USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 180:sc= -0.0335 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot -47:sc= -0.21 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.582 X(o=-0.79,f=-0.39) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.71) USER MOD Single : A 20 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 88:sc= 0.103 USER MOD Single : A 25 SER OG : rot 180:sc= -0.209 USER MOD Single : A 27 MET CE :methyl -131:sc= -1.56 (180deg=-3.05!) USER MOD Single : A 28 THR OG1 : rot 87:sc= 0.252 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 40 ASN : amide:sc= -0.662 K(o=-0.66,f=-3.4!) USER MOD Single : A 52 ASN : amide:sc= -1.03! C(o=-1!,f=-14!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -24:sc= 0.866 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.6 K(o=-3.6,f=-4.5) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.017) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= -0.269 (180deg=-0.956) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0706) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 2.067 12.689 5.801 1.00 1.00 N ATOM 130 CA MET A 9 1.807 11.336 5.326 1.00 1.00 C ATOM 131 C MET A 9 2.163 11.208 3.849 1.00 1.00 C ATOM 132 O MET A 9 2.014 12.160 3.081 1.00 1.00 O ATOM 133 CB MET A 9 0.333 10.984 5.528 1.00 1.00 C ATOM 134 CG MET A 9 0.193 10.032 6.717 1.00 1.00 C ATOM 135 SD MET A 9 -1.558 9.830 7.127 1.00 1.00 S ATOM 136 CE MET A 9 -1.329 9.258 8.827 1.00 1.00 C ATOM 0 HA MET A 9 2.427 10.647 5.899 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.247 11.890 5.704 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.067 10.519 4.627 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.635 9.065 6.476 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.736 10.425 7.577 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.302 9.069 9.281 1.00 1.00 H new ATOM 0 HE2 MET A 9 -0.744 8.338 8.826 1.00 1.00 H new ATOM 0 HE3 MET A 9 -0.803 10.022 9.400 1.00 1.00 H new ATOM 146 N ASP A 10 2.635 10.029 3.458 1.00 1.00 N ATOM 147 CA ASP A 10 3.009 9.788 2.069 1.00 1.00 C ATOM 148 C ASP A 10 3.425 8.334 1.870 1.00 1.00 C ATOM 149 O ASP A 10 4.253 8.027 1.011 1.00 1.00 O ATOM 150 CB ASP A 10 4.165 10.708 1.671 1.00 1.00 C ATOM 151 CG ASP A 10 5.287 10.609 2.700 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.114 11.129 3.789 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.304 10.013 2.381 1.00 1.00 O ATOM 0 H ASP A 10 2.767 9.230 4.078 1.00 1.00 H new ATOM 0 HA ASP A 10 2.144 9.997 1.439 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.539 10.431 0.685 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.814 11.738 1.601 1.00 1.00 H new ATOM 158 N THR A 11 2.847 7.443 2.668 1.00 1.00 N ATOM 159 CA THR A 11 3.165 6.023 2.570 1.00 1.00 C ATOM 160 C THR A 11 1.985 5.178 3.038 1.00 1.00 C ATOM 161 O THR A 11 1.094 5.678 3.727 1.00 1.00 O ATOM 162 CB THR A 11 4.399 5.708 3.424 1.00 1.00 C ATOM 163 OG1 THR A 11 5.068 4.575 2.892 1.00 1.00 O ATOM 164 CG2 THR A 11 3.972 5.420 4.864 1.00 1.00 C ATOM 0 H THR A 11 2.160 7.676 3.385 1.00 1.00 H new ATOM 0 HA THR A 11 3.374 5.783 1.528 1.00 1.00 H new ATOM 0 HB THR A 11 5.072 6.566 3.413 1.00 1.00 H new ATOM 0 HG1 THR A 11 4.416 3.867 2.707 1.00 1.00 H new ATOM 0 HG21 THR A 11 4.852 5.197 5.467 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.463 6.292 5.274 1.00 1.00 H new ATOM 0 HG23 THR A 11 3.296 4.565 4.879 1.00 1.00 H new ATOM 172 N ILE A 12 1.984 3.900 2.662 1.00 1.00 N ATOM 173 CA ILE A 12 0.904 2.995 3.051 1.00 1.00 C ATOM 174 C ILE A 12 1.459 1.804 3.822 1.00 1.00 C ATOM 175 O ILE A 12 2.672 1.599 3.882 1.00 1.00 O ATOM 176 CB ILE A 12 0.160 2.499 1.810 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.758 3.148 0.558 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.321 2.875 1.921 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.031 2.631 -0.686 1.00 1.00 C ATOM 0 H ILE A 12 2.713 3.470 2.093 1.00 1.00 H new ATOM 0 HA ILE A 12 0.212 3.541 3.692 1.00 1.00 H new ATOM 0 HB ILE A 12 0.258 1.416 1.738 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.668 4.232 0.620 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.822 2.920 0.491 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.853 2.522 1.037 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.748 2.412 2.811 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.417 3.958 1.994 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.458 3.094 -1.576 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.144 1.549 -0.750 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.028 2.882 -0.619 1.00 1.00 H new ATOM 191 N ILE A 13 0.564 1.018 4.409 1.00 1.00 N ATOM 192 CA ILE A 13 0.975 -0.156 5.170 1.00 1.00 C ATOM 193 C ILE A 13 -0.069 -1.263 5.055 1.00 1.00 C ATOM 194 O ILE A 13 -1.271 -1.007 5.113 1.00 1.00 O ATOM 195 CB ILE A 13 1.186 0.214 6.644 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.164 -0.779 7.278 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.149 0.161 7.394 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.067 -0.694 8.804 1.00 1.00 C ATOM 0 H ILE A 13 -0.444 1.170 4.373 1.00 1.00 H new ATOM 0 HA ILE A 13 1.916 -0.520 4.757 1.00 1.00 H new ATOM 0 HB ILE A 13 1.591 1.224 6.706 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.936 -1.792 6.945 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.182 -0.559 6.956 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.010 0.425 8.439 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.847 0.866 6.944 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.561 -0.846 7.333 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.764 -1.402 9.253 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.316 0.316 9.129 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.052 -0.936 9.118 1.00 1.00 H new ATOM 210 N LEU A 14 0.402 -2.493 4.887 1.00 1.00 N ATOM 211 CA LEU A 14 -0.498 -3.633 4.760 1.00 1.00 C ATOM 212 C LEU A 14 -0.746 -4.266 6.127 1.00 1.00 C ATOM 213 O LEU A 14 0.159 -4.338 6.960 1.00 1.00 O ATOM 214 CB LEU A 14 0.104 -4.668 3.804 1.00 1.00 C ATOM 215 CG LEU A 14 0.979 -3.967 2.764 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.470 -4.991 1.739 1.00 1.00 C ATOM 217 CD2 LEU A 14 0.162 -2.887 2.052 1.00 1.00 C ATOM 0 H LEU A 14 1.394 -2.726 4.836 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.450 -3.287 4.357 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.697 -5.391 4.363 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.691 -5.224 3.308 1.00 1.00 H new ATOM 0 HG LEU A 14 1.834 -3.508 3.260 1.00 1.00 H new ATOM 0 HD11 LEU A 14 2.094 -4.493 0.997 1.00 1.00 H new ATOM 0 HD12 LEU A 14 2.052 -5.761 2.244 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.614 -5.450 1.244 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.786 -2.388 1.311 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -0.693 -3.346 1.556 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.190 -2.157 2.781 1.00 1.00 H new ATOM 229 N ARG A 15 -1.979 -4.716 6.350 1.00 1.00 N ATOM 230 CA ARG A 15 -2.349 -5.335 7.621 1.00 1.00 C ATOM 231 C ARG A 15 -3.015 -6.687 7.388 1.00 1.00 C ATOM 232 O ARG A 15 -3.672 -6.896 6.368 1.00 1.00 O ATOM 233 CB ARG A 15 -3.303 -4.402 8.379 1.00 1.00 C ATOM 234 CG ARG A 15 -4.169 -5.197 9.361 1.00 1.00 C ATOM 235 CD ARG A 15 -4.793 -4.236 10.379 1.00 1.00 C ATOM 236 NE ARG A 15 -3.968 -4.177 11.581 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.489 -3.847 12.759 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.758 -3.559 12.855 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.730 -3.809 13.819 1.00 1.00 N ATOM 0 H ARG A 15 -2.737 -4.664 5.669 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.448 -5.497 8.213 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.730 -3.648 8.919 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.940 -3.872 7.671 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.951 -5.733 8.823 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.564 -5.945 9.873 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.886 -3.241 9.943 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.799 -4.567 10.635 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.973 -4.393 11.516 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -6.351 -3.587 12.026 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -6.157 -3.306 13.759 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.738 -4.032 13.744 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -4.129 -3.556 14.723 1.00 1.00 H new ATOM 253 N ASN A 16 -2.837 -7.597 8.342 1.00 1.00 N ATOM 254 CA ASN A 16 -3.419 -8.932 8.248 1.00 1.00 C ATOM 255 C ASN A 16 -2.877 -9.674 7.033 1.00 1.00 C ATOM 256 O ASN A 16 -3.637 -10.123 6.175 1.00 1.00 O ATOM 257 CB ASN A 16 -4.944 -8.831 8.156 1.00 1.00 C ATOM 258 CG ASN A 16 -5.569 -10.213 8.298 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.274 -10.934 9.253 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.428 -10.626 7.406 1.00 1.00 N ATOM 0 H ASN A 16 -2.294 -7.434 9.190 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.146 -9.490 9.144 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.320 -8.171 8.937 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.230 -8.390 7.201 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.856 -11.547 7.499 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.671 -10.028 6.616 1.00 1.00 H new ATOM 267 N ILE A 17 -1.555 -9.796 6.967 1.00 1.00 N ATOM 268 CA ILE A 17 -0.913 -10.483 5.852 1.00 1.00 C ATOM 269 C ILE A 17 -0.545 -11.910 6.245 1.00 1.00 C ATOM 270 O ILE A 17 -0.225 -12.182 7.403 1.00 1.00 O ATOM 271 CB ILE A 17 0.354 -9.733 5.425 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.190 -8.223 5.664 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.627 -9.994 3.944 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.998 -7.678 4.863 1.00 1.00 C ATOM 0 H ILE A 17 -0.911 -9.430 7.668 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.616 -10.511 5.019 1.00 1.00 H new ATOM 0 HB ILE A 17 1.194 -10.091 6.020 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.038 -8.031 6.726 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.102 -7.702 5.373 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.528 -9.461 3.641 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.766 -11.063 3.783 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.218 -9.645 3.351 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -1.099 -6.608 5.044 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.830 -7.852 3.800 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.911 -8.186 5.174 1.00 1.00 H new ATOM 286 N ALA A 18 -0.597 -12.818 5.276 1.00 1.00 N ATOM 287 CA ALA A 18 -0.268 -14.215 5.536 1.00 1.00 C ATOM 288 C ALA A 18 1.236 -14.453 5.388 1.00 1.00 C ATOM 289 O ALA A 18 1.937 -13.661 4.758 1.00 1.00 O ATOM 290 CB ALA A 18 -1.028 -15.121 4.565 1.00 1.00 C ATOM 0 H ALA A 18 -0.861 -12.615 4.312 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.561 -14.451 6.559 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.776 -16.162 4.766 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.100 -14.975 4.695 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.749 -14.872 3.541 1.00 1.00 H new ATOM 296 N PRO A 19 1.741 -15.525 5.951 1.00 1.00 N ATOM 297 CA PRO A 19 3.194 -15.870 5.877 1.00 1.00 C ATOM 298 C PRO A 19 3.597 -16.395 4.498 1.00 1.00 C ATOM 299 O PRO A 19 4.758 -16.736 4.270 1.00 1.00 O ATOM 300 CB PRO A 19 3.354 -16.963 6.933 1.00 1.00 C ATOM 301 CG PRO A 19 2.016 -17.616 7.022 1.00 1.00 C ATOM 302 CD PRO A 19 0.986 -16.527 6.726 1.00 1.00 C ATOM 0 HA PRO A 19 3.828 -15.000 6.046 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.124 -17.679 6.646 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.652 -16.543 7.893 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.934 -18.434 6.306 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.857 -18.043 8.012 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.143 -16.919 6.158 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.581 -16.100 7.644 1.00 1.00 H new ATOM 310 N HIS A 20 2.630 -16.475 3.588 1.00 1.00 N ATOM 311 CA HIS A 20 2.895 -16.979 2.241 1.00 1.00 C ATOM 312 C HIS A 20 3.058 -15.833 1.244 1.00 1.00 C ATOM 313 O HIS A 20 2.998 -16.041 0.031 1.00 1.00 O ATOM 314 CB HIS A 20 1.739 -17.878 1.794 1.00 1.00 C ATOM 315 CG HIS A 20 2.036 -18.442 0.432 1.00 1.00 C ATOM 316 ND1 HIS A 20 1.447 -17.941 -0.719 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.857 -19.461 0.018 1.00 1.00 C ATOM 318 CE1 HIS A 20 1.916 -18.653 -1.759 1.00 1.00 C ATOM 319 NE2 HIS A 20 2.781 -19.593 -1.366 1.00 1.00 N ATOM 0 H HIS A 20 1.662 -16.200 3.755 1.00 1.00 H new ATOM 0 HA HIS A 20 3.824 -17.548 2.267 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.596 -18.687 2.510 1.00 1.00 H new ATOM 0 HB3 HIS A 20 0.811 -17.308 1.768 1.00 1.00 H new ATOM 0 HD2 HIS A 20 3.469 -20.069 0.668 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.629 -18.486 -2.787 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.278 -20.263 -1.953 1.00 1.00 H new ATOM 327 N THR A 21 3.264 -14.630 1.759 1.00 1.00 N ATOM 328 CA THR A 21 3.433 -13.464 0.904 1.00 1.00 C ATOM 329 C THR A 21 4.897 -13.295 0.511 1.00 1.00 C ATOM 330 O THR A 21 5.782 -13.304 1.366 1.00 1.00 O ATOM 331 CB THR A 21 2.944 -12.210 1.633 1.00 1.00 C ATOM 332 OG1 THR A 21 1.625 -12.433 2.112 1.00 1.00 O ATOM 333 CG2 THR A 21 2.947 -11.022 0.670 1.00 1.00 C ATOM 0 H THR A 21 3.318 -14.436 2.759 1.00 1.00 H new ATOM 0 HA THR A 21 2.844 -13.609 -0.002 1.00 1.00 H new ATOM 0 HB THR A 21 3.606 -11.993 2.471 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.665 -12.847 2.999 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.598 -10.130 1.191 1.00 1.00 H new ATOM 0 HG22 THR A 21 3.959 -10.855 0.302 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.285 -11.233 -0.170 1.00 1.00 H new ATOM 341 N VAL A 22 5.142 -13.139 -0.788 1.00 1.00 N ATOM 342 CA VAL A 22 6.502 -12.967 -1.287 1.00 1.00 C ATOM 343 C VAL A 22 6.587 -11.745 -2.196 1.00 1.00 C ATOM 344 O VAL A 22 5.666 -11.462 -2.962 1.00 1.00 O ATOM 345 CB VAL A 22 6.938 -14.213 -2.063 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.739 -15.134 -1.141 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.702 -14.954 -2.574 1.00 1.00 C ATOM 0 H VAL A 22 4.421 -13.128 -1.509 1.00 1.00 H new ATOM 0 HA VAL A 22 7.165 -12.821 -0.434 1.00 1.00 H new ATOM 0 HB VAL A 22 7.559 -13.915 -2.908 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.049 -16.021 -1.693 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.620 -14.607 -0.776 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.119 -15.432 -0.296 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.012 -15.841 -3.126 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.081 -15.251 -1.729 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.131 -14.299 -3.231 1.00 1.00 H new ATOM 357 N VAL A 23 7.699 -11.023 -2.103 1.00 1.00 N ATOM 358 CA VAL A 23 7.897 -9.831 -2.919 1.00 1.00 C ATOM 359 C VAL A 23 7.419 -10.072 -4.348 1.00 1.00 C ATOM 360 O VAL A 23 6.915 -9.162 -5.005 1.00 1.00 O ATOM 361 CB VAL A 23 9.377 -9.448 -2.933 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.517 -7.958 -3.253 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.991 -9.733 -1.559 1.00 1.00 C ATOM 0 H VAL A 23 8.472 -11.241 -1.475 1.00 1.00 H new ATOM 0 HA VAL A 23 7.315 -9.018 -2.486 1.00 1.00 H new ATOM 0 HB VAL A 23 9.895 -10.033 -3.693 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.572 -7.686 -3.263 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.080 -7.753 -4.230 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.998 -7.373 -2.494 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.046 -9.460 -1.568 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.472 -9.148 -0.800 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.893 -10.794 -1.330 1.00 1.00 H new ATOM 373 N ASP A 24 7.584 -11.302 -4.821 1.00 1.00 N ATOM 374 CA ASP A 24 7.168 -11.651 -6.175 1.00 1.00 C ATOM 375 C ASP A 24 5.653 -11.548 -6.317 1.00 1.00 C ATOM 376 O ASP A 24 5.143 -11.135 -7.357 1.00 1.00 O ATOM 377 CB ASP A 24 7.618 -13.075 -6.507 1.00 1.00 C ATOM 378 CG ASP A 24 8.213 -13.122 -7.910 1.00 1.00 C ATOM 379 OD1 ASP A 24 7.449 -13.055 -8.859 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.424 -13.230 -8.016 1.00 1.00 O ATOM 0 H ASP A 24 7.999 -12.069 -4.292 1.00 1.00 H new ATOM 0 HA ASP A 24 7.633 -10.950 -6.869 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.356 -13.411 -5.779 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.771 -13.758 -6.440 1.00 1.00 H new ATOM 385 N SER A 25 4.939 -11.931 -5.262 1.00 1.00 N ATOM 386 CA SER A 25 3.481 -11.880 -5.282 1.00 1.00 C ATOM 387 C SER A 25 2.989 -10.440 -5.171 1.00 1.00 C ATOM 388 O SER A 25 2.033 -10.048 -5.839 1.00 1.00 O ATOM 389 CB SER A 25 2.916 -12.704 -4.124 1.00 1.00 C ATOM 390 OG SER A 25 3.040 -14.088 -4.428 1.00 1.00 O ATOM 0 H SER A 25 5.342 -12.277 -4.391 1.00 1.00 H new ATOM 0 HA SER A 25 3.136 -12.295 -6.229 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.451 -12.473 -3.203 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.869 -12.449 -3.957 1.00 1.00 H new ATOM 0 HG SER A 25 2.680 -14.619 -3.687 1.00 1.00 H new ATOM 396 N ILE A 26 3.649 -9.658 -4.323 1.00 1.00 N ATOM 397 CA ILE A 26 3.266 -8.262 -4.132 1.00 1.00 C ATOM 398 C ILE A 26 3.515 -7.460 -5.407 1.00 1.00 C ATOM 399 O ILE A 26 2.630 -6.757 -5.893 1.00 1.00 O ATOM 400 CB ILE A 26 4.068 -7.654 -2.979 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.751 -8.408 -1.679 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.706 -6.173 -2.828 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.546 -7.774 -0.977 1.00 1.00 C ATOM 0 H ILE A 26 4.444 -9.962 -3.762 1.00 1.00 H new ATOM 0 HA ILE A 26 2.203 -8.224 -3.894 1.00 1.00 H new ATOM 0 HB ILE A 26 5.134 -7.741 -3.190 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.543 -9.455 -1.899 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.618 -8.388 -1.018 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.278 -5.741 -2.007 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.942 -5.645 -3.752 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.641 -6.078 -2.618 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.333 -8.319 -0.057 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.769 -6.734 -0.739 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.678 -7.818 -1.634 1.00 1.00 H new ATOM 415 N MET A 27 4.726 -7.572 -5.940 1.00 1.00 N ATOM 416 CA MET A 27 5.090 -6.854 -7.158 1.00 1.00 C ATOM 417 C MET A 27 4.041 -7.059 -8.248 1.00 1.00 C ATOM 418 O MET A 27 3.457 -6.098 -8.749 1.00 1.00 O ATOM 419 CB MET A 27 6.451 -7.349 -7.662 1.00 1.00 C ATOM 420 CG MET A 27 7.576 -6.727 -6.830 1.00 1.00 C ATOM 421 SD MET A 27 8.364 -5.401 -7.776 1.00 1.00 S ATOM 422 CE MET A 27 9.715 -5.076 -6.618 1.00 1.00 C ATOM 0 H MET A 27 5.471 -8.150 -5.551 1.00 1.00 H new ATOM 0 HA MET A 27 5.145 -5.791 -6.924 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.498 -8.436 -7.598 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.576 -7.086 -8.712 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.177 -6.333 -5.895 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.311 -7.487 -6.567 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.781 -4.005 -6.427 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.526 -5.601 -5.682 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.654 -5.426 -7.047 1.00 1.00 H new ATOM 432 N THR A 28 3.816 -8.314 -8.620 1.00 1.00 N ATOM 433 CA THR A 28 2.846 -8.637 -9.663 1.00 1.00 C ATOM 434 C THR A 28 1.430 -8.243 -9.245 1.00 1.00 C ATOM 435 O THR A 28 0.615 -7.855 -10.082 1.00 1.00 O ATOM 436 CB THR A 28 2.888 -10.138 -9.964 1.00 1.00 C ATOM 437 OG1 THR A 28 4.228 -10.525 -10.236 1.00 1.00 O ATOM 438 CG2 THR A 28 2.010 -10.442 -11.178 1.00 1.00 C ATOM 0 H THR A 28 4.290 -9.123 -8.217 1.00 1.00 H new ATOM 0 HA THR A 28 3.111 -8.071 -10.556 1.00 1.00 H new ATOM 0 HB THR A 28 2.516 -10.693 -9.103 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.683 -10.743 -9.396 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.041 -11.511 -11.391 1.00 1.00 H new ATOM 0 HG22 THR A 28 0.983 -10.143 -10.968 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.379 -9.889 -12.042 1.00 1.00 H new ATOM 446 N ALA A 29 1.139 -8.356 -7.954 1.00 1.00 N ATOM 447 CA ALA A 29 -0.190 -8.018 -7.449 1.00 1.00 C ATOM 448 C ALA A 29 -0.430 -6.511 -7.496 1.00 1.00 C ATOM 449 O ALA A 29 -1.558 -6.065 -7.694 1.00 1.00 O ATOM 450 CB ALA A 29 -0.344 -8.513 -6.012 1.00 1.00 C ATOM 0 H ALA A 29 1.797 -8.676 -7.243 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.927 -8.506 -8.087 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.337 -8.257 -5.643 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.214 -9.595 -5.984 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.410 -8.041 -5.382 1.00 1.00 H new ATOM 456 N LEU A 30 0.632 -5.734 -7.305 1.00 1.00 N ATOM 457 CA LEU A 30 0.516 -4.276 -7.321 1.00 1.00 C ATOM 458 C LEU A 30 1.028 -3.701 -8.641 1.00 1.00 C ATOM 459 O LEU A 30 1.146 -2.484 -8.788 1.00 1.00 O ATOM 460 CB LEU A 30 1.319 -3.677 -6.161 1.00 1.00 C ATOM 461 CG LEU A 30 0.568 -3.877 -4.836 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.464 -3.453 -3.671 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.714 -3.033 -4.813 1.00 1.00 C ATOM 0 H LEU A 30 1.576 -6.084 -7.139 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.538 -4.018 -7.213 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.300 -4.149 -6.106 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.486 -2.614 -6.336 1.00 1.00 H new ATOM 0 HG LEU A 30 0.304 -4.930 -4.741 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.930 -3.595 -2.731 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.370 -4.059 -3.669 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.731 -2.402 -3.781 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.234 -3.187 -3.867 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.458 -1.979 -4.919 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.362 -3.333 -5.636 1.00 1.00 H new ATOM 475 N SER A 31 1.340 -4.575 -9.590 1.00 1.00 N ATOM 476 CA SER A 31 1.851 -4.134 -10.885 1.00 1.00 C ATOM 477 C SER A 31 0.840 -3.251 -11.621 1.00 1.00 C ATOM 478 O SER A 31 1.172 -2.137 -12.025 1.00 1.00 O ATOM 479 CB SER A 31 2.213 -5.343 -11.749 1.00 1.00 C ATOM 480 OG SER A 31 3.625 -5.404 -11.898 1.00 1.00 O ATOM 0 H SER A 31 1.250 -5.586 -9.490 1.00 1.00 H new ATOM 0 HA SER A 31 2.745 -3.538 -10.701 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.844 -6.259 -11.287 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.735 -5.264 -12.725 1.00 1.00 H new ATOM 0 HG SER A 31 3.863 -6.178 -12.450 1.00 1.00 H new ATOM 486 N PRO A 32 -0.374 -3.712 -11.812 1.00 1.00 N ATOM 487 CA PRO A 32 -1.419 -2.923 -12.525 1.00 1.00 C ATOM 488 C PRO A 32 -2.020 -1.827 -11.649 1.00 1.00 C ATOM 489 O PRO A 32 -2.818 -1.014 -12.115 1.00 1.00 O ATOM 490 CB PRO A 32 -2.471 -3.968 -12.888 1.00 1.00 C ATOM 491 CG PRO A 32 -2.348 -5.030 -11.847 1.00 1.00 C ATOM 492 CD PRO A 32 -0.891 -5.024 -11.375 1.00 1.00 C ATOM 0 HA PRO A 32 -1.014 -2.397 -13.389 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.471 -3.534 -12.891 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.296 -4.372 -13.885 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.024 -4.835 -11.015 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.618 -6.004 -12.255 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.822 -5.139 -10.293 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.325 -5.843 -11.819 1.00 1.00 H new ATOM 500 N TYR A 33 -1.634 -1.816 -10.378 1.00 1.00 N ATOM 501 CA TYR A 33 -2.146 -0.816 -9.446 1.00 1.00 C ATOM 502 C TYR A 33 -1.130 0.304 -9.238 1.00 1.00 C ATOM 503 O TYR A 33 -1.496 1.432 -8.909 1.00 1.00 O ATOM 504 CB TYR A 33 -2.467 -1.473 -8.104 1.00 1.00 C ATOM 505 CG TYR A 33 -3.594 -2.461 -8.282 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.314 -3.791 -8.620 1.00 1.00 C ATOM 507 CD2 TYR A 33 -4.920 -2.048 -8.108 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.359 -4.707 -8.783 1.00 1.00 C ATOM 509 CE2 TYR A 33 -5.966 -2.964 -8.271 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.685 -4.294 -8.608 1.00 1.00 C ATOM 511 OH TYR A 33 -6.716 -5.198 -8.770 1.00 1.00 O ATOM 0 H TYR A 33 -0.975 -2.480 -9.972 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.054 -0.387 -9.869 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.584 -1.979 -7.715 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.747 -0.714 -7.374 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.291 -4.110 -8.755 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.136 -1.022 -7.848 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.143 -5.732 -9.044 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -6.989 -2.645 -8.137 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.573 -4.749 -8.612 1.00 1.00 H new ATOM 521 N ALA A 34 0.146 -0.015 -9.429 1.00 1.00 N ATOM 522 CA ALA A 34 1.204 0.974 -9.256 1.00 1.00 C ATOM 523 C ALA A 34 2.575 0.307 -9.324 1.00 1.00 C ATOM 524 O ALA A 34 2.779 -0.772 -8.768 1.00 1.00 O ATOM 525 CB ALA A 34 1.044 1.682 -7.911 1.00 1.00 C ATOM 0 H ALA A 34 0.471 -0.943 -9.701 1.00 1.00 H new ATOM 0 HA ALA A 34 1.127 1.706 -10.060 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.838 2.419 -7.791 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.077 2.183 -7.876 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.103 0.950 -7.105 1.00 1.00 H new ATOM 531 N SER A 35 3.509 0.958 -10.006 1.00 1.00 N ATOM 532 CA SER A 35 4.857 0.418 -10.140 1.00 1.00 C ATOM 533 C SER A 35 5.716 0.820 -8.947 1.00 1.00 C ATOM 534 O SER A 35 6.576 1.695 -9.054 1.00 1.00 O ATOM 535 CB SER A 35 5.497 0.934 -11.428 1.00 1.00 C ATOM 536 OG SER A 35 4.535 0.907 -12.473 1.00 1.00 O ATOM 0 H SER A 35 3.361 1.853 -10.472 1.00 1.00 H new ATOM 0 HA SER A 35 4.792 -0.669 -10.176 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.865 1.950 -11.283 1.00 1.00 H new ATOM 0 HB3 SER A 35 6.356 0.318 -11.693 1.00 1.00 H new ATOM 0 HG SER A 35 4.942 1.239 -13.301 1.00 1.00 H new ATOM 542 N LEU A 36 5.475 0.179 -7.808 1.00 1.00 N ATOM 543 CA LEU A 36 6.231 0.477 -6.602 1.00 1.00 C ATOM 544 C LEU A 36 7.729 0.405 -6.876 1.00 1.00 C ATOM 545 O LEU A 36 8.153 0.197 -8.015 1.00 1.00 O ATOM 546 CB LEU A 36 5.856 -0.503 -5.485 1.00 1.00 C ATOM 547 CG LEU A 36 5.572 -1.893 -6.063 1.00 1.00 C ATOM 548 CD1 LEU A 36 6.764 -2.364 -6.898 1.00 1.00 C ATOM 549 CD2 LEU A 36 5.345 -2.880 -4.914 1.00 1.00 C ATOM 0 H LEU A 36 4.766 -0.546 -7.697 1.00 1.00 H new ATOM 0 HA LEU A 36 5.983 1.490 -6.284 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.667 -0.563 -4.759 1.00 1.00 H new ATOM 0 HB3 LEU A 36 4.978 -0.138 -4.953 1.00 1.00 H new ATOM 0 HG LEU A 36 4.685 -1.844 -6.695 1.00 1.00 H new ATOM 0 HD11 LEU A 36 6.555 -3.353 -7.306 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.935 -1.663 -7.715 1.00 1.00 H new ATOM 0 HD13 LEU A 36 7.653 -2.412 -6.269 1.00 1.00 H new ATOM 0 HD21 LEU A 36 5.142 -3.871 -5.320 1.00 1.00 H new ATOM 0 HD22 LEU A 36 6.236 -2.920 -4.287 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.495 -2.552 -4.316 1.00 1.00 H new ATOM 561 N ALA A 37 8.528 0.584 -5.828 1.00 1.00 N ATOM 562 CA ALA A 37 9.980 0.543 -5.971 1.00 1.00 C ATOM 563 C ALA A 37 10.608 -0.248 -4.826 1.00 1.00 C ATOM 564 O ALA A 37 10.313 -0.008 -3.656 1.00 1.00 O ATOM 565 CB ALA A 37 10.539 1.969 -5.991 1.00 1.00 C ATOM 0 H ALA A 37 8.199 0.757 -4.878 1.00 1.00 H new ATOM 0 HA ALA A 37 10.226 0.047 -6.910 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.623 1.933 -6.098 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.109 2.516 -6.830 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.283 2.473 -5.059 1.00 1.00 H new ATOM 571 N VAL A 38 11.468 -1.200 -5.177 1.00 1.00 N ATOM 572 CA VAL A 38 12.129 -2.037 -4.179 1.00 1.00 C ATOM 573 C VAL A 38 12.785 -1.190 -3.091 1.00 1.00 C ATOM 574 O VAL A 38 12.768 -1.554 -1.915 1.00 1.00 O ATOM 575 CB VAL A 38 13.189 -2.905 -4.855 1.00 1.00 C ATOM 576 CG1 VAL A 38 13.983 -3.664 -3.790 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.507 -3.906 -5.791 1.00 1.00 C ATOM 0 H VAL A 38 11.723 -1.411 -6.142 1.00 1.00 H new ATOM 0 HA VAL A 38 11.372 -2.668 -3.713 1.00 1.00 H new ATOM 0 HB VAL A 38 13.865 -2.271 -5.429 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.739 -4.283 -4.272 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.469 -2.952 -3.122 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.308 -4.298 -3.215 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.263 -4.526 -6.274 1.00 1.00 H new ATOM 0 HG22 VAL A 38 11.831 -4.539 -5.216 1.00 1.00 H new ATOM 0 HG23 VAL A 38 11.941 -3.367 -6.550 1.00 1.00 H new ATOM 587 N ASN A 39 13.381 -0.069 -3.490 1.00 1.00 N ATOM 588 CA ASN A 39 14.057 0.808 -2.537 1.00 1.00 C ATOM 589 C ASN A 39 13.064 1.711 -1.808 1.00 1.00 C ATOM 590 O ASN A 39 13.462 2.543 -0.991 1.00 1.00 O ATOM 591 CB ASN A 39 15.088 1.669 -3.266 1.00 1.00 C ATOM 592 CG ASN A 39 16.285 0.813 -3.672 1.00 1.00 C ATOM 593 OD1 ASN A 39 17.038 0.354 -2.815 1.00 1.00 O ATOM 594 ND2 ASN A 39 16.500 0.565 -4.936 1.00 1.00 N ATOM 0 H ASN A 39 13.410 0.252 -4.458 1.00 1.00 H new ATOM 0 HA ASN A 39 14.554 0.180 -1.798 1.00 1.00 H new ATOM 0 HB2 ASN A 39 14.637 2.122 -4.149 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.415 2.485 -2.621 1.00 1.00 H new ATOM 0 HD21 ASN A 39 17.294 -0.011 -5.215 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.874 0.947 -5.644 1.00 1.00 H new ATOM 601 N ASN A 40 11.777 1.547 -2.105 1.00 1.00 N ATOM 602 CA ASN A 40 10.740 2.360 -1.469 1.00 1.00 C ATOM 603 C ASN A 40 9.825 1.499 -0.599 1.00 1.00 C ATOM 604 O ASN A 40 8.872 2.004 -0.005 1.00 1.00 O ATOM 605 CB ASN A 40 9.904 3.073 -2.540 1.00 1.00 C ATOM 606 CG ASN A 40 9.637 4.528 -2.158 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.841 4.928 -1.013 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.173 5.343 -3.065 1.00 1.00 N ATOM 0 H ASN A 40 11.428 0.864 -2.777 1.00 1.00 H new ATOM 0 HA ASN A 40 11.230 3.098 -0.834 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.426 3.036 -3.496 1.00 1.00 H new ATOM 0 HB3 ASN A 40 8.957 2.550 -2.673 1.00 1.00 H new ATOM 0 HD21 ASN A 40 8.978 6.315 -2.825 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.005 5.008 -4.014 1.00 1.00 H new ATOM 615 N ILE A 41 10.115 0.201 -0.524 1.00 1.00 N ATOM 616 CA ILE A 41 9.308 -0.705 0.278 1.00 1.00 C ATOM 617 C ILE A 41 10.200 -1.634 1.096 1.00 1.00 C ATOM 618 O ILE A 41 11.172 -2.187 0.582 1.00 1.00 O ATOM 619 CB ILE A 41 8.393 -1.528 -0.628 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.223 -2.494 -1.479 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.609 -0.591 -1.548 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.328 -3.139 -2.540 1.00 1.00 C ATOM 0 H ILE A 41 10.898 -0.240 -1.007 1.00 1.00 H new ATOM 0 HA ILE A 41 8.699 -0.115 0.963 1.00 1.00 H new ATOM 0 HB ILE A 41 7.703 -2.100 -0.008 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.045 -1.960 -1.957 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.667 -3.263 -0.847 1.00 1.00 H new ATOM 0 HG21 ILE A 41 6.956 -1.178 -2.194 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.007 0.090 -0.946 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.304 -0.016 -2.160 1.00 1.00 H new ATOM 0 HD11 ILE A 41 8.919 -3.826 -3.145 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.522 -3.687 -2.052 1.00 1.00 H new ATOM 0 HD13 ILE A 41 7.905 -2.364 -3.179 1.00 1.00 H new ATOM 634 N ARG A 42 9.859 -1.794 2.372 1.00 1.00 N ATOM 635 CA ARG A 42 10.630 -2.655 3.264 1.00 1.00 C ATOM 636 C ARG A 42 9.731 -3.703 3.910 1.00 1.00 C ATOM 637 O ARG A 42 8.847 -3.375 4.701 1.00 1.00 O ATOM 638 CB ARG A 42 11.297 -1.813 4.354 1.00 1.00 C ATOM 639 CG ARG A 42 12.504 -2.567 4.914 1.00 1.00 C ATOM 640 CD ARG A 42 13.109 -1.774 6.073 1.00 1.00 C ATOM 641 NE ARG A 42 12.138 -1.637 7.152 1.00 1.00 N ATOM 642 CZ ARG A 42 12.508 -1.237 8.365 1.00 1.00 C ATOM 643 NH1 ARG A 42 13.761 -0.961 8.606 1.00 1.00 N ATOM 644 NH2 ARG A 42 11.619 -1.120 9.313 1.00 1.00 N ATOM 0 H ARG A 42 9.057 -1.341 2.810 1.00 1.00 H new ATOM 0 HA ARG A 42 11.394 -3.162 2.675 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.612 -0.853 3.945 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.585 -1.601 5.152 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.201 -3.557 5.256 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.249 -2.714 4.132 1.00 1.00 H new ATOM 0 HD2 ARG A 42 14.003 -2.278 6.440 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.419 -0.788 5.726 1.00 1.00 H new ATOM 0 HE ARG A 42 11.157 -1.852 6.973 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.455 -1.052 7.864 1.00 1.00 H new ATOM 0 HH12 ARG A 42 14.046 -0.654 9.536 1.00 1.00 H new ATOM 0 HH21 ARG A 42 10.640 -1.335 9.124 1.00 1.00 H new ATOM 0 HH22 ARG A 42 11.903 -0.813 10.243 1.00 1.00 H new ATOM 658 N LEU A 43 9.966 -4.964 3.566 1.00 1.00 N ATOM 659 CA LEU A 43 9.175 -6.059 4.119 1.00 1.00 C ATOM 660 C LEU A 43 9.893 -6.670 5.317 1.00 1.00 C ATOM 661 O LEU A 43 10.824 -7.461 5.160 1.00 1.00 O ATOM 662 CB LEU A 43 8.963 -7.137 3.047 1.00 1.00 C ATOM 663 CG LEU A 43 7.554 -7.031 2.449 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.557 -7.615 1.040 1.00 1.00 C ATOM 665 CD2 LEU A 43 6.573 -7.823 3.314 1.00 1.00 C ATOM 0 H LEU A 43 10.693 -5.253 2.911 1.00 1.00 H new ATOM 0 HA LEU A 43 8.209 -5.669 4.441 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.708 -7.026 2.259 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.106 -8.125 3.484 1.00 1.00 H new ATOM 0 HG LEU A 43 7.253 -5.984 2.415 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.557 -7.541 0.613 1.00 1.00 H new ATOM 0 HD12 LEU A 43 8.259 -7.060 0.418 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.857 -8.662 1.081 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.572 -7.748 2.890 1.00 1.00 H new ATOM 0 HD22 LEU A 43 6.877 -8.869 3.344 1.00 1.00 H new ATOM 0 HD23 LEU A 43 6.570 -7.417 4.325 1.00 1.00 H new ATOM 677 N ILE A 44 9.453 -6.301 6.515 1.00 1.00 N ATOM 678 CA ILE A 44 10.059 -6.820 7.734 1.00 1.00 C ATOM 679 C ILE A 44 9.934 -8.339 7.773 1.00 1.00 C ATOM 680 O ILE A 44 8.899 -8.874 8.159 1.00 1.00 O ATOM 681 CB ILE A 44 9.365 -6.208 8.955 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.790 -4.740 9.101 1.00 1.00 C ATOM 683 CG2 ILE A 44 9.742 -6.989 10.216 1.00 1.00 C ATOM 684 CD1 ILE A 44 11.060 -4.637 9.953 1.00 1.00 C ATOM 0 H ILE A 44 8.684 -5.649 6.667 1.00 1.00 H new ATOM 0 HA ILE A 44 11.116 -6.553 7.750 1.00 1.00 H new ATOM 0 HB ILE A 44 8.285 -6.259 8.820 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.968 -4.306 8.117 1.00 1.00 H new ATOM 0 HG13 ILE A 44 8.987 -4.166 9.562 1.00 1.00 H new ATOM 0 HG21 ILE A 44 9.245 -6.548 11.080 1.00 1.00 H new ATOM 0 HG22 ILE A 44 9.429 -8.027 10.108 1.00 1.00 H new ATOM 0 HG23 ILE A 44 10.822 -6.949 10.360 1.00 1.00 H new ATOM 0 HD11 ILE A 44 11.350 -3.591 10.048 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.869 -5.052 10.943 1.00 1.00 H new ATOM 0 HD13 ILE A 44 11.865 -5.195 9.475 1.00 1.00 H new ATOM 817 N ASN A 52 7.331 -12.076 6.105 1.00 1.00 N ATOM 818 CA ASN A 52 6.650 -11.028 6.862 1.00 1.00 C ATOM 819 C ASN A 52 5.907 -11.590 8.070 1.00 1.00 C ATOM 820 O ASN A 52 5.254 -12.630 7.982 1.00 1.00 O ATOM 821 CB ASN A 52 5.652 -10.311 5.953 1.00 1.00 C ATOM 822 CG ASN A 52 4.288 -10.989 6.052 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.395 -10.489 6.735 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.074 -12.102 5.404 1.00 1.00 N ATOM 0 HA ASN A 52 7.409 -10.334 7.223 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.570 -9.263 6.242 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.005 -10.331 4.922 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.164 -12.560 5.463 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.816 -12.514 4.839 1.00 1.00 H new ATOM 831 N ARG A 53 6.009 -10.892 9.197 1.00 1.00 N ATOM 832 CA ARG A 53 5.338 -11.322 10.419 1.00 1.00 C ATOM 833 C ARG A 53 3.885 -10.859 10.416 1.00 1.00 C ATOM 834 O ARG A 53 3.302 -10.607 11.470 1.00 1.00 O ATOM 835 CB ARG A 53 6.055 -10.742 11.641 1.00 1.00 C ATOM 836 CG ARG A 53 5.901 -11.692 12.833 1.00 1.00 C ATOM 837 CD ARG A 53 6.506 -11.047 14.081 1.00 1.00 C ATOM 838 NE ARG A 53 5.467 -10.384 14.860 1.00 1.00 N ATOM 839 CZ ARG A 53 5.732 -9.858 16.051 1.00 1.00 C ATOM 840 NH1 ARG A 53 6.937 -9.927 16.543 1.00 1.00 N ATOM 841 NH2 ARG A 53 4.784 -9.269 16.730 1.00 1.00 N ATOM 0 H ARG A 53 6.547 -10.030 9.289 1.00 1.00 H new ATOM 0 HA ARG A 53 5.365 -12.411 10.465 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.111 -10.593 11.417 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.640 -9.765 11.887 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.847 -11.915 13.000 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.398 -12.639 12.623 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.998 -11.806 14.689 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.270 -10.325 13.792 1.00 1.00 H new ATOM 0 HE ARG A 53 4.521 -10.323 14.484 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.679 -10.385 16.014 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.138 -9.523 17.457 1.00 1.00 H new ATOM 0 HH21 ARG A 53 3.841 -9.213 16.346 1.00 1.00 H new ATOM 0 HH22 ARG A 53 4.987 -8.865 17.644 1.00 1.00 H new ATOM 855 N GLY A 54 3.302 -10.746 9.224 1.00 1.00 N ATOM 856 CA GLY A 54 1.916 -10.311 9.100 1.00 1.00 C ATOM 857 C GLY A 54 1.824 -8.792 8.973 1.00 1.00 C ATOM 858 O GLY A 54 0.799 -8.194 9.299 1.00 1.00 O ATOM 0 H GLY A 54 3.765 -10.948 8.338 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.462 -10.780 8.227 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.349 -10.641 9.971 1.00 1.00 H new ATOM 862 N PHE A 55 2.901 -8.173 8.494 1.00 1.00 N ATOM 863 CA PHE A 55 2.927 -6.722 8.328 1.00 1.00 C ATOM 864 C PHE A 55 3.987 -6.317 7.306 1.00 1.00 C ATOM 865 O PHE A 55 5.040 -6.944 7.206 1.00 1.00 O ATOM 866 CB PHE A 55 3.224 -6.044 9.668 1.00 1.00 C ATOM 867 CG PHE A 55 2.146 -6.403 10.661 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.981 -5.632 10.738 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.311 -7.507 11.506 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.021 -5.964 11.657 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.309 -7.839 12.426 1.00 1.00 C ATOM 872 CZ PHE A 55 0.144 -7.068 12.502 1.00 1.00 C ATOM 0 H PHE A 55 3.760 -8.648 8.216 1.00 1.00 H new ATOM 0 HA PHE A 55 1.949 -6.401 7.969 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.198 -6.362 10.041 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.269 -4.963 9.539 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.855 -4.779 10.087 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.210 -8.102 11.448 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.921 -5.369 11.714 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.436 -8.691 13.078 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.628 -7.324 13.212 1.00 1.00 H new ATOM 882 N ALA A 56 3.698 -5.262 6.547 1.00 1.00 N ATOM 883 CA ALA A 56 4.632 -4.781 5.534 1.00 1.00 C ATOM 884 C ALA A 56 4.440 -3.287 5.292 1.00 1.00 C ATOM 885 O ALA A 56 3.319 -2.780 5.340 1.00 1.00 O ATOM 886 CB ALA A 56 4.414 -5.540 4.224 1.00 1.00 C ATOM 0 H ALA A 56 2.831 -4.728 6.614 1.00 1.00 H new ATOM 0 HA ALA A 56 5.647 -4.953 5.893 1.00 1.00 H new ATOM 0 HB1 ALA A 56 5.114 -5.176 3.472 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.579 -6.605 4.389 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.393 -5.380 3.877 1.00 1.00 H new ATOM 892 N PHE A 57 5.541 -2.587 5.032 1.00 1.00 N ATOM 893 CA PHE A 57 5.486 -1.150 4.782 1.00 1.00 C ATOM 894 C PHE A 57 5.715 -0.855 3.302 1.00 1.00 C ATOM 895 O PHE A 57 6.525 -1.512 2.648 1.00 1.00 O ATOM 896 CB PHE A 57 6.549 -0.434 5.619 1.00 1.00 C ATOM 897 CG PHE A 57 5.900 0.198 6.828 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.190 1.396 6.696 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.012 -0.416 8.081 1.00 1.00 C ATOM 900 CE1 PHE A 57 4.590 1.981 7.817 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.411 0.168 9.202 1.00 1.00 C ATOM 902 CZ PHE A 57 4.700 1.367 9.070 1.00 1.00 C ATOM 0 H PHE A 57 6.477 -2.989 4.989 1.00 1.00 H new ATOM 0 HA PHE A 57 4.497 -0.787 5.064 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.316 -1.141 5.934 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.046 0.329 5.019 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.105 1.870 5.729 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.562 -1.340 8.183 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.042 2.906 7.715 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.496 -0.306 10.169 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.236 1.818 9.935 1.00 1.00 H new ATOM 912 N VAL A 58 4.994 0.133 2.780 1.00 1.00 N ATOM 913 CA VAL A 58 5.126 0.501 1.374 1.00 1.00 C ATOM 914 C VAL A 58 5.023 2.011 1.199 1.00 1.00 C ATOM 915 O VAL A 58 4.189 2.662 1.827 1.00 1.00 O ATOM 916 CB VAL A 58 4.029 -0.180 0.554 1.00 1.00 C ATOM 917 CG1 VAL A 58 2.688 -0.044 1.276 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.936 0.486 -0.821 1.00 1.00 C ATOM 0 H VAL A 58 4.318 0.689 3.304 1.00 1.00 H new ATOM 0 HA VAL A 58 6.105 0.173 1.025 1.00 1.00 H new ATOM 0 HB VAL A 58 4.269 -1.236 0.434 1.00 1.00 H new ATOM 0 HG11 VAL A 58 1.908 -0.530 0.690 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.753 -0.517 2.256 1.00 1.00 H new ATOM 0 HG13 VAL A 58 2.446 1.012 1.398 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.155 0.002 -1.407 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.696 1.542 -0.698 1.00 1.00 H new ATOM 0 HG23 VAL A 58 4.891 0.388 -1.338 1.00 1.00 H new ATOM 928 N GLN A 59 5.876 2.561 0.334 1.00 1.00 N ATOM 929 CA GLN A 59 5.872 3.997 0.075 1.00 1.00 C ATOM 930 C GLN A 59 5.802 4.264 -1.425 1.00 1.00 C ATOM 931 O GLN A 59 6.249 3.447 -2.230 1.00 1.00 O ATOM 932 CB GLN A 59 7.132 4.640 0.655 1.00 1.00 C ATOM 933 CG GLN A 59 7.141 6.135 0.330 1.00 1.00 C ATOM 934 CD GLN A 59 8.083 6.866 1.280 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.871 7.709 0.849 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.051 6.593 2.556 1.00 1.00 N ATOM 0 H GLN A 59 6.573 2.036 -0.195 1.00 1.00 H new ATOM 0 HA GLN A 59 4.995 4.433 0.554 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.164 4.492 1.734 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.020 4.162 0.241 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.458 6.290 -0.701 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.134 6.541 0.418 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.398 5.895 2.912 1.00 1.00 H new ATOM 0 HE22 GLN A 59 8.679 7.078 3.197 1.00 1.00 H new ATOM 945 N LEU A 60 5.236 5.411 -1.790 1.00 1.00 N ATOM 946 CA LEU A 60 5.106 5.778 -3.198 1.00 1.00 C ATOM 947 C LEU A 60 6.065 6.919 -3.533 1.00 1.00 C ATOM 948 O LEU A 60 6.637 7.542 -2.638 1.00 1.00 O ATOM 949 CB LEU A 60 3.662 6.211 -3.498 1.00 1.00 C ATOM 950 CG LEU A 60 2.799 5.012 -3.923 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.296 4.442 -5.257 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.849 3.917 -2.856 1.00 1.00 C ATOM 0 H LEU A 60 4.862 6.099 -1.136 1.00 1.00 H new ATOM 0 HA LEU A 60 5.354 4.911 -3.811 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.229 6.679 -2.614 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.661 6.961 -4.289 1.00 1.00 H new ATOM 0 HG LEU A 60 1.771 5.356 -4.039 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.675 3.594 -5.544 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.237 5.212 -6.026 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.330 4.115 -5.150 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.233 3.074 -3.170 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.879 3.585 -2.724 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.471 4.311 -1.913 1.00 1.00 H new ATOM 964 N SER A 61 6.242 7.184 -4.823 1.00 1.00 N ATOM 965 CA SER A 61 7.143 8.247 -5.261 1.00 1.00 C ATOM 966 C SER A 61 6.727 9.594 -4.679 1.00 1.00 C ATOM 967 O SER A 61 7.576 10.413 -4.321 1.00 1.00 O ATOM 968 CB SER A 61 7.147 8.330 -6.787 1.00 1.00 C ATOM 969 OG SER A 61 5.875 8.780 -7.237 1.00 1.00 O ATOM 0 H SER A 61 5.778 6.682 -5.580 1.00 1.00 H new ATOM 0 HA SER A 61 8.145 8.010 -4.903 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.927 9.013 -7.123 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.372 7.353 -7.215 1.00 1.00 H new ATOM 0 HG SER A 61 5.875 8.836 -8.215 1.00 1.00 H new ATOM 975 N SER A 62 5.422 9.818 -4.591 1.00 1.00 N ATOM 976 CA SER A 62 4.897 11.072 -4.056 1.00 1.00 C ATOM 977 C SER A 62 3.918 10.803 -2.917 1.00 1.00 C ATOM 978 O SER A 62 3.692 9.654 -2.539 1.00 1.00 O ATOM 979 CB SER A 62 4.193 11.856 -5.162 1.00 1.00 C ATOM 980 OG SER A 62 4.928 11.727 -6.371 1.00 1.00 O ATOM 0 H SER A 62 4.708 9.151 -4.882 1.00 1.00 H new ATOM 0 HA SER A 62 5.731 11.657 -3.670 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.178 11.483 -5.299 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.111 12.907 -4.883 1.00 1.00 H new ATOM 0 HG SER A 62 4.477 12.228 -7.083 1.00 1.00 H new ATOM 986 N ALA A 63 3.341 11.871 -2.375 1.00 1.00 N ATOM 987 CA ALA A 63 2.389 11.740 -1.278 1.00 1.00 C ATOM 988 C ALA A 63 0.986 11.472 -1.811 1.00 1.00 C ATOM 989 O ALA A 63 0.257 10.638 -1.274 1.00 1.00 O ATOM 990 CB ALA A 63 2.384 13.017 -0.436 1.00 1.00 C ATOM 0 H ALA A 63 3.514 12.830 -2.675 1.00 1.00 H new ATOM 0 HA ALA A 63 2.694 10.897 -0.658 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.670 12.911 0.381 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.380 13.188 -0.028 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.098 13.863 -1.060 1.00 1.00 H new ATOM 996 N MET A 64 0.613 12.184 -2.869 1.00 1.00 N ATOM 997 CA MET A 64 -0.708 12.014 -3.464 1.00 1.00 C ATOM 998 C MET A 64 -0.883 10.590 -3.984 1.00 1.00 C ATOM 999 O MET A 64 -1.982 10.036 -3.948 1.00 1.00 O ATOM 1000 CB MET A 64 -0.893 13.005 -4.615 1.00 1.00 C ATOM 1001 CG MET A 64 -0.074 14.266 -4.338 1.00 1.00 C ATOM 1002 SD MET A 64 -0.785 15.660 -5.250 1.00 1.00 S ATOM 1003 CE MET A 64 -1.226 16.670 -3.814 1.00 1.00 C ATOM 0 H MET A 64 1.201 12.879 -3.329 1.00 1.00 H new ATOM 0 HA MET A 64 -1.459 12.203 -2.697 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.576 12.551 -5.554 1.00 1.00 H new ATOM 0 HB3 MET A 64 -1.947 13.260 -4.724 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.068 14.482 -3.270 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.963 14.112 -4.638 1.00 1.00 H new ATOM 0 HE1 MET A 64 -1.690 17.598 -4.150 1.00 1.00 H new ATOM 0 HE2 MET A 64 -1.927 16.121 -3.185 1.00 1.00 H new ATOM 0 HE3 MET A 64 -0.328 16.900 -3.241 1.00 1.00 H new ATOM 1013 N ASP A 65 0.207 10.006 -4.472 1.00 1.00 N ATOM 1014 CA ASP A 65 0.161 8.647 -5.000 1.00 1.00 C ATOM 1015 C ASP A 65 -0.235 7.656 -3.910 1.00 1.00 C ATOM 1016 O ASP A 65 -0.942 6.682 -4.171 1.00 1.00 O ATOM 1017 CB ASP A 65 1.528 8.262 -5.569 1.00 1.00 C ATOM 1018 CG ASP A 65 1.616 8.667 -7.037 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.074 7.948 -7.861 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.224 9.685 -7.314 1.00 1.00 O ATOM 0 H ASP A 65 1.125 10.448 -4.513 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.587 8.613 -5.792 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.319 8.752 -5.000 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.683 7.188 -5.470 1.00 1.00 H new ATOM 1025 N ALA A 66 0.223 7.910 -2.687 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.092 7.028 -1.568 1.00 1.00 C ATOM 1027 C ALA A 66 -1.592 7.023 -1.297 1.00 1.00 C ATOM 1028 O ALA A 66 -2.208 5.964 -1.178 1.00 1.00 O ATOM 1029 CB ALA A 66 0.655 7.485 -0.313 1.00 1.00 C ATOM 0 H ALA A 66 0.807 8.711 -2.447 1.00 1.00 H new ATOM 0 HA ALA A 66 0.223 6.017 -1.828 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.413 6.820 0.517 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.729 7.458 -0.499 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.356 8.503 -0.062 1.00 1.00 H new ATOM 1035 N SER A 67 -2.175 8.214 -1.199 1.00 1.00 N ATOM 1036 CA SER A 67 -3.606 8.331 -0.942 1.00 1.00 C ATOM 1037 C SER A 67 -4.404 7.772 -2.115 1.00 1.00 C ATOM 1038 O SER A 67 -5.501 7.243 -1.937 1.00 1.00 O ATOM 1039 CB SER A 67 -3.978 9.797 -0.720 1.00 1.00 C ATOM 1040 OG SER A 67 -3.669 10.542 -1.890 1.00 1.00 O ATOM 0 H SER A 67 -1.684 9.103 -1.293 1.00 1.00 H new ATOM 0 HA SER A 67 -3.846 7.758 -0.046 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.040 9.884 -0.489 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.432 10.197 0.135 1.00 1.00 H new ATOM 0 HG SER A 67 -2.971 10.078 -2.398 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.847 7.894 -3.314 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.509 7.404 -4.511 1.00 1.00 C ATOM 1048 C GLN A 68 -4.559 5.878 -4.512 1.00 1.00 C ATOM 1049 O GLN A 68 -5.636 5.285 -4.567 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.760 7.891 -5.752 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.673 8.791 -6.584 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.988 9.169 -7.893 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.469 8.822 -8.970 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.887 9.871 -7.862 1.00 1.00 N ATOM 0 H GLN A 68 -2.939 8.328 -3.480 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.529 7.788 -4.524 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.865 8.438 -5.457 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.431 7.039 -6.348 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.612 8.277 -6.791 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.920 9.691 -6.021 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.490 10.158 -6.967 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.424 10.133 -8.733 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.390 5.251 -4.453 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.316 3.791 -4.449 1.00 1.00 C ATOM 1065 C LEU A 69 -4.286 3.212 -3.425 1.00 1.00 C ATOM 1066 O LEU A 69 -4.763 2.088 -3.573 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.890 3.334 -4.122 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.527 2.112 -4.969 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.093 1.682 -4.658 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.481 0.960 -4.646 1.00 1.00 C ATOM 0 H LEU A 69 -2.487 5.723 -4.408 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.590 3.430 -5.441 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.186 4.143 -4.316 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.811 3.089 -3.063 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.611 2.369 -6.025 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.165 0.812 -5.261 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.590 2.499 -4.889 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.010 1.428 -3.601 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.220 0.091 -5.251 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.399 0.705 -3.589 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.505 1.262 -4.868 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.577 3.989 -2.387 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.494 3.537 -1.346 1.00 1.00 C ATOM 1084 C LEU A 70 -6.939 3.679 -1.820 1.00 1.00 C ATOM 1085 O LEU A 70 -7.790 2.854 -1.494 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.284 4.357 -0.062 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.944 3.437 1.120 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.426 4.281 2.285 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.200 2.687 1.569 1.00 1.00 C ATOM 0 H LEU A 70 -4.196 4.924 -2.244 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.291 2.487 -1.134 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.480 5.077 -0.212 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.185 4.928 0.162 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.182 2.721 0.811 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.184 3.631 3.126 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.531 4.821 1.974 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.193 4.994 2.587 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.954 2.035 2.408 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.961 3.404 1.877 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.580 2.087 0.742 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.206 4.723 -2.595 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.551 4.950 -3.111 1.00 1.00 C ATOM 1103 C GLN A 71 -8.788 4.108 -4.362 1.00 1.00 C ATOM 1104 O GLN A 71 -9.919 3.725 -4.661 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.741 6.431 -3.441 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.071 6.626 -4.169 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.721 7.934 -3.731 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.716 7.922 -3.006 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.217 9.068 -4.134 1.00 1.00 N ATOM 0 H GLN A 71 -6.517 5.420 -2.878 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.271 4.657 -2.347 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.725 7.023 -2.526 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.919 6.784 -4.063 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.907 6.635 -5.247 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.737 5.790 -3.955 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.393 9.075 -4.735 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.647 9.948 -3.848 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.713 3.824 -5.092 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.814 3.030 -6.310 1.00 1.00 C ATOM 1120 C ILE A 72 -8.057 1.561 -5.975 1.00 1.00 C ATOM 1121 O ILE A 72 -8.842 0.885 -6.641 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.528 3.167 -7.126 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.587 4.453 -7.955 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.379 1.967 -8.064 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.194 4.776 -8.499 1.00 1.00 C ATOM 0 H ILE A 72 -6.768 4.130 -4.862 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.657 3.398 -6.895 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.675 3.204 -6.449 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.292 4.335 -8.778 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.949 5.278 -7.341 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.461 2.070 -8.643 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.337 1.049 -7.477 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.232 1.926 -8.741 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.237 5.692 -9.089 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.501 4.912 -7.668 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -4.850 3.955 -9.128 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.376 1.072 -4.945 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.527 -0.321 -4.536 1.00 1.00 C ATOM 1139 C LEU A 73 -8.817 -0.518 -3.744 1.00 1.00 C ATOM 1140 O LEU A 73 -9.441 -1.578 -3.814 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.329 -0.748 -3.688 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.277 -2.275 -3.612 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.420 -2.818 -4.757 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.662 -2.696 -2.276 1.00 1.00 C ATOM 0 H LEU A 73 -6.720 1.613 -4.382 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.575 -0.938 -5.433 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.406 -0.363 -4.123 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.410 -0.326 -2.686 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.287 -2.676 -3.694 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.385 -3.906 -4.701 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -5.854 -2.518 -5.711 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.409 -2.417 -4.677 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.624 -3.784 -2.220 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.652 -2.293 -2.197 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.271 -2.311 -1.458 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.216 0.505 -2.993 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.441 0.419 -2.197 1.00 1.00 C ATOM 1158 C GLN A 74 -11.659 0.742 -3.057 1.00 1.00 C ATOM 1159 O GLN A 74 -12.798 0.520 -2.643 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.389 1.389 -1.012 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.300 0.952 -0.030 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.099 2.034 1.025 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.089 3.222 0.702 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.940 1.694 2.275 1.00 1.00 N ATOM 0 H GLN A 74 -8.718 1.392 -2.918 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.523 -0.600 -1.820 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.187 2.400 -1.367 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.356 1.415 -0.509 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.581 0.013 0.447 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.366 0.772 -0.563 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.949 0.709 2.541 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.807 2.413 2.986 1.00 1.00 H new ATOM 1173 N SER A 75 -11.414 1.264 -4.255 1.00 1.00 N ATOM 1174 CA SER A 75 -12.501 1.610 -5.164 1.00 1.00 C ATOM 1175 C SER A 75 -13.192 0.348 -5.659 1.00 1.00 C ATOM 1176 O SER A 75 -14.380 0.359 -5.979 1.00 1.00 O ATOM 1177 CB SER A 75 -11.956 2.399 -6.355 1.00 1.00 C ATOM 1178 OG SER A 75 -12.592 1.951 -7.545 1.00 1.00 O ATOM 0 H SER A 75 -10.480 1.455 -4.617 1.00 1.00 H new ATOM 0 HA SER A 75 -13.224 2.225 -4.627 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.135 3.465 -6.212 1.00 1.00 H new ATOM 0 HB3 SER A 75 -10.877 2.264 -6.432 1.00 1.00 H new ATOM 0 HG SER A 75 -12.246 2.456 -8.311 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.437 -0.743 -5.708 1.00 1.00 N ATOM 1185 CA LEU A 76 -12.982 -2.018 -6.154 1.00 1.00 C ATOM 1186 C LEU A 76 -13.921 -2.585 -5.094 1.00 1.00 C ATOM 1187 O LEU A 76 -13.636 -2.514 -3.898 1.00 1.00 O ATOM 1188 CB LEU A 76 -11.847 -3.014 -6.425 1.00 1.00 C ATOM 1189 CG LEU A 76 -10.885 -2.436 -7.469 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.725 -3.410 -7.685 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.621 -2.225 -8.795 1.00 1.00 C ATOM 0 H LEU A 76 -11.452 -0.770 -5.446 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.540 -1.855 -7.076 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.310 -3.227 -5.501 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.258 -3.959 -6.780 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.503 -1.479 -7.113 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.040 -3.001 -8.427 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.195 -3.559 -6.744 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.113 -4.366 -8.038 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -10.932 -1.814 -9.532 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.008 -3.179 -9.152 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.448 -1.531 -8.646 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.044 -3.138 -5.538 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.020 -3.703 -4.608 1.00 1.00 C ATOM 1205 C HIS A 77 -15.386 -4.782 -3.728 1.00 1.00 C ATOM 1206 O HIS A 77 -15.440 -4.686 -2.503 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.222 -4.280 -5.364 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.430 -3.425 -5.103 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.664 -3.967 -4.781 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -18.608 -2.063 -5.102 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.523 -2.947 -4.603 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -19.930 -1.764 -4.786 1.00 1.00 N ATOM 0 H HIS A 77 -15.301 -3.208 -6.523 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.366 -2.895 -3.964 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.011 -4.315 -6.433 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.411 -5.304 -5.043 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -17.839 -1.335 -5.314 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.564 -3.070 -4.344 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.355 -0.840 -4.710 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.790 -5.798 -4.309 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.145 -6.896 -3.527 1.00 1.00 C ATOM 1222 C PRO A 78 -12.778 -6.475 -2.963 1.00 1.00 C ATOM 1223 O PRO A 78 -11.847 -6.239 -3.733 1.00 1.00 O ATOM 1224 CB PRO A 78 -13.974 -8.009 -4.560 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.843 -7.309 -5.871 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.662 -6.023 -5.764 1.00 1.00 C ATOM 0 HA PRO A 78 -14.738 -7.188 -2.660 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.092 -8.613 -4.346 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.830 -8.684 -4.558 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.798 -7.086 -6.088 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.211 -7.936 -6.683 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.160 -5.189 -6.254 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.638 -6.131 -6.238 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.622 -6.379 -1.656 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.318 -5.983 -1.043 1.00 1.00 C ATOM 1236 C PRO A 79 -10.153 -6.784 -1.622 1.00 1.00 C ATOM 1237 O PRO A 79 -10.333 -7.587 -2.536 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.498 -6.287 0.445 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.969 -6.244 0.689 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.649 -6.627 -0.626 1.00 1.00 C ATOM 0 HA PRO A 79 -11.077 -4.938 -1.237 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.087 -7.265 0.698 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.977 -5.554 1.061 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.249 -6.935 1.484 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.279 -5.249 1.008 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.963 -7.671 -0.622 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.541 -6.026 -0.802 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.958 -6.567 -1.080 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.782 -7.283 -1.556 1.00 1.00 C ATOM 1250 C LEU A 80 -7.726 -8.670 -0.924 1.00 1.00 C ATOM 1251 O LEU A 80 -7.645 -8.799 0.297 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.516 -6.493 -1.207 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.278 -7.188 -1.790 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.358 -7.214 -3.319 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.023 -6.421 -1.364 1.00 1.00 C ATOM 0 H LEU A 80 -8.781 -5.910 -0.321 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.844 -7.392 -2.639 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.592 -5.479 -1.600 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.418 -6.409 -0.125 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.235 -8.212 -1.418 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.474 -7.709 -3.721 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.251 -7.758 -3.627 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.406 -6.193 -3.698 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.140 -6.910 -1.775 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.078 -5.398 -1.737 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.956 -6.408 -0.276 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.778 -9.702 -1.764 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.741 -11.079 -1.279 1.00 1.00 C ATOM 1269 C LYS A 81 -6.549 -11.825 -1.864 1.00 1.00 C ATOM 1270 O LYS A 81 -6.464 -12.030 -3.076 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.039 -11.801 -1.659 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.238 -13.037 -0.769 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.161 -14.087 -1.061 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.714 -15.475 -0.737 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.594 -16.383 -0.364 1.00 1.00 N ATOM 0 H LYS A 81 -7.845 -9.611 -2.778 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.640 -11.059 -0.194 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.886 -11.124 -1.549 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.004 -12.100 -2.707 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.196 -12.747 0.281 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.226 -13.463 -0.943 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.861 -14.037 -2.108 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.271 -13.888 -0.464 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.431 -15.410 0.081 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.249 -15.875 -1.599 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.584 -17.203 -1.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.692 -15.872 -0.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.723 -16.709 0.615 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.639 -12.235 -0.990 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.451 -12.969 -1.405 1.00 1.00 C ATOM 1291 C ILE A 82 -4.487 -14.373 -0.810 1.00 1.00 C ATOM 1292 O ILE A 82 -4.826 -14.539 0.362 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.195 -12.232 -0.932 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.167 -10.832 -1.555 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.943 -13.003 -1.361 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.026 -10.017 -0.944 1.00 1.00 C ATOM 0 H ILE A 82 -5.702 -12.071 0.015 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.430 -13.041 -2.492 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.212 -12.154 0.155 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.036 -10.907 -2.634 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.118 -10.328 -1.384 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.054 -12.472 -1.021 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.961 -14.000 -0.921 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.922 -13.087 -2.448 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.010 -9.022 -1.390 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.177 -9.930 0.132 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.077 -10.517 -1.138 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.151 -15.374 -1.626 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.159 -16.765 -1.173 1.00 1.00 C ATOM 1310 C ASP A 83 -3.767 -16.862 0.297 1.00 1.00 C ATOM 1311 O ASP A 83 -2.593 -16.734 0.648 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.185 -17.592 -2.016 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.714 -17.730 -3.440 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.827 -18.202 -3.595 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.994 -17.364 -4.355 1.00 1.00 O ATOM 0 H ASP A 83 -3.871 -15.248 -2.599 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.170 -17.155 -1.290 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.205 -17.114 -2.028 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.053 -18.578 -1.571 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.761 -17.082 1.151 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.519 -17.188 2.583 1.00 1.00 C ATOM 1322 C GLY A 84 -5.673 -16.581 3.376 1.00 1.00 C ATOM 1323 O GLY A 84 -6.284 -17.249 4.210 1.00 1.00 O ATOM 0 H GLY A 84 -5.738 -17.190 0.877 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.394 -18.235 2.858 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.590 -16.679 2.838 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.968 -15.312 3.107 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.052 -14.625 3.802 1.00 1.00 C ATOM 1329 C LYS A 85 -7.277 -13.236 3.209 1.00 1.00 C ATOM 1330 O LYS A 85 -6.592 -12.835 2.266 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.723 -14.499 5.290 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.212 -14.340 5.468 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.926 -13.603 6.779 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.445 -13.748 7.134 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.206 -15.092 7.731 1.00 1.00 N ATOM 0 H LYS A 85 -5.476 -14.743 2.418 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.963 -15.211 3.680 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.242 -13.641 5.716 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.072 -15.381 5.826 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.731 -15.318 5.476 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.793 -13.786 4.628 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.186 -12.549 6.680 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.544 -14.010 7.579 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.832 -13.621 6.242 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.151 -12.969 7.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.264 -15.114 8.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.929 -15.285 8.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.258 -15.817 6.987 1.00 1.00 H new ATOM 1349 N THR A 86 -8.238 -12.509 3.769 1.00 1.00 N ATOM 1350 CA THR A 86 -8.546 -11.165 3.287 1.00 1.00 C ATOM 1351 C THR A 86 -7.425 -10.194 3.648 1.00 1.00 C ATOM 1352 O THR A 86 -6.832 -10.288 4.722 1.00 1.00 O ATOM 1353 CB THR A 86 -9.861 -10.679 3.901 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.098 -9.335 3.505 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.776 -10.757 5.425 1.00 1.00 C ATOM 0 H THR A 86 -8.813 -12.823 4.550 1.00 1.00 H new ATOM 0 HA THR A 86 -8.643 -11.203 2.202 1.00 1.00 H new ATOM 0 HB THR A 86 -10.679 -11.310 3.554 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.941 -9.023 3.896 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.713 -10.410 5.860 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.595 -11.789 5.727 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.958 -10.128 5.776 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.141 -9.265 2.736 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.087 -8.277 2.956 1.00 1.00 C ATOM 1365 C ILE A 87 -6.657 -6.860 2.907 1.00 1.00 C ATOM 1366 O ILE A 87 -7.438 -6.525 2.013 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.001 -8.430 1.889 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.408 -9.845 1.952 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.900 -7.392 2.121 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.243 -9.890 2.944 1.00 1.00 C ATOM 0 H ILE A 87 -7.624 -9.176 1.842 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.656 -8.447 3.943 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.439 -8.271 0.904 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.178 -10.556 2.252 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.064 -10.147 0.963 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.128 -7.504 1.359 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.326 -6.390 2.062 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.461 -7.542 3.107 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.833 -10.899 2.978 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.467 -9.193 2.626 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.598 -9.609 3.935 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.261 -6.037 3.879 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.737 -4.657 3.950 1.00 1.00 C ATOM 1384 C GLY A 88 -5.594 -3.663 3.765 1.00 1.00 C ATOM 1385 O GLY A 88 -4.426 -4.046 3.709 1.00 1.00 O ATOM 0 H GLY A 88 -5.616 -6.301 4.623 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.493 -4.491 3.182 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.218 -4.486 4.913 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.945 -2.381 3.673 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.947 -1.327 3.499 1.00 1.00 C ATOM 1391 C VAL A 89 -5.205 -0.185 4.477 1.00 1.00 C ATOM 1392 O VAL A 89 -6.352 0.197 4.710 1.00 1.00 O ATOM 1393 CB VAL A 89 -4.997 -0.788 2.068 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.807 0.145 1.835 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -4.928 -1.950 1.079 1.00 1.00 C ATOM 0 H VAL A 89 -6.908 -2.048 3.716 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.962 -1.750 3.694 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.928 -0.240 1.921 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.841 0.530 0.816 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.853 0.976 2.539 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.878 -0.406 1.984 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.964 -1.563 0.060 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.998 -2.499 1.226 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -5.773 -2.618 1.243 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.133 0.356 5.045 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.257 1.455 5.995 1.00 1.00 C ATOM 1407 C ASP A 90 -3.096 2.431 5.837 1.00 1.00 C ATOM 1408 O ASP A 90 -2.039 2.074 5.315 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.287 0.914 7.426 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.328 -0.265 7.564 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.430 -1.182 6.766 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.507 -0.234 8.465 1.00 1.00 O ATOM 0 H ASP A 90 -3.175 0.054 4.866 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.189 1.982 5.792 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -4.009 1.702 8.126 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.299 0.601 7.683 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.297 3.664 6.289 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.259 4.684 6.189 1.00 1.00 C ATOM 1419 C PHE A 91 -1.159 4.430 7.215 1.00 1.00 C ATOM 1420 O PHE A 91 -1.281 3.547 8.065 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.869 6.064 6.428 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.514 6.563 5.155 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.720 6.859 4.040 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.903 6.728 5.091 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.316 7.324 2.862 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.498 7.192 3.911 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.704 7.489 2.796 1.00 1.00 C ATOM 0 H PHE A 91 -4.163 3.980 6.725 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.825 4.642 5.190 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.610 6.012 7.226 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.098 6.762 6.754 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.649 6.729 4.089 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.515 6.498 5.951 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.704 7.556 2.003 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.569 7.321 3.861 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.163 7.845 1.886 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.085 5.209 7.129 1.00 1.00 N ATOM 1438 CA ALA A 92 1.032 5.062 8.054 1.00 1.00 C ATOM 1439 C ALA A 92 0.528 4.817 9.473 1.00 1.00 C ATOM 1440 O ALA A 92 -0.571 5.242 9.832 1.00 1.00 O ATOM 1441 CB ALA A 92 1.900 6.322 8.030 1.00 1.00 C ATOM 0 H ALA A 92 0.035 5.944 6.432 1.00 1.00 H new ATOM 0 HA ALA A 92 1.627 4.204 7.740 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.732 6.204 8.724 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.287 6.478 7.023 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.300 7.183 8.326 1.00 1.00 H new