USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 11 SER OG : rot -82:sc= 0.141 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 14 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -170:sc= -1.9 USER MOD Single : A 25 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.752 (180deg=0.687) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -124:sc= -5.25! USER MOD Single : A 48 SER OG : rot 77:sc= 1.05 USER MOD Single : A 51 THR OG1 : rot 130:sc= -2.08! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -1.4! (180deg=-2.93!) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= 0.0301 (180deg=-1.35!) USER MOD Single : A 69 MET CE :methyl 169:sc= -6.81! (180deg=-8.21!) USER MOD Single : A 74 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.119 15.747 1.032 1.00 0.00 N ATOM 122 CA PRO A 9 -15.842 15.393 1.689 1.00 0.00 C ATOM 123 C PRO A 9 -16.068 15.035 3.167 1.00 0.00 C ATOM 124 O PRO A 9 -15.478 14.090 3.688 1.00 0.00 O ATOM 125 CB PRO A 9 -15.002 16.669 1.550 1.00 0.00 C ATOM 126 CG PRO A 9 -16.003 17.833 1.346 1.00 0.00 C ATOM 127 CD PRO A 9 -17.314 17.202 0.837 1.00 0.00 C ATOM 0 HA PRO A 9 -15.361 14.521 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.393 16.832 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.318 16.593 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.168 18.370 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.616 18.555 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.175 17.567 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.491 17.443 -0.211 1.00 0.00 H new ATOM 135 N ILE A 10 -16.916 15.768 3.848 1.00 0.00 N ATOM 136 CA ILE A 10 -17.194 15.474 5.294 1.00 0.00 C ATOM 137 C ILE A 10 -17.513 13.983 5.468 1.00 0.00 C ATOM 138 O ILE A 10 -17.047 13.341 6.410 1.00 0.00 O ATOM 139 CB ILE A 10 -18.385 16.319 5.769 1.00 0.00 C ATOM 140 CG1 ILE A 10 -18.023 17.804 5.694 1.00 0.00 C ATOM 141 CG2 ILE A 10 -18.727 15.965 7.218 1.00 0.00 C ATOM 142 CD1 ILE A 10 -19.272 18.612 5.346 1.00 0.00 C ATOM 0 H ILE A 10 -17.431 16.561 3.465 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.315 15.722 5.889 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.243 16.114 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.613 18.139 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.251 17.964 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.573 16.567 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.987 14.908 7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.866 16.167 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.017 19.670 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.662 18.283 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.030 18.460 6.115 1.00 0.00 H new ATOM 154 N SER A 11 -18.283 13.420 4.570 1.00 0.00 N ATOM 155 CA SER A 11 -18.622 11.966 4.665 1.00 0.00 C ATOM 156 C SER A 11 -17.329 11.148 4.744 1.00 0.00 C ATOM 157 O SER A 11 -17.080 10.452 5.728 1.00 0.00 O ATOM 158 CB SER A 11 -19.425 11.538 3.431 1.00 0.00 C ATOM 159 OG SER A 11 -19.458 12.611 2.487 1.00 0.00 O ATOM 0 H SER A 11 -18.693 13.906 3.773 1.00 0.00 H new ATOM 0 HA SER A 11 -19.221 11.792 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.973 10.655 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.439 11.264 3.721 1.00 0.00 H new ATOM 0 HG SER A 11 -20.162 13.246 2.737 1.00 0.00 H new ATOM 165 N GLN A 12 -16.495 11.231 3.737 1.00 0.00 N ATOM 166 CA GLN A 12 -15.211 10.467 3.761 1.00 0.00 C ATOM 167 C GLN A 12 -14.334 10.952 4.923 1.00 0.00 C ATOM 168 O GLN A 12 -13.618 10.166 5.535 1.00 0.00 O ATOM 169 CB GLN A 12 -14.474 10.645 2.430 1.00 0.00 C ATOM 170 CG GLN A 12 -14.633 9.366 1.596 1.00 0.00 C ATOM 171 CD GLN A 12 -14.350 9.654 0.121 1.00 0.00 C ATOM 172 OE1 GLN A 12 -13.770 10.678 -0.222 1.00 0.00 O ATOM 173 NE2 GLN A 12 -14.725 8.797 -0.778 1.00 0.00 N ATOM 0 H GLN A 12 -16.648 11.794 2.901 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.428 9.408 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.877 11.500 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.418 10.849 2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.950 8.599 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.644 8.973 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.208 7.943 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.537 8.977 -1.764 1.00 0.00 H new ATOM 182 N VAL A 13 -14.387 12.220 5.260 1.00 0.00 N ATOM 183 CA VAL A 13 -13.564 12.722 6.410 1.00 0.00 C ATOM 184 C VAL A 13 -13.933 11.915 7.660 1.00 0.00 C ATOM 185 O VAL A 13 -13.069 11.376 8.354 1.00 0.00 O ATOM 186 CB VAL A 13 -13.850 14.214 6.652 1.00 0.00 C ATOM 187 CG1 VAL A 13 -13.105 14.688 7.902 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.375 15.038 5.454 1.00 0.00 C ATOM 0 H VAL A 13 -14.959 12.924 4.794 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.504 12.604 6.186 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.923 14.347 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.311 15.745 8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.439 14.112 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.033 14.544 7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.581 16.093 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.303 14.896 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.902 14.713 4.557 1.00 0.00 H new ATOM 198 N HIS A 14 -15.204 11.791 7.943 1.00 0.00 N ATOM 199 CA HIS A 14 -15.635 10.987 9.121 1.00 0.00 C ATOM 200 C HIS A 14 -15.220 9.529 8.885 1.00 0.00 C ATOM 201 O HIS A 14 -14.738 8.842 9.787 1.00 0.00 O ATOM 202 CB HIS A 14 -17.158 11.077 9.261 1.00 0.00 C ATOM 203 CG HIS A 14 -17.523 12.358 9.955 1.00 0.00 C ATOM 204 ND1 HIS A 14 -18.110 12.376 11.208 1.00 0.00 N ATOM 205 CD2 HIS A 14 -17.389 13.672 9.584 1.00 0.00 C ATOM 206 CE1 HIS A 14 -18.306 13.666 11.545 1.00 0.00 C ATOM 207 NE2 HIS A 14 -17.883 14.496 10.589 1.00 0.00 N ATOM 0 H HIS A 14 -15.962 12.213 7.407 1.00 0.00 H new ATOM 0 HA HIS A 14 -15.171 11.363 10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -17.627 11.037 8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -17.533 10.225 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.964 14.015 8.652 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.751 13.989 12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.915 15.515 10.595 1.00 0.00 H new ATOM 215 N GLU A 15 -15.389 9.053 7.677 1.00 0.00 N ATOM 216 CA GLU A 15 -15.005 7.650 7.350 1.00 0.00 C ATOM 217 C GLU A 15 -13.516 7.422 7.645 1.00 0.00 C ATOM 218 O GLU A 15 -13.155 6.472 8.337 1.00 0.00 O ATOM 219 CB GLU A 15 -15.287 7.379 5.869 1.00 0.00 C ATOM 220 CG GLU A 15 -16.801 7.310 5.652 1.00 0.00 C ATOM 221 CD GLU A 15 -17.116 7.094 4.174 1.00 0.00 C ATOM 222 OE1 GLU A 15 -17.115 8.063 3.437 1.00 0.00 O ATOM 223 OE2 GLU A 15 -17.369 5.964 3.810 1.00 0.00 O ATOM 0 H GLU A 15 -15.780 9.583 6.898 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.591 6.967 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.854 8.168 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.820 6.443 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.223 6.497 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.267 8.232 5.999 1.00 0.00 H new ATOM 230 N ILE A 16 -12.645 8.266 7.146 1.00 0.00 N ATOM 231 CA ILE A 16 -11.186 8.080 7.411 1.00 0.00 C ATOM 232 C ILE A 16 -10.900 8.299 8.903 1.00 0.00 C ATOM 233 O ILE A 16 -10.100 7.583 9.499 1.00 0.00 O ATOM 234 CB ILE A 16 -10.371 9.064 6.558 1.00 0.00 C ATOM 235 CG1 ILE A 16 -10.749 10.509 6.899 1.00 0.00 C ATOM 236 CG2 ILE A 16 -10.651 8.811 5.075 1.00 0.00 C ATOM 237 CD1 ILE A 16 -9.868 11.473 6.104 1.00 0.00 C ATOM 0 H ILE A 16 -12.882 9.073 6.569 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.896 7.064 7.143 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.312 8.913 6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.799 10.685 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.625 10.685 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.072 9.510 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.367 7.790 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.713 8.953 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.139 12.500 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.822 11.304 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.014 11.304 5.037 1.00 0.00 H new ATOM 249 N GLY A 17 -11.549 9.256 9.525 1.00 0.00 N ATOM 250 CA GLY A 17 -11.321 9.492 10.988 1.00 0.00 C ATOM 251 C GLY A 17 -11.711 8.229 11.761 1.00 0.00 C ATOM 252 O GLY A 17 -10.929 7.694 12.543 1.00 0.00 O ATOM 0 H GLY A 17 -12.224 9.882 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.275 9.738 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.913 10.341 11.330 1.00 0.00 H new ATOM 256 N ILE A 18 -12.900 7.734 11.537 1.00 0.00 N ATOM 257 CA ILE A 18 -13.355 6.490 12.235 1.00 0.00 C ATOM 258 C ILE A 18 -12.497 5.298 11.775 1.00 0.00 C ATOM 259 O ILE A 18 -12.124 4.438 12.569 1.00 0.00 O ATOM 260 CB ILE A 18 -14.831 6.238 11.889 1.00 0.00 C ATOM 261 CG1 ILE A 18 -15.703 7.251 12.630 1.00 0.00 C ATOM 262 CG2 ILE A 18 -15.249 4.825 12.306 1.00 0.00 C ATOM 263 CD1 ILE A 18 -16.912 7.605 11.766 1.00 0.00 C ATOM 0 H ILE A 18 -13.582 8.140 10.896 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.247 6.607 13.313 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.959 6.343 10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -16.032 6.837 13.583 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.127 8.149 12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.297 4.666 12.053 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.634 4.094 11.781 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.114 4.708 13.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -17.536 8.328 12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -16.572 8.036 10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -17.491 6.704 11.564 1.00 0.00 H new ATOM 275 N LYS A 19 -12.178 5.233 10.507 1.00 0.00 N ATOM 276 CA LYS A 19 -11.347 4.099 9.987 1.00 0.00 C ATOM 277 C LYS A 19 -9.913 4.186 10.542 1.00 0.00 C ATOM 278 O LYS A 19 -9.275 3.168 10.804 1.00 0.00 O ATOM 279 CB LYS A 19 -11.323 4.160 8.452 1.00 0.00 C ATOM 280 CG LYS A 19 -12.342 3.166 7.874 1.00 0.00 C ATOM 281 CD LYS A 19 -13.750 3.486 8.404 1.00 0.00 C ATOM 282 CE LYS A 19 -14.636 3.994 7.263 1.00 0.00 C ATOM 283 NZ LYS A 19 -16.025 4.202 7.773 1.00 0.00 N ATOM 0 H LYS A 19 -12.457 5.918 9.805 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.782 3.153 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.556 5.170 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.324 3.925 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.334 3.217 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.064 2.148 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.191 2.594 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.689 4.238 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.238 4.928 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.641 3.276 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.630 4.547 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.402 3.301 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.011 4.902 8.542 1.00 0.00 H new ATOM 297 N ARG A 20 -9.394 5.374 10.728 1.00 0.00 N ATOM 298 CA ARG A 20 -8.004 5.515 11.269 1.00 0.00 C ATOM 299 C ARG A 20 -8.036 5.709 12.799 1.00 0.00 C ATOM 300 O ARG A 20 -7.036 6.098 13.404 1.00 0.00 O ATOM 301 CB ARG A 20 -7.331 6.730 10.618 1.00 0.00 C ATOM 302 CG ARG A 20 -6.528 6.280 9.395 1.00 0.00 C ATOM 303 CD ARG A 20 -6.095 7.507 8.592 1.00 0.00 C ATOM 304 NE ARG A 20 -4.883 7.160 7.786 1.00 0.00 N ATOM 305 CZ ARG A 20 -4.325 8.049 7.031 1.00 0.00 C ATOM 306 NH1 ARG A 20 -3.476 8.879 7.533 1.00 0.00 N ATOM 307 NH2 ARG A 20 -4.623 8.100 5.778 1.00 0.00 N ATOM 0 H ARG A 20 -9.871 6.253 10.529 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.443 4.608 11.042 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.084 7.460 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.674 7.222 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.653 5.711 9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.132 5.619 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.903 7.832 7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.876 8.338 9.263 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.495 6.218 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.245 8.834 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.036 9.580 6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.296 7.441 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.186 8.799 5.178 1.00 0.00 H new ATOM 321 N ASN A 21 -9.155 5.450 13.436 1.00 0.00 N ATOM 322 CA ASN A 21 -9.245 5.624 14.923 1.00 0.00 C ATOM 323 C ASN A 21 -8.864 7.067 15.309 1.00 0.00 C ATOM 324 O ASN A 21 -8.177 7.303 16.304 1.00 0.00 O ATOM 325 CB ASN A 21 -8.297 4.627 15.606 1.00 0.00 C ATOM 326 CG ASN A 21 -8.930 4.106 16.897 1.00 0.00 C ATOM 327 OD1 ASN A 21 -10.144 3.980 16.997 1.00 0.00 O ATOM 328 ND2 ASN A 21 -8.168 3.790 17.899 1.00 0.00 N ATOM 0 H ASN A 21 -10.012 5.125 12.989 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.267 5.435 15.251 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.084 3.796 14.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.345 5.110 15.827 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.581 3.439 18.763 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.156 3.893 17.822 1.00 0.00 H new ATOM 335 N MET A 22 -9.299 8.035 14.544 1.00 0.00 N ATOM 336 CA MET A 22 -8.967 9.458 14.859 1.00 0.00 C ATOM 337 C MET A 22 -10.237 10.212 15.278 1.00 0.00 C ATOM 338 O MET A 22 -11.271 10.143 14.615 1.00 0.00 O ATOM 339 CB MET A 22 -8.361 10.121 13.617 1.00 0.00 C ATOM 340 CG MET A 22 -6.841 9.938 13.627 1.00 0.00 C ATOM 341 SD MET A 22 -6.100 11.005 12.366 1.00 0.00 S ATOM 342 CE MET A 22 -4.452 11.119 13.106 1.00 0.00 C ATOM 0 H MET A 22 -9.872 7.901 13.711 1.00 0.00 H new ATOM 0 HA MET A 22 -8.250 9.489 15.679 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.784 9.681 12.714 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.610 11.182 13.601 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.440 10.185 14.610 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.588 8.896 13.432 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.815 11.744 12.481 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.529 11.560 14.100 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.018 10.122 13.184 1.00 0.00 H new ATOM 352 N THR A 23 -10.181 10.932 16.367 1.00 0.00 N ATOM 353 CA THR A 23 -11.384 11.693 16.836 1.00 0.00 C ATOM 354 C THR A 23 -11.727 12.806 15.839 1.00 0.00 C ATOM 355 O THR A 23 -10.865 13.578 15.422 1.00 0.00 O ATOM 356 CB THR A 23 -11.102 12.319 18.208 1.00 0.00 C ATOM 357 OG1 THR A 23 -9.943 11.720 18.775 1.00 0.00 O ATOM 358 CG2 THR A 23 -12.296 12.089 19.133 1.00 0.00 C ATOM 0 H THR A 23 -9.354 11.028 16.956 1.00 0.00 H new ATOM 0 HA THR A 23 -12.224 11.003 16.912 1.00 0.00 H new ATOM 0 HB THR A 23 -10.937 13.390 18.088 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.853 12.002 19.709 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.093 12.535 20.107 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.185 12.549 18.701 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.463 11.018 19.252 1.00 0.00 H new ATOM 366 N VAL A 24 -12.974 12.904 15.455 1.00 0.00 N ATOM 367 CA VAL A 24 -13.395 13.970 14.491 1.00 0.00 C ATOM 368 C VAL A 24 -14.628 14.691 15.055 1.00 0.00 C ATOM 369 O VAL A 24 -15.767 14.280 14.832 1.00 0.00 O ATOM 370 CB VAL A 24 -13.737 13.332 13.137 1.00 0.00 C ATOM 371 CG1 VAL A 24 -14.138 14.421 12.141 1.00 0.00 C ATOM 372 CG2 VAL A 24 -12.518 12.588 12.592 1.00 0.00 C ATOM 0 H VAL A 24 -13.724 12.289 15.769 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.585 14.686 14.351 1.00 0.00 H new ATOM 0 HB VAL A 24 -14.563 12.634 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.380 13.965 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.009 14.956 12.518 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.311 15.119 12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.766 12.137 11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.693 13.288 12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.224 11.807 13.294 1.00 0.00 H new ATOM 382 N HIS A 25 -14.429 15.747 15.797 1.00 0.00 N ATOM 383 CA HIS A 25 -15.593 16.476 16.391 1.00 0.00 C ATOM 384 C HIS A 25 -15.894 17.756 15.593 1.00 0.00 C ATOM 385 O HIS A 25 -15.247 18.787 15.773 1.00 0.00 O ATOM 386 CB HIS A 25 -15.272 16.837 17.846 1.00 0.00 C ATOM 387 CG HIS A 25 -15.232 15.586 18.682 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.343 14.779 18.858 1.00 0.00 N ATOM 389 CD2 HIS A 25 -14.223 14.993 19.398 1.00 0.00 C ATOM 390 CE1 HIS A 25 -15.978 13.754 19.652 1.00 0.00 C ATOM 391 NE2 HIS A 25 -14.696 13.837 20.009 1.00 0.00 N ATOM 0 H HIS A 25 -13.513 16.138 16.019 1.00 0.00 H new ATOM 0 HA HIS A 25 -16.471 15.832 16.354 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.313 17.353 17.900 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -16.025 17.522 18.235 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -17.269 14.933 18.459 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.213 15.368 19.475 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -16.643 12.961 19.962 1.00 0.00 H new ATOM 399 N PHE A 26 -16.871 17.710 14.725 1.00 0.00 N ATOM 400 CA PHE A 26 -17.236 18.921 13.917 1.00 0.00 C ATOM 401 C PHE A 26 -18.226 19.786 14.719 1.00 0.00 C ATOM 402 O PHE A 26 -19.406 19.451 14.832 1.00 0.00 O ATOM 403 CB PHE A 26 -17.903 18.472 12.608 1.00 0.00 C ATOM 404 CG PHE A 26 -16.879 18.389 11.500 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.860 17.433 11.555 1.00 0.00 C ATOM 406 CD2 PHE A 26 -16.956 19.267 10.411 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.919 17.352 10.523 1.00 0.00 C ATOM 408 CE2 PHE A 26 -16.014 19.187 9.379 1.00 0.00 C ATOM 409 CZ PHE A 26 -14.995 18.230 9.436 1.00 0.00 C ATOM 0 H PHE A 26 -17.437 16.883 14.537 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.339 19.499 13.694 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.377 17.501 12.748 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.690 19.174 12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.799 16.757 12.395 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.743 20.006 10.368 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.134 16.612 10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.074 19.864 8.539 1.00 0.00 H new ATOM 0 HZ PHE A 26 -14.267 18.169 8.641 1.00 0.00 H new ATOM 419 N LYS A 27 -17.779 20.881 15.286 1.00 0.00 N ATOM 420 CA LYS A 27 -18.715 21.735 16.087 1.00 0.00 C ATOM 421 C LYS A 27 -18.522 23.229 15.764 1.00 0.00 C ATOM 422 O LYS A 27 -17.418 23.699 15.499 1.00 0.00 O ATOM 423 CB LYS A 27 -18.447 21.497 17.578 1.00 0.00 C ATOM 424 CG LYS A 27 -19.687 21.872 18.397 1.00 0.00 C ATOM 425 CD LYS A 27 -19.254 22.607 19.670 1.00 0.00 C ATOM 426 CE LYS A 27 -20.446 23.363 20.264 1.00 0.00 C ATOM 427 NZ LYS A 27 -20.214 24.832 20.124 1.00 0.00 N ATOM 0 H LYS A 27 -16.818 21.218 15.231 1.00 0.00 H new ATOM 0 HA LYS A 27 -19.740 21.464 15.834 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.191 20.451 17.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -17.593 22.091 17.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -20.349 22.505 17.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -20.250 20.975 18.655 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -18.864 21.895 20.397 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -18.447 23.303 19.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -21.365 23.077 19.752 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -20.572 23.101 21.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -20.910 25.350 20.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -19.254 25.065 20.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -20.316 25.106 19.126 1.00 0.00 H new ATOM 441 N VAL A 28 -19.586 23.988 15.800 1.00 0.00 N ATOM 442 CA VAL A 28 -19.481 25.456 15.521 1.00 0.00 C ATOM 443 C VAL A 28 -19.528 26.219 16.856 1.00 0.00 C ATOM 444 O VAL A 28 -19.955 25.677 17.882 1.00 0.00 O ATOM 445 CB VAL A 28 -20.652 25.897 14.629 1.00 0.00 C ATOM 446 CG1 VAL A 28 -20.424 27.330 14.145 1.00 0.00 C ATOM 447 CG2 VAL A 28 -20.748 24.977 13.410 1.00 0.00 C ATOM 0 H VAL A 28 -20.527 23.656 16.011 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.544 25.670 15.007 1.00 0.00 H new ATOM 0 HB VAL A 28 -21.574 25.844 15.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -21.257 27.637 13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -20.354 27.997 15.004 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -19.498 27.378 13.573 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -21.580 25.293 12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -19.820 25.030 12.840 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -20.913 23.951 13.740 1.00 0.00 H new ATOM 457 N LEU A 29 -19.104 27.457 16.876 1.00 0.00 N ATOM 458 CA LEU A 29 -19.133 28.238 18.157 1.00 0.00 C ATOM 459 C LEU A 29 -20.359 29.162 18.165 1.00 0.00 C ATOM 460 O LEU A 29 -21.337 28.907 18.864 1.00 0.00 O ATOM 461 CB LEU A 29 -17.847 29.081 18.332 1.00 0.00 C ATOM 462 CG LEU A 29 -16.827 28.791 17.223 1.00 0.00 C ATOM 463 CD1 LEU A 29 -16.908 29.878 16.153 1.00 0.00 C ATOM 464 CD2 LEU A 29 -15.421 28.784 17.818 1.00 0.00 C ATOM 0 H LEU A 29 -18.740 27.961 16.067 1.00 0.00 H new ATOM 0 HA LEU A 29 -19.191 27.532 18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.102 30.141 18.325 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.400 28.867 19.303 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.047 27.821 16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.182 29.669 15.367 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.911 29.894 15.726 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.689 30.847 16.601 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.694 28.578 17.032 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.209 29.756 18.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.354 28.012 18.585 1.00 0.00 H new ATOM 476 N ARG A 30 -20.319 30.220 17.399 1.00 0.00 N ATOM 477 CA ARG A 30 -21.474 31.177 17.343 1.00 0.00 C ATOM 478 C ARG A 30 -21.228 32.211 16.241 1.00 0.00 C ATOM 479 O ARG A 30 -21.664 32.051 15.103 1.00 0.00 O ATOM 480 CB ARG A 30 -21.638 31.875 18.705 1.00 0.00 C ATOM 481 CG ARG A 30 -22.861 31.305 19.432 1.00 0.00 C ATOM 482 CD ARG A 30 -23.402 32.341 20.420 1.00 0.00 C ATOM 483 NE ARG A 30 -24.162 31.638 21.500 1.00 0.00 N ATOM 484 CZ ARG A 30 -24.917 32.307 22.309 1.00 0.00 C ATOM 485 NH1 ARG A 30 -24.413 32.823 23.377 1.00 0.00 N ATOM 486 NH2 ARG A 30 -26.170 32.452 22.044 1.00 0.00 N ATOM 0 H ARG A 30 -19.530 30.468 16.802 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.390 30.631 17.118 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.743 31.729 19.309 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -21.755 32.949 18.562 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -23.633 31.038 18.711 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -22.589 30.391 19.961 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -22.581 32.915 20.850 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.050 33.050 19.904 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.084 30.626 21.599 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -23.421 32.703 23.582 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.006 33.351 24.017 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.563 32.040 21.198 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.768 32.979 22.680 1.00 0.00 H new ATOM 631 N PHE A 40 -18.799 32.450 9.524 1.00 0.00 N ATOM 632 CA PHE A 40 -19.075 31.380 10.528 1.00 0.00 C ATOM 633 C PHE A 40 -17.843 30.484 10.704 1.00 0.00 C ATOM 634 O PHE A 40 -17.589 29.571 9.914 1.00 0.00 O ATOM 635 CB PHE A 40 -20.264 30.543 10.057 1.00 0.00 C ATOM 636 CG PHE A 40 -21.542 31.199 10.514 1.00 0.00 C ATOM 637 CD1 PHE A 40 -21.885 31.191 11.870 1.00 0.00 C ATOM 638 CD2 PHE A 40 -22.381 31.818 9.584 1.00 0.00 C ATOM 639 CE1 PHE A 40 -23.070 31.799 12.296 1.00 0.00 C ATOM 640 CE2 PHE A 40 -23.569 32.426 10.007 1.00 0.00 C ATOM 641 CZ PHE A 40 -23.912 32.418 11.365 1.00 0.00 C ATOM 0 HA PHE A 40 -19.308 31.840 11.488 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.255 30.455 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.195 29.532 10.460 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -21.234 30.715 12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -22.113 31.827 8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -23.335 31.791 13.343 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -24.220 32.900 9.287 1.00 0.00 H new ATOM 0 HZ PHE A 40 -24.826 32.890 11.694 1.00 0.00 H new ATOM 651 N ILE A 41 -17.073 30.724 11.730 1.00 0.00 N ATOM 652 CA ILE A 41 -15.855 29.891 11.972 1.00 0.00 C ATOM 653 C ILE A 41 -16.272 28.504 12.491 1.00 0.00 C ATOM 654 O ILE A 41 -16.880 28.370 13.553 1.00 0.00 O ATOM 655 CB ILE A 41 -14.958 30.589 13.003 1.00 0.00 C ATOM 656 CG1 ILE A 41 -14.480 31.932 12.442 1.00 0.00 C ATOM 657 CG2 ILE A 41 -13.738 29.717 13.306 1.00 0.00 C ATOM 658 CD1 ILE A 41 -15.215 33.076 13.141 1.00 0.00 C ATOM 0 H ILE A 41 -17.233 31.463 12.415 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.304 29.770 11.040 1.00 0.00 H new ATOM 0 HB ILE A 41 -15.529 30.750 13.917 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.405 32.035 12.588 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.662 31.973 11.368 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.105 30.218 14.039 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.067 28.758 13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.172 29.553 12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.871 34.029 12.738 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -16.287 32.976 12.972 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.011 33.039 14.211 1.00 0.00 H new ATOM 670 N THR A 42 -15.959 27.470 11.757 1.00 0.00 N ATOM 671 CA THR A 42 -16.329 26.086 12.199 1.00 0.00 C ATOM 672 C THR A 42 -15.129 25.449 12.909 1.00 0.00 C ATOM 673 O THR A 42 -14.017 25.440 12.385 1.00 0.00 O ATOM 674 CB THR A 42 -16.709 25.239 10.977 1.00 0.00 C ATOM 675 OG1 THR A 42 -17.806 25.838 10.299 1.00 0.00 O ATOM 676 CG2 THR A 42 -17.114 23.838 11.428 1.00 0.00 C ATOM 0 H THR A 42 -15.462 27.520 10.868 1.00 0.00 H new ATOM 0 HA THR A 42 -17.178 26.134 12.881 1.00 0.00 H new ATOM 0 HB THR A 42 -15.851 25.179 10.308 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.044 25.295 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.383 23.239 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 42 -16.279 23.368 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.969 23.905 12.101 1.00 0.00 H new ATOM 684 N ALA A 43 -15.324 24.921 14.088 1.00 0.00 N ATOM 685 CA ALA A 43 -14.185 24.299 14.829 1.00 0.00 C ATOM 686 C ALA A 43 -14.307 22.765 14.815 1.00 0.00 C ATOM 687 O ALA A 43 -15.198 22.184 15.437 1.00 0.00 O ATOM 688 CB ALA A 43 -14.198 24.809 16.272 1.00 0.00 C ATOM 0 H ALA A 43 -16.222 24.893 14.571 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.247 24.572 14.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.371 24.362 16.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.092 25.894 16.275 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.140 24.535 16.746 1.00 0.00 H new ATOM 694 N CYS A 44 -13.421 22.097 14.128 1.00 0.00 N ATOM 695 CA CYS A 44 -13.473 20.603 14.084 1.00 0.00 C ATOM 696 C CYS A 44 -12.322 20.036 14.924 1.00 0.00 C ATOM 697 O CYS A 44 -11.150 20.246 14.618 1.00 0.00 O ATOM 698 CB CYS A 44 -13.344 20.130 12.635 1.00 0.00 C ATOM 699 SG CYS A 44 -14.633 20.908 11.638 1.00 0.00 S ATOM 0 H CYS A 44 -12.662 22.519 13.594 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.423 20.253 14.488 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.360 20.386 12.243 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.434 19.045 12.585 1.00 0.00 H new ATOM 0 HG CYS A 44 -15.336 19.990 11.045 1.00 0.00 H new ATOM 705 N ILE A 45 -12.623 19.337 15.983 1.00 0.00 N ATOM 706 CA ILE A 45 -11.530 18.782 16.839 1.00 0.00 C ATOM 707 C ILE A 45 -11.024 17.446 16.272 1.00 0.00 C ATOM 708 O ILE A 45 -11.789 16.503 16.055 1.00 0.00 O ATOM 709 CB ILE A 45 -12.038 18.605 18.286 1.00 0.00 C ATOM 710 CG1 ILE A 45 -11.360 19.650 19.179 1.00 0.00 C ATOM 711 CG2 ILE A 45 -11.702 17.203 18.816 1.00 0.00 C ATOM 712 CD1 ILE A 45 -11.662 19.349 20.648 1.00 0.00 C ATOM 0 H ILE A 45 -13.571 19.125 16.294 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.695 19.482 16.844 1.00 0.00 H new ATOM 0 HB ILE A 45 -13.121 18.732 18.297 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.283 19.642 19.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.716 20.648 18.922 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.070 17.102 19.837 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.176 16.452 18.184 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.622 17.059 18.804 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.178 20.094 21.279 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.739 19.379 20.812 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.284 18.358 20.902 1.00 0.00 H new ATOM 724 N VAL A 46 -9.740 17.353 16.060 1.00 0.00 N ATOM 725 CA VAL A 46 -9.128 16.091 15.547 1.00 0.00 C ATOM 726 C VAL A 46 -8.572 15.319 16.750 1.00 0.00 C ATOM 727 O VAL A 46 -8.304 15.907 17.798 1.00 0.00 O ATOM 728 CB VAL A 46 -7.971 16.413 14.582 1.00 0.00 C ATOM 729 CG1 VAL A 46 -7.731 15.219 13.660 1.00 0.00 C ATOM 730 CG2 VAL A 46 -8.305 17.638 13.724 1.00 0.00 C ATOM 0 H VAL A 46 -9.077 18.111 16.223 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.877 15.505 15.014 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.079 16.623 15.172 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.913 15.446 12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.474 14.344 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.635 15.014 13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.474 17.848 13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.204 17.440 13.141 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.474 18.499 14.370 1.00 0.00 H new ATOM 740 N GLY A 47 -8.387 14.029 16.633 1.00 0.00 N ATOM 741 CA GLY A 47 -7.841 13.229 17.785 1.00 0.00 C ATOM 742 C GLY A 47 -6.419 13.692 18.131 1.00 0.00 C ATOM 743 O GLY A 47 -5.447 12.975 17.905 1.00 0.00 O ATOM 0 H GLY A 47 -8.589 13.489 15.791 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.489 13.342 18.654 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.833 12.169 17.529 1.00 0.00 H new ATOM 747 N SER A 48 -6.296 14.881 18.667 1.00 0.00 N ATOM 748 CA SER A 48 -4.956 15.450 19.042 1.00 0.00 C ATOM 749 C SER A 48 -5.095 16.963 19.269 1.00 0.00 C ATOM 750 O SER A 48 -4.551 17.517 20.220 1.00 0.00 O ATOM 751 CB SER A 48 -3.943 15.215 17.915 1.00 0.00 C ATOM 752 OG SER A 48 -3.279 13.976 18.129 1.00 0.00 O ATOM 0 H SER A 48 -7.084 15.498 18.866 1.00 0.00 H new ATOM 0 HA SER A 48 -4.607 14.958 19.950 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.451 15.207 16.950 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.218 16.029 17.887 1.00 0.00 H new ATOM 0 HG SER A 48 -3.871 13.239 17.870 1.00 0.00 H new ATOM 758 N ILE A 49 -5.825 17.636 18.410 1.00 0.00 N ATOM 759 CA ILE A 49 -6.020 19.120 18.553 1.00 0.00 C ATOM 760 C ILE A 49 -7.298 19.526 17.793 1.00 0.00 C ATOM 761 O ILE A 49 -8.207 18.721 17.620 1.00 0.00 O ATOM 762 CB ILE A 49 -4.811 19.888 17.969 1.00 0.00 C ATOM 763 CG1 ILE A 49 -3.564 18.998 17.918 1.00 0.00 C ATOM 764 CG2 ILE A 49 -4.510 21.101 18.851 1.00 0.00 C ATOM 765 CD1 ILE A 49 -2.448 19.728 17.170 1.00 0.00 C ATOM 0 H ILE A 49 -6.299 17.219 17.609 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.110 19.369 19.610 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.063 20.201 16.956 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.238 18.751 18.929 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.796 18.057 17.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.658 21.645 18.443 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.380 21.756 18.878 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.276 20.767 19.862 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.561 19.096 17.133 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.776 19.952 16.155 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.210 20.657 17.688 1.00 0.00 H new ATOM 777 N VAL A 50 -7.393 20.746 17.323 1.00 0.00 N ATOM 778 CA VAL A 50 -8.619 21.158 16.566 1.00 0.00 C ATOM 779 C VAL A 50 -8.233 21.975 15.332 1.00 0.00 C ATOM 780 O VAL A 50 -7.224 22.677 15.305 1.00 0.00 O ATOM 781 CB VAL A 50 -9.562 21.979 17.463 1.00 0.00 C ATOM 782 CG1 VAL A 50 -8.763 22.925 18.356 1.00 0.00 C ATOM 783 CG2 VAL A 50 -10.529 22.809 16.611 1.00 0.00 C ATOM 0 H VAL A 50 -6.682 21.470 17.429 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.140 20.256 16.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.125 21.279 18.080 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.446 23.497 18.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.089 22.347 18.988 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.182 23.608 17.735 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.188 23.383 17.263 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.962 23.491 15.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.126 22.144 15.986 1.00 0.00 H new ATOM 793 N THR A 51 -9.042 21.894 14.319 1.00 0.00 N ATOM 794 CA THR A 51 -8.784 22.655 13.056 1.00 0.00 C ATOM 795 C THR A 51 -9.937 23.635 12.828 1.00 0.00 C ATOM 796 O THR A 51 -11.093 23.233 12.668 1.00 0.00 O ATOM 797 CB THR A 51 -8.702 21.683 11.873 1.00 0.00 C ATOM 798 OG1 THR A 51 -9.731 20.712 11.987 1.00 0.00 O ATOM 799 CG2 THR A 51 -7.349 20.980 11.877 1.00 0.00 C ATOM 0 H THR A 51 -9.888 21.324 14.306 1.00 0.00 H new ATOM 0 HA THR A 51 -7.842 23.197 13.139 1.00 0.00 H new ATOM 0 HB THR A 51 -8.821 22.239 10.943 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.218 20.650 11.139 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.295 20.290 11.035 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.554 21.721 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.230 20.426 12.808 1.00 0.00 H new ATOM 807 N GLU A 52 -9.655 24.908 12.827 1.00 0.00 N ATOM 808 CA GLU A 52 -10.737 25.921 12.630 1.00 0.00 C ATOM 809 C GLU A 52 -10.943 26.204 11.132 1.00 0.00 C ATOM 810 O GLU A 52 -9.993 26.256 10.348 1.00 0.00 O ATOM 811 CB GLU A 52 -10.353 27.216 13.351 1.00 0.00 C ATOM 812 CG GLU A 52 -10.418 26.998 14.869 1.00 0.00 C ATOM 813 CD GLU A 52 -10.976 28.247 15.552 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.192 29.123 15.871 1.00 0.00 O ATOM 815 OE2 GLU A 52 -12.178 28.300 15.746 1.00 0.00 O ATOM 0 H GLU A 52 -8.720 25.295 12.954 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.668 25.531 13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.348 27.522 13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.028 28.021 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.048 26.138 15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.424 26.775 15.256 1.00 0.00 H new ATOM 822 N GLY A 53 -12.171 26.389 10.723 1.00 0.00 N ATOM 823 CA GLY A 53 -12.464 26.675 9.281 1.00 0.00 C ATOM 824 C GLY A 53 -13.383 27.895 9.175 1.00 0.00 C ATOM 825 O GLY A 53 -14.592 27.797 9.384 1.00 0.00 O ATOM 0 H GLY A 53 -12.991 26.355 11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.535 26.859 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.937 25.809 8.817 1.00 0.00 H new ATOM 829 N GLU A 54 -12.836 29.040 8.863 1.00 0.00 N ATOM 830 CA GLU A 54 -13.671 30.278 8.750 1.00 0.00 C ATOM 831 C GLU A 54 -14.539 30.225 7.480 1.00 0.00 C ATOM 832 O GLU A 54 -14.226 30.839 6.459 1.00 0.00 O ATOM 833 CB GLU A 54 -12.749 31.501 8.700 1.00 0.00 C ATOM 834 CG GLU A 54 -12.010 31.644 10.038 1.00 0.00 C ATOM 835 CD GLU A 54 -11.679 33.114 10.291 1.00 0.00 C ATOM 836 OE1 GLU A 54 -12.578 33.846 10.668 1.00 0.00 O ATOM 837 OE2 GLU A 54 -10.532 33.480 10.106 1.00 0.00 O ATOM 0 H GLU A 54 -11.842 29.174 8.680 1.00 0.00 H new ATOM 0 HA GLU A 54 -14.330 30.348 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.032 31.395 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.331 32.400 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.627 31.256 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.094 31.053 10.023 1.00 0.00 H new ATOM 844 N GLY A 55 -15.627 29.500 7.522 1.00 0.00 N ATOM 845 CA GLY A 55 -16.521 29.408 6.321 1.00 0.00 C ATOM 846 C GLY A 55 -17.476 30.612 6.278 1.00 0.00 C ATOM 847 O GLY A 55 -17.782 31.228 7.300 1.00 0.00 O ATOM 0 H GLY A 55 -15.938 28.967 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.920 29.378 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.094 28.481 6.355 1.00 0.00 H new ATOM 943 N LYS A 62 -18.810 23.882 7.264 1.00 0.00 N ATOM 944 CA LYS A 62 -18.286 22.518 7.588 1.00 0.00 C ATOM 945 C LYS A 62 -17.272 22.107 6.506 1.00 0.00 C ATOM 946 O LYS A 62 -16.275 21.444 6.782 1.00 0.00 O ATOM 947 CB LYS A 62 -19.448 21.515 7.622 1.00 0.00 C ATOM 948 CG LYS A 62 -20.166 21.600 8.975 1.00 0.00 C ATOM 949 CD LYS A 62 -21.536 20.910 8.875 1.00 0.00 C ATOM 950 CE LYS A 62 -21.630 19.779 9.903 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.973 19.125 9.800 1.00 0.00 N ATOM 0 HA LYS A 62 -17.799 22.528 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -20.148 21.728 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.073 20.504 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.563 21.124 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.293 22.643 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -22.331 21.636 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.679 20.512 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.842 19.047 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.481 20.173 10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.039 18.356 10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -23.717 19.828 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.097 18.736 8.843 1.00 0.00 H new ATOM 965 N LYS A 63 -17.505 22.514 5.280 1.00 0.00 N ATOM 966 CA LYS A 63 -16.558 22.180 4.174 1.00 0.00 C ATOM 967 C LYS A 63 -15.206 22.864 4.431 1.00 0.00 C ATOM 968 O LYS A 63 -14.155 22.239 4.334 1.00 0.00 O ATOM 969 CB LYS A 63 -17.146 22.670 2.846 1.00 0.00 C ATOM 970 CG LYS A 63 -16.590 21.830 1.692 1.00 0.00 C ATOM 971 CD LYS A 63 -16.008 22.760 0.623 1.00 0.00 C ATOM 972 CE LYS A 63 -14.481 22.755 0.712 1.00 0.00 C ATOM 973 NZ LYS A 63 -13.931 23.833 -0.161 1.00 0.00 N ATOM 0 H LYS A 63 -18.315 23.066 4.999 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.408 21.101 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.233 22.597 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.900 23.721 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.820 21.152 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.379 21.213 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.325 22.435 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.387 23.772 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.165 22.910 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.091 21.786 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.943 23.614 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.495 23.895 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.971 24.742 0.343 1.00 0.00 H new ATOM 987 N ARG A 64 -15.218 24.132 4.774 1.00 0.00 N ATOM 988 CA ARG A 64 -13.934 24.852 5.057 1.00 0.00 C ATOM 989 C ARG A 64 -13.253 24.202 6.268 1.00 0.00 C ATOM 990 O ARG A 64 -12.049 23.935 6.261 1.00 0.00 O ATOM 991 CB ARG A 64 -14.224 26.329 5.355 1.00 0.00 C ATOM 992 CG ARG A 64 -13.006 27.173 4.974 1.00 0.00 C ATOM 993 CD ARG A 64 -13.140 27.646 3.526 1.00 0.00 C ATOM 994 NE ARG A 64 -11.871 28.325 3.120 1.00 0.00 N ATOM 995 CZ ARG A 64 -11.347 28.102 1.959 1.00 0.00 C ATOM 996 NH1 ARG A 64 -11.055 26.898 1.602 1.00 0.00 N ATOM 997 NH2 ARG A 64 -11.126 29.088 1.158 1.00 0.00 N ATOM 0 H ARG A 64 -16.061 24.699 4.870 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.277 24.788 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.099 26.659 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.454 26.460 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.923 28.031 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.094 26.588 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.341 26.799 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.982 28.331 3.429 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.414 28.970 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.237 26.120 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.642 26.724 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.364 30.038 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.713 28.918 0.241 1.00 0.00 H new ATOM 1011 N ALA A 65 -14.009 23.920 7.298 1.00 0.00 N ATOM 1012 CA ALA A 65 -13.423 23.260 8.499 1.00 0.00 C ATOM 1013 C ALA A 65 -12.833 21.905 8.070 1.00 0.00 C ATOM 1014 O ALA A 65 -11.709 21.550 8.432 1.00 0.00 O ATOM 1015 CB ALA A 65 -14.523 23.053 9.542 1.00 0.00 C ATOM 0 H ALA A 65 -15.008 24.119 7.357 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.637 23.878 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.102 22.570 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.944 24.018 9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.307 22.423 9.123 1.00 0.00 H new ATOM 1021 N ALA A 66 -13.567 21.156 7.279 1.00 0.00 N ATOM 1022 CA ALA A 66 -13.059 19.838 6.788 1.00 0.00 C ATOM 1023 C ALA A 66 -11.791 20.057 5.945 1.00 0.00 C ATOM 1024 O ALA A 66 -10.837 19.281 6.021 1.00 0.00 O ATOM 1025 CB ALA A 66 -14.137 19.170 5.926 1.00 0.00 C ATOM 0 H ALA A 66 -14.501 21.405 6.952 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.821 19.199 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.771 18.209 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.036 19.015 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.372 19.810 5.076 1.00 0.00 H new ATOM 1031 N GLU A 67 -11.763 21.103 5.147 1.00 0.00 N ATOM 1032 CA GLU A 67 -10.559 21.383 4.302 1.00 0.00 C ATOM 1033 C GLU A 67 -9.309 21.448 5.188 1.00 0.00 C ATOM 1034 O GLU A 67 -8.251 20.926 4.837 1.00 0.00 O ATOM 1035 CB GLU A 67 -10.744 22.716 3.565 1.00 0.00 C ATOM 1036 CG GLU A 67 -11.542 22.481 2.277 1.00 0.00 C ATOM 1037 CD GLU A 67 -11.809 23.808 1.566 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -12.469 24.657 2.145 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -11.386 23.948 0.433 1.00 0.00 O ATOM 0 H GLU A 67 -12.525 21.774 5.046 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.438 20.583 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.266 23.428 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.773 23.152 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.990 21.812 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.487 21.990 2.511 1.00 0.00 H new ATOM 1046 N LYS A 68 -9.414 22.061 6.340 1.00 0.00 N ATOM 1047 CA LYS A 68 -8.234 22.135 7.261 1.00 0.00 C ATOM 1048 C LYS A 68 -7.906 20.725 7.765 1.00 0.00 C ATOM 1049 O LYS A 68 -6.801 20.223 7.584 1.00 0.00 O ATOM 1050 CB LYS A 68 -8.563 23.035 8.458 1.00 0.00 C ATOM 1051 CG LYS A 68 -8.366 24.503 8.075 1.00 0.00 C ATOM 1052 CD LYS A 68 -7.023 25.006 8.623 1.00 0.00 C ATOM 1053 CE LYS A 68 -6.169 25.551 7.474 1.00 0.00 C ATOM 1054 NZ LYS A 68 -5.444 24.428 6.805 1.00 0.00 N ATOM 0 H LYS A 68 -10.262 22.513 6.684 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.380 22.549 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.592 22.868 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.922 22.781 9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.391 24.612 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.181 25.106 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.191 25.786 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.498 24.194 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.801 26.069 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.455 26.282 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.569 24.788 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.209 23.699 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.049 24.015 6.067 1.00 0.00 H new ATOM 1068 N MET A 69 -8.857 20.078 8.383 1.00 0.00 N ATOM 1069 CA MET A 69 -8.629 18.693 8.900 1.00 0.00 C ATOM 1070 C MET A 69 -7.999 17.807 7.807 1.00 0.00 C ATOM 1071 O MET A 69 -6.996 17.133 8.034 1.00 0.00 O ATOM 1072 CB MET A 69 -9.976 18.099 9.326 1.00 0.00 C ATOM 1073 CG MET A 69 -9.976 17.841 10.834 1.00 0.00 C ATOM 1074 SD MET A 69 -11.638 17.351 11.354 1.00 0.00 S ATOM 1075 CE MET A 69 -11.317 17.289 13.133 1.00 0.00 C ATOM 0 H MET A 69 -9.791 20.451 8.554 1.00 0.00 H new ATOM 0 HA MET A 69 -7.948 18.733 9.750 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.784 18.783 9.065 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.160 17.169 8.789 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.259 17.058 11.081 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.665 18.738 11.369 1.00 0.00 H new ATOM 0 HE1 MET A 69 -12.261 17.194 13.670 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.683 16.431 13.359 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.813 18.204 13.444 1.00 0.00 H new ATOM 1085 N LEU A 70 -8.577 17.786 6.634 1.00 0.00 N ATOM 1086 CA LEU A 70 -8.034 16.935 5.528 1.00 0.00 C ATOM 1087 C LEU A 70 -6.639 17.414 5.080 1.00 0.00 C ATOM 1088 O LEU A 70 -5.714 16.613 4.942 1.00 0.00 O ATOM 1089 CB LEU A 70 -9.003 16.998 4.341 1.00 0.00 C ATOM 1090 CG LEU A 70 -10.036 15.860 4.404 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -9.608 14.738 3.464 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -10.152 15.296 5.824 1.00 0.00 C ATOM 0 H LEU A 70 -9.408 18.325 6.391 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.934 15.912 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.517 17.959 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.443 16.933 3.408 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.004 16.262 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.338 13.930 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.548 15.120 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.631 14.361 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.889 14.493 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.185 14.906 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.464 16.087 6.505 1.00 0.00 H new ATOM 1104 N VAL A 71 -6.465 18.687 4.831 1.00 0.00 N ATOM 1105 CA VAL A 71 -5.123 19.178 4.373 1.00 0.00 C ATOM 1106 C VAL A 71 -4.071 18.989 5.479 1.00 0.00 C ATOM 1107 O VAL A 71 -2.924 18.637 5.201 1.00 0.00 O ATOM 1108 CB VAL A 71 -5.224 20.660 3.969 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -5.331 21.544 5.209 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -3.981 21.065 3.176 1.00 0.00 C ATOM 0 H VAL A 71 -7.184 19.404 4.923 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.809 18.595 3.507 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.116 20.791 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.402 22.589 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.221 21.270 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.447 21.406 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.057 22.115 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.093 20.919 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.906 20.451 2.279 1.00 0.00 H new ATOM 1120 N GLU A 72 -4.430 19.207 6.718 1.00 0.00 N ATOM 1121 CA GLU A 72 -3.444 19.034 7.826 1.00 0.00 C ATOM 1122 C GLU A 72 -3.111 17.545 8.000 1.00 0.00 C ATOM 1123 O GLU A 72 -1.952 17.142 7.937 1.00 0.00 O ATOM 1124 CB GLU A 72 -4.036 19.595 9.126 1.00 0.00 C ATOM 1125 CG GLU A 72 -3.463 20.997 9.377 1.00 0.00 C ATOM 1126 CD GLU A 72 -4.505 22.059 9.050 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -5.368 22.306 9.870 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -4.414 22.626 7.981 1.00 0.00 O ATOM 0 H GLU A 72 -5.363 19.497 7.010 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.528 19.573 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.123 19.640 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.798 18.937 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.153 21.090 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.574 21.149 8.765 1.00 0.00 H new ATOM 1135 N LEU A 73 -4.102 16.716 8.207 1.00 0.00 N ATOM 1136 CA LEU A 73 -3.835 15.250 8.382 1.00 0.00 C ATOM 1137 C LEU A 73 -3.120 14.680 7.148 1.00 0.00 C ATOM 1138 O LEU A 73 -2.439 13.659 7.241 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.157 14.505 8.611 1.00 0.00 C ATOM 1140 CG LEU A 73 -5.887 15.091 9.824 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -7.325 14.580 9.851 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -5.181 14.659 11.103 1.00 0.00 C ATOM 0 H LEU A 73 -5.084 16.987 8.263 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.189 15.114 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.786 14.584 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.963 13.444 8.771 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.885 16.179 9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.843 14.997 10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.837 14.885 8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.323 13.492 9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.702 15.077 11.965 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.183 13.571 11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.152 15.020 11.091 1.00 0.00 H new ATOM 1154 N GLN A 74 -3.227 15.320 6.003 1.00 0.00 N ATOM 1155 CA GLN A 74 -2.497 14.805 4.802 1.00 0.00 C ATOM 1156 C GLN A 74 -1.012 14.699 5.185 1.00 0.00 C ATOM 1157 O GLN A 74 -0.308 13.769 4.792 1.00 0.00 O ATOM 1158 CB GLN A 74 -2.721 15.766 3.607 1.00 0.00 C ATOM 1159 CG GLN A 74 -1.416 16.479 3.189 1.00 0.00 C ATOM 1160 CD GLN A 74 -0.834 15.827 1.932 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -0.136 14.825 2.006 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -1.067 16.357 0.770 1.00 0.00 N ATOM 0 H GLN A 74 -3.780 16.164 5.852 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.862 13.825 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.116 15.206 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.471 16.510 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.614 17.534 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.691 16.431 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.648 17.192 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.669 15.938 -0.071 1.00 0.00 H new ATOM 1171 N LYS A 75 -0.549 15.627 5.990 1.00 0.00 N ATOM 1172 CA LYS A 75 0.859 15.601 6.466 1.00 0.00 C ATOM 1173 C LYS A 75 0.971 16.381 7.779 1.00 0.00 C ATOM 1174 O LYS A 75 1.241 17.582 7.792 1.00 0.00 O ATOM 1175 CB LYS A 75 1.788 16.245 5.459 1.00 0.00 C ATOM 1176 CG LYS A 75 2.105 15.264 4.330 1.00 0.00 C ATOM 1177 CD LYS A 75 3.125 15.893 3.378 1.00 0.00 C ATOM 1178 CE LYS A 75 3.631 14.832 2.402 1.00 0.00 C ATOM 1179 NZ LYS A 75 4.838 15.356 1.695 1.00 0.00 N ATOM 0 H LYS A 75 -1.101 16.411 6.339 1.00 0.00 H new ATOM 0 HA LYS A 75 1.144 14.558 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.326 17.144 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.710 16.555 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.500 14.335 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.194 15.010 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.668 16.717 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.958 16.309 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.877 13.915 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.852 14.581 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.188 14.639 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.587 16.220 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.580 15.574 2.390 1.00 0.00 H new ATOM 1193 N LEU A 76 0.771 15.710 8.864 1.00 0.00 N ATOM 1194 CA LEU A 76 0.863 16.361 10.204 1.00 0.00 C ATOM 1195 C LEU A 76 2.341 16.520 10.612 1.00 0.00 C ATOM 1196 O LEU A 76 3.095 15.565 10.461 1.00 0.00 O ATOM 1197 CB LEU A 76 0.149 15.483 11.233 1.00 0.00 C ATOM 1198 CG LEU A 76 -1.353 15.466 10.954 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -1.906 14.075 11.255 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -2.047 16.491 11.850 1.00 0.00 C ATOM 1201 OXT LEU A 76 2.691 17.592 11.081 1.00 0.00 O ATOM 0 H LEU A 76 0.542 14.716 8.889 1.00 0.00 H new ATOM 0 HA LEU A 76 0.396 17.345 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.546 14.468 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.336 15.861 12.238 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.534 15.714 9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.978 14.059 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.409 13.341 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.727 13.831 12.302 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.119 16.480 11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.868 16.240 12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.650 17.484 11.642 1.00 0.00 H new