 ILE B 60 21.260 -8.180 18.245 1.00 0.00 H new ATOM 0 HG22 ILE B 60 20.352 -9.412 19.153 1.00 0.00 H new ATOM 0 HG23 ILE B 60 21.552 -9.908 17.936 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.927 -7.048 14.672 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.499 -6.827 15.711 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.121 -6.924 16.437 1.00 0.00 H new ATOM 1762 N ALA B 61 17.285 -10.456 18.690 1.00 0.00 N ATOM 1763 CA ALA B 61 16.653 -10.804 19.996 1.00 0.00 C ATOM 1764 C ALA B 61 16.104 -12.233 19.957 1.00 0.00 C ATOM 1765 O ALA B 61 15.861 -12.841 20.981 1.00 0.00 O ATOM 1766 CB ALA B 61 15.514 -9.797 20.164 1.00 0.00 C ATOM 0 H ALA B 61 16.733 -9.844 18.089 1.00 0.00 H new ATOM 0 HA ALA B 61 17.363 -10.761 20.822 1.00 0.00 H new ATOM 0 HB1 ALA B 61 14.997 -9.986 21.105 1.00 0.00 H new ATOM 0 HB2 ALA B 61 15.920 -8.786 20.170 1.00 0.00 H new ATOM 0 HB3 ALA B 61 14.812 -9.901 19.337 1.00 0.00 H new ATOM 1772 N ALA B 62 15.905 -12.774 18.785 1.00 0.00 N ATOM 1773 CA ALA B 62 15.371 -14.164 18.688 1.00 0.00 C ATOM 1774 C ALA B 62 16.496 -15.140 18.332 1.00 0.00 C ATOM 1775 O ALA B 62 16.739 -16.102 19.032 1.00 0.00 O ATOM 1776 CB ALA B 62 14.333 -14.111 17.567 1.00 0.00 C ATOM 0 H ALA B 62 16.088 -12.315 17.893 1.00 0.00 H new ATOM 0 HA ALA B 62 14.939 -14.507 19.628 1.00 0.00 H new ATOM 0 HB1 ALA B 62 13.892 -15.099 17.433 1.00 0.00 H new ATOM 0 HB2 ALA B 62 13.552 -13.397 17.828 1.00 0.00 H new ATOM 0 HB3 ALA B 62 14.814 -13.799 16.640 1.00 0.00 H new ATOM 1782 N SER B 63 17.182 -14.899 17.249 1.00 0.00 N ATOM 1783 CA SER B 63 18.290 -15.814 16.849 1.00 0.00 C ATOM 1784 C SER B 63 19.479 -15.650 17.799 1.00 0.00 C ATOM 1785 O SER B 63 20.601 -15.797 17.343 1.00 0.00 O ATOM 1786 CB SER B 63 18.671 -15.380 15.434 1.00 0.00 C ATOM 1787 OG SER B 63 19.595 -16.314 14.891 1.00 0.00 O ATOM 1788 OXT SER B 63 19.247 -15.383 18.967 1.00 0.00 O ATOM 0 H SER B 63 17.024 -14.109 16.624 1.00 0.00 H new ATOM 0 HA SER B 63 17.994 -16.862 16.888 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.782 -15.323 14.806 1.00 0.00 H new ATOM 0 HB3 SER B 63 19.112 -14.383 15.453 1.00 0.00 H new ATOM 0 HG SER B 63 20.321 -16.466 15.531 1.00 0.00 H new