USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 814 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 90 SER OG : rot -110:sc= 0.165 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.175 X(o=0.34,f=0.14) USER MOD Set 2.1: A 33 SER OG : rot -120:sc= 0.691 USER MOD Set 2.2: A 39 TYR OH : rot 130:sc= 0.669 USER MOD Single : A 17 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.5) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -4.83! (180deg=-6.8!) USER MOD Single : A 21 THR OG1 : rot 102:sc= 0.878 USER MOD Single : A 26 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.044) USER MOD Single : A 43 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-1.6) USER MOD Single : A 44 HIS : no HE2:sc= -0.588 K(o=-0.59,f=-2.9!) USER MOD Single : A 52 LYS NZ :NH3+ -106:sc= -0.63 (180deg=-1.54!) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= -0.197 (180deg=-1.04) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= -0.237 (180deg=-0.778) USER MOD Single : A 63 MET CE :methyl -179:sc= 0 (180deg=-0.00212) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= -0.178 (180deg=-0.74) USER MOD Single : A 83 CYS SG : rot 104:sc= 0.0345 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -2.46! K(o=-2.5!,f=-0.16) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= -0.0512 (180deg=-0.426) USER MOD Single : A 103 LYS NZ :NH3+ -148:sc= -0.0777 (180deg=-0.584) USER MOD Single : A 106 ASN : amide:sc= 0.024 X(o=0.024,f=-0.29) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -1.12 (180deg=-1.79!) USER MOD Single : A 115 TYR OH : rot -120:sc= -0.451 USER MOD Single : A 120 THR OG1 : rot -166:sc= -0.0687 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.672 11.799 1.056 1.00 0.00 N ATOM 157 CA GLU A 11 -10.014 12.674 2.067 1.00 0.00 C ATOM 158 C GLU A 11 -8.945 11.873 2.811 1.00 0.00 C ATOM 159 O GLU A 11 -7.836 12.330 3.008 1.00 0.00 O ATOM 160 CB GLU A 11 -11.060 13.179 3.062 1.00 0.00 C ATOM 161 CG GLU A 11 -12.189 13.880 2.302 1.00 0.00 C ATOM 162 CD GLU A 11 -11.953 15.391 2.316 1.00 0.00 C ATOM 163 OE1 GLU A 11 -11.779 15.934 3.395 1.00 0.00 O ATOM 164 OE2 GLU A 11 -11.950 15.980 1.248 1.00 0.00 O ATOM 0 HA GLU A 11 -9.550 13.524 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.459 12.346 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.601 13.869 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.230 13.517 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.150 13.647 2.761 1.00 0.00 H new ATOM 171 N GLU A 12 -9.267 10.677 3.224 1.00 0.00 N ATOM 172 CA GLU A 12 -8.268 9.845 3.951 1.00 0.00 C ATOM 173 C GLU A 12 -7.242 9.299 2.955 1.00 0.00 C ATOM 174 O GLU A 12 -6.058 9.542 3.072 1.00 0.00 O ATOM 175 CB GLU A 12 -8.980 8.680 4.640 1.00 0.00 C ATOM 176 CG GLU A 12 -10.414 9.088 4.981 1.00 0.00 C ATOM 177 CD GLU A 12 -10.880 8.328 6.224 1.00 0.00 C ATOM 178 OE1 GLU A 12 -10.558 8.763 7.316 1.00 0.00 O ATOM 179 OE2 GLU A 12 -11.553 7.323 6.060 1.00 0.00 O ATOM 0 H GLU A 12 -10.179 10.241 3.089 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.761 10.454 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.984 7.806 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.445 8.398 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.465 10.162 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.074 8.872 4.141 1.00 0.00 H new ATOM 186 N LEU A 13 -7.688 8.563 1.972 1.00 0.00 N ATOM 187 CA LEU A 13 -6.738 8.005 0.970 1.00 0.00 C ATOM 188 C LEU A 13 -5.755 9.097 0.543 1.00 0.00 C ATOM 189 O LEU A 13 -4.574 8.855 0.382 1.00 0.00 O ATOM 190 CB LEU A 13 -7.515 7.512 -0.253 1.00 0.00 C ATOM 191 CG LEU A 13 -8.748 6.732 0.205 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.438 6.108 -1.010 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.319 5.623 1.170 1.00 0.00 C ATOM 0 H LEU A 13 -8.668 8.325 1.821 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.191 7.172 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.816 8.358 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.879 6.877 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.439 7.408 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.317 5.552 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.742 6.895 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.747 5.432 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.197 5.066 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.629 4.948 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.826 6.065 2.036 1.00 0.00 H new ATOM 205 N ILE A 14 -6.231 10.298 0.358 1.00 0.00 N ATOM 206 CA ILE A 14 -5.323 11.404 -0.056 1.00 0.00 C ATOM 207 C ILE A 14 -4.305 11.666 1.055 1.00 0.00 C ATOM 208 O ILE A 14 -3.131 11.401 0.908 1.00 0.00 O ATOM 209 CB ILE A 14 -6.143 12.671 -0.307 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.853 12.558 -1.659 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.216 13.886 -0.322 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.903 13.665 -1.779 1.00 0.00 C ATOM 0 H ILE A 14 -7.210 10.561 0.476 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.801 11.124 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.882 12.787 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.129 12.640 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.327 11.581 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.801 14.788 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.708 13.968 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.477 13.770 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.408 13.584 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.633 13.563 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.416 14.638 -1.705 1.00 0.00 H new ATOM 224 N GLU A 15 -4.748 12.185 2.168 1.00 0.00 N ATOM 225 CA GLU A 15 -3.805 12.463 3.289 1.00 0.00 C ATOM 226 C GLU A 15 -2.732 11.374 3.332 1.00 0.00 C ATOM 227 O GLU A 15 -1.564 11.647 3.527 1.00 0.00 O ATOM 228 CB GLU A 15 -4.572 12.475 4.612 1.00 0.00 C ATOM 229 CG GLU A 15 -5.337 13.794 4.748 1.00 0.00 C ATOM 230 CD GLU A 15 -4.617 14.700 5.750 1.00 0.00 C ATOM 231 OE1 GLU A 15 -3.397 14.704 5.746 1.00 0.00 O ATOM 232 OE2 GLU A 15 -5.300 15.375 6.504 1.00 0.00 O ATOM 0 H GLU A 15 -5.722 12.428 2.349 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.334 13.434 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.265 11.635 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.881 12.356 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.406 14.288 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.357 13.603 5.082 1.00 0.00 H new ATOM 239 N ILE A 16 -3.117 10.139 3.154 1.00 0.00 N ATOM 240 CA ILE A 16 -2.117 9.036 3.187 1.00 0.00 C ATOM 241 C ILE A 16 -1.186 9.160 1.979 1.00 0.00 C ATOM 242 O ILE A 16 0.007 9.347 2.119 1.00 0.00 O ATOM 243 CB ILE A 16 -2.841 7.690 3.141 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.704 7.534 4.396 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.812 6.559 3.089 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.876 6.596 4.098 1.00 0.00 C ATOM 0 H ILE A 16 -4.080 9.847 2.987 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.532 9.100 4.105 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.474 7.647 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.105 7.135 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.076 8.507 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.328 5.599 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.194 6.670 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.180 6.601 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.490 6.485 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.480 7.013 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.494 5.620 3.797 1.00 0.00 H new ATOM 258 N GLN A 17 -1.719 9.062 0.791 1.00 0.00 N ATOM 259 CA GLN A 17 -0.861 9.180 -0.421 1.00 0.00 C ATOM 260 C GLN A 17 0.069 10.383 -0.263 1.00 0.00 C ATOM 261 O GLN A 17 1.214 10.354 -0.670 1.00 0.00 O ATOM 262 CB GLN A 17 -1.743 9.373 -1.657 1.00 0.00 C ATOM 263 CG GLN A 17 -2.527 8.087 -1.930 1.00 0.00 C ATOM 264 CD GLN A 17 -1.551 6.931 -2.150 1.00 0.00 C ATOM 265 OE1 GLN A 17 -1.600 5.938 -1.452 1.00 0.00 O ATOM 266 NE2 GLN A 17 -0.660 7.018 -3.100 1.00 0.00 N ATOM 0 H GLN A 17 -2.710 8.906 0.608 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.269 8.273 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.430 10.204 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.128 9.627 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.186 7.865 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.160 8.214 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.619 7.852 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.005 6.252 -3.256 1.00 0.00 H new ATOM 275 N LYS A 18 -0.411 11.441 0.331 1.00 0.00 N ATOM 276 CA LYS A 18 0.446 12.643 0.524 1.00 0.00 C ATOM 277 C LYS A 18 1.649 12.264 1.387 1.00 0.00 C ATOM 278 O LYS A 18 2.782 12.316 0.951 1.00 0.00 O ATOM 279 CB LYS A 18 -0.359 13.737 1.230 1.00 0.00 C ATOM 280 CG LYS A 18 -0.982 14.669 0.190 1.00 0.00 C ATOM 281 CD LYS A 18 -1.561 15.900 0.891 1.00 0.00 C ATOM 282 CE LYS A 18 -2.358 16.734 -0.113 1.00 0.00 C ATOM 283 NZ LYS A 18 -3.209 15.834 -0.943 1.00 0.00 N ATOM 0 H LYS A 18 -1.362 11.524 0.691 1.00 0.00 H new ATOM 0 HA LYS A 18 0.786 13.011 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.139 13.289 1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.288 14.304 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.231 14.972 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.766 14.147 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.204 15.593 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.757 16.499 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.981 17.458 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.680 17.301 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.092 16.324 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.698 15.577 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.431 14.972 -0.405 1.00 0.00 H new ATOM 297 N GLU A 19 1.409 11.877 2.610 1.00 0.00 N ATOM 298 CA GLU A 19 2.534 11.489 3.505 1.00 0.00 C ATOM 299 C GLU A 19 3.441 10.498 2.773 1.00 0.00 C ATOM 300 O GLU A 19 4.608 10.754 2.554 1.00 0.00 O ATOM 301 CB GLU A 19 1.976 10.834 4.770 1.00 0.00 C ATOM 302 CG GLU A 19 2.904 11.128 5.950 1.00 0.00 C ATOM 303 CD GLU A 19 2.728 10.048 7.020 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.263 8.972 6.677 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.062 10.314 8.162 1.00 0.00 O ATOM 0 H GLU A 19 0.481 11.813 3.028 1.00 0.00 H new ATOM 0 HA GLU A 19 3.107 12.375 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.975 11.213 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.885 9.758 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.940 11.156 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.678 12.109 6.368 1.00 0.00 H new ATOM 312 N GLU A 20 2.912 9.368 2.389 1.00 0.00 N ATOM 313 CA GLU A 20 3.744 8.367 1.669 1.00 0.00 C ATOM 314 C GLU A 20 4.559 9.077 0.586 1.00 0.00 C ATOM 315 O GLU A 20 5.772 9.124 0.638 1.00 0.00 O ATOM 316 CB GLU A 20 2.837 7.319 1.019 1.00 0.00 C ATOM 317 CG GLU A 20 3.571 6.664 -0.154 1.00 0.00 C ATOM 318 CD GLU A 20 2.759 5.470 -0.661 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.575 5.642 -0.894 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.337 4.406 -0.807 1.00 0.00 O ATOM 0 H GLU A 20 1.941 9.097 2.543 1.00 0.00 H new ATOM 0 HA GLU A 20 4.416 7.876 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.554 6.563 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.916 7.786 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.714 7.387 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.562 6.336 0.160 1.00 0.00 H new ATOM 327 N THR A 21 3.899 9.632 -0.393 1.00 0.00 N ATOM 328 CA THR A 21 4.632 10.343 -1.478 1.00 0.00 C ATOM 329 C THR A 21 5.813 11.106 -0.878 1.00 0.00 C ATOM 330 O THR A 21 6.959 10.804 -1.144 1.00 0.00 O ATOM 331 CB THR A 21 3.687 11.329 -2.169 1.00 0.00 C ATOM 332 OG1 THR A 21 2.531 10.636 -2.621 1.00 0.00 O ATOM 333 CG2 THR A 21 4.397 11.971 -3.361 1.00 0.00 C ATOM 0 H THR A 21 2.884 9.624 -0.488 1.00 0.00 H new ATOM 0 HA THR A 21 4.998 9.619 -2.206 1.00 0.00 H new ATOM 0 HB THR A 21 3.394 12.106 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.787 10.805 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.722 12.673 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.283 12.502 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.692 11.197 -4.069 1.00 0.00 H new ATOM 341 N ARG A 22 5.543 12.092 -0.067 1.00 0.00 N ATOM 342 CA ARG A 22 6.653 12.871 0.551 1.00 0.00 C ATOM 343 C ARG A 22 7.742 11.907 1.022 1.00 0.00 C ATOM 344 O ARG A 22 8.919 12.205 0.960 1.00 0.00 O ATOM 345 CB ARG A 22 6.118 13.663 1.746 1.00 0.00 C ATOM 346 CG ARG A 22 5.900 15.122 1.337 1.00 0.00 C ATOM 347 CD ARG A 22 4.965 15.801 2.338 1.00 0.00 C ATOM 348 NE ARG A 22 3.781 14.929 2.582 1.00 0.00 N ATOM 349 CZ ARG A 22 3.005 15.154 3.605 1.00 0.00 C ATOM 350 NH1 ARG A 22 3.264 16.143 4.416 1.00 0.00 N ATOM 351 NH2 ARG A 22 1.970 14.387 3.818 1.00 0.00 N ATOM 0 H ARG A 22 4.604 12.391 0.194 1.00 0.00 H new ATOM 0 HA ARG A 22 7.068 13.562 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.181 13.228 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.822 13.609 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.855 15.647 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.473 15.170 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.491 15.988 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.644 16.769 1.953 1.00 0.00 H new ATOM 0 HE ARG A 22 3.578 14.156 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.074 16.740 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.657 16.319 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.770 13.613 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.362 14.562 4.618 1.00 0.00 H new ATOM 365 N ASP A 23 7.358 10.751 1.490 1.00 0.00 N ATOM 366 CA ASP A 23 8.370 9.765 1.962 1.00 0.00 C ATOM 367 C ASP A 23 9.306 9.407 0.807 1.00 0.00 C ATOM 368 O ASP A 23 10.513 9.410 0.948 1.00 0.00 O ATOM 369 CB ASP A 23 7.661 8.503 2.454 1.00 0.00 C ATOM 370 CG ASP A 23 8.469 7.871 3.590 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.667 8.100 3.636 1.00 0.00 O ATOM 372 OD2 ASP A 23 7.877 7.170 4.393 1.00 0.00 O ATOM 0 H ASP A 23 6.387 10.447 1.566 1.00 0.00 H new ATOM 0 HA ASP A 23 8.948 10.198 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.657 8.749 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.550 7.793 1.634 1.00 0.00 H new ATOM 377 N ILE A 24 8.758 9.100 -0.338 1.00 0.00 N ATOM 378 CA ILE A 24 9.616 8.744 -1.502 1.00 0.00 C ATOM 379 C ILE A 24 10.414 9.975 -1.938 1.00 0.00 C ATOM 380 O ILE A 24 11.629 9.970 -1.939 1.00 0.00 O ATOM 381 CB ILE A 24 8.736 8.267 -2.658 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.948 7.030 -2.218 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.614 7.911 -3.861 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.734 6.843 -3.131 1.00 0.00 C ATOM 0 H ILE A 24 7.754 9.081 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 24 10.303 7.946 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 24 8.044 9.061 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.586 6.147 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.624 7.142 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.984 7.571 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.176 8.791 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.307 7.117 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.174 5.962 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.093 7.722 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.069 6.711 -4.160 1.00 0.00 H new ATOM 396 N ILE A 25 9.742 11.031 -2.307 1.00 0.00 N ATOM 397 CA ILE A 25 10.467 12.260 -2.738 1.00 0.00 C ATOM 398 C ILE A 25 11.672 12.482 -1.823 1.00 0.00 C ATOM 399 O ILE A 25 12.784 12.667 -2.277 1.00 0.00 O ATOM 400 CB ILE A 25 9.528 13.467 -2.647 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.143 13.077 -3.172 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.088 14.616 -3.490 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.290 12.308 -4.485 1.00 0.00 C ATOM 0 H ILE A 25 8.724 11.096 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 25 10.805 12.142 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 25 9.447 13.786 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.623 12.464 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.537 13.970 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.419 15.474 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.074 14.894 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.170 14.298 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.304 12.031 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.792 12.937 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.879 11.407 -4.315 1.00 0.00 H new ATOM 415 N GLN A 26 11.461 12.465 -0.535 1.00 0.00 N ATOM 416 CA GLN A 26 12.594 12.674 0.409 1.00 0.00 C ATOM 417 C GLN A 26 13.722 11.697 0.076 1.00 0.00 C ATOM 418 O GLN A 26 14.866 12.079 -0.071 1.00 0.00 O ATOM 419 CB GLN A 26 12.116 12.428 1.841 1.00 0.00 C ATOM 420 CG GLN A 26 11.364 13.660 2.350 1.00 0.00 C ATOM 421 CD GLN A 26 12.361 14.659 2.939 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.358 15.821 2.582 1.00 0.00 O ATOM 423 NE2 GLN A 26 13.222 14.254 3.833 1.00 0.00 N ATOM 0 H GLN A 26 10.552 12.315 -0.096 1.00 0.00 H new ATOM 0 HA GLN A 26 12.959 13.697 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.466 11.554 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.967 12.216 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.808 14.123 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.636 13.368 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.225 13.279 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.891 14.912 4.231 1.00 0.00 H new ATOM 432 N ALA A 27 13.410 10.435 -0.042 1.00 0.00 N ATOM 433 CA ALA A 27 14.462 9.431 -0.364 1.00 0.00 C ATOM 434 C ALA A 27 15.113 9.786 -1.703 1.00 0.00 C ATOM 435 O ALA A 27 16.260 10.183 -1.760 1.00 0.00 O ATOM 436 CB ALA A 27 13.831 8.040 -0.454 1.00 0.00 C ATOM 0 H ALA A 27 12.470 10.056 0.071 1.00 0.00 H new ATOM 0 HA ALA A 27 15.219 9.434 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.601 7.306 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.369 7.788 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.073 8.034 -1.237 1.00 0.00 H new ATOM 442 N LEU A 28 14.389 9.648 -2.779 1.00 0.00 N ATOM 443 CA LEU A 28 14.970 9.980 -4.110 1.00 0.00 C ATOM 444 C LEU A 28 15.885 11.198 -3.973 1.00 0.00 C ATOM 445 O LEU A 28 16.911 11.293 -4.616 1.00 0.00 O ATOM 446 CB LEU A 28 13.842 10.295 -5.097 1.00 0.00 C ATOM 447 CG LEU A 28 13.830 9.249 -6.212 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.376 7.902 -5.646 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.863 9.690 -7.313 1.00 0.00 C ATOM 0 H LEU A 28 13.423 9.321 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 28 15.546 9.131 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.883 10.300 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.982 11.290 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 28 14.833 9.149 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.368 7.157 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.063 7.587 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.373 8.001 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.853 8.945 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.860 9.790 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.186 10.649 -7.718 1.00 0.00 H new ATOM 461 N LEU A 29 15.521 12.131 -3.136 1.00 0.00 N ATOM 462 CA LEU A 29 16.370 13.342 -2.955 1.00 0.00 C ATOM 463 C LEU A 29 17.645 12.960 -2.198 1.00 0.00 C ATOM 464 O LEU A 29 18.738 13.330 -2.577 1.00 0.00 O ATOM 465 CB LEU A 29 15.596 14.392 -2.154 1.00 0.00 C ATOM 466 CG LEU A 29 15.182 15.543 -3.074 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.015 15.097 -3.957 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.749 16.740 -2.226 1.00 0.00 C ATOM 0 H LEU A 29 14.673 12.107 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 29 16.634 13.751 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.713 13.940 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.214 14.770 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 29 16.026 15.827 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.720 15.917 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.321 14.242 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.171 14.813 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.454 17.561 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.905 16.455 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.579 17.059 -1.596 1.00 0.00 H new ATOM 480 N GLU A 30 17.512 12.219 -1.132 1.00 0.00 N ATOM 481 CA GLU A 30 18.715 11.812 -0.352 1.00 0.00 C ATOM 482 C GLU A 30 19.619 10.943 -1.230 1.00 0.00 C ATOM 483 O GLU A 30 20.827 10.963 -1.106 1.00 0.00 O ATOM 484 CB GLU A 30 18.279 11.013 0.877 1.00 0.00 C ATOM 485 CG GLU A 30 19.229 11.305 2.040 1.00 0.00 C ATOM 486 CD GLU A 30 19.010 10.273 3.149 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.481 9.216 2.851 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.377 10.558 4.277 1.00 0.00 O ATOM 0 H GLU A 30 16.622 11.878 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 30 19.260 12.700 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.258 11.278 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.282 9.947 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.263 11.271 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.053 12.310 2.424 1.00 0.00 H new ATOM 495 N ASP A 31 19.040 10.181 -2.119 1.00 0.00 N ATOM 496 CA ASP A 31 19.861 9.309 -3.006 1.00 0.00 C ATOM 497 C ASP A 31 20.733 10.179 -3.915 1.00 0.00 C ATOM 498 O ASP A 31 21.811 9.789 -4.317 1.00 0.00 O ATOM 499 CB ASP A 31 18.936 8.443 -3.864 1.00 0.00 C ATOM 500 CG ASP A 31 17.687 8.076 -3.060 1.00 0.00 C ATOM 501 OD1 ASP A 31 17.656 8.380 -1.880 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.782 7.497 -3.640 1.00 0.00 O ATOM 0 H ASP A 31 18.033 10.125 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 31 20.499 8.669 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.653 8.981 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.457 7.539 -4.180 1.00 0.00 H new ATOM 507 N GLY A 32 20.273 11.355 -4.247 1.00 0.00 N ATOM 508 CA GLY A 32 21.074 12.247 -5.132 1.00 0.00 C ATOM 509 C GLY A 32 20.395 12.352 -6.499 1.00 0.00 C ATOM 510 O GLY A 32 21.019 12.677 -7.490 1.00 0.00 O ATOM 0 H GLY A 32 19.377 11.736 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.166 13.236 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.084 11.853 -5.245 1.00 0.00 H new ATOM 514 N SER A 33 19.120 12.078 -6.560 1.00 0.00 N ATOM 515 CA SER A 33 18.399 12.158 -7.862 1.00 0.00 C ATOM 516 C SER A 33 18.581 13.553 -8.464 1.00 0.00 C ATOM 517 O SER A 33 19.359 14.352 -7.983 1.00 0.00 O ATOM 518 CB SER A 33 16.912 11.891 -7.635 1.00 0.00 C ATOM 519 OG SER A 33 16.681 10.488 -7.632 1.00 0.00 O ATOM 0 H SER A 33 18.546 11.802 -5.763 1.00 0.00 H new ATOM 0 HA SER A 33 18.803 11.413 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.593 12.326 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.322 12.367 -8.418 1.00 0.00 H new ATOM 0 HG SER A 33 16.048 10.259 -8.344 1.00 0.00 H new ATOM 525 N ASP A 34 17.866 13.851 -9.516 1.00 0.00 N ATOM 526 CA ASP A 34 17.995 15.194 -10.150 1.00 0.00 C ATOM 527 C ASP A 34 16.627 15.651 -10.663 1.00 0.00 C ATOM 528 O ASP A 34 16.275 15.425 -11.803 1.00 0.00 O ATOM 529 CB ASP A 34 18.976 15.114 -11.321 1.00 0.00 C ATOM 530 CG ASP A 34 18.709 13.842 -12.128 1.00 0.00 C ATOM 531 OD1 ASP A 34 17.600 13.339 -12.054 1.00 0.00 O ATOM 532 OD2 ASP A 34 19.618 13.391 -12.805 1.00 0.00 O ATOM 0 H ASP A 34 17.199 13.222 -9.963 1.00 0.00 H new ATOM 0 HA ASP A 34 18.364 15.908 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.868 15.991 -11.959 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.001 15.113 -10.950 1.00 0.00 H new ATOM 537 N PRO A 35 15.865 16.290 -9.819 1.00 0.00 N ATOM 538 CA PRO A 35 14.506 16.797 -10.174 1.00 0.00 C ATOM 539 C PRO A 35 14.512 17.638 -11.456 1.00 0.00 C ATOM 540 O PRO A 35 13.571 17.622 -12.224 1.00 0.00 O ATOM 541 CB PRO A 35 14.111 17.659 -8.974 1.00 0.00 C ATOM 542 CG PRO A 35 14.919 17.143 -7.830 1.00 0.00 C ATOM 543 CD PRO A 35 16.217 16.598 -8.425 1.00 0.00 C ATOM 0 HA PRO A 35 13.812 15.980 -10.371 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.322 18.712 -9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.044 17.580 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.125 17.937 -7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.379 16.361 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.021 17.332 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.558 15.710 -7.893 1.00 0.00 H new ATOM 551 N ASP A 36 15.562 18.378 -11.690 1.00 0.00 N ATOM 552 CA ASP A 36 15.620 19.220 -12.919 1.00 0.00 C ATOM 553 C ASP A 36 15.809 18.328 -14.148 1.00 0.00 C ATOM 554 O ASP A 36 16.091 18.798 -15.231 1.00 0.00 O ATOM 555 CB ASP A 36 16.795 20.196 -12.815 1.00 0.00 C ATOM 556 CG ASP A 36 16.788 21.136 -14.021 1.00 0.00 C ATOM 557 OD1 ASP A 36 15.737 21.292 -14.621 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.835 21.685 -14.324 1.00 0.00 O ATOM 0 H ASP A 36 16.381 18.436 -11.084 1.00 0.00 H new ATOM 0 HA ASP A 36 14.689 19.778 -13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.723 20.771 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.735 19.646 -12.775 1.00 0.00 H new ATOM 563 N ALA A 37 15.657 17.041 -13.989 1.00 0.00 N ATOM 564 CA ALA A 37 15.831 16.122 -15.149 1.00 0.00 C ATOM 565 C ALA A 37 14.473 15.544 -15.556 1.00 0.00 C ATOM 566 O ALA A 37 14.393 14.592 -16.306 1.00 0.00 O ATOM 567 CB ALA A 37 16.773 14.980 -14.759 1.00 0.00 C ATOM 0 H ALA A 37 15.420 16.587 -13.107 1.00 0.00 H new ATOM 0 HA ALA A 37 16.255 16.675 -15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.900 14.308 -15.607 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.742 15.389 -14.472 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.349 14.429 -13.920 1.00 0.00 H new ATOM 573 N LEU A 38 13.405 16.112 -15.068 1.00 0.00 N ATOM 574 CA LEU A 38 12.056 15.592 -15.429 1.00 0.00 C ATOM 575 C LEU A 38 11.895 14.171 -14.883 1.00 0.00 C ATOM 576 O LEU A 38 12.830 13.394 -14.864 1.00 0.00 O ATOM 577 CB LEU A 38 11.911 15.571 -16.952 1.00 0.00 C ATOM 578 CG LEU A 38 10.590 16.230 -17.351 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.771 17.748 -17.406 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.162 15.717 -18.727 1.00 0.00 C ATOM 0 H LEU A 38 13.408 16.912 -14.436 1.00 0.00 H new ATOM 0 HA LEU A 38 11.290 16.236 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.746 16.098 -17.414 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.941 14.544 -17.316 1.00 0.00 H new ATOM 0 HG LEU A 38 9.824 15.984 -16.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.829 18.217 -17.690 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.077 18.114 -16.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.536 17.997 -18.141 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.220 16.186 -19.013 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.928 15.964 -19.462 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.032 14.636 -18.688 1.00 0.00 H new ATOM 592 N TYR A 39 10.720 13.825 -14.437 1.00 0.00 N ATOM 593 CA TYR A 39 10.501 12.455 -13.891 1.00 0.00 C ATOM 594 C TYR A 39 9.241 11.852 -14.516 1.00 0.00 C ATOM 595 O TYR A 39 8.316 12.554 -14.872 1.00 0.00 O ATOM 596 CB TYR A 39 10.331 12.533 -12.371 1.00 0.00 C ATOM 597 CG TYR A 39 11.520 11.896 -11.693 1.00 0.00 C ATOM 598 CD1 TYR A 39 11.525 10.520 -11.435 1.00 0.00 C ATOM 599 CD2 TYR A 39 12.617 12.682 -11.320 1.00 0.00 C ATOM 600 CE1 TYR A 39 12.628 9.930 -10.804 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.718 12.092 -10.690 1.00 0.00 C ATOM 602 CZ TYR A 39 13.724 10.716 -10.431 1.00 0.00 C ATOM 603 OH TYR A 39 14.810 10.136 -9.809 1.00 0.00 O ATOM 0 H TYR A 39 9.900 14.432 -14.427 1.00 0.00 H new ATOM 0 HA TYR A 39 11.360 11.827 -14.129 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.236 13.573 -12.059 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.414 12.025 -12.071 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.679 9.913 -11.722 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.613 13.744 -11.519 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.632 8.868 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.564 12.699 -10.403 1.00 0.00 H new ATOM 0 HH TYR A 39 15.633 10.410 -10.265 1.00 0.00 H new ATOM 613 N GLU A 40 9.197 10.554 -14.647 1.00 0.00 N ATOM 614 CA GLU A 40 7.997 9.905 -15.243 1.00 0.00 C ATOM 615 C GLU A 40 7.180 9.242 -14.133 1.00 0.00 C ATOM 616 O GLU A 40 7.660 8.374 -13.431 1.00 0.00 O ATOM 617 CB GLU A 40 8.438 8.847 -16.257 1.00 0.00 C ATOM 618 CG GLU A 40 9.695 9.330 -16.983 1.00 0.00 C ATOM 619 CD GLU A 40 10.931 8.693 -16.345 1.00 0.00 C ATOM 620 OE1 GLU A 40 10.982 7.474 -16.288 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.805 9.432 -15.924 1.00 0.00 O ATOM 0 H GLU A 40 9.941 9.915 -14.367 1.00 0.00 H new ATOM 0 HA GLU A 40 7.388 10.655 -15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.638 7.903 -15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.639 8.661 -16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.641 9.066 -18.039 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.764 10.416 -16.929 1.00 0.00 H new ATOM 628 N ILE A 41 5.950 9.645 -13.964 1.00 0.00 N ATOM 629 CA ILE A 41 5.107 9.038 -12.894 1.00 0.00 C ATOM 630 C ILE A 41 4.300 7.875 -13.476 1.00 0.00 C ATOM 631 O ILE A 41 3.767 7.959 -14.565 1.00 0.00 O ATOM 632 CB ILE A 41 4.149 10.095 -12.339 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.857 11.451 -12.284 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.704 9.697 -10.930 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.179 11.308 -11.525 1.00 0.00 C ATOM 0 H ILE A 41 5.493 10.368 -14.520 1.00 0.00 H new ATOM 0 HA ILE A 41 5.748 8.670 -12.093 1.00 0.00 H new ATOM 0 HB ILE A 41 3.277 10.166 -12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.043 11.817 -13.294 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.220 12.186 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.022 10.451 -10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.196 8.733 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.576 9.623 -10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.683 12.274 -11.486 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.981 10.961 -10.511 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.816 10.587 -12.037 1.00 0.00 H new ATOM 647 N GLU A 42 4.203 6.789 -12.757 1.00 0.00 N ATOM 648 CA GLU A 42 3.427 5.622 -13.266 1.00 0.00 C ATOM 649 C GLU A 42 2.191 5.412 -12.389 1.00 0.00 C ATOM 650 O GLU A 42 2.258 5.487 -11.178 1.00 0.00 O ATOM 651 CB GLU A 42 4.303 4.367 -13.225 1.00 0.00 C ATOM 652 CG GLU A 42 4.400 3.764 -14.628 1.00 0.00 C ATOM 653 CD GLU A 42 5.339 4.614 -15.484 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.489 5.786 -15.180 1.00 0.00 O ATOM 655 OE2 GLU A 42 5.893 4.079 -16.431 1.00 0.00 O ATOM 0 H GLU A 42 4.628 6.660 -11.839 1.00 0.00 H new ATOM 0 HA GLU A 42 3.116 5.812 -14.293 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.298 4.617 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.880 3.638 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.770 2.740 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.412 3.721 -15.086 1.00 0.00 H new ATOM 662 N HIS A 43 1.063 5.148 -12.989 1.00 0.00 N ATOM 663 CA HIS A 43 -0.175 4.933 -12.187 1.00 0.00 C ATOM 664 C HIS A 43 -0.853 3.634 -12.628 1.00 0.00 C ATOM 665 O HIS A 43 -1.130 3.431 -13.793 1.00 0.00 O ATOM 666 CB HIS A 43 -1.136 6.104 -12.405 1.00 0.00 C ATOM 667 CG HIS A 43 -0.386 7.401 -12.279 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.317 8.105 -11.085 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.329 8.141 -13.191 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.414 9.212 -11.307 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.830 9.280 -12.573 1.00 0.00 N ATOM 0 H HIS A 43 0.945 5.072 -13.999 1.00 0.00 H new ATOM 0 HA HIS A 43 0.087 4.867 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.595 6.032 -13.391 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.943 6.066 -11.674 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.743 7.832 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.478 7.878 -14.228 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.637 9.954 -10.554 1.00 0.00 H new ATOM 679 N HIS A 44 -1.123 2.753 -11.704 1.00 0.00 N ATOM 680 CA HIS A 44 -1.786 1.469 -12.070 1.00 0.00 C ATOM 681 C HIS A 44 -3.246 1.504 -11.617 1.00 0.00 C ATOM 682 O HIS A 44 -3.540 1.537 -10.439 1.00 0.00 O ATOM 683 CB HIS A 44 -1.065 0.307 -11.382 1.00 0.00 C ATOM 684 CG HIS A 44 0.410 0.399 -11.661 1.00 0.00 C ATOM 685 ND1 HIS A 44 1.343 0.611 -10.656 1.00 0.00 N ATOM 686 CD2 HIS A 44 1.129 0.314 -12.829 1.00 0.00 C ATOM 687 CE1 HIS A 44 2.560 0.646 -11.231 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.482 0.470 -12.551 1.00 0.00 N ATOM 0 H HIS A 44 -0.913 2.866 -10.712 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.743 1.333 -13.151 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.246 0.338 -10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.456 -0.644 -11.744 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.143 0.720 -9.662 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.708 0.151 -13.810 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.483 0.798 -10.691 1.00 0.00 H new ATOM 696 N LEU A 45 -4.165 1.499 -12.544 1.00 0.00 N ATOM 697 CA LEU A 45 -5.605 1.534 -12.165 1.00 0.00 C ATOM 698 C LEU A 45 -6.301 0.272 -12.679 1.00 0.00 C ATOM 699 O LEU A 45 -5.943 -0.270 -13.705 1.00 0.00 O ATOM 700 CB LEU A 45 -6.266 2.768 -12.781 1.00 0.00 C ATOM 701 CG LEU A 45 -5.754 4.028 -12.081 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.854 4.813 -13.037 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.941 4.902 -11.668 1.00 0.00 C ATOM 0 H LEU A 45 -3.980 1.472 -13.547 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.692 1.579 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.045 2.817 -13.847 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.349 2.700 -12.683 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.185 3.744 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.489 5.711 -12.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.008 4.193 -13.332 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.423 5.096 -13.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.576 5.800 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.510 5.185 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.584 4.344 -10.987 1.00 0.00 H new ATOM 715 N PHE A 46 -7.293 -0.197 -11.974 1.00 0.00 N ATOM 716 CA PHE A 46 -8.012 -1.423 -12.424 1.00 0.00 C ATOM 717 C PHE A 46 -9.521 -1.190 -12.333 1.00 0.00 C ATOM 718 O PHE A 46 -9.982 -0.314 -11.628 1.00 0.00 O ATOM 719 CB PHE A 46 -7.621 -2.602 -11.528 1.00 0.00 C ATOM 720 CG PHE A 46 -6.543 -2.166 -10.566 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.270 -1.835 -11.045 1.00 0.00 C ATOM 722 CD2 PHE A 46 -6.815 -2.093 -9.195 1.00 0.00 C ATOM 723 CE1 PHE A 46 -4.269 -1.432 -10.153 1.00 0.00 C ATOM 724 CE2 PHE A 46 -5.814 -1.689 -8.303 1.00 0.00 C ATOM 725 CZ PHE A 46 -4.541 -1.359 -8.782 1.00 0.00 C ATOM 0 H PHE A 46 -7.637 0.215 -11.107 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.741 -1.646 -13.456 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.492 -2.959 -10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.266 -3.433 -12.137 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.060 -1.891 -12.103 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.797 -2.348 -8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.287 -1.177 -10.523 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.024 -1.632 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.769 -1.048 -8.094 1.00 0.00 H new ATOM 735 N ALA A 47 -10.293 -1.965 -13.043 1.00 0.00 N ATOM 736 CA ALA A 47 -11.772 -1.782 -12.996 1.00 0.00 C ATOM 737 C ALA A 47 -12.460 -3.147 -13.048 1.00 0.00 C ATOM 738 O ALA A 47 -11.880 -4.131 -13.464 1.00 0.00 O ATOM 739 CB ALA A 47 -12.217 -0.939 -14.193 1.00 0.00 C ATOM 0 H ALA A 47 -9.966 -2.715 -13.652 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.046 -1.275 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.298 -0.804 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.728 0.034 -14.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.942 -1.446 -15.118 1.00 0.00 H new ATOM 745 N GLU A 48 -13.695 -3.214 -12.631 1.00 0.00 N ATOM 746 CA GLU A 48 -14.424 -4.513 -12.658 1.00 0.00 C ATOM 747 C GLU A 48 -15.293 -4.581 -13.915 1.00 0.00 C ATOM 748 O GLU A 48 -15.806 -5.623 -14.273 1.00 0.00 O ATOM 749 CB GLU A 48 -15.313 -4.625 -11.417 1.00 0.00 C ATOM 750 CG GLU A 48 -15.254 -6.053 -10.869 1.00 0.00 C ATOM 751 CD GLU A 48 -13.825 -6.372 -10.424 1.00 0.00 C ATOM 752 OE1 GLU A 48 -13.057 -5.439 -10.251 1.00 0.00 O ATOM 753 OE2 GLU A 48 -13.524 -7.543 -10.264 1.00 0.00 O ATOM 0 H GLU A 48 -14.231 -2.424 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.707 -5.334 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.982 -3.919 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.341 -4.364 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.940 -6.160 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.574 -6.761 -11.634 1.00 0.00 H new ATOM 760 N ASP A 49 -15.463 -3.476 -14.588 1.00 0.00 N ATOM 761 CA ASP A 49 -16.298 -3.474 -15.823 1.00 0.00 C ATOM 762 C ASP A 49 -15.433 -3.080 -17.021 1.00 0.00 C ATOM 763 O ASP A 49 -14.805 -2.040 -17.031 1.00 0.00 O ATOM 764 CB ASP A 49 -17.440 -2.468 -15.664 1.00 0.00 C ATOM 765 CG ASP A 49 -18.734 -3.209 -15.314 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.648 -4.369 -14.947 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.787 -2.603 -15.420 1.00 0.00 O ATOM 0 H ASP A 49 -15.060 -2.574 -14.336 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.711 -4.469 -15.985 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.198 -1.749 -14.881 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.571 -1.903 -16.587 1.00 0.00 H new ATOM 772 N PHE A 50 -15.396 -3.903 -18.035 1.00 0.00 N ATOM 773 CA PHE A 50 -14.574 -3.573 -19.232 1.00 0.00 C ATOM 774 C PHE A 50 -15.066 -2.258 -19.836 1.00 0.00 C ATOM 775 O PHE A 50 -14.314 -1.518 -20.440 1.00 0.00 O ATOM 776 CB PHE A 50 -14.707 -4.692 -20.265 1.00 0.00 C ATOM 777 CG PHE A 50 -15.229 -5.939 -19.591 1.00 0.00 C ATOM 778 CD1 PHE A 50 -14.741 -6.310 -18.333 1.00 0.00 C ATOM 779 CD2 PHE A 50 -16.199 -6.723 -20.226 1.00 0.00 C ATOM 780 CE1 PHE A 50 -15.225 -7.465 -17.708 1.00 0.00 C ATOM 781 CE2 PHE A 50 -16.683 -7.880 -19.601 1.00 0.00 C ATOM 782 CZ PHE A 50 -16.195 -8.251 -18.342 1.00 0.00 C ATOM 0 H PHE A 50 -15.900 -4.789 -18.085 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.528 -3.472 -18.941 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -15.384 -4.386 -21.063 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.740 -4.893 -20.726 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -13.991 -5.705 -17.845 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.574 -6.436 -21.197 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.850 -7.750 -16.736 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -17.432 -8.485 -20.090 1.00 0.00 H new ATOM 0 HZ PHE A 50 -16.567 -9.143 -17.860 1.00 0.00 H new ATOM 792 N ASP A 51 -16.326 -1.960 -19.674 1.00 0.00 N ATOM 793 CA ASP A 51 -16.870 -0.690 -20.233 1.00 0.00 C ATOM 794 C ASP A 51 -16.383 0.480 -19.381 1.00 0.00 C ATOM 795 O ASP A 51 -15.932 1.487 -19.889 1.00 0.00 O ATOM 796 CB ASP A 51 -18.399 -0.736 -20.213 1.00 0.00 C ATOM 797 CG ASP A 51 -18.869 -1.609 -19.048 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.993 -2.807 -19.243 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.099 -1.065 -17.980 1.00 0.00 O ATOM 0 H ASP A 51 -17.002 -2.541 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.527 -0.564 -21.260 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.802 0.272 -20.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.774 -1.136 -21.155 1.00 0.00 H new ATOM 804 N LYS A 52 -16.460 0.350 -18.085 1.00 0.00 N ATOM 805 CA LYS A 52 -15.993 1.449 -17.197 1.00 0.00 C ATOM 806 C LYS A 52 -14.485 1.622 -17.374 1.00 0.00 C ATOM 807 O LYS A 52 -13.922 2.650 -17.054 1.00 0.00 O ATOM 808 CB LYS A 52 -16.297 1.090 -15.740 1.00 0.00 C ATOM 809 CG LYS A 52 -16.445 2.371 -14.917 1.00 0.00 C ATOM 810 CD LYS A 52 -17.930 2.681 -14.717 1.00 0.00 C ATOM 811 CE LYS A 52 -18.594 1.538 -13.945 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.472 0.761 -14.865 1.00 0.00 N ATOM 0 H LYS A 52 -16.827 -0.471 -17.603 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.505 2.376 -17.455 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.213 0.501 -15.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.496 0.474 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.954 2.254 -13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.955 3.201 -15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.046 3.617 -14.171 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.418 2.812 -15.683 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.834 0.886 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.180 1.936 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.468 0.981 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.255 1.016 -15.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.307 -0.256 -14.726 1.00 0.00 H new ATOM 826 N LEU A 53 -13.828 0.618 -17.885 1.00 0.00 N ATOM 827 CA LEU A 53 -12.357 0.710 -18.090 1.00 0.00 C ATOM 828 C LEU A 53 -12.068 1.602 -19.300 1.00 0.00 C ATOM 829 O LEU A 53 -11.314 2.551 -19.218 1.00 0.00 O ATOM 830 CB LEU A 53 -11.797 -0.692 -18.337 1.00 0.00 C ATOM 831 CG LEU A 53 -10.271 -0.661 -18.253 1.00 0.00 C ATOM 832 CD1 LEU A 53 -9.757 -2.037 -17.826 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.691 -0.305 -19.625 1.00 0.00 C ATOM 0 H LEU A 53 -14.250 -0.266 -18.170 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.886 1.140 -17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.197 -1.389 -17.600 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.109 -1.051 -19.318 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.963 0.087 -17.522 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.669 -2.016 -17.766 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.170 -2.293 -16.850 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.066 -2.784 -18.558 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.603 -0.283 -19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.999 -1.053 -20.356 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.058 0.675 -19.932 1.00 0.00 H new ATOM 845 N GLU A 54 -12.663 1.303 -20.422 1.00 0.00 N ATOM 846 CA GLU A 54 -12.422 2.132 -21.637 1.00 0.00 C ATOM 847 C GLU A 54 -12.895 3.564 -21.382 1.00 0.00 C ATOM 848 O GLU A 54 -12.298 4.517 -21.840 1.00 0.00 O ATOM 849 CB GLU A 54 -13.199 1.544 -22.817 1.00 0.00 C ATOM 850 CG GLU A 54 -12.603 0.188 -23.199 1.00 0.00 C ATOM 851 CD GLU A 54 -12.876 -0.091 -24.678 1.00 0.00 C ATOM 852 OE1 GLU A 54 -12.350 0.636 -25.505 1.00 0.00 O ATOM 853 OE2 GLU A 54 -13.609 -1.025 -24.959 1.00 0.00 O ATOM 0 H GLU A 54 -13.305 0.521 -20.550 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.356 2.137 -21.867 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.250 1.429 -22.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.157 2.224 -23.668 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.530 0.184 -23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.038 -0.599 -22.583 1.00 0.00 H new ATOM 860 N LYS A 55 -13.968 3.722 -20.656 1.00 0.00 N ATOM 861 CA LYS A 55 -14.481 5.093 -20.376 1.00 0.00 C ATOM 862 C LYS A 55 -13.454 5.870 -19.549 1.00 0.00 C ATOM 863 O LYS A 55 -12.905 6.858 -19.994 1.00 0.00 O ATOM 864 CB LYS A 55 -15.795 4.994 -19.599 1.00 0.00 C ATOM 865 CG LYS A 55 -16.912 4.540 -20.541 1.00 0.00 C ATOM 866 CD LYS A 55 -18.178 4.248 -19.733 1.00 0.00 C ATOM 867 CE LYS A 55 -19.316 3.868 -20.683 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.483 4.937 -21.709 1.00 0.00 N ATOM 0 H LYS A 55 -14.511 2.962 -20.245 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.652 5.615 -21.318 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.690 4.288 -18.775 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.045 5.960 -19.161 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.112 5.313 -21.283 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.602 3.648 -21.086 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.993 3.437 -19.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.457 5.123 -19.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.098 2.916 -21.166 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.243 3.737 -20.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.486 5.012 -21.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.158 5.845 -21.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.921 4.700 -22.552 1.00 0.00 H new ATOM 882 N ALA A 56 -13.192 5.433 -18.347 1.00 0.00 N ATOM 883 CA ALA A 56 -12.205 6.151 -17.491 1.00 0.00 C ATOM 884 C ALA A 56 -10.860 6.244 -18.217 1.00 0.00 C ATOM 885 O ALA A 56 -10.274 7.302 -18.320 1.00 0.00 O ATOM 886 CB ALA A 56 -12.022 5.388 -16.176 1.00 0.00 C ATOM 0 H ALA A 56 -13.619 4.610 -17.921 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.572 7.156 -17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.301 5.912 -15.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.978 5.326 -15.655 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.657 4.383 -16.386 1.00 0.00 H new ATOM 892 N ALA A 57 -10.365 5.145 -18.718 1.00 0.00 N ATOM 893 CA ALA A 57 -9.057 5.173 -19.432 1.00 0.00 C ATOM 894 C ALA A 57 -9.097 6.234 -20.535 1.00 0.00 C ATOM 895 O ALA A 57 -8.180 7.016 -20.690 1.00 0.00 O ATOM 896 CB ALA A 57 -8.783 3.802 -20.053 1.00 0.00 C ATOM 0 H ALA A 57 -10.810 4.229 -18.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.265 5.416 -18.724 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.826 3.824 -20.575 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.751 3.047 -19.268 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.576 3.557 -20.759 1.00 0.00 H new ATOM 902 N VAL A 58 -10.150 6.265 -21.304 1.00 0.00 N ATOM 903 CA VAL A 58 -10.244 7.273 -22.397 1.00 0.00 C ATOM 904 C VAL A 58 -9.997 8.672 -21.826 1.00 0.00 C ATOM 905 O VAL A 58 -9.055 9.345 -22.194 1.00 0.00 O ATOM 906 CB VAL A 58 -11.640 7.207 -23.026 1.00 0.00 C ATOM 907 CG1 VAL A 58 -12.028 8.585 -23.571 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.632 6.193 -24.173 1.00 0.00 C ATOM 0 H VAL A 58 -10.949 5.636 -21.223 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.493 7.061 -23.158 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.362 6.901 -22.269 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.021 8.533 -24.017 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.033 9.310 -22.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.306 8.894 -24.327 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.624 6.144 -24.622 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.907 6.502 -24.926 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.359 5.210 -23.788 1.00 0.00 H new ATOM 918 N GLU A 59 -10.838 9.117 -20.932 1.00 0.00 N ATOM 919 CA GLU A 59 -10.652 10.473 -20.342 1.00 0.00 C ATOM 920 C GLU A 59 -9.208 10.629 -19.857 1.00 0.00 C ATOM 921 O GLU A 59 -8.691 11.725 -19.764 1.00 0.00 O ATOM 922 CB GLU A 59 -11.607 10.652 -19.160 1.00 0.00 C ATOM 923 CG GLU A 59 -12.285 12.022 -19.252 1.00 0.00 C ATOM 924 CD GLU A 59 -13.139 12.253 -18.005 1.00 0.00 C ATOM 925 OE1 GLU A 59 -14.209 11.674 -17.927 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.709 13.008 -17.148 1.00 0.00 O ATOM 0 H GLU A 59 -11.646 8.600 -20.585 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.864 11.228 -21.099 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.358 9.862 -19.163 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.060 10.568 -18.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.533 12.806 -19.341 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.907 12.073 -20.146 1.00 0.00 H new ATOM 933 N ALA A 60 -8.553 9.544 -19.548 1.00 0.00 N ATOM 934 CA ALA A 60 -7.145 9.636 -19.069 1.00 0.00 C ATOM 935 C ALA A 60 -6.229 10.021 -20.233 1.00 0.00 C ATOM 936 O ALA A 60 -5.422 10.923 -20.129 1.00 0.00 O ATOM 937 CB ALA A 60 -6.706 8.283 -18.503 1.00 0.00 C ATOM 0 H ALA A 60 -8.931 8.599 -19.606 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.080 10.395 -18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.676 8.352 -18.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.354 8.009 -17.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.775 7.523 -19.282 1.00 0.00 H new ATOM 943 N PHE A 61 -6.347 9.342 -21.341 1.00 0.00 N ATOM 944 CA PHE A 61 -5.481 9.669 -22.509 1.00 0.00 C ATOM 945 C PHE A 61 -5.789 11.087 -22.996 1.00 0.00 C ATOM 946 O PHE A 61 -4.924 11.789 -23.481 1.00 0.00 O ATOM 947 CB PHE A 61 -5.752 8.673 -23.638 1.00 0.00 C ATOM 948 CG PHE A 61 -5.258 9.246 -24.944 1.00 0.00 C ATOM 949 CD1 PHE A 61 -5.987 10.252 -25.589 1.00 0.00 C ATOM 950 CD2 PHE A 61 -4.068 8.772 -25.510 1.00 0.00 C ATOM 951 CE1 PHE A 61 -5.528 10.782 -26.800 1.00 0.00 C ATOM 952 CE2 PHE A 61 -3.609 9.303 -26.721 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.338 10.308 -27.366 1.00 0.00 C ATOM 0 H PHE A 61 -7.004 8.576 -21.488 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.434 9.608 -22.212 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.251 7.727 -23.431 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.819 8.461 -23.702 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.904 10.619 -25.152 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.504 7.997 -25.012 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.092 11.557 -27.298 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.692 8.937 -27.158 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.983 10.718 -28.300 1.00 0.00 H new ATOM 963 N LYS A 62 -7.016 11.515 -22.873 1.00 0.00 N ATOM 964 CA LYS A 62 -7.377 12.886 -23.332 1.00 0.00 C ATOM 965 C LYS A 62 -6.730 13.923 -22.410 1.00 0.00 C ATOM 966 O LYS A 62 -6.352 14.995 -22.838 1.00 0.00 O ATOM 967 CB LYS A 62 -8.898 13.050 -23.297 1.00 0.00 C ATOM 968 CG LYS A 62 -9.287 14.357 -23.994 1.00 0.00 C ATOM 969 CD LYS A 62 -10.810 14.500 -23.999 1.00 0.00 C ATOM 970 CE LYS A 62 -11.239 15.451 -22.880 1.00 0.00 C ATOM 971 NZ LYS A 62 -10.979 14.811 -21.559 1.00 0.00 N ATOM 0 H LYS A 62 -7.784 10.974 -22.475 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.018 13.034 -24.350 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.377 12.205 -23.792 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.250 13.057 -22.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.833 15.204 -23.480 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.907 14.363 -25.016 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.147 14.881 -24.963 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.278 13.525 -23.861 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.691 16.390 -22.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.298 15.691 -22.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.640 15.192 -20.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.113 13.783 -21.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.002 15.011 -21.263 1.00 0.00 H new ATOM 985 N MET A 63 -6.599 13.612 -21.149 1.00 0.00 N ATOM 986 CA MET A 63 -5.977 14.585 -20.205 1.00 0.00 C ATOM 987 C MET A 63 -4.473 14.670 -20.473 1.00 0.00 C ATOM 988 O MET A 63 -3.910 15.743 -20.567 1.00 0.00 O ATOM 989 CB MET A 63 -6.213 14.120 -18.766 1.00 0.00 C ATOM 990 CG MET A 63 -7.365 14.921 -18.154 1.00 0.00 C ATOM 991 SD MET A 63 -7.521 14.506 -16.399 1.00 0.00 S ATOM 992 CE MET A 63 -8.544 13.028 -16.609 1.00 0.00 C ATOM 0 H MET A 63 -6.895 12.729 -20.732 1.00 0.00 H new ATOM 0 HA MET A 63 -6.426 15.568 -20.349 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.447 13.056 -18.750 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.307 14.256 -18.175 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.182 15.989 -18.271 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.295 14.697 -18.676 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.782 12.608 -15.632 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.467 13.295 -17.123 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.000 12.290 -17.199 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.816 13.549 -20.601 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.349 13.572 -20.865 1.00 0.00 C ATOM 1004 C GLY A 64 -1.685 12.371 -20.190 1.00 0.00 C ATOM 1005 O GLY A 64 -0.481 12.323 -20.034 1.00 0.00 O ATOM 0 H GLY A 64 -4.231 12.620 -20.534 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.163 13.547 -21.939 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.916 14.499 -20.488 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.459 11.400 -19.789 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.867 10.204 -19.126 1.00 0.00 C ATOM 1011 C PHE A 65 -1.686 9.087 -20.158 1.00 0.00 C ATOM 1012 O PHE A 65 -2.644 8.536 -20.664 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.799 9.722 -18.012 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.771 10.708 -16.869 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.578 11.850 -16.909 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.938 10.477 -15.766 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.553 12.764 -15.847 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.914 11.389 -14.705 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.720 12.533 -14.746 1.00 0.00 C ATOM 0 H PHE A 65 -3.474 11.383 -19.892 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.899 10.467 -18.700 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.815 9.619 -18.393 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.488 8.737 -17.664 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.221 12.027 -17.759 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.315 9.595 -15.735 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.176 13.646 -15.878 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.273 11.210 -13.854 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.699 13.238 -13.928 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.466 8.749 -20.473 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.227 7.670 -21.471 1.00 0.00 C ATOM 1031 C GLU A 66 -0.868 6.370 -20.978 1.00 0.00 C ATOM 1032 O GLU A 66 -0.223 5.539 -20.371 1.00 0.00 O ATOM 1033 CB GLU A 66 1.278 7.463 -21.649 1.00 0.00 C ATOM 1034 CG GLU A 66 1.765 8.269 -22.856 1.00 0.00 C ATOM 1035 CD GLU A 66 1.775 7.376 -24.098 1.00 0.00 C ATOM 1036 OE1 GLU A 66 1.051 6.395 -24.104 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.508 7.689 -25.022 1.00 0.00 O ATOM 0 H GLU A 66 0.375 9.173 -20.082 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.669 7.953 -22.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.808 7.778 -20.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.496 6.405 -21.793 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.115 9.128 -23.019 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.766 8.658 -22.667 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.135 6.193 -21.234 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.825 4.953 -20.781 1.00 0.00 C ATOM 1046 C VAL A 67 -2.202 3.736 -21.470 1.00 0.00 C ATOM 1047 O VAL A 67 -1.921 3.754 -22.651 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.307 5.039 -21.149 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.474 4.770 -22.645 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -5.095 3.996 -20.350 1.00 0.00 C ATOM 0 H VAL A 67 -2.723 6.856 -21.739 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.718 4.851 -19.701 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.684 6.034 -20.913 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.530 4.831 -22.910 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.914 5.513 -23.213 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.098 3.774 -22.880 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.151 4.058 -20.613 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.721 2.999 -20.584 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.975 4.187 -19.284 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.990 2.674 -20.740 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.393 1.454 -21.353 1.00 0.00 C ATOM 1062 C LEU A 68 -2.417 0.319 -21.317 1.00 0.00 C ATOM 1063 O LEU A 68 -3.132 0.146 -20.351 1.00 0.00 O ATOM 1064 CB LEU A 68 -0.148 1.040 -20.567 1.00 0.00 C ATOM 1065 CG LEU A 68 0.866 0.399 -21.516 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.876 1.455 -21.971 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.602 -0.729 -20.792 1.00 0.00 C ATOM 0 H LEU A 68 -2.205 2.599 -19.746 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.114 1.665 -22.385 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.293 1.910 -20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.419 0.337 -19.779 1.00 0.00 H new ATOM 0 HG LEU A 68 0.345 -0.006 -22.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.599 0.999 -22.647 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.353 2.260 -22.488 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.396 1.859 -21.102 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.324 -1.185 -21.469 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.123 -0.325 -19.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.884 -1.482 -20.466 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.494 -0.456 -22.364 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.473 -1.577 -22.390 1.00 0.00 C ATOM 1081 C GLU A 69 -3.376 -2.367 -21.084 1.00 0.00 C ATOM 1082 O GLU A 69 -2.336 -2.431 -20.460 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.162 -2.499 -23.571 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.825 -3.860 -23.348 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.313 -3.662 -23.055 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.874 -2.701 -23.556 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.868 -4.475 -22.334 1.00 0.00 O ATOM 0 H GLU A 69 -1.921 -0.361 -23.202 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.481 -1.178 -22.499 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.524 -2.054 -24.498 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.084 -2.621 -23.676 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.698 -4.487 -24.230 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.346 -4.378 -22.517 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.456 -2.966 -20.663 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.428 -3.747 -19.397 1.00 0.00 C ATOM 1096 C ALA A 70 -4.363 -5.243 -19.716 1.00 0.00 C ATOM 1097 O ALA A 70 -4.649 -5.666 -20.818 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.695 -3.454 -18.592 1.00 0.00 C ATOM 0 H ALA A 70 -5.356 -2.948 -21.142 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.551 -3.463 -18.816 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.677 -4.025 -17.664 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.742 -2.390 -18.362 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.571 -3.738 -19.176 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.992 -6.044 -18.756 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.911 -7.512 -18.996 1.00 0.00 C ATOM 1106 C GLU A 71 -4.763 -8.239 -17.954 1.00 0.00 C ATOM 1107 O GLU A 71 -4.781 -7.880 -16.794 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.456 -7.972 -18.879 1.00 0.00 C ATOM 1109 CG GLU A 71 -2.372 -9.477 -19.143 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.798 -9.720 -20.540 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -0.585 -9.702 -20.672 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -2.581 -9.922 -21.454 1.00 0.00 O ATOM 0 H GLU A 71 -3.741 -5.745 -17.814 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.280 -7.740 -19.996 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.834 -7.432 -19.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.071 -7.745 -17.885 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.742 -9.954 -18.392 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.362 -9.927 -19.062 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.471 -9.256 -18.359 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.325 -10.001 -17.392 1.00 0.00 C ATOM 1121 C GLU A 72 -5.450 -10.606 -16.291 1.00 0.00 C ATOM 1122 O GLU A 72 -4.551 -11.379 -16.552 1.00 0.00 O ATOM 1123 CB GLU A 72 -7.067 -11.119 -18.127 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.490 -11.273 -19.535 1.00 0.00 C ATOM 1125 CD GLU A 72 -6.944 -10.099 -20.405 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -8.080 -10.122 -20.851 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -6.148 -9.198 -20.611 1.00 0.00 O ATOM 0 H GLU A 72 -5.495 -9.604 -19.318 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.046 -9.317 -16.944 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.971 -12.056 -17.578 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.131 -10.889 -18.181 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.401 -11.307 -19.491 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.821 -12.214 -19.974 1.00 0.00 H new ATOM 1134 N THR A 73 -5.710 -10.261 -15.058 1.00 0.00 N ATOM 1135 CA THR A 73 -4.900 -10.817 -13.939 1.00 0.00 C ATOM 1136 C THR A 73 -5.834 -11.446 -12.904 1.00 0.00 C ATOM 1137 O THR A 73 -6.997 -11.679 -13.167 1.00 0.00 O ATOM 1138 CB THR A 73 -4.092 -9.694 -13.281 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.340 -10.225 -12.198 1.00 0.00 O ATOM 1140 CG2 THR A 73 -5.042 -8.612 -12.764 1.00 0.00 C ATOM 0 H THR A 73 -6.450 -9.617 -14.779 1.00 0.00 H new ATOM 0 HA THR A 73 -4.217 -11.574 -14.325 1.00 0.00 H new ATOM 0 HB THR A 73 -3.414 -9.257 -14.014 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.821 -9.508 -11.777 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.465 -7.814 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.617 -8.205 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.722 -9.045 -12.031 1.00 0.00 H new ATOM 1223 N LYS A 80 -11.112 -11.751 -11.471 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.751 -11.482 -12.892 1.00 0.00 C ATOM 1225 C LYS A 80 -10.995 -10.004 -13.207 1.00 0.00 C ATOM 1226 O LYS A 80 -12.093 -9.604 -13.538 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.618 -12.347 -13.810 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.062 -12.302 -15.234 1.00 0.00 C ATOM 1229 CD LYS A 80 -11.233 -13.673 -15.893 1.00 0.00 C ATOM 1230 CE LYS A 80 -10.254 -14.668 -15.266 1.00 0.00 C ATOM 1231 NZ LYS A 80 -11.012 -15.681 -14.476 1.00 0.00 N ATOM 0 HA LYS A 80 -9.700 -11.721 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.635 -13.375 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.647 -11.988 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.582 -11.540 -15.815 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.008 -12.025 -15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.257 -14.024 -15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.054 -13.597 -16.966 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.671 -15.160 -16.044 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.548 -14.143 -14.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.517 -15.863 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.968 -15.322 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.081 -16.565 -15.020 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.980 -9.189 -13.107 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.158 -7.738 -13.400 1.00 0.00 C ATOM 1247 C LEU A 81 -9.081 -7.276 -14.384 1.00 0.00 C ATOM 1248 O LEU A 81 -8.098 -7.954 -14.607 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.041 -6.938 -12.100 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.704 -7.881 -10.944 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.279 -8.414 -11.117 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.805 -7.119 -9.622 1.00 0.00 C ATOM 0 H LEU A 81 -9.036 -9.465 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.142 -7.575 -13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.267 -6.177 -12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.977 -6.417 -11.896 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.405 -8.716 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.039 -9.086 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.205 -8.956 -12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.577 -7.580 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.565 -7.789 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.103 -6.285 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.819 -6.739 -9.498 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.257 -6.122 -14.970 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.243 -5.612 -15.935 1.00 0.00 C ATOM 1266 C LEU A 82 -7.470 -4.455 -15.297 1.00 0.00 C ATOM 1267 O LEU A 82 -8.032 -3.624 -14.610 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.944 -5.121 -17.204 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.429 -6.323 -18.015 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -10.551 -7.032 -17.256 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.954 -5.844 -19.370 1.00 0.00 C ATOM 0 H LEU A 82 -10.060 -5.511 -14.821 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.551 -6.414 -16.192 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.787 -4.481 -16.942 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.259 -4.518 -17.801 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.601 -7.015 -18.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.897 -7.889 -17.834 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.178 -7.373 -16.290 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.379 -6.341 -17.102 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.300 -6.700 -19.949 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.782 -5.152 -19.215 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.155 -5.338 -19.912 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.183 -4.397 -15.514 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.376 -3.297 -14.915 1.00 0.00 C ATOM 1285 C CYS A 83 -4.597 -2.569 -16.011 1.00 0.00 C ATOM 1286 O CYS A 83 -3.636 -3.083 -16.549 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.393 -3.884 -13.899 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.078 -2.684 -13.574 1.00 0.00 S ATOM 0 H CYS A 83 -5.657 -5.063 -16.080 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.042 -2.592 -14.418 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.913 -4.130 -12.973 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.968 -4.812 -14.282 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.274 -2.129 -12.415 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.997 -1.371 -16.339 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.270 -0.607 -17.390 1.00 0.00 C ATOM 1296 C PHE A 84 -3.215 0.276 -16.723 1.00 0.00 C ATOM 1297 O PHE A 84 -3.367 0.691 -15.590 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.254 0.268 -18.175 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.268 0.877 -17.235 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.226 0.067 -16.615 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.253 2.256 -16.989 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.168 0.634 -15.748 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.194 2.823 -16.122 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.152 2.013 -15.501 1.00 0.00 C ATOM 0 H PHE A 84 -5.795 -0.889 -15.925 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.789 -1.301 -18.079 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.714 1.056 -18.700 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.761 -0.330 -18.932 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.239 -0.996 -16.805 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.515 2.882 -17.469 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.907 0.008 -15.270 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.181 3.886 -15.932 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.878 2.451 -14.832 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.143 0.565 -17.409 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.083 1.418 -16.799 1.00 0.00 C ATOM 1316 C ASP A 85 -1.161 2.831 -17.379 1.00 0.00 C ATOM 1317 O ASP A 85 -1.569 3.029 -18.506 1.00 0.00 O ATOM 1318 CB ASP A 85 0.292 0.818 -17.095 1.00 0.00 C ATOM 1319 CG ASP A 85 0.200 -0.710 -17.087 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.178 -1.266 -18.105 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.506 -1.297 -16.062 1.00 0.00 O ATOM 0 H ASP A 85 -1.955 0.249 -18.361 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.234 1.463 -15.720 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.650 1.165 -18.064 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.014 1.153 -16.350 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.770 3.814 -16.615 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.818 5.216 -17.116 1.00 0.00 C ATOM 1328 C ALA A 86 0.531 5.893 -16.864 1.00 0.00 C ATOM 1329 O ALA A 86 1.148 5.705 -15.834 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.921 5.984 -16.380 1.00 0.00 C ATOM 0 H ALA A 86 -0.419 3.706 -15.664 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.029 5.213 -18.185 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.956 7.010 -16.746 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.882 5.501 -16.559 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.710 5.988 -15.311 1.00 0.00 H new ATOM 1336 N THR A 87 0.995 6.679 -17.797 1.00 0.00 N ATOM 1337 CA THR A 87 2.303 7.366 -17.608 1.00 0.00 C ATOM 1338 C THR A 87 2.119 8.875 -17.786 1.00 0.00 C ATOM 1339 O THR A 87 1.344 9.323 -18.608 1.00 0.00 O ATOM 1340 CB THR A 87 3.306 6.849 -18.645 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.618 6.085 -19.626 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.353 5.974 -17.954 1.00 0.00 C ATOM 0 H THR A 87 0.525 6.875 -18.681 1.00 0.00 H new ATOM 0 HA THR A 87 2.678 7.162 -16.605 1.00 0.00 H new ATOM 0 HB THR A 87 3.802 7.693 -19.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.257 5.755 -20.291 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.065 5.607 -18.693 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.880 6.562 -17.202 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.861 5.128 -17.474 1.00 0.00 H new ATOM 1350 N MET A 88 2.826 9.663 -17.023 1.00 0.00 N ATOM 1351 CA MET A 88 2.691 11.142 -17.149 1.00 0.00 C ATOM 1352 C MET A 88 4.023 11.808 -16.802 1.00 0.00 C ATOM 1353 O MET A 88 4.495 11.729 -15.684 1.00 0.00 O ATOM 1354 CB MET A 88 1.606 11.642 -16.192 1.00 0.00 C ATOM 1355 CG MET A 88 1.254 13.094 -16.525 1.00 0.00 C ATOM 1356 SD MET A 88 -0.511 13.217 -16.903 1.00 0.00 S ATOM 1357 CE MET A 88 -0.667 15.007 -16.695 1.00 0.00 C ATOM 0 H MET A 88 3.491 9.347 -16.318 1.00 0.00 H new ATOM 0 HA MET A 88 2.415 11.394 -18.173 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.718 11.015 -16.273 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.954 11.569 -15.162 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.502 13.741 -15.684 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.843 13.436 -17.376 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.698 15.307 -16.885 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.391 15.280 -15.677 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.006 15.514 -17.398 1.00 0.00 H new ATOM 1367 N GLN A 89 4.635 12.464 -17.750 1.00 0.00 N ATOM 1368 CA GLN A 89 5.935 13.135 -17.472 1.00 0.00 C ATOM 1369 C GLN A 89 5.685 14.420 -16.681 1.00 0.00 C ATOM 1370 O GLN A 89 4.815 15.203 -17.010 1.00 0.00 O ATOM 1371 CB GLN A 89 6.625 13.478 -18.796 1.00 0.00 C ATOM 1372 CG GLN A 89 7.643 12.389 -19.145 1.00 0.00 C ATOM 1373 CD GLN A 89 6.906 11.130 -19.608 1.00 0.00 C ATOM 1374 OE1 GLN A 89 6.230 11.146 -20.618 1.00 0.00 O ATOM 1375 NE2 GLN A 89 7.008 10.033 -18.908 1.00 0.00 N ATOM 0 H GLN A 89 4.290 12.564 -18.705 1.00 0.00 H new ATOM 0 HA GLN A 89 6.572 12.468 -16.892 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.885 13.565 -19.591 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.124 14.444 -18.718 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.313 12.741 -19.930 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.261 12.163 -18.276 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.575 10.020 -18.060 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.520 9.189 -19.209 1.00 0.00 H new ATOM 1384 N SER A 90 6.439 14.647 -15.642 1.00 0.00 N ATOM 1385 CA SER A 90 6.239 15.882 -14.834 1.00 0.00 C ATOM 1386 C SER A 90 7.422 16.066 -13.882 1.00 0.00 C ATOM 1387 O SER A 90 8.166 15.144 -13.612 1.00 0.00 O ATOM 1388 CB SER A 90 4.948 15.756 -14.024 1.00 0.00 C ATOM 1389 OG SER A 90 5.218 15.052 -12.819 1.00 0.00 O ATOM 0 H SER A 90 7.185 14.031 -15.318 1.00 0.00 H new ATOM 0 HA SER A 90 6.170 16.744 -15.498 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.548 16.745 -13.800 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.190 15.230 -14.605 1.00 0.00 H new ATOM 0 HG SER A 90 4.798 14.167 -12.856 1.00 0.00 H new ATOM 1395 N ALA A 91 7.603 17.254 -13.370 1.00 0.00 N ATOM 1396 CA ALA A 91 8.737 17.497 -12.436 1.00 0.00 C ATOM 1397 C ALA A 91 8.496 16.733 -11.131 1.00 0.00 C ATOM 1398 O ALA A 91 7.417 16.762 -10.575 1.00 0.00 O ATOM 1399 CB ALA A 91 8.840 18.995 -12.139 1.00 0.00 C ATOM 0 H ALA A 91 7.014 18.065 -13.559 1.00 0.00 H new ATOM 0 HA ALA A 91 9.665 17.152 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.670 19.174 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.011 19.539 -13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.912 19.340 -11.682 1.00 0.00 H new ATOM 1405 N LEU A 92 9.493 16.048 -10.639 1.00 0.00 N ATOM 1406 CA LEU A 92 9.318 15.283 -9.371 1.00 0.00 C ATOM 1407 C LEU A 92 9.098 16.260 -8.215 1.00 0.00 C ATOM 1408 O LEU A 92 10.022 16.630 -7.518 1.00 0.00 O ATOM 1409 CB LEU A 92 10.571 14.446 -9.102 1.00 0.00 C ATOM 1410 CG LEU A 92 10.377 13.628 -7.822 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.252 12.145 -8.178 1.00 0.00 C ATOM 1412 CD2 LEU A 92 11.582 13.829 -6.900 1.00 0.00 C ATOM 0 H LEU A 92 10.420 15.985 -11.060 1.00 0.00 H new ATOM 0 HA LEU A 92 8.455 14.624 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.765 13.782 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.440 15.096 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 92 9.471 13.959 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.114 11.563 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.395 12.000 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.158 11.815 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.444 13.247 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.488 13.499 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.673 14.885 -6.646 1.00 0.00 H new ATOM 1424 N ASP A 93 7.882 16.682 -8.004 1.00 0.00 N ATOM 1425 CA ASP A 93 7.607 17.635 -6.893 1.00 0.00 C ATOM 1426 C ASP A 93 6.387 17.159 -6.101 1.00 0.00 C ATOM 1427 O ASP A 93 5.332 16.918 -6.653 1.00 0.00 O ATOM 1428 CB ASP A 93 7.328 19.025 -7.468 1.00 0.00 C ATOM 1429 CG ASP A 93 8.605 19.864 -7.416 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.883 20.422 -6.367 1.00 0.00 O ATOM 1431 OD2 ASP A 93 9.285 19.937 -8.427 1.00 0.00 O ATOM 0 H ASP A 93 7.067 16.408 -8.553 1.00 0.00 H new ATOM 0 HA ASP A 93 8.474 17.681 -6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.977 18.941 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.536 19.513 -6.900 1.00 0.00 H new ATOM 1436 N ALA A 94 6.522 17.020 -4.810 1.00 0.00 N ATOM 1437 CA ALA A 94 5.369 16.562 -3.986 1.00 0.00 C ATOM 1438 C ALA A 94 4.114 17.336 -4.391 1.00 0.00 C ATOM 1439 O ALA A 94 3.132 16.764 -4.817 1.00 0.00 O ATOM 1440 CB ALA A 94 5.668 16.812 -2.506 1.00 0.00 C ATOM 0 H ALA A 94 7.381 17.204 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 94 5.207 15.496 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.824 16.477 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.562 16.260 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.830 17.877 -2.343 1.00 0.00 H new ATOM 1446 N LYS A 95 4.139 18.634 -4.263 1.00 0.00 N ATOM 1447 CA LYS A 95 2.946 19.442 -4.642 1.00 0.00 C ATOM 1448 C LYS A 95 2.398 18.946 -5.982 1.00 0.00 C ATOM 1449 O LYS A 95 1.215 18.715 -6.134 1.00 0.00 O ATOM 1450 CB LYS A 95 3.349 20.914 -4.766 1.00 0.00 C ATOM 1451 CG LYS A 95 2.721 21.715 -3.625 1.00 0.00 C ATOM 1452 CD LYS A 95 1.204 21.778 -3.819 1.00 0.00 C ATOM 1453 CE LYS A 95 0.663 23.072 -3.210 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.066 24.228 -4.059 1.00 0.00 N ATOM 0 H LYS A 95 4.933 19.170 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 95 2.177 19.339 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.434 21.008 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.021 21.312 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.957 21.250 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.137 22.722 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.961 21.734 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.731 20.917 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.423 23.024 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.048 23.199 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.375 24.997 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.006 24.563 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.099 23.932 -5.055 1.00 0.00 H new ATOM 1468 N LEU A 96 3.249 18.783 -6.958 1.00 0.00 N ATOM 1469 CA LEU A 96 2.775 18.305 -8.289 1.00 0.00 C ATOM 1470 C LEU A 96 2.088 16.946 -8.133 1.00 0.00 C ATOM 1471 O LEU A 96 0.951 16.766 -8.523 1.00 0.00 O ATOM 1472 CB LEU A 96 3.971 18.163 -9.233 1.00 0.00 C ATOM 1473 CG LEU A 96 3.903 19.244 -10.313 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.238 20.603 -9.696 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.911 18.922 -11.417 1.00 0.00 C ATOM 0 H LEU A 96 4.251 18.960 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 96 2.066 19.024 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.902 18.252 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.969 17.175 -9.693 1.00 0.00 H new ATOM 0 HG LEU A 96 2.898 19.275 -10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.190 21.374 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.521 20.832 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.243 20.574 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.864 19.691 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.916 18.892 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.673 17.953 -11.856 1.00 0.00 H new ATOM 1487 N ILE A 97 2.771 15.988 -7.572 1.00 0.00 N ATOM 1488 CA ILE A 97 2.161 14.639 -7.399 1.00 0.00 C ATOM 1489 C ILE A 97 0.866 14.756 -6.592 1.00 0.00 C ATOM 1490 O ILE A 97 -0.001 13.908 -6.670 1.00 0.00 O ATOM 1491 CB ILE A 97 3.145 13.730 -6.662 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.487 13.736 -7.398 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.595 12.303 -6.621 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.550 13.061 -6.529 1.00 0.00 C ATOM 0 H ILE A 97 3.726 16.080 -7.225 1.00 0.00 H new ATOM 0 HA ILE A 97 1.935 14.215 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 97 3.282 14.094 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.394 13.212 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.784 14.760 -7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.298 11.657 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.637 12.297 -6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.457 11.937 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.505 13.066 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.650 13.604 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.253 12.032 -6.325 1.00 0.00 H new ATOM 1506 N ASP A 98 0.724 15.797 -5.818 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.518 15.960 -5.013 1.00 0.00 C ATOM 1508 C ASP A 98 -1.699 16.224 -5.949 1.00 0.00 C ATOM 1509 O ASP A 98 -2.695 15.530 -5.919 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.356 17.139 -4.049 1.00 0.00 C ATOM 1511 CG ASP A 98 0.878 16.916 -3.173 1.00 0.00 C ATOM 1512 OD1 ASP A 98 1.395 15.811 -3.183 1.00 0.00 O ATOM 1513 OD2 ASP A 98 1.284 17.853 -2.506 1.00 0.00 O ATOM 0 H ASP A 98 1.414 16.540 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.701 15.050 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.255 18.069 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.245 17.238 -3.426 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.595 17.222 -6.784 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.711 17.525 -7.724 1.00 0.00 C ATOM 1520 C GLU A 99 -2.837 16.394 -8.747 1.00 0.00 C ATOM 1521 O GLU A 99 -3.921 16.039 -9.165 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.423 18.841 -8.452 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.913 20.017 -7.603 1.00 0.00 C ATOM 1524 CD GLU A 99 -3.004 21.272 -8.474 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -2.693 21.177 -9.650 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -3.382 22.307 -7.948 1.00 0.00 O ATOM 0 H GLU A 99 -0.786 17.840 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.642 17.615 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.354 18.937 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.920 18.848 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.888 19.788 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.230 20.188 -6.771 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.735 15.824 -9.153 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.792 14.716 -10.147 1.00 0.00 C ATOM 1535 C GLN A 100 -2.613 13.560 -9.574 1.00 0.00 C ATOM 1536 O GLN A 100 -3.524 13.059 -10.203 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.372 14.231 -10.455 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.059 14.467 -11.934 1.00 0.00 C ATOM 1539 CD GLN A 100 1.443 14.304 -12.172 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.872 13.348 -12.788 1.00 0.00 O ATOM 1541 NE2 GLN A 100 2.266 15.203 -11.707 1.00 0.00 N ATOM 0 H GLN A 100 -0.798 16.078 -8.839 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.259 15.075 -11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.348 14.761 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.279 13.171 -10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.614 13.760 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.378 15.467 -12.229 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.906 16.005 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.270 15.104 -11.860 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.296 13.133 -8.383 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.054 12.010 -7.767 1.00 0.00 C ATOM 1552 C VAL A 101 -4.506 12.434 -7.540 1.00 0.00 C ATOM 1553 O VAL A 101 -5.430 11.697 -7.823 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.412 11.639 -6.430 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.251 10.564 -5.739 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.000 11.103 -6.676 1.00 0.00 C ATOM 0 H VAL A 101 -1.544 13.514 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.032 11.147 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.362 12.523 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.792 10.301 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.257 10.944 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.303 9.679 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.540 10.838 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.052 10.220 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.400 11.869 -7.167 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.717 13.619 -7.032 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.110 14.087 -6.791 1.00 0.00 C ATOM 1568 C GLU A 102 -6.902 14.026 -8.099 1.00 0.00 C ATOM 1569 O GLU A 102 -8.103 13.840 -8.100 1.00 0.00 O ATOM 1570 CB GLU A 102 -6.082 15.530 -6.279 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.449 15.893 -5.695 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.329 17.183 -4.881 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.520 17.210 -3.969 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.047 18.121 -5.185 1.00 0.00 O ATOM 0 H GLU A 102 -3.985 14.281 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.585 13.446 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.309 15.642 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.830 16.211 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.176 16.022 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.813 15.083 -5.062 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.241 14.182 -9.212 1.00 0.00 N ATOM 1582 CA LYS A 103 -6.957 14.134 -10.517 1.00 0.00 C ATOM 1583 C LYS A 103 -7.365 12.692 -10.824 1.00 0.00 C ATOM 1584 O LYS A 103 -8.488 12.422 -11.205 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.035 14.649 -11.624 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.169 16.170 -11.733 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.357 16.671 -12.931 1.00 0.00 C ATOM 1588 CE LYS A 103 -4.268 17.630 -12.446 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.903 18.818 -11.809 1.00 0.00 N ATOM 0 H LYS A 103 -5.235 14.341 -9.274 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.848 14.760 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.002 14.379 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.293 14.181 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.217 16.446 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.815 16.643 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.907 15.829 -13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.011 17.177 -13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.616 17.126 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.644 17.943 -13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.307 19.656 -11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.841 18.977 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.004 18.652 -10.787 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.464 11.762 -10.664 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.806 10.339 -10.948 1.00 0.00 C ATOM 1605 C LEU A 104 -7.815 9.840 -9.913 1.00 0.00 C ATOM 1606 O LEU A 104 -8.728 9.104 -10.228 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.539 9.485 -10.880 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.566 9.932 -11.972 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.254 9.158 -11.836 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.181 9.656 -13.345 1.00 0.00 C ATOM 0 H LEU A 104 -5.507 11.925 -10.350 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.241 10.263 -11.945 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.073 9.584 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.789 8.432 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.369 10.999 -11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.561 9.477 -12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.816 9.354 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.449 8.091 -11.939 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.489 9.974 -14.124 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.378 8.589 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.116 10.208 -13.443 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.659 10.236 -8.679 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.613 9.785 -7.628 1.00 0.00 C ATOM 1624 C VAL A 105 -9.991 10.390 -7.905 1.00 0.00 C ATOM 1625 O VAL A 105 -11.010 9.760 -7.697 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.119 10.245 -6.255 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.266 10.168 -5.246 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.976 9.336 -5.794 1.00 0.00 C ATOM 0 H VAL A 105 -6.913 10.851 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.682 8.697 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.764 11.273 -6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.913 10.496 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.082 10.813 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.622 9.140 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.623 9.663 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.333 8.308 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.157 9.389 -6.511 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.032 11.607 -8.378 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.343 12.248 -8.673 1.00 0.00 C ATOM 1640 C ASN A 106 -12.026 11.498 -9.819 1.00 0.00 C ATOM 1641 O ASN A 106 -13.115 10.979 -9.673 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.118 13.707 -9.081 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.192 14.602 -7.842 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.021 15.486 -7.766 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.353 14.409 -6.861 1.00 0.00 N ATOM 0 H ASN A 106 -9.213 12.184 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.974 12.213 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.146 13.815 -9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.870 14.012 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.394 15.001 -6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.656 13.667 -6.924 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.391 11.432 -10.957 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.998 10.710 -12.111 1.00 0.00 C ATOM 1654 C LEU A 107 -12.271 9.260 -11.708 1.00 0.00 C ATOM 1655 O LEU A 107 -13.248 8.662 -12.118 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.026 10.740 -13.294 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.639 9.996 -14.485 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -12.187 11.008 -15.492 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.564 9.140 -15.156 1.00 0.00 C ATOM 0 H LEU A 107 -10.477 11.847 -11.138 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.933 11.191 -12.398 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.807 11.771 -13.571 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.080 10.278 -13.012 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.450 9.356 -14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.623 10.479 -16.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.952 11.620 -15.014 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.377 11.648 -15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.998 8.610 -16.004 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.754 9.781 -15.505 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.173 8.419 -14.438 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.412 8.688 -10.911 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.616 7.275 -10.485 1.00 0.00 C ATOM 1673 C ALA A 108 -12.883 7.170 -9.632 1.00 0.00 C ATOM 1674 O ALA A 108 -13.795 6.434 -9.950 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.409 6.813 -9.666 1.00 0.00 C ATOM 0 H ALA A 108 -10.577 9.138 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.723 6.643 -11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.556 5.779 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.508 6.883 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.302 7.447 -8.786 1.00 0.00 H new ATOM 1681 N GLU A 109 -12.945 7.894 -8.549 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.152 7.826 -7.676 1.00 0.00 C ATOM 1683 C GLU A 109 -15.382 8.293 -8.456 1.00 0.00 C ATOM 1684 O GLU A 109 -16.504 8.008 -8.088 1.00 0.00 O ATOM 1685 CB GLU A 109 -13.951 8.725 -6.454 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.357 7.968 -5.188 1.00 0.00 C ATOM 1687 CD GLU A 109 -15.876 7.795 -5.159 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -16.562 8.788 -4.982 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -16.328 6.673 -5.315 1.00 0.00 O ATOM 0 H GLU A 109 -12.213 8.529 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.302 6.797 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.908 9.035 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.547 9.632 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.869 6.994 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.026 8.513 -4.304 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.184 9.011 -9.527 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.348 9.493 -10.321 1.00 0.00 C ATOM 1698 C LYS A 110 -16.828 8.383 -11.257 1.00 0.00 C ATOM 1699 O LYS A 110 -17.968 8.367 -11.678 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.935 10.712 -11.150 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.165 11.291 -11.856 1.00 0.00 C ATOM 1702 CD LYS A 110 -17.384 12.739 -11.408 1.00 0.00 C ATOM 1703 CE LYS A 110 -18.817 13.165 -11.734 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.426 12.188 -12.681 1.00 0.00 N ATOM 0 H LYS A 110 -14.269 9.284 -9.886 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.155 9.770 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.483 11.467 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.182 10.427 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.028 11.251 -12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -18.045 10.691 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.201 12.831 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.675 13.397 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.408 13.218 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.820 14.163 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.304 12.585 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.759 11.993 -13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.640 11.303 -12.177 1.00 0.00 H new ATOM 1718 N PHE A 111 -15.972 7.458 -11.594 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.391 6.358 -12.509 1.00 0.00 C ATOM 1720 C PHE A 111 -16.724 5.104 -11.697 1.00 0.00 C ATOM 1721 O PHE A 111 -17.875 4.780 -11.483 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.255 6.048 -13.486 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.580 6.639 -14.838 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.780 6.304 -15.476 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.684 7.522 -15.451 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.085 6.852 -16.728 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.988 8.070 -16.702 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.188 7.735 -17.341 1.00 0.00 C ATOM 0 H PHE A 111 -15.003 7.416 -11.277 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.276 6.670 -13.064 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.317 6.460 -13.113 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.118 4.970 -13.572 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.471 5.622 -15.002 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.758 7.780 -14.959 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -18.011 6.594 -17.220 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.297 8.752 -17.175 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.422 8.158 -18.307 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.728 4.392 -11.245 1.00 0.00 N ATOM 1739 CA ASP A 112 -15.996 3.159 -10.450 1.00 0.00 C ATOM 1740 C ASP A 112 -14.737 2.289 -10.414 1.00 0.00 C ATOM 1741 O ASP A 112 -14.808 1.076 -10.453 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.139 2.374 -11.098 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.444 2.660 -10.352 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.493 3.655 -9.646 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.371 1.882 -10.500 1.00 0.00 O ATOM 0 H ASP A 112 -14.742 4.610 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.274 3.436 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.238 2.655 -12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.920 1.306 -11.073 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.587 2.898 -10.339 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.326 2.105 -10.297 1.00 0.00 C ATOM 1752 C ILE A 113 -11.575 2.423 -9.003 1.00 0.00 C ATOM 1753 O ILE A 113 -11.951 3.306 -8.258 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.452 2.471 -11.498 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.192 3.979 -11.495 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.170 2.083 -12.793 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.404 4.367 -12.748 1.00 0.00 C ATOM 0 H ILE A 113 -13.465 3.910 -10.305 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.561 1.041 -10.333 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.505 1.935 -11.434 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.137 4.521 -11.465 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.635 4.260 -10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.546 2.345 -13.647 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.359 1.010 -12.797 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.117 2.618 -12.858 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.220 5.441 -12.744 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.452 3.836 -12.758 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.978 4.101 -13.636 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.516 1.712 -8.727 1.00 0.00 N ATOM 1770 CA ILE A 114 -9.747 1.980 -7.478 1.00 0.00 C ATOM 1771 C ILE A 114 -8.369 2.535 -7.836 1.00 0.00 C ATOM 1772 O ILE A 114 -7.696 2.034 -8.716 1.00 0.00 O ATOM 1773 CB ILE A 114 -9.582 0.682 -6.687 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.817 0.973 -5.393 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -8.799 -0.330 -7.527 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -8.386 -0.342 -4.741 1.00 0.00 C ATOM 0 H ILE A 114 -10.151 0.959 -9.310 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.287 2.707 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.563 0.272 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.943 1.588 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.446 1.541 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.681 -1.256 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -9.341 -0.533 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.817 0.078 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -7.842 -0.131 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.268 -0.941 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -7.741 -0.893 -5.425 1.00 0.00 H new ATOM 1788 N TYR A 115 -7.940 3.564 -7.161 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.604 4.147 -7.461 1.00 0.00 C ATOM 1790 C TYR A 115 -5.628 3.787 -6.338 1.00 0.00 C ATOM 1791 O TYR A 115 -5.488 4.508 -5.370 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.721 5.668 -7.567 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.358 6.287 -7.380 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.447 6.309 -8.442 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.004 6.836 -6.142 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.182 6.879 -8.266 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.739 7.407 -5.966 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.827 7.429 -7.028 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.579 7.991 -6.855 1.00 0.00 O ATOM 0 H TYR A 115 -8.458 4.027 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.237 3.746 -8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.129 5.946 -8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.411 6.045 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.721 5.886 -9.397 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.707 6.819 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.479 6.895 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.466 7.831 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.102 7.516 -6.143 1.00 0.00 H new ATOM 1809 N ASP A 116 -4.955 2.676 -6.457 1.00 0.00 N ATOM 1810 CA ASP A 116 -3.993 2.272 -5.394 1.00 0.00 C ATOM 1811 C ASP A 116 -2.809 1.538 -6.027 1.00 0.00 C ATOM 1812 O ASP A 116 -2.725 0.327 -5.983 1.00 0.00 O ATOM 1813 CB ASP A 116 -4.694 1.345 -4.399 1.00 0.00 C ATOM 1814 CG ASP A 116 -3.759 1.052 -3.225 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -2.700 1.656 -3.170 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.117 0.227 -2.399 1.00 0.00 O ATOM 0 H ASP A 116 -5.030 2.031 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.633 3.160 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.612 1.809 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.979 0.415 -4.891 1.00 0.00 H new ATOM 1821 N GLY A 117 -1.891 2.260 -6.612 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.716 1.594 -7.242 1.00 0.00 C ATOM 1823 C GLY A 117 0.085 2.612 -8.057 1.00 0.00 C ATOM 1824 O GLY A 117 0.219 2.490 -9.259 1.00 0.00 O ATOM 0 H GLY A 117 -1.904 3.278 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.083 1.151 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.050 0.781 -7.887 1.00 0.00 H new ATOM 1828 N TRP A 118 0.625 3.613 -7.415 1.00 0.00 N ATOM 1829 CA TRP A 118 1.422 4.628 -8.158 1.00 0.00 C ATOM 1830 C TRP A 118 2.891 4.518 -7.740 1.00 0.00 C ATOM 1831 O TRP A 118 3.216 3.905 -6.743 1.00 0.00 O ATOM 1832 CB TRP A 118 0.886 6.031 -7.842 1.00 0.00 C ATOM 1833 CG TRP A 118 1.669 6.641 -6.722 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.292 6.646 -5.422 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.950 7.333 -6.779 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.260 7.297 -4.678 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.302 7.739 -5.470 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.831 7.646 -7.830 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.486 8.431 -5.213 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.024 8.341 -7.575 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.351 8.733 -6.268 1.00 0.00 C ATOM 0 H TRP A 118 0.548 3.771 -6.410 1.00 0.00 H new ATOM 0 HA TRP A 118 1.340 4.452 -9.231 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.952 6.662 -8.728 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.168 5.973 -7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.384 6.213 -5.030 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.210 7.434 -3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.588 7.350 -8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.732 8.731 -4.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.694 8.575 -8.389 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.270 9.267 -6.078 1.00 0.00 H new ATOM 1852 N GLY A 119 3.781 5.107 -8.490 1.00 0.00 N ATOM 1853 CA GLY A 119 5.224 5.030 -8.123 1.00 0.00 C ATOM 1854 C GLY A 119 6.081 5.539 -9.284 1.00 0.00 C ATOM 1855 O GLY A 119 5.646 5.585 -10.418 1.00 0.00 O ATOM 0 H GLY A 119 3.574 5.636 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.414 5.626 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.494 4.001 -7.883 1.00 0.00 H new ATOM 1859 N THR A 120 7.297 5.923 -9.007 1.00 0.00 N ATOM 1860 CA THR A 120 8.187 6.431 -10.089 1.00 0.00 C ATOM 1861 C THR A 120 9.385 5.490 -10.245 1.00 0.00 C ATOM 1862 O THR A 120 9.645 4.658 -9.400 1.00 0.00 O ATOM 1863 CB THR A 120 8.684 7.831 -9.721 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.842 8.137 -10.484 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.026 7.878 -8.230 1.00 0.00 C ATOM 0 H THR A 120 7.713 5.907 -8.076 1.00 0.00 H new ATOM 0 HA THR A 120 7.634 6.475 -11.027 1.00 0.00 H new ATOM 0 HB THR A 120 7.904 8.561 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.283 8.926 -10.107 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.380 8.875 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.136 7.644 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.806 7.148 -8.012 1.00 0.00 H new ATOM 1873 N TYR A 121 10.119 5.617 -11.317 1.00 0.00 N ATOM 1874 CA TYR A 121 11.299 4.731 -11.519 1.00 0.00 C ATOM 1875 C TYR A 121 12.538 5.586 -11.790 1.00 0.00 C ATOM 1876 O TYR A 121 12.440 6.725 -12.202 1.00 0.00 O ATOM 1877 CB TYR A 121 11.047 3.802 -12.709 1.00 0.00 C ATOM 1878 CG TYR A 121 11.481 2.400 -12.351 1.00 0.00 C ATOM 1879 CD1 TYR A 121 12.820 2.022 -12.505 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.546 1.479 -11.865 1.00 0.00 C ATOM 1881 CE1 TYR A 121 13.225 0.723 -12.170 1.00 0.00 C ATOM 1882 CE2 TYR A 121 10.949 0.180 -11.531 1.00 0.00 C ATOM 1883 CZ TYR A 121 12.288 -0.197 -11.684 1.00 0.00 C ATOM 1884 OH TYR A 121 12.686 -1.478 -11.354 1.00 0.00 O ATOM 0 H TYR A 121 9.952 6.295 -12.060 1.00 0.00 H new ATOM 0 HA TYR A 121 11.460 4.132 -10.622 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.990 3.811 -12.974 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.597 4.153 -13.582 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.541 2.732 -12.882 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.513 1.770 -11.747 1.00 0.00 H new ATOM 0 HE1 TYR A 121 14.258 0.432 -12.287 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.227 -0.530 -11.156 1.00 0.00 H new ATOM 0 HH TYR A 121 11.914 -1.988 -11.032 1.00 0.00 H new