USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=13 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 88 MET CE :methyl 180:sc= -0.0395 (180deg=-0.0395) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.76 K(o=-1.8,f=-5.4!) USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0.813 K(o=0.59,f=-2.6) USER MOD Set 2.2: A 115 TYR OH : rot 87:sc= -0.221 USER MOD Single : A 17 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.0079) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -2.39! (180deg=-3.14!) USER MOD Single : A 21 THR OG1 : rot -100:sc= 1.37 USER MOD Single : A 26 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.374 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 44 HIS : no HD1:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc=-0.00283 (180deg=-0.127) USER MOD Single : A 63 MET CE :methyl 180:sc= -0.0273 (180deg=-0.0273) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0545 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 89 GLN : amide:sc= -3.44! C(o=-3.4!,f=-5.8!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0641 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -2.4! (180deg=-2.87!) USER MOD Single : A 106 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.612 11.366 1.883 1.00 0.00 N ATOM 157 CA GLU A 11 -9.515 12.183 2.472 1.00 0.00 C ATOM 158 C GLU A 11 -8.441 11.255 3.041 1.00 0.00 C ATOM 159 O GLU A 11 -7.306 11.266 2.607 1.00 0.00 O ATOM 160 CB GLU A 11 -10.076 13.063 3.591 1.00 0.00 C ATOM 161 CG GLU A 11 -9.242 14.341 3.701 1.00 0.00 C ATOM 162 CD GLU A 11 -9.600 15.286 2.552 1.00 0.00 C ATOM 163 OE1 GLU A 11 -10.657 15.103 1.970 1.00 0.00 O ATOM 164 OE2 GLU A 11 -8.812 16.175 2.274 1.00 0.00 O ATOM 0 HA GLU A 11 -9.078 12.816 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.117 13.312 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.059 12.522 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.429 14.828 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.180 14.098 3.669 1.00 0.00 H new ATOM 171 N GLU A 12 -8.787 10.449 4.008 1.00 0.00 N ATOM 172 CA GLU A 12 -7.780 9.523 4.597 1.00 0.00 C ATOM 173 C GLU A 12 -6.917 8.946 3.473 1.00 0.00 C ATOM 174 O GLU A 12 -5.748 8.668 3.654 1.00 0.00 O ATOM 175 CB GLU A 12 -8.496 8.393 5.346 1.00 0.00 C ATOM 176 CG GLU A 12 -8.711 7.199 4.414 1.00 0.00 C ATOM 177 CD GLU A 12 -7.408 6.406 4.290 1.00 0.00 C ATOM 178 OE1 GLU A 12 -6.748 6.230 5.300 1.00 0.00 O ATOM 179 OE2 GLU A 12 -7.093 5.988 3.188 1.00 0.00 O ATOM 0 H GLU A 12 -9.721 10.392 4.414 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.145 10.063 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.906 8.088 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.455 8.747 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.503 6.559 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.034 7.544 3.432 1.00 0.00 H new ATOM 186 N LEU A 13 -7.483 8.772 2.310 1.00 0.00 N ATOM 187 CA LEU A 13 -6.696 8.224 1.172 1.00 0.00 C ATOM 188 C LEU A 13 -5.657 9.260 0.743 1.00 0.00 C ATOM 189 O LEU A 13 -4.467 9.016 0.776 1.00 0.00 O ATOM 190 CB LEU A 13 -7.634 7.926 0.000 1.00 0.00 C ATOM 191 CG LEU A 13 -8.241 6.532 0.167 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.728 6.577 -0.190 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.525 5.550 -0.762 1.00 0.00 C ATOM 0 H LEU A 13 -8.458 8.986 2.100 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.197 7.304 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.425 8.675 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.086 7.984 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.124 6.207 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.161 5.584 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.240 7.277 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.844 6.902 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.957 4.556 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.642 5.876 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.465 5.517 -0.510 1.00 0.00 H new ATOM 205 N ILE A 14 -6.100 10.422 0.347 1.00 0.00 N ATOM 206 CA ILE A 14 -5.145 11.482 -0.076 1.00 0.00 C ATOM 207 C ILE A 14 -4.118 11.708 1.036 1.00 0.00 C ATOM 208 O ILE A 14 -2.962 11.979 0.782 1.00 0.00 O ATOM 209 CB ILE A 14 -5.910 12.782 -0.330 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.559 12.732 -1.716 1.00 0.00 C ATOM 211 CG2 ILE A 14 -4.943 13.966 -0.263 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.761 13.679 -1.752 1.00 0.00 C ATOM 0 H ILE A 14 -7.085 10.682 0.299 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.636 11.174 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.683 12.901 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.835 13.018 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.877 11.715 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.489 14.892 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.482 14.004 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.169 13.847 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.223 13.643 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.488 13.373 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.429 14.696 -1.543 1.00 0.00 H new ATOM 224 N GLU A 15 -4.537 11.597 2.266 1.00 0.00 N ATOM 225 CA GLU A 15 -3.593 11.806 3.401 1.00 0.00 C ATOM 226 C GLU A 15 -2.467 10.772 3.329 1.00 0.00 C ATOM 227 O GLU A 15 -1.312 11.110 3.171 1.00 0.00 O ATOM 228 CB GLU A 15 -4.344 11.645 4.724 1.00 0.00 C ATOM 229 CG GLU A 15 -4.873 13.004 5.184 1.00 0.00 C ATOM 230 CD GLU A 15 -3.940 13.578 6.253 1.00 0.00 C ATOM 231 OE1 GLU A 15 -3.995 13.103 7.375 1.00 0.00 O ATOM 232 OE2 GLU A 15 -3.185 14.480 5.929 1.00 0.00 O ATOM 0 H GLU A 15 -5.494 11.370 2.535 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.170 12.809 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.170 10.945 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.681 11.227 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.937 13.687 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.881 12.897 5.585 1.00 0.00 H new ATOM 239 N ILE A 16 -2.795 9.516 3.451 1.00 0.00 N ATOM 240 CA ILE A 16 -1.742 8.463 3.396 1.00 0.00 C ATOM 241 C ILE A 16 -0.924 8.615 2.112 1.00 0.00 C ATOM 242 O ILE A 16 0.270 8.832 2.147 1.00 0.00 O ATOM 243 CB ILE A 16 -2.400 7.084 3.421 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.081 6.870 4.775 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.336 6.004 3.211 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.146 5.779 4.645 1.00 0.00 C ATOM 0 H ILE A 16 -3.746 9.173 3.586 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.082 8.569 4.257 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.142 7.022 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.343 6.584 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.537 7.800 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.807 5.021 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.849 6.155 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.593 6.065 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.631 5.627 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.890 6.083 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.677 4.849 4.324 1.00 0.00 H new ATOM 258 N GLN A 17 -1.556 8.499 0.976 1.00 0.00 N ATOM 259 CA GLN A 17 -0.811 8.633 -0.308 1.00 0.00 C ATOM 260 C GLN A 17 0.103 9.860 -0.248 1.00 0.00 C ATOM 261 O GLN A 17 1.270 9.792 -0.576 1.00 0.00 O ATOM 262 CB GLN A 17 -1.806 8.792 -1.462 1.00 0.00 C ATOM 263 CG GLN A 17 -2.338 7.416 -1.870 1.00 0.00 C ATOM 264 CD GLN A 17 -1.425 6.810 -2.937 1.00 0.00 C ATOM 265 OE1 GLN A 17 -1.308 7.338 -4.025 1.00 0.00 O ATOM 266 NE2 GLN A 17 -0.768 5.714 -2.671 1.00 0.00 N ATOM 0 H GLN A 17 -2.555 8.317 0.882 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.206 7.741 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.631 9.437 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.320 9.273 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.384 6.760 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.354 7.507 -2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.865 5.270 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.157 5.302 -3.376 1.00 0.00 H new ATOM 275 N LYS A 18 -0.419 10.982 0.168 1.00 0.00 N ATOM 276 CA LYS A 18 0.421 12.212 0.248 1.00 0.00 C ATOM 277 C LYS A 18 1.596 11.971 1.198 1.00 0.00 C ATOM 278 O LYS A 18 2.745 12.104 0.827 1.00 0.00 O ATOM 279 CB LYS A 18 -0.426 13.373 0.772 1.00 0.00 C ATOM 280 CG LYS A 18 0.329 14.690 0.572 1.00 0.00 C ATOM 281 CD LYS A 18 -0.672 15.822 0.327 1.00 0.00 C ATOM 282 CE LYS A 18 -1.704 15.846 1.456 1.00 0.00 C ATOM 283 NZ LYS A 18 -1.026 15.579 2.756 1.00 0.00 N ATOM 0 H LYS A 18 -1.390 11.100 0.456 1.00 0.00 H new ATOM 0 HA LYS A 18 0.801 12.455 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.381 13.406 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.648 13.226 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.935 14.911 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.012 14.605 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.151 16.778 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.170 15.680 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.203 16.815 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.474 15.096 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.600 15.965 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.914 14.553 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.090 16.033 2.759 1.00 0.00 H new ATOM 297 N GLU A 19 1.316 11.620 2.424 1.00 0.00 N ATOM 298 CA GLU A 19 2.414 11.372 3.400 1.00 0.00 C ATOM 299 C GLU A 19 3.436 10.410 2.789 1.00 0.00 C ATOM 300 O GLU A 19 4.579 10.759 2.573 1.00 0.00 O ATOM 301 CB GLU A 19 1.834 10.757 4.675 1.00 0.00 C ATOM 302 CG GLU A 19 2.959 10.500 5.678 1.00 0.00 C ATOM 303 CD GLU A 19 2.865 11.509 6.824 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.637 12.674 6.543 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.021 11.098 7.963 1.00 0.00 O ATOM 0 H GLU A 19 0.373 11.494 2.792 1.00 0.00 H new ATOM 0 HA GLU A 19 2.904 12.315 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.092 11.427 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.322 9.824 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.888 9.484 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.927 10.585 5.184 1.00 0.00 H new ATOM 312 N GLU A 20 3.033 9.201 2.511 1.00 0.00 N ATOM 313 CA GLU A 20 3.982 8.218 1.915 1.00 0.00 C ATOM 314 C GLU A 20 4.831 8.908 0.846 1.00 0.00 C ATOM 315 O GLU A 20 6.024 9.074 1.000 1.00 0.00 O ATOM 316 CB GLU A 20 3.194 7.070 1.280 1.00 0.00 C ATOM 317 CG GLU A 20 4.162 5.983 0.810 1.00 0.00 C ATOM 318 CD GLU A 20 3.419 4.990 -0.085 1.00 0.00 C ATOM 319 OE1 GLU A 20 2.270 4.702 0.208 1.00 0.00 O ATOM 320 OE2 GLU A 20 4.012 4.532 -1.048 1.00 0.00 O ATOM 0 H GLU A 20 2.088 8.851 2.670 1.00 0.00 H new ATOM 0 HA GLU A 20 4.634 7.824 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.489 6.657 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.609 7.439 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.991 6.432 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.589 5.466 1.669 1.00 0.00 H new ATOM 327 N THR A 21 4.227 9.310 -0.238 1.00 0.00 N ATOM 328 CA THR A 21 5.002 9.987 -1.316 1.00 0.00 C ATOM 329 C THR A 21 5.996 10.968 -0.694 1.00 0.00 C ATOM 330 O THR A 21 7.196 10.806 -0.806 1.00 0.00 O ATOM 331 CB THR A 21 4.043 10.749 -2.234 1.00 0.00 C ATOM 332 OG1 THR A 21 3.100 9.842 -2.787 1.00 0.00 O ATOM 333 CG2 THR A 21 4.836 11.414 -3.361 1.00 0.00 C ATOM 0 H THR A 21 3.230 9.199 -0.424 1.00 0.00 H new ATOM 0 HA THR A 21 5.544 9.239 -1.895 1.00 0.00 H new ATOM 0 HB THR A 21 3.519 11.514 -1.661 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.371 9.604 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.153 11.957 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.560 12.109 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.360 10.651 -3.937 1.00 0.00 H new ATOM 341 N ARG A 22 5.509 11.989 -0.041 1.00 0.00 N ATOM 342 CA ARG A 22 6.428 12.982 0.585 1.00 0.00 C ATOM 343 C ARG A 22 7.678 12.267 1.104 1.00 0.00 C ATOM 344 O ARG A 22 8.771 12.796 1.061 1.00 0.00 O ATOM 345 CB ARG A 22 5.715 13.679 1.749 1.00 0.00 C ATOM 346 CG ARG A 22 5.566 15.170 1.439 1.00 0.00 C ATOM 347 CD ARG A 22 4.725 15.840 2.527 1.00 0.00 C ATOM 348 NE ARG A 22 3.422 15.129 2.656 1.00 0.00 N ATOM 349 CZ ARG A 22 2.671 15.329 3.705 1.00 0.00 C ATOM 350 NH1 ARG A 22 3.059 16.154 4.639 1.00 0.00 N ATOM 351 NH2 ARG A 22 1.531 14.703 3.820 1.00 0.00 N ATOM 0 H ARG A 22 4.515 12.178 0.086 1.00 0.00 H new ATOM 0 HA ARG A 22 6.718 13.725 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.735 13.231 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.282 13.543 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.548 15.640 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.093 15.304 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.258 15.820 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.557 16.888 2.278 1.00 0.00 H new ATOM 0 HE ARG A 22 3.117 14.486 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.950 16.643 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.472 16.310 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.228 14.058 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.944 14.859 4.639 1.00 0.00 H new ATOM 365 N ASP A 23 7.526 11.066 1.593 1.00 0.00 N ATOM 366 CA ASP A 23 8.707 10.320 2.110 1.00 0.00 C ATOM 367 C ASP A 23 9.549 9.823 0.935 1.00 0.00 C ATOM 368 O ASP A 23 10.760 9.930 0.936 1.00 0.00 O ATOM 369 CB ASP A 23 8.233 9.125 2.940 1.00 0.00 C ATOM 370 CG ASP A 23 9.146 8.951 4.155 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.240 9.882 4.938 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.734 7.889 4.283 1.00 0.00 O ATOM 0 H ASP A 23 6.637 10.571 1.656 1.00 0.00 H new ATOM 0 HA ASP A 23 9.309 10.980 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.204 9.280 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.243 8.220 2.332 1.00 0.00 H new ATOM 377 N ILE A 24 8.919 9.280 -0.070 1.00 0.00 N ATOM 378 CA ILE A 24 9.684 8.777 -1.246 1.00 0.00 C ATOM 379 C ILE A 24 10.455 9.935 -1.883 1.00 0.00 C ATOM 380 O ILE A 24 11.654 9.867 -2.069 1.00 0.00 O ATOM 381 CB ILE A 24 8.714 8.188 -2.271 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.868 7.100 -1.603 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.503 7.579 -3.432 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.842 6.565 -2.603 1.00 0.00 C ATOM 0 H ILE A 24 7.907 9.163 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 24 10.384 8.006 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 24 8.063 8.976 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.508 6.290 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.361 7.505 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.811 7.159 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.107 8.352 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.155 6.791 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.240 5.791 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.194 7.378 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.359 6.144 -3.465 1.00 0.00 H new ATOM 396 N ILE A 25 9.775 10.997 -2.221 1.00 0.00 N ATOM 397 CA ILE A 25 10.469 12.157 -2.848 1.00 0.00 C ATOM 398 C ILE A 25 11.660 12.571 -1.982 1.00 0.00 C ATOM 399 O ILE A 25 12.785 12.615 -2.437 1.00 0.00 O ATOM 400 CB ILE A 25 9.495 13.331 -2.965 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.150 12.825 -3.493 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.061 14.376 -3.930 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.364 12.090 -4.816 1.00 0.00 C ATOM 0 H ILE A 25 8.770 11.111 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 25 10.822 11.874 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 25 9.355 13.784 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.689 12.158 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.466 13.661 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.365 15.211 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.019 14.737 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.203 13.925 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.406 11.730 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.806 12.771 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.033 11.244 -4.658 1.00 0.00 H new ATOM 415 N GLN A 26 11.421 12.877 -0.736 1.00 0.00 N ATOM 416 CA GLN A 26 12.540 13.289 0.157 1.00 0.00 C ATOM 417 C GLN A 26 13.659 12.250 0.084 1.00 0.00 C ATOM 418 O GLN A 26 14.820 12.559 0.267 1.00 0.00 O ATOM 419 CB GLN A 26 12.029 13.392 1.597 1.00 0.00 C ATOM 420 CG GLN A 26 10.938 14.461 1.676 1.00 0.00 C ATOM 421 CD GLN A 26 11.541 15.771 2.185 1.00 0.00 C ATOM 422 OE1 GLN A 26 11.228 16.216 3.271 1.00 0.00 O ATOM 423 NE2 GLN A 26 12.399 16.412 1.439 1.00 0.00 N ATOM 0 H GLN A 26 10.500 12.859 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 26 12.924 14.258 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.635 12.430 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.850 13.645 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.491 14.612 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.140 14.133 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.661 16.038 0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.807 17.287 1.768 1.00 0.00 H new ATOM 432 N ALA A 27 13.320 11.017 -0.181 1.00 0.00 N ATOM 433 CA ALA A 27 14.366 9.959 -0.265 1.00 0.00 C ATOM 434 C ALA A 27 15.189 10.156 -1.541 1.00 0.00 C ATOM 435 O ALA A 27 16.368 10.446 -1.492 1.00 0.00 O ATOM 436 CB ALA A 27 13.698 8.583 -0.297 1.00 0.00 C ATOM 0 H ALA A 27 12.365 10.698 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 27 15.021 10.025 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.463 7.809 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.111 8.442 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.044 8.516 -1.166 1.00 0.00 H new ATOM 442 N LEU A 28 14.577 9.999 -2.682 1.00 0.00 N ATOM 443 CA LEU A 28 15.323 10.177 -3.960 1.00 0.00 C ATOM 444 C LEU A 28 16.031 11.533 -3.956 1.00 0.00 C ATOM 445 O LEU A 28 17.151 11.661 -4.409 1.00 0.00 O ATOM 446 CB LEU A 28 14.341 10.120 -5.134 1.00 0.00 C ATOM 447 CG LEU A 28 13.613 8.775 -5.128 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.568 8.755 -6.244 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.624 7.647 -5.357 1.00 0.00 C ATOM 0 H LEU A 28 13.592 9.755 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 28 16.062 9.382 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.621 10.935 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.875 10.252 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 28 13.120 8.633 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.049 7.796 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.848 9.558 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.060 8.897 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.106 6.688 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.116 7.789 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.370 7.660 -4.562 1.00 0.00 H new ATOM 461 N LEU A 29 15.386 12.548 -3.449 1.00 0.00 N ATOM 462 CA LEU A 29 16.021 13.895 -3.416 1.00 0.00 C ATOM 463 C LEU A 29 17.247 13.857 -2.502 1.00 0.00 C ATOM 464 O LEU A 29 18.348 14.174 -2.911 1.00 0.00 O ATOM 465 CB LEU A 29 15.014 14.917 -2.878 1.00 0.00 C ATOM 466 CG LEU A 29 15.153 16.235 -3.644 1.00 0.00 C ATOM 467 CD1 LEU A 29 16.573 16.782 -3.477 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.869 15.998 -5.129 1.00 0.00 C ATOM 0 H LEU A 29 14.446 12.502 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 29 16.327 14.180 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.000 14.531 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.185 15.084 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 29 14.439 16.957 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.668 17.720 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.774 16.956 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.289 16.060 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.968 16.937 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.580 15.273 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.856 15.615 -5.249 1.00 0.00 H new ATOM 480 N GLU A 30 17.068 13.471 -1.268 1.00 0.00 N ATOM 481 CA GLU A 30 18.224 13.410 -0.330 1.00 0.00 C ATOM 482 C GLU A 30 19.349 12.586 -0.959 1.00 0.00 C ATOM 483 O GLU A 30 20.511 12.764 -0.649 1.00 0.00 O ATOM 484 CB GLU A 30 17.782 12.753 0.980 1.00 0.00 C ATOM 485 CG GLU A 30 17.108 13.795 1.875 1.00 0.00 C ATOM 486 CD GLU A 30 16.144 13.097 2.837 1.00 0.00 C ATOM 487 OE1 GLU A 30 16.302 11.905 3.041 1.00 0.00 O ATOM 488 OE2 GLU A 30 15.265 13.767 3.353 1.00 0.00 O ATOM 0 H GLU A 30 16.171 13.195 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 30 18.583 14.419 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.092 11.935 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.643 12.322 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.861 14.349 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.568 14.519 1.265 1.00 0.00 H new ATOM 495 N ASP A 31 19.014 11.684 -1.842 1.00 0.00 N ATOM 496 CA ASP A 31 20.064 10.849 -2.491 1.00 0.00 C ATOM 497 C ASP A 31 20.888 11.712 -3.449 1.00 0.00 C ATOM 498 O ASP A 31 22.086 11.550 -3.571 1.00 0.00 O ATOM 499 CB ASP A 31 19.402 9.711 -3.271 1.00 0.00 C ATOM 500 CG ASP A 31 19.661 8.382 -2.558 1.00 0.00 C ATOM 501 OD1 ASP A 31 19.839 8.406 -1.351 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.680 7.364 -3.230 1.00 0.00 O ATOM 0 H ASP A 31 18.059 11.490 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 31 20.719 10.433 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.330 9.888 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.798 9.674 -4.286 1.00 0.00 H new ATOM 507 N GLY A 32 20.257 12.630 -4.131 1.00 0.00 N ATOM 508 CA GLY A 32 21.007 13.501 -5.080 1.00 0.00 C ATOM 509 C GLY A 32 20.387 13.392 -6.474 1.00 0.00 C ATOM 510 O GLY A 32 20.999 13.737 -7.466 1.00 0.00 O ATOM 0 H GLY A 32 19.255 12.814 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.980 14.536 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.055 13.203 -5.113 1.00 0.00 H new ATOM 514 N SER A 33 19.176 12.914 -6.558 1.00 0.00 N ATOM 515 CA SER A 33 18.515 12.779 -7.886 1.00 0.00 C ATOM 516 C SER A 33 18.698 14.072 -8.686 1.00 0.00 C ATOM 517 O SER A 33 19.126 15.082 -8.164 1.00 0.00 O ATOM 518 CB SER A 33 17.023 12.512 -7.683 1.00 0.00 C ATOM 519 OG SER A 33 16.468 13.539 -6.872 1.00 0.00 O ATOM 0 H SER A 33 18.615 12.611 -5.762 1.00 0.00 H new ATOM 0 HA SER A 33 18.964 11.950 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.514 12.478 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.877 11.541 -7.211 1.00 0.00 H new ATOM 0 HG SER A 33 15.511 13.372 -6.741 1.00 0.00 H new ATOM 525 N ASP A 34 18.374 14.046 -9.951 1.00 0.00 N ATOM 526 CA ASP A 34 18.525 15.270 -10.788 1.00 0.00 C ATOM 527 C ASP A 34 17.158 15.676 -11.344 1.00 0.00 C ATOM 528 O ASP A 34 16.742 15.216 -12.388 1.00 0.00 O ATOM 529 CB ASP A 34 19.481 14.979 -11.947 1.00 0.00 C ATOM 530 CG ASP A 34 20.926 15.058 -11.449 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.289 16.091 -10.910 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.644 14.087 -11.616 1.00 0.00 O ATOM 0 H ASP A 34 18.011 13.228 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 34 18.927 16.081 -10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.280 13.990 -12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.323 15.697 -12.752 1.00 0.00 H new ATOM 537 N PRO A 35 16.463 16.534 -10.644 1.00 0.00 N ATOM 538 CA PRO A 35 15.113 17.015 -11.061 1.00 0.00 C ATOM 539 C PRO A 35 15.106 17.582 -12.486 1.00 0.00 C ATOM 540 O PRO A 35 14.100 17.563 -13.165 1.00 0.00 O ATOM 541 CB PRO A 35 14.782 18.116 -10.051 1.00 0.00 C ATOM 542 CG PRO A 35 15.639 17.841 -8.859 1.00 0.00 C ATOM 543 CD PRO A 35 16.893 17.136 -9.374 1.00 0.00 C ATOM 0 HA PRO A 35 14.388 16.201 -11.072 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.991 19.103 -10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.725 18.099 -9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.899 18.767 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.111 17.216 -8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.714 17.838 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.243 16.380 -8.672 1.00 0.00 H new ATOM 551 N ASP A 36 16.219 18.091 -12.941 1.00 0.00 N ATOM 552 CA ASP A 36 16.267 18.662 -14.318 1.00 0.00 C ATOM 553 C ASP A 36 16.389 17.532 -15.342 1.00 0.00 C ATOM 554 O ASP A 36 16.631 17.765 -16.510 1.00 0.00 O ATOM 555 CB ASP A 36 17.474 19.593 -14.440 1.00 0.00 C ATOM 556 CG ASP A 36 18.565 19.145 -13.466 1.00 0.00 C ATOM 557 OD1 ASP A 36 18.349 19.261 -12.271 1.00 0.00 O ATOM 558 OD2 ASP A 36 19.599 18.693 -13.931 1.00 0.00 O ATOM 0 H ASP A 36 17.095 18.136 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 36 15.352 19.223 -14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.855 19.579 -15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.178 20.620 -14.224 1.00 0.00 H new ATOM 563 N ALA A 37 16.220 16.310 -14.918 1.00 0.00 N ATOM 564 CA ALA A 37 16.327 15.170 -15.873 1.00 0.00 C ATOM 565 C ALA A 37 14.926 14.639 -16.188 1.00 0.00 C ATOM 566 O ALA A 37 14.769 13.580 -16.764 1.00 0.00 O ATOM 567 CB ALA A 37 17.169 14.056 -15.249 1.00 0.00 C ATOM 0 H ALA A 37 16.013 16.051 -13.953 1.00 0.00 H new ATOM 0 HA ALA A 37 16.803 15.509 -16.793 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.246 13.223 -15.948 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.166 14.435 -15.025 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.696 13.714 -14.329 1.00 0.00 H new ATOM 573 N LEU A 38 13.908 15.365 -15.817 1.00 0.00 N ATOM 574 CA LEU A 38 12.521 14.902 -16.096 1.00 0.00 C ATOM 575 C LEU A 38 12.279 13.559 -15.403 1.00 0.00 C ATOM 576 O LEU A 38 13.174 12.747 -15.272 1.00 0.00 O ATOM 577 CB LEU A 38 12.332 14.735 -17.605 1.00 0.00 C ATOM 578 CG LEU A 38 10.847 14.555 -17.917 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.177 15.926 -18.026 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.692 13.806 -19.242 1.00 0.00 C ATOM 0 H LEU A 38 13.977 16.260 -15.332 1.00 0.00 H new ATOM 0 HA LEU A 38 11.812 15.639 -15.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.721 15.608 -18.130 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.896 13.872 -17.959 1.00 0.00 H new ATOM 0 HG LEU A 38 10.375 13.983 -17.118 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.118 15.797 -18.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.287 16.461 -17.083 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.648 16.499 -18.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.633 13.677 -19.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.164 14.378 -20.041 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.168 12.829 -19.165 1.00 0.00 H new ATOM 592 N TYR A 39 11.076 13.321 -14.961 1.00 0.00 N ATOM 593 CA TYR A 39 10.771 12.032 -14.279 1.00 0.00 C ATOM 594 C TYR A 39 9.509 11.419 -14.888 1.00 0.00 C ATOM 595 O TYR A 39 8.665 12.113 -15.419 1.00 0.00 O ATOM 596 CB TYR A 39 10.544 12.285 -12.787 1.00 0.00 C ATOM 597 CG TYR A 39 11.776 11.879 -12.014 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.809 12.802 -11.807 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.886 10.581 -11.501 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.950 12.426 -11.089 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.027 10.205 -10.784 1.00 0.00 C ATOM 602 CZ TYR A 39 14.059 11.127 -10.578 1.00 0.00 C ATOM 603 OH TYR A 39 15.184 10.756 -9.869 1.00 0.00 O ATOM 0 H TYR A 39 10.289 13.965 -15.043 1.00 0.00 H new ATOM 0 HA TYR A 39 11.608 11.346 -14.409 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.325 13.339 -12.615 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.680 11.719 -12.439 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.725 13.804 -12.201 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.089 9.869 -11.659 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.746 13.138 -10.929 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.111 9.203 -10.390 1.00 0.00 H new ATOM 0 HH TYR A 39 15.098 9.822 -9.585 1.00 0.00 H new ATOM 613 N GLU A 40 9.374 10.123 -14.818 1.00 0.00 N ATOM 614 CA GLU A 40 8.167 9.467 -15.394 1.00 0.00 C ATOM 615 C GLU A 40 7.362 8.804 -14.275 1.00 0.00 C ATOM 616 O GLU A 40 7.842 7.926 -13.586 1.00 0.00 O ATOM 617 CB GLU A 40 8.601 8.407 -16.409 1.00 0.00 C ATOM 618 CG GLU A 40 9.966 7.844 -16.008 1.00 0.00 C ATOM 619 CD GLU A 40 10.325 6.670 -16.923 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.617 6.467 -17.896 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.300 5.996 -16.635 1.00 0.00 O ATOM 0 H GLU A 40 10.048 9.490 -14.387 1.00 0.00 H new ATOM 0 HA GLU A 40 7.548 10.215 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.864 7.605 -16.451 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.655 8.844 -17.406 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.727 8.621 -16.081 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.944 7.515 -14.969 1.00 0.00 H new ATOM 628 N ILE A 41 6.137 9.218 -14.088 1.00 0.00 N ATOM 629 CA ILE A 41 5.301 8.611 -13.013 1.00 0.00 C ATOM 630 C ILE A 41 4.402 7.531 -13.616 1.00 0.00 C ATOM 631 O ILE A 41 4.107 7.543 -14.796 1.00 0.00 O ATOM 632 CB ILE A 41 4.430 9.694 -12.371 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.222 11.002 -12.283 1.00 0.00 C ATOM 634 CG2 ILE A 41 4.013 9.253 -10.966 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.609 10.723 -11.702 1.00 0.00 C ATOM 0 H ILE A 41 5.680 9.949 -14.633 1.00 0.00 H new ATOM 0 HA ILE A 41 5.949 8.167 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 41 3.539 9.849 -12.980 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.314 11.450 -13.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.691 11.719 -11.656 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.393 10.026 -10.511 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.447 8.324 -11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.902 9.095 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.172 11.655 -11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.506 10.294 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.139 10.021 -12.346 1.00 0.00 H new ATOM 647 N GLU A 42 3.961 6.597 -12.819 1.00 0.00 N ATOM 648 CA GLU A 42 3.078 5.521 -13.351 1.00 0.00 C ATOM 649 C GLU A 42 1.957 5.238 -12.349 1.00 0.00 C ATOM 650 O GLU A 42 2.200 4.963 -11.192 1.00 0.00 O ATOM 651 CB GLU A 42 3.899 4.247 -13.568 1.00 0.00 C ATOM 652 CG GLU A 42 2.964 3.098 -13.948 1.00 0.00 C ATOM 653 CD GLU A 42 3.648 2.203 -14.982 1.00 0.00 C ATOM 654 OE1 GLU A 42 4.335 1.279 -14.576 1.00 0.00 O ATOM 655 OE2 GLU A 42 3.477 2.457 -16.162 1.00 0.00 O ATOM 0 H GLU A 42 4.174 6.532 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 42 2.647 5.842 -14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.636 4.406 -14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.450 3.997 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.706 2.517 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.032 3.492 -14.353 1.00 0.00 H new ATOM 662 N HIS A 43 0.729 5.306 -12.787 1.00 0.00 N ATOM 663 CA HIS A 43 -0.408 5.042 -11.859 1.00 0.00 C ATOM 664 C HIS A 43 -1.094 3.732 -12.252 1.00 0.00 C ATOM 665 O HIS A 43 -1.357 3.481 -13.412 1.00 0.00 O ATOM 666 CB HIS A 43 -1.416 6.190 -11.952 1.00 0.00 C ATOM 667 CG HIS A 43 -0.735 7.489 -11.624 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.354 7.820 -10.331 1.00 0.00 N ATOM 669 CD2 HIS A 43 -0.362 8.553 -12.409 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.219 9.038 -10.376 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.238 9.525 -11.618 1.00 0.00 N ATOM 0 H HIS A 43 0.464 5.533 -13.746 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.034 4.965 -10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.841 6.234 -12.955 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.243 6.018 -11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.512 8.623 -13.476 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.614 9.556 -9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.614 10.423 -11.923 1.00 0.00 H new ATOM 679 N HIS A 44 -1.391 2.896 -11.295 1.00 0.00 N ATOM 680 CA HIS A 44 -2.065 1.606 -11.614 1.00 0.00 C ATOM 681 C HIS A 44 -3.566 1.746 -11.356 1.00 0.00 C ATOM 682 O HIS A 44 -3.987 2.093 -10.271 1.00 0.00 O ATOM 683 CB HIS A 44 -1.497 0.499 -10.722 1.00 0.00 C ATOM 684 CG HIS A 44 -0.329 -0.154 -11.411 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.953 -0.125 -10.879 1.00 0.00 N ATOM 686 CD2 HIS A 44 -0.232 -0.858 -12.586 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.759 -0.792 -11.725 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.086 -1.258 -12.778 1.00 0.00 N ATOM 0 H HIS A 44 -1.196 3.051 -10.306 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.894 1.352 -12.660 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.182 0.915 -9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.268 -0.242 -10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.052 -1.068 -13.257 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.819 -0.933 -11.571 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.460 -1.795 -13.560 1.00 0.00 H new ATOM 696 N LEU A 45 -4.379 1.484 -12.342 1.00 0.00 N ATOM 697 CA LEU A 45 -5.850 1.611 -12.140 1.00 0.00 C ATOM 698 C LEU A 45 -6.555 0.371 -12.690 1.00 0.00 C ATOM 699 O LEU A 45 -6.250 -0.104 -13.767 1.00 0.00 O ATOM 700 CB LEU A 45 -6.358 2.852 -12.878 1.00 0.00 C ATOM 701 CG LEU A 45 -5.487 4.056 -12.516 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.380 4.217 -13.561 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.350 5.320 -12.493 1.00 0.00 C ATOM 0 H LEU A 45 -4.090 1.189 -13.275 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.061 1.704 -11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.333 2.683 -13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.396 3.048 -12.610 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.041 3.900 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.759 5.075 -13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.765 3.317 -13.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.827 4.374 -14.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.730 6.179 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.794 5.475 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.141 5.207 -11.751 1.00 0.00 H new ATOM 715 N PHE A 46 -7.498 -0.158 -11.960 1.00 0.00 N ATOM 716 CA PHE A 46 -8.224 -1.366 -12.443 1.00 0.00 C ATOM 717 C PHE A 46 -9.725 -1.076 -12.487 1.00 0.00 C ATOM 718 O PHE A 46 -10.225 -0.230 -11.772 1.00 0.00 O ATOM 719 CB PHE A 46 -7.956 -2.540 -11.498 1.00 0.00 C ATOM 720 CG PHE A 46 -7.228 -2.046 -10.271 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.949 -1.490 -10.391 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.832 -2.147 -9.012 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.275 -1.033 -9.252 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.158 -1.691 -7.873 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.879 -1.134 -7.993 1.00 0.00 C ATOM 0 H PHE A 46 -7.797 0.194 -11.050 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.874 -1.622 -13.443 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.896 -3.011 -11.211 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.361 -3.300 -12.005 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.482 -1.414 -11.362 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.818 -2.577 -8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.289 -0.602 -9.345 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.624 -1.769 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.358 -0.782 -7.114 1.00 0.00 H new ATOM 735 N ALA A 47 -10.445 -1.770 -13.324 1.00 0.00 N ATOM 736 CA ALA A 47 -11.913 -1.531 -13.416 1.00 0.00 C ATOM 737 C ALA A 47 -12.652 -2.870 -13.362 1.00 0.00 C ATOM 738 O ALA A 47 -12.049 -3.918 -13.256 1.00 0.00 O ATOM 739 CB ALA A 47 -12.231 -0.824 -14.734 1.00 0.00 C ATOM 0 H ALA A 47 -10.082 -2.491 -13.947 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.234 -0.906 -12.582 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.305 -0.648 -14.803 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.704 0.129 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.911 -1.448 -15.568 1.00 0.00 H new ATOM 745 N GLU A 48 -13.954 -2.841 -13.432 1.00 0.00 N ATOM 746 CA GLU A 48 -14.731 -4.112 -13.381 1.00 0.00 C ATOM 747 C GLU A 48 -15.294 -4.424 -14.769 1.00 0.00 C ATOM 748 O GLU A 48 -15.414 -5.569 -15.157 1.00 0.00 O ATOM 749 CB GLU A 48 -15.881 -3.965 -12.384 1.00 0.00 C ATOM 750 CG GLU A 48 -16.484 -5.340 -12.092 1.00 0.00 C ATOM 751 CD GLU A 48 -17.965 -5.183 -11.744 1.00 0.00 C ATOM 752 OE1 GLU A 48 -18.678 -4.583 -12.531 1.00 0.00 O ATOM 753 OE2 GLU A 48 -18.361 -5.663 -10.695 1.00 0.00 O ATOM 0 H GLU A 48 -14.514 -1.993 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.077 -4.925 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.520 -3.511 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.644 -3.300 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.370 -5.991 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.953 -5.814 -11.266 1.00 0.00 H new ATOM 760 N ASP A 49 -15.640 -3.414 -15.522 1.00 0.00 N ATOM 761 CA ASP A 49 -16.194 -3.658 -16.883 1.00 0.00 C ATOM 762 C ASP A 49 -15.226 -3.112 -17.933 1.00 0.00 C ATOM 763 O ASP A 49 -14.660 -2.047 -17.777 1.00 0.00 O ATOM 764 CB ASP A 49 -17.548 -2.954 -17.017 1.00 0.00 C ATOM 765 CG ASP A 49 -18.629 -3.982 -17.358 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.499 -5.114 -16.924 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.568 -3.619 -18.047 1.00 0.00 O ATOM 0 H ASP A 49 -15.563 -2.433 -15.253 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.326 -4.729 -17.035 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.798 -2.444 -16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.498 -2.192 -17.795 1.00 0.00 H new ATOM 772 N PHE A 50 -15.033 -3.830 -19.005 1.00 0.00 N ATOM 773 CA PHE A 50 -14.103 -3.352 -20.065 1.00 0.00 C ATOM 774 C PHE A 50 -14.627 -2.036 -20.642 1.00 0.00 C ATOM 775 O PHE A 50 -13.867 -1.169 -21.030 1.00 0.00 O ATOM 776 CB PHE A 50 -14.019 -4.399 -21.177 1.00 0.00 C ATOM 777 CG PHE A 50 -13.217 -3.845 -22.329 1.00 0.00 C ATOM 778 CD1 PHE A 50 -11.823 -3.975 -22.338 1.00 0.00 C ATOM 779 CD2 PHE A 50 -13.866 -3.205 -23.391 1.00 0.00 C ATOM 780 CE1 PHE A 50 -11.078 -3.463 -23.407 1.00 0.00 C ATOM 781 CE2 PHE A 50 -13.122 -2.693 -24.460 1.00 0.00 C ATOM 782 CZ PHE A 50 -11.728 -2.822 -24.468 1.00 0.00 C ATOM 0 H PHE A 50 -15.480 -4.728 -19.192 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.112 -3.194 -19.639 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.553 -5.309 -20.800 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.020 -4.669 -21.513 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.322 -4.471 -21.520 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.941 -3.106 -23.386 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.003 -3.563 -23.413 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.623 -2.198 -25.279 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.154 -2.427 -25.293 1.00 0.00 H new ATOM 792 N ASP A 51 -15.922 -1.878 -20.702 1.00 0.00 N ATOM 793 CA ASP A 51 -16.494 -0.618 -21.253 1.00 0.00 C ATOM 794 C ASP A 51 -16.042 0.565 -20.394 1.00 0.00 C ATOM 795 O ASP A 51 -15.264 1.393 -20.822 1.00 0.00 O ATOM 796 CB ASP A 51 -18.022 -0.706 -21.241 1.00 0.00 C ATOM 797 CG ASP A 51 -18.476 -1.843 -22.158 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.099 -1.829 -23.318 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.192 -2.710 -21.685 1.00 0.00 O ATOM 0 H ASP A 51 -16.607 -2.567 -20.393 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.147 -0.476 -22.276 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.379 -0.879 -20.226 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.454 0.238 -21.574 1.00 0.00 H new ATOM 804 N LYS A 52 -16.520 0.649 -19.182 1.00 0.00 N ATOM 805 CA LYS A 52 -16.111 1.777 -18.299 1.00 0.00 C ATOM 806 C LYS A 52 -14.594 1.956 -18.379 1.00 0.00 C ATOM 807 O LYS A 52 -14.094 3.053 -18.525 1.00 0.00 O ATOM 808 CB LYS A 52 -16.512 1.470 -16.855 1.00 0.00 C ATOM 809 CG LYS A 52 -16.496 2.761 -16.033 1.00 0.00 C ATOM 810 CD LYS A 52 -17.931 3.184 -15.714 1.00 0.00 C ATOM 811 CE LYS A 52 -18.599 3.720 -16.981 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.948 4.257 -16.645 1.00 0.00 N ATOM 0 H LYS A 52 -17.175 -0.014 -18.766 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.606 2.692 -18.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.506 1.023 -16.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.825 0.743 -16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.937 2.609 -15.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.988 3.550 -16.587 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.493 2.335 -15.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.932 3.950 -14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.985 4.503 -17.425 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.687 2.926 -17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.401 4.621 -17.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.533 3.498 -16.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.853 5.027 -15.952 1.00 0.00 H new ATOM 826 N LEU A 53 -13.858 0.882 -18.289 1.00 0.00 N ATOM 827 CA LEU A 53 -12.373 0.987 -18.363 1.00 0.00 C ATOM 828 C LEU A 53 -11.991 1.929 -19.505 1.00 0.00 C ATOM 829 O LEU A 53 -11.171 2.813 -19.346 1.00 0.00 O ATOM 830 CB LEU A 53 -11.779 -0.400 -18.624 1.00 0.00 C ATOM 831 CG LEU A 53 -10.299 -0.407 -18.239 1.00 0.00 C ATOM 832 CD1 LEU A 53 -9.845 -1.846 -17.990 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.474 0.196 -19.377 1.00 0.00 C ATOM 0 H LEU A 53 -14.221 -0.064 -18.167 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.984 1.377 -17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.318 -1.152 -18.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.892 -0.663 -19.676 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.156 0.182 -17.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.790 -1.852 -17.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.433 -2.278 -17.181 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.988 -2.434 -18.896 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.419 0.191 -19.103 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.617 -0.394 -20.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.798 1.221 -19.557 1.00 0.00 H new ATOM 845 N GLU A 54 -12.579 1.750 -20.655 1.00 0.00 N ATOM 846 CA GLU A 54 -12.252 2.636 -21.807 1.00 0.00 C ATOM 847 C GLU A 54 -12.764 4.049 -21.520 1.00 0.00 C ATOM 848 O GLU A 54 -12.242 5.024 -22.026 1.00 0.00 O ATOM 849 CB GLU A 54 -12.922 2.098 -23.073 1.00 0.00 C ATOM 850 CG GLU A 54 -12.586 3.006 -24.256 1.00 0.00 C ATOM 851 CD GLU A 54 -12.487 2.167 -25.531 1.00 0.00 C ATOM 852 OE1 GLU A 54 -13.516 1.942 -26.148 1.00 0.00 O ATOM 853 OE2 GLU A 54 -11.386 1.765 -25.869 1.00 0.00 O ATOM 0 H GLU A 54 -13.273 1.027 -20.847 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.172 2.661 -21.952 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.582 1.082 -23.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.002 2.051 -22.933 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.354 3.771 -24.370 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.644 3.524 -24.075 1.00 0.00 H new ATOM 860 N LYS A 55 -13.782 4.169 -20.712 1.00 0.00 N ATOM 861 CA LYS A 55 -14.327 5.519 -20.395 1.00 0.00 C ATOM 862 C LYS A 55 -13.351 6.265 -19.482 1.00 0.00 C ATOM 863 O LYS A 55 -12.956 7.380 -19.759 1.00 0.00 O ATOM 864 CB LYS A 55 -15.676 5.370 -19.687 1.00 0.00 C ATOM 865 CG LYS A 55 -16.699 4.768 -20.651 1.00 0.00 C ATOM 866 CD LYS A 55 -17.367 5.887 -21.453 1.00 0.00 C ATOM 867 CE LYS A 55 -18.575 6.419 -20.681 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.297 7.420 -21.516 1.00 0.00 N ATOM 0 H LYS A 55 -14.260 3.390 -20.258 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.460 6.082 -21.319 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.569 4.732 -18.810 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.022 6.342 -19.334 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.209 4.066 -21.325 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.450 4.206 -20.096 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.656 6.692 -21.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.681 5.513 -22.427 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.243 5.598 -20.419 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.250 6.876 -19.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.119 7.782 -20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.657 8.208 -21.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.620 6.970 -22.396 1.00 0.00 H new ATOM 882 N ALA A 56 -12.961 5.660 -18.393 1.00 0.00 N ATOM 883 CA ALA A 56 -12.015 6.337 -17.462 1.00 0.00 C ATOM 884 C ALA A 56 -10.638 6.454 -18.121 1.00 0.00 C ATOM 885 O ALA A 56 -9.946 7.440 -17.962 1.00 0.00 O ATOM 886 CB ALA A 56 -11.896 5.522 -16.173 1.00 0.00 C ATOM 0 H ALA A 56 -13.257 4.726 -18.108 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.390 7.334 -17.229 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.204 6.017 -15.492 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.875 5.443 -15.701 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.524 4.524 -16.406 1.00 0.00 H new ATOM 892 N ALA A 57 -10.233 5.455 -18.858 1.00 0.00 N ATOM 893 CA ALA A 57 -8.901 5.514 -19.523 1.00 0.00 C ATOM 894 C ALA A 57 -8.915 6.597 -20.603 1.00 0.00 C ATOM 895 O ALA A 57 -7.971 7.347 -20.758 1.00 0.00 O ATOM 896 CB ALA A 57 -8.591 4.160 -20.164 1.00 0.00 C ATOM 0 H ALA A 57 -10.766 4.602 -19.028 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.137 5.750 -18.783 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.617 4.202 -20.651 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.579 3.388 -19.395 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.356 3.924 -20.904 1.00 0.00 H new ATOM 902 N VAL A 58 -9.979 6.686 -21.354 1.00 0.00 N ATOM 903 CA VAL A 58 -10.051 7.720 -22.424 1.00 0.00 C ATOM 904 C VAL A 58 -9.874 9.109 -21.806 1.00 0.00 C ATOM 905 O VAL A 58 -8.958 9.834 -22.136 1.00 0.00 O ATOM 906 CB VAL A 58 -11.412 7.639 -23.118 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.752 8.995 -23.741 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.361 6.573 -24.214 1.00 0.00 C ATOM 0 H VAL A 58 -10.801 6.087 -21.272 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.260 7.545 -23.153 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.176 7.375 -22.387 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.722 8.936 -24.235 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.788 9.755 -22.961 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.988 9.261 -24.472 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.330 6.514 -24.710 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.596 6.838 -24.944 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.121 5.607 -23.771 1.00 0.00 H new ATOM 918 N GLU A 59 -10.746 9.484 -20.910 1.00 0.00 N ATOM 919 CA GLU A 59 -10.630 10.824 -20.269 1.00 0.00 C ATOM 920 C GLU A 59 -9.209 11.015 -19.735 1.00 0.00 C ATOM 921 O GLU A 59 -8.660 12.099 -19.779 1.00 0.00 O ATOM 922 CB GLU A 59 -11.627 10.924 -19.113 1.00 0.00 C ATOM 923 CG GLU A 59 -11.879 12.395 -18.778 1.00 0.00 C ATOM 924 CD GLU A 59 -13.311 12.770 -19.166 1.00 0.00 C ATOM 925 OE1 GLU A 59 -14.216 12.049 -18.780 1.00 0.00 O ATOM 926 OE2 GLU A 59 -13.477 13.771 -19.841 1.00 0.00 O ATOM 0 H GLU A 59 -11.534 8.919 -20.594 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.847 11.598 -21.005 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.564 10.437 -19.384 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.238 10.403 -18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.722 12.568 -17.713 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.169 13.027 -19.312 1.00 0.00 H new ATOM 933 N ALA A 60 -8.610 9.973 -19.228 1.00 0.00 N ATOM 934 CA ALA A 60 -7.227 10.097 -18.690 1.00 0.00 C ATOM 935 C ALA A 60 -6.268 10.464 -19.824 1.00 0.00 C ATOM 936 O ALA A 60 -5.554 11.443 -19.754 1.00 0.00 O ATOM 937 CB ALA A 60 -6.799 8.763 -18.073 1.00 0.00 C ATOM 0 H ALA A 60 -9.019 9.041 -19.163 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.203 10.876 -17.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.787 8.853 -17.679 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.481 8.500 -17.265 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.824 7.985 -18.836 1.00 0.00 H new ATOM 943 N PHE A 61 -6.247 9.684 -20.870 1.00 0.00 N ATOM 944 CA PHE A 61 -5.335 9.986 -22.008 1.00 0.00 C ATOM 945 C PHE A 61 -5.523 11.440 -22.443 1.00 0.00 C ATOM 946 O PHE A 61 -4.572 12.179 -22.599 1.00 0.00 O ATOM 947 CB PHE A 61 -5.659 9.057 -23.180 1.00 0.00 C ATOM 948 CG PHE A 61 -5.030 9.600 -24.441 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.661 9.419 -24.675 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.817 10.281 -25.378 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.079 9.920 -25.845 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.234 10.783 -26.548 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.865 10.602 -26.782 1.00 0.00 C ATOM 0 H PHE A 61 -6.823 8.850 -20.985 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.302 9.832 -21.696 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.285 8.054 -22.977 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.739 8.975 -23.305 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.055 8.893 -23.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.873 10.419 -25.198 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.023 9.781 -26.025 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.840 11.310 -27.270 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.416 10.988 -27.685 1.00 0.00 H new ATOM 963 N LYS A 62 -6.743 11.857 -22.641 1.00 0.00 N ATOM 964 CA LYS A 62 -6.990 13.262 -23.067 1.00 0.00 C ATOM 965 C LYS A 62 -6.272 14.219 -22.113 1.00 0.00 C ATOM 966 O LYS A 62 -5.479 15.043 -22.525 1.00 0.00 O ATOM 967 CB LYS A 62 -8.494 13.547 -23.040 1.00 0.00 C ATOM 968 CG LYS A 62 -8.765 14.911 -23.677 1.00 0.00 C ATOM 969 CD LYS A 62 -10.058 15.494 -23.103 1.00 0.00 C ATOM 970 CE LYS A 62 -9.801 16.019 -21.689 1.00 0.00 C ATOM 971 NZ LYS A 62 -10.693 15.313 -20.727 1.00 0.00 N ATOM 0 H LYS A 62 -7.580 11.285 -22.526 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.611 13.406 -24.079 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.033 12.768 -23.580 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.859 13.534 -22.013 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.932 15.587 -23.484 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.848 14.809 -24.759 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.420 16.300 -23.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.835 14.730 -23.083 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.757 15.863 -21.416 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.983 17.093 -21.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.307 15.403 -19.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.643 15.736 -20.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.753 14.307 -20.983 1.00 0.00 H new ATOM 985 N MET A 63 -6.541 14.116 -20.840 1.00 0.00 N ATOM 986 CA MET A 63 -5.873 15.020 -19.861 1.00 0.00 C ATOM 987 C MET A 63 -4.390 15.148 -20.213 1.00 0.00 C ATOM 988 O MET A 63 -3.816 16.216 -20.146 1.00 0.00 O ATOM 989 CB MET A 63 -6.015 14.438 -18.452 1.00 0.00 C ATOM 990 CG MET A 63 -7.494 14.368 -18.074 1.00 0.00 C ATOM 991 SD MET A 63 -7.712 14.950 -16.375 1.00 0.00 S ATOM 992 CE MET A 63 -8.783 13.606 -15.810 1.00 0.00 C ATOM 0 H MET A 63 -7.194 13.445 -20.436 1.00 0.00 H new ATOM 0 HA MET A 63 -6.340 16.004 -19.897 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.571 13.443 -18.412 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.475 15.057 -17.736 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.084 14.979 -18.757 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.856 13.344 -18.168 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.046 13.766 -14.764 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.690 13.586 -16.414 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.259 12.656 -15.911 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.763 14.066 -20.588 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.317 14.129 -20.944 1.00 0.00 C ATOM 1004 C GLY A 64 -1.597 12.902 -20.380 1.00 0.00 C ATOM 1005 O GLY A 64 -0.393 12.895 -20.223 1.00 0.00 O ATOM 0 H GLY A 64 -4.189 13.142 -20.663 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.200 14.166 -22.027 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.873 15.040 -20.544 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.326 11.864 -20.073 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.682 10.638 -19.519 1.00 0.00 C ATOM 1011 C PHE A 65 -1.486 9.611 -20.638 1.00 0.00 C ATOM 1012 O PHE A 65 -2.108 9.686 -21.679 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.579 10.037 -18.433 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.594 10.944 -17.225 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.146 12.228 -17.320 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -2.058 10.501 -16.010 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.163 13.067 -16.199 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -2.074 11.341 -14.890 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.627 12.623 -14.984 1.00 0.00 C ATOM 0 H PHE A 65 -3.339 11.811 -20.182 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.714 10.900 -19.091 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.592 9.907 -18.815 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.215 9.048 -18.153 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.558 12.571 -18.258 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.632 9.511 -15.937 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.590 14.057 -16.272 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.659 10.999 -13.953 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.640 13.270 -14.119 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.629 8.649 -20.428 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.399 7.614 -21.474 1.00 0.00 C ATOM 1031 C GLU A 66 -0.915 6.267 -20.967 1.00 0.00 C ATOM 1032 O GLU A 66 -0.201 5.515 -20.333 1.00 0.00 O ATOM 1033 CB GLU A 66 1.099 7.515 -21.775 1.00 0.00 C ATOM 1034 CG GLU A 66 1.642 8.902 -22.121 1.00 0.00 C ATOM 1035 CD GLU A 66 3.071 8.776 -22.651 1.00 0.00 C ATOM 1036 OE1 GLU A 66 3.305 7.896 -23.464 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.909 9.560 -22.235 1.00 0.00 O ATOM 0 H GLU A 66 -0.078 8.536 -19.577 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.929 7.887 -22.386 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.628 7.110 -20.912 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.270 6.829 -22.604 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.006 9.376 -22.869 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.626 9.541 -21.238 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.156 5.962 -21.231 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.728 4.670 -20.755 1.00 0.00 C ATOM 1046 C VAL A 67 -1.985 3.498 -21.397 1.00 0.00 C ATOM 1047 O VAL A 67 -1.482 3.594 -22.499 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.207 4.598 -21.136 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.338 4.463 -22.654 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.846 3.383 -20.460 1.00 0.00 C ATOM 0 H VAL A 67 -2.800 6.553 -21.757 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.621 4.612 -19.672 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.712 5.507 -20.808 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.393 4.412 -22.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.881 5.327 -23.137 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.834 3.554 -22.983 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.901 3.329 -20.730 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.340 2.475 -20.790 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.753 3.478 -19.378 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.923 2.387 -20.715 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.226 1.197 -21.279 1.00 0.00 C ATOM 1062 C LEU A 68 -2.171 -0.005 -21.223 1.00 0.00 C ATOM 1063 O LEU A 68 -2.888 -0.197 -20.261 1.00 0.00 O ATOM 1064 CB LEU A 68 0.030 0.898 -20.457 1.00 0.00 C ATOM 1065 CG LEU A 68 1.034 0.132 -21.321 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.626 1.074 -22.370 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.157 -0.410 -20.434 1.00 0.00 C ATOM 0 H LEU A 68 -2.327 2.252 -19.788 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.939 1.395 -22.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.475 1.827 -20.101 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.230 0.311 -19.576 1.00 0.00 H new ATOM 0 HG LEU A 68 0.529 -0.696 -21.819 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.341 0.529 -22.986 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.827 1.464 -23.001 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.132 1.901 -21.872 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.874 -0.956 -21.047 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.661 0.419 -19.938 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.737 -1.080 -19.684 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.184 -0.813 -22.246 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.090 -1.995 -22.247 1.00 0.00 C ATOM 1081 C GLU A 69 -3.074 -2.664 -20.871 1.00 0.00 C ATOM 1082 O GLU A 69 -2.120 -2.552 -20.125 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.625 -2.994 -23.309 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.865 -2.409 -24.701 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.401 -3.502 -25.629 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.003 -4.642 -25.461 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.202 -3.178 -26.490 1.00 0.00 O ATOM 0 H GLU A 69 -1.607 -0.706 -23.080 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.105 -1.669 -22.474 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.567 -3.217 -23.175 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.165 -3.934 -23.200 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.576 -1.585 -24.643 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.937 -2.001 -25.101 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.127 -3.357 -20.528 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.180 -4.033 -19.201 1.00 0.00 C ATOM 1096 C ALA A 70 -3.969 -5.538 -19.383 1.00 0.00 C ATOM 1097 O ALA A 70 -4.009 -6.052 -20.484 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.547 -3.785 -18.561 1.00 0.00 C ATOM 0 H ALA A 70 -4.954 -3.484 -21.111 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.396 -3.633 -18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.589 -4.278 -17.590 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.699 -2.714 -18.431 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.329 -4.186 -19.206 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.748 -6.249 -18.311 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.536 -7.720 -18.422 1.00 0.00 C ATOM 1106 C GLU A 71 -4.386 -8.436 -17.368 1.00 0.00 C ATOM 1107 O GLU A 71 -4.104 -8.381 -16.188 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.055 -8.040 -18.195 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.914 -9.454 -17.625 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.517 -9.994 -17.939 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.445 -9.321 -17.611 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.435 -11.074 -18.502 1.00 0.00 O ATOM 0 H GLU A 71 -3.705 -5.875 -17.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.830 -8.059 -19.415 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.508 -7.960 -19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.618 -7.315 -17.508 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.077 -9.441 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.673 -10.108 -18.054 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.424 -9.109 -17.785 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.289 -9.827 -16.807 1.00 0.00 C ATOM 1121 C GLU A 72 -5.419 -10.431 -15.704 1.00 0.00 C ATOM 1122 O GLU A 72 -4.624 -11.319 -15.941 1.00 0.00 O ATOM 1123 CB GLU A 72 -7.053 -10.944 -17.524 1.00 0.00 C ATOM 1124 CG GLU A 72 -7.982 -11.648 -16.533 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.306 -13.054 -17.044 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -7.984 -13.337 -18.186 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.870 -13.823 -16.284 1.00 0.00 O ATOM 0 H GLU A 72 -5.710 -9.192 -18.761 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.999 -9.126 -16.367 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.632 -10.530 -18.350 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.352 -11.660 -17.953 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.508 -11.706 -15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.901 -11.074 -16.409 1.00 0.00 H new ATOM 1134 N THR A 73 -5.561 -9.954 -14.497 1.00 0.00 N ATOM 1135 CA THR A 73 -4.743 -10.499 -13.377 1.00 0.00 C ATOM 1136 C THR A 73 -5.668 -11.120 -12.328 1.00 0.00 C ATOM 1137 O THR A 73 -6.463 -11.990 -12.625 1.00 0.00 O ATOM 1138 CB THR A 73 -3.937 -9.367 -12.738 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.307 -9.845 -11.557 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.870 -8.207 -12.387 1.00 0.00 C ATOM 0 H THR A 73 -6.209 -9.210 -14.238 1.00 0.00 H new ATOM 0 HA THR A 73 -4.062 -11.260 -13.759 1.00 0.00 H new ATOM 0 HB THR A 73 -3.179 -9.020 -13.440 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.789 -9.121 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.294 -7.402 -11.932 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.352 -7.841 -13.293 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.630 -8.551 -11.685 1.00 0.00 H new ATOM 1223 N LYS A 80 -11.334 -12.130 -11.543 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.863 -11.685 -12.884 1.00 0.00 C ATOM 1225 C LYS A 80 -11.124 -10.186 -13.051 1.00 0.00 C ATOM 1226 O LYS A 80 -12.239 -9.722 -12.928 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.615 -12.459 -13.970 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.524 -13.961 -13.688 1.00 0.00 C ATOM 1229 CD LYS A 80 -12.931 -14.544 -13.548 1.00 0.00 C ATOM 1230 CE LYS A 80 -13.575 -14.660 -14.930 1.00 0.00 C ATOM 1231 NZ LYS A 80 -14.912 -15.307 -14.803 1.00 0.00 N ATOM 0 HA LYS A 80 -9.794 -11.876 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.659 -12.146 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.191 -12.236 -14.949 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.991 -14.461 -14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.955 -14.136 -12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.884 -15.524 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.538 -13.907 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.678 -13.672 -15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.937 -15.246 -15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.350 -15.386 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.801 -16.256 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.519 -14.731 -14.185 1.00 0.00 H new ATOM 1245 N LEU A 81 -10.101 -9.426 -13.336 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.289 -7.958 -13.516 1.00 0.00 C ATOM 1247 C LEU A 81 -9.199 -7.419 -14.444 1.00 0.00 C ATOM 1248 O LEU A 81 -8.172 -8.039 -14.638 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.197 -7.260 -12.157 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.777 -7.399 -11.604 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.971 -6.145 -11.947 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.839 -7.565 -10.084 1.00 0.00 C ATOM 0 H LEU A 81 -9.144 -9.758 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.268 -7.766 -13.954 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.457 -6.206 -12.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.913 -7.699 -11.462 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.297 -8.271 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.959 -6.244 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.929 -6.024 -13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.450 -5.272 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.829 -7.664 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.318 -6.692 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.414 -8.458 -9.839 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.415 -6.269 -15.024 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.391 -5.697 -15.944 1.00 0.00 C ATOM 1266 C LEU A 82 -7.641 -4.564 -15.240 1.00 0.00 C ATOM 1267 O LEU A 82 -8.221 -3.765 -14.530 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.079 -5.152 -17.197 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.702 -6.309 -17.978 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.220 -6.291 -17.796 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.366 -6.162 -19.465 1.00 0.00 C ATOM 0 H LEU A 82 -10.254 -5.702 -14.901 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.684 -6.477 -16.226 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.848 -4.431 -16.919 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.358 -4.624 -17.821 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.303 -7.253 -17.606 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.663 -7.116 -18.353 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.461 -6.397 -16.738 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.620 -5.347 -18.167 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.810 -6.987 -20.022 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.764 -5.218 -19.836 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.284 -6.176 -19.597 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.353 -4.487 -15.439 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.557 -3.408 -14.790 1.00 0.00 C ATOM 1285 C CYS A 83 -4.766 -2.650 -15.858 1.00 0.00 C ATOM 1286 O CYS A 83 -3.757 -3.120 -16.346 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.588 -4.024 -13.778 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.285 -2.829 -13.385 1.00 0.00 S ATOM 0 H CYS A 83 -5.817 -5.127 -16.025 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.228 -2.720 -14.275 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.123 -4.306 -12.871 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.150 -4.935 -14.186 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.463 -3.351 -12.524 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.211 -1.478 -16.224 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.474 -0.698 -17.258 1.00 0.00 C ATOM 1296 C PHE A 84 -3.470 0.222 -16.566 1.00 0.00 C ATOM 1297 O PHE A 84 -3.626 0.571 -15.412 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.457 0.132 -18.090 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.396 0.890 -17.182 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.397 0.208 -16.478 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.271 2.278 -17.051 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.270 0.915 -15.642 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.146 2.984 -16.217 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.144 2.303 -15.511 1.00 0.00 C ATOM 0 H PHE A 84 -6.049 -1.029 -15.854 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.946 -1.382 -17.923 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.910 0.830 -18.724 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.027 -0.521 -18.752 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.495 -0.863 -16.580 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.499 2.804 -17.593 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.041 0.389 -15.098 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.051 4.055 -16.118 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.817 2.848 -14.865 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.431 0.609 -17.254 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.413 1.492 -16.619 1.00 0.00 C ATOM 1316 C ASP A 85 -1.392 2.856 -17.313 1.00 0.00 C ATOM 1317 O ASP A 85 -1.621 2.968 -18.500 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.032 0.841 -16.738 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.183 -0.681 -16.694 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.578 -1.187 -15.657 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.099 -1.313 -17.699 1.00 0.00 O ATOM 0 H ASP A 85 -2.244 0.353 -18.224 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.668 1.631 -15.568 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.446 1.143 -17.670 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.612 1.177 -15.926 1.00 0.00 H new ATOM 1326 N ALA A 86 -1.108 3.894 -16.573 1.00 0.00 N ATOM 1327 CA ALA A 86 -1.059 5.257 -17.173 1.00 0.00 C ATOM 1328 C ALA A 86 0.228 5.952 -16.725 1.00 0.00 C ATOM 1329 O ALA A 86 0.594 5.911 -15.567 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.270 6.067 -16.705 1.00 0.00 C ATOM 0 H ALA A 86 -0.907 3.855 -15.574 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.078 5.182 -18.260 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.233 7.064 -17.145 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.186 5.566 -17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.255 6.149 -15.618 1.00 0.00 H new ATOM 1336 N THR A 87 0.922 6.585 -17.631 1.00 0.00 N ATOM 1337 CA THR A 87 2.187 7.274 -17.249 1.00 0.00 C ATOM 1338 C THR A 87 2.021 8.786 -17.411 1.00 0.00 C ATOM 1339 O THR A 87 1.102 9.255 -18.053 1.00 0.00 O ATOM 1340 CB THR A 87 3.325 6.786 -18.148 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.782 6.072 -19.250 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.253 5.869 -17.350 1.00 0.00 C ATOM 0 H THR A 87 0.669 6.655 -18.617 1.00 0.00 H new ATOM 0 HA THR A 87 2.421 7.047 -16.209 1.00 0.00 H new ATOM 0 HB THR A 87 3.892 7.642 -18.513 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.509 5.760 -19.828 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.063 5.523 -17.992 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.669 6.418 -16.506 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.689 5.011 -16.983 1.00 0.00 H new ATOM 1350 N MET A 88 2.907 9.553 -16.834 1.00 0.00 N ATOM 1351 CA MET A 88 2.805 11.035 -16.956 1.00 0.00 C ATOM 1352 C MET A 88 4.160 11.669 -16.633 1.00 0.00 C ATOM 1353 O MET A 88 4.619 11.637 -15.508 1.00 0.00 O ATOM 1354 CB MET A 88 1.753 11.558 -15.974 1.00 0.00 C ATOM 1355 CG MET A 88 1.537 13.054 -16.212 1.00 0.00 C ATOM 1356 SD MET A 88 0.174 13.640 -15.174 1.00 0.00 S ATOM 1357 CE MET A 88 -0.365 14.991 -16.251 1.00 0.00 C ATOM 0 H MET A 88 3.697 9.217 -16.283 1.00 0.00 H new ATOM 0 HA MET A 88 2.514 11.295 -17.974 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.815 11.018 -16.106 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.079 11.385 -14.948 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.448 13.605 -15.980 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.313 13.237 -17.263 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.214 15.501 -15.797 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.454 15.698 -16.385 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.659 14.588 -17.220 1.00 0.00 H new ATOM 1367 N GLN A 89 4.804 12.243 -17.610 1.00 0.00 N ATOM 1368 CA GLN A 89 6.129 12.877 -17.359 1.00 0.00 C ATOM 1369 C GLN A 89 5.939 14.143 -16.521 1.00 0.00 C ATOM 1370 O GLN A 89 5.026 14.914 -16.742 1.00 0.00 O ATOM 1371 CB GLN A 89 6.780 13.241 -18.696 1.00 0.00 C ATOM 1372 CG GLN A 89 7.258 11.967 -19.395 1.00 0.00 C ATOM 1373 CD GLN A 89 6.095 10.978 -19.503 1.00 0.00 C ATOM 1374 OE1 GLN A 89 5.842 10.218 -18.590 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.373 10.955 -20.590 1.00 0.00 N ATOM 0 H GLN A 89 4.470 12.301 -18.572 1.00 0.00 H new ATOM 0 HA GLN A 89 6.770 12.179 -16.820 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.066 13.769 -19.328 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.620 13.915 -18.532 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.640 12.205 -20.388 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.080 11.519 -18.836 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.585 11.593 -21.357 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.596 10.299 -20.673 1.00 0.00 H new ATOM 1384 N SER A 90 6.797 14.366 -15.563 1.00 0.00 N ATOM 1385 CA SER A 90 6.667 15.583 -14.711 1.00 0.00 C ATOM 1386 C SER A 90 8.045 15.986 -14.185 1.00 0.00 C ATOM 1387 O SER A 90 9.063 15.572 -14.703 1.00 0.00 O ATOM 1388 CB SER A 90 5.736 15.287 -13.536 1.00 0.00 C ATOM 1389 OG SER A 90 5.778 13.897 -13.242 1.00 0.00 O ATOM 0 H SER A 90 7.583 13.758 -15.333 1.00 0.00 H new ATOM 0 HA SER A 90 6.252 16.399 -15.303 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.039 15.864 -12.663 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.717 15.588 -13.780 1.00 0.00 H new ATOM 0 HG SER A 90 5.183 13.704 -12.487 1.00 0.00 H new ATOM 1395 N ALA A 91 8.087 16.791 -13.161 1.00 0.00 N ATOM 1396 CA ALA A 91 9.402 17.221 -12.605 1.00 0.00 C ATOM 1397 C ALA A 91 9.539 16.725 -11.163 1.00 0.00 C ATOM 1398 O ALA A 91 9.911 17.468 -10.278 1.00 0.00 O ATOM 1399 CB ALA A 91 9.491 18.749 -12.630 1.00 0.00 C ATOM 0 H ALA A 91 7.269 17.170 -12.684 1.00 0.00 H new ATOM 0 HA ALA A 91 10.205 16.799 -13.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.452 19.064 -12.224 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.398 19.102 -13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.687 19.170 -12.027 1.00 0.00 H new ATOM 1405 N LEU A 92 9.247 15.473 -10.927 1.00 0.00 N ATOM 1406 CA LEU A 92 9.361 14.922 -9.544 1.00 0.00 C ATOM 1407 C LEU A 92 9.042 16.018 -8.523 1.00 0.00 C ATOM 1408 O LEU A 92 9.893 16.806 -8.160 1.00 0.00 O ATOM 1409 CB LEU A 92 10.787 14.414 -9.313 1.00 0.00 C ATOM 1410 CG LEU A 92 10.796 13.432 -8.140 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.642 12.004 -8.666 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.120 13.554 -7.383 1.00 0.00 C ATOM 0 H LEU A 92 8.934 14.807 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 92 8.655 14.100 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.160 13.925 -10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.453 15.251 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 92 9.969 13.663 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.649 11.305 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.699 11.915 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.468 11.773 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.127 12.855 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.946 13.324 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.231 14.571 -7.006 1.00 0.00 H new ATOM 1424 N ASP A 93 7.825 16.076 -8.058 1.00 0.00 N ATOM 1425 CA ASP A 93 7.460 17.124 -7.064 1.00 0.00 C ATOM 1426 C ASP A 93 6.271 16.647 -6.227 1.00 0.00 C ATOM 1427 O ASP A 93 5.226 16.312 -6.749 1.00 0.00 O ATOM 1428 CB ASP A 93 7.082 18.413 -7.798 1.00 0.00 C ATOM 1429 CG ASP A 93 8.244 19.405 -7.720 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.243 19.168 -8.378 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.114 20.384 -7.004 1.00 0.00 O ATOM 0 H ASP A 93 7.069 15.445 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 93 8.311 17.313 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.846 18.195 -8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.188 18.849 -7.353 1.00 0.00 H new ATOM 1436 N ALA A 94 6.422 16.617 -4.931 1.00 0.00 N ATOM 1437 CA ALA A 94 5.300 16.163 -4.062 1.00 0.00 C ATOM 1438 C ALA A 94 4.054 17.001 -4.359 1.00 0.00 C ATOM 1439 O ALA A 94 2.947 16.502 -4.366 1.00 0.00 O ATOM 1440 CB ALA A 94 5.691 16.331 -2.592 1.00 0.00 C ATOM 0 H ALA A 94 7.273 16.887 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 94 5.088 15.113 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.870 15.999 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.578 15.733 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.904 17.381 -2.390 1.00 0.00 H new ATOM 1446 N LYS A 95 4.227 18.271 -4.605 1.00 0.00 N ATOM 1447 CA LYS A 95 3.052 19.138 -4.902 1.00 0.00 C ATOM 1448 C LYS A 95 2.381 18.661 -6.192 1.00 0.00 C ATOM 1449 O LYS A 95 1.175 18.539 -6.268 1.00 0.00 O ATOM 1450 CB LYS A 95 3.515 20.587 -5.075 1.00 0.00 C ATOM 1451 CG LYS A 95 3.705 21.232 -3.701 1.00 0.00 C ATOM 1452 CD LYS A 95 3.991 22.725 -3.873 1.00 0.00 C ATOM 1453 CE LYS A 95 3.639 23.465 -2.580 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.707 23.233 -1.568 1.00 0.00 N ATOM 0 H LYS A 95 5.130 18.745 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 95 2.341 19.080 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.450 20.616 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.780 21.148 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.811 21.090 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.529 20.752 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.042 22.879 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.408 23.124 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.535 24.532 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.680 23.116 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.468 23.736 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.786 22.214 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.614 23.587 -1.933 1.00 0.00 H new ATOM 1468 N LEU A 96 3.155 18.387 -7.206 1.00 0.00 N ATOM 1469 CA LEU A 96 2.564 17.915 -8.490 1.00 0.00 C ATOM 1470 C LEU A 96 1.957 16.524 -8.287 1.00 0.00 C ATOM 1471 O LEU A 96 0.763 16.335 -8.404 1.00 0.00 O ATOM 1472 CB LEU A 96 3.656 17.846 -9.560 1.00 0.00 C ATOM 1473 CG LEU A 96 3.027 18.008 -10.944 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.854 19.495 -11.256 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.938 17.370 -11.995 1.00 0.00 C ATOM 0 H LEU A 96 4.172 18.470 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 96 1.787 18.608 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.395 18.629 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.181 16.893 -9.497 1.00 0.00 H new ATOM 0 HG LEU A 96 2.053 17.518 -10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.406 19.610 -12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.206 19.951 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.827 19.986 -11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.491 17.485 -12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.911 17.860 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.062 16.310 -11.774 1.00 0.00 H new ATOM 1487 N ILE A 97 2.772 15.551 -7.983 1.00 0.00 N ATOM 1488 CA ILE A 97 2.243 14.175 -7.772 1.00 0.00 C ATOM 1489 C ILE A 97 0.952 14.245 -6.955 1.00 0.00 C ATOM 1490 O ILE A 97 0.040 13.464 -7.148 1.00 0.00 O ATOM 1491 CB ILE A 97 3.279 13.341 -7.014 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.431 12.982 -7.955 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.626 12.058 -6.498 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.704 12.750 -7.137 1.00 0.00 C ATOM 0 H ILE A 97 3.781 15.650 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 97 2.039 13.713 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 97 3.662 13.917 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.184 12.086 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.590 13.784 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.365 11.465 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.805 12.312 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.242 11.481 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.525 12.494 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.953 13.657 -6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.541 11.933 -6.434 1.00 0.00 H new ATOM 1506 N ASP A 98 0.866 15.174 -6.044 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.366 15.295 -5.216 1.00 0.00 C ATOM 1508 C ASP A 98 -1.537 15.729 -6.101 1.00 0.00 C ATOM 1509 O ASP A 98 -2.603 15.148 -6.066 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.144 16.337 -4.118 1.00 0.00 C ATOM 1511 CG ASP A 98 0.451 15.659 -2.882 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -0.155 14.717 -2.398 1.00 0.00 O ATOM 1513 OD2 ASP A 98 1.501 16.094 -2.440 1.00 0.00 O ATOM 0 H ASP A 98 1.596 15.855 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.592 14.331 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.526 17.119 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.088 16.818 -3.863 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.346 16.746 -6.896 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.447 17.218 -7.782 1.00 0.00 C ATOM 1520 C GLU A 99 -2.832 16.103 -8.758 1.00 0.00 C ATOM 1521 O GLU A 99 -3.987 15.929 -9.092 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.978 18.443 -8.570 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.074 19.688 -7.686 1.00 0.00 C ATOM 1524 CD GLU A 99 -0.844 20.570 -7.912 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -0.378 20.625 -9.039 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.388 21.175 -6.955 1.00 0.00 O ATOM 0 H GLU A 99 -0.474 17.271 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.312 17.484 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.951 18.301 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.590 18.570 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.982 20.244 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.139 19.398 -6.637 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.873 15.348 -9.220 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.185 14.248 -10.176 1.00 0.00 C ATOM 1535 C GLN A 100 -2.952 13.139 -9.452 1.00 0.00 C ATOM 1536 O GLN A 100 -3.987 12.692 -9.903 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.881 13.680 -10.741 1.00 0.00 C ATOM 1538 CG GLN A 100 0.020 14.828 -11.202 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.651 15.571 -12.358 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -1.307 14.969 -13.184 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.515 16.865 -12.452 1.00 0.00 N ATOM 0 H GLN A 100 -0.887 15.445 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.796 14.638 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.372 13.087 -9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.094 13.013 -11.577 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.206 15.513 -10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.988 14.440 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.036 17.372 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.959 17.370 -13.219 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.449 12.689 -8.337 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.144 11.606 -7.586 1.00 0.00 C ATOM 1552 C VAL A 101 -4.533 12.085 -7.153 1.00 0.00 C ATOM 1553 O VAL A 101 -5.505 11.362 -7.242 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.324 11.239 -6.348 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.198 10.455 -5.369 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.129 10.379 -6.767 1.00 0.00 C ATOM 0 H VAL A 101 -1.585 13.025 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.249 10.732 -8.229 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.967 12.149 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.613 10.194 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.050 11.067 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.556 9.544 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.543 10.116 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.487 9.469 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.505 10.938 -7.464 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.631 13.298 -6.682 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.955 13.821 -6.238 1.00 0.00 C ATOM 1568 C GLU A 102 -6.928 13.836 -7.420 1.00 0.00 C ATOM 1569 O GLU A 102 -8.096 13.528 -7.277 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.783 15.243 -5.700 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.154 15.909 -5.571 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.112 16.950 -4.450 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.379 17.914 -4.591 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.816 16.765 -3.470 1.00 0.00 O ATOM 0 H GLU A 102 -3.852 13.950 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.354 13.178 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.286 15.219 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.147 15.822 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.430 16.384 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.916 15.159 -5.357 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.464 14.196 -8.584 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.371 14.234 -9.767 1.00 0.00 C ATOM 1583 C LYS A 103 -7.710 12.806 -10.201 1.00 0.00 C ATOM 1584 O LYS A 103 -8.815 12.522 -10.622 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.679 14.968 -10.918 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.783 16.478 -10.695 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.383 17.213 -11.976 1.00 0.00 C ATOM 1588 CE LYS A 103 -4.865 17.140 -12.151 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.197 17.563 -10.889 1.00 0.00 N ATOM 0 H LYS A 103 -5.498 14.465 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.289 14.758 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.632 14.669 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.142 14.697 -11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.801 16.745 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.135 16.780 -9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.881 16.765 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.705 18.253 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.567 16.124 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.552 17.783 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.205 17.807 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.687 18.393 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.231 16.785 -10.200 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.772 11.905 -10.104 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.047 10.498 -10.512 1.00 0.00 C ATOM 1605 C LEU A 104 -8.000 9.853 -9.505 1.00 0.00 C ATOM 1606 O LEU A 104 -8.830 9.038 -9.855 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.734 9.713 -10.550 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.847 10.254 -11.672 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.482 9.566 -11.620 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.508 9.974 -13.024 1.00 0.00 C ATOM 0 H LEU A 104 -5.828 12.081 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.504 10.488 -11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.220 9.798 -9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.936 8.654 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.717 11.329 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.850 9.951 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.011 9.764 -10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.611 8.491 -11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.876 10.359 -13.825 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.638 8.899 -13.150 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.481 10.464 -13.062 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.886 10.210 -8.256 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.784 9.617 -7.225 1.00 0.00 C ATOM 1624 C VAL A 105 -10.223 10.084 -7.466 1.00 0.00 C ATOM 1625 O VAL A 105 -11.094 9.301 -7.791 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.326 10.066 -5.835 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.512 10.038 -4.869 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.236 9.119 -5.327 1.00 0.00 C ATOM 0 H VAL A 105 -7.209 10.887 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.743 8.530 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.931 11.080 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.183 10.358 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.290 10.711 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.909 9.025 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.909 9.438 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.633 8.105 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.389 9.138 -6.013 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.481 11.354 -7.303 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.864 11.868 -7.518 1.00 0.00 C ATOM 1640 C ASN A 106 -12.424 11.316 -8.832 1.00 0.00 C ATOM 1641 O ASN A 106 -13.571 10.921 -8.911 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.835 13.397 -7.582 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.851 13.970 -6.164 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.871 14.436 -5.696 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.755 13.955 -5.455 1.00 0.00 N ATOM 0 H ASN A 106 -9.794 12.057 -7.030 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.499 11.547 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.943 13.732 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.694 13.764 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.755 14.334 -4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.899 13.564 -5.848 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.628 11.292 -9.864 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.117 10.773 -11.174 1.00 0.00 C ATOM 1654 C LEU A 107 -12.454 9.284 -11.051 1.00 0.00 C ATOM 1655 O LEU A 107 -13.537 8.854 -11.392 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.026 10.962 -12.231 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.429 10.237 -13.517 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.086 11.113 -14.724 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.662 8.915 -13.614 1.00 0.00 C ATOM 0 H LEU A 107 -10.659 11.609 -9.858 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.013 11.320 -11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.878 12.023 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.077 10.572 -11.863 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.501 10.039 -13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.373 10.598 -15.641 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.627 12.057 -14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.014 11.309 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.947 8.396 -14.529 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.591 9.116 -13.629 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.902 8.291 -12.753 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.533 8.494 -10.572 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.802 7.033 -10.435 1.00 0.00 C ATOM 1673 C ALA A 108 -13.196 6.817 -9.840 1.00 0.00 C ATOM 1674 O ALA A 108 -14.032 6.151 -10.420 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.754 6.405 -9.514 1.00 0.00 C ATOM 0 H ALA A 108 -10.607 8.796 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.752 6.565 -11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.950 5.338 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.761 6.553 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.803 6.877 -8.532 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.453 7.368 -8.686 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.791 7.187 -8.053 1.00 0.00 C ATOM 1683 C GLU A 109 -15.880 7.745 -8.972 1.00 0.00 C ATOM 1684 O GLU A 109 -16.927 7.150 -9.140 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.823 7.927 -6.715 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.709 7.399 -5.811 1.00 0.00 C ATOM 1687 CD GLU A 109 -14.154 6.086 -5.164 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -15.060 5.464 -5.695 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.583 5.726 -4.148 1.00 0.00 O ATOM 0 H GLU A 109 -12.794 7.936 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.971 6.125 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.697 8.998 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.792 7.789 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.800 7.241 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.472 8.134 -5.041 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.648 8.884 -9.566 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.678 9.475 -10.468 1.00 0.00 C ATOM 1698 C LYS A 110 -17.135 8.424 -11.482 1.00 0.00 C ATOM 1699 O LYS A 110 -18.276 8.407 -11.899 1.00 0.00 O ATOM 1700 CB LYS A 110 -16.081 10.674 -11.211 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.120 11.794 -11.305 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.938 12.553 -12.621 1.00 0.00 C ATOM 1703 CE LYS A 110 -15.649 13.374 -12.564 1.00 0.00 C ATOM 1704 NZ LYS A 110 -15.834 14.640 -13.330 1.00 0.00 N ATOM 0 H LYS A 110 -14.792 9.430 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.532 9.803 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.193 11.032 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.765 10.374 -12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.125 11.377 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.012 12.476 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.898 11.852 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.791 13.208 -12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -15.392 13.597 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -14.821 12.801 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -14.958 15.200 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.060 14.417 -14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.613 15.188 -12.912 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.254 7.549 -11.884 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.643 6.503 -12.872 1.00 0.00 C ATOM 1720 C PHE A 111 -17.105 5.244 -12.132 1.00 0.00 C ATOM 1721 O PHE A 111 -18.282 4.951 -12.063 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.439 6.161 -13.753 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.416 7.079 -14.952 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.462 7.042 -15.881 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.349 7.967 -15.134 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.442 7.892 -16.993 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.328 8.817 -16.247 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.374 8.780 -17.176 1.00 0.00 C ATOM 0 H PHE A 111 -15.284 7.513 -11.572 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.456 6.878 -13.494 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.516 6.267 -13.183 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.496 5.122 -14.078 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.285 6.357 -15.740 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.542 7.997 -14.416 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.250 7.863 -17.710 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.504 9.501 -16.388 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.358 9.436 -18.034 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.187 4.497 -11.581 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.574 3.259 -10.849 1.00 0.00 C ATOM 1740 C ASP A 112 -15.358 2.339 -10.727 1.00 0.00 C ATOM 1741 O ASP A 112 -15.473 1.131 -10.787 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.683 2.537 -11.616 1.00 0.00 C ATOM 1743 CG ASP A 112 -19.037 2.859 -10.982 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -19.109 2.878 -9.764 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.980 3.082 -11.724 1.00 0.00 O ATOM 0 H ASP A 112 -15.186 4.691 -11.607 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.933 3.523 -9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.677 2.846 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.509 1.461 -11.600 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.193 2.901 -10.556 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.971 2.058 -10.433 1.00 0.00 C ATOM 1752 C ILE A 113 -12.304 2.317 -9.081 1.00 0.00 C ATOM 1753 O ILE A 113 -12.738 3.150 -8.311 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.994 2.410 -11.555 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.604 3.886 -11.445 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.657 2.158 -12.911 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.926 4.333 -12.741 1.00 0.00 C ATOM 0 H ILE A 113 -14.035 3.907 -10.496 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.248 1.006 -10.506 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.102 1.789 -11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.489 4.494 -11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.931 4.033 -10.600 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.959 2.409 -13.710 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.936 1.107 -12.990 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.549 2.778 -13.000 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.648 5.384 -12.663 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.032 3.733 -12.909 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.614 4.201 -13.576 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.246 1.612 -8.792 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.542 1.816 -7.495 1.00 0.00 C ATOM 1771 C ILE A 114 -9.066 2.109 -7.767 1.00 0.00 C ATOM 1772 O ILE A 114 -8.301 1.227 -8.103 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.663 0.552 -6.642 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.552 0.540 -5.588 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.528 -0.681 -7.537 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.555 1.868 -4.829 1.00 0.00 C ATOM 0 H ILE A 114 -10.837 0.902 -9.399 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.991 2.654 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.634 0.539 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.703 -0.288 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.585 0.384 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.614 -1.582 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.317 -0.673 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.556 -0.668 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.764 1.860 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.384 2.687 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.519 2.005 -4.339 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.660 3.342 -7.633 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.233 3.683 -7.893 1.00 0.00 C ATOM 1790 C TYR A 115 -6.453 3.656 -6.577 1.00 0.00 C ATOM 1791 O TYR A 115 -6.747 4.390 -5.655 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.148 5.082 -8.509 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.753 5.638 -8.335 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.644 4.780 -8.327 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.569 7.018 -8.183 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.355 5.303 -8.168 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.279 7.540 -8.024 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.173 6.683 -8.016 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.903 7.198 -7.859 1.00 0.00 O ATOM 0 H TYR A 115 -9.252 4.125 -7.356 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.805 2.955 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.402 5.038 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.874 5.742 -8.034 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.784 3.715 -8.444 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.422 7.680 -8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.501 4.642 -8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.138 8.604 -7.908 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.509 7.372 -8.739 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.461 2.813 -6.481 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.666 2.741 -5.223 1.00 0.00 C ATOM 1811 C ASP A 116 -3.351 2.006 -5.488 1.00 0.00 C ATOM 1812 O ASP A 116 -3.177 0.867 -5.102 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.467 1.986 -4.159 1.00 0.00 C ATOM 1814 CG ASP A 116 -5.083 2.500 -2.771 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -5.044 3.706 -2.597 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.834 1.677 -1.905 1.00 0.00 O ATOM 0 H ASP A 116 -5.167 2.172 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.451 3.750 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.535 2.124 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.269 0.917 -4.230 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.421 2.646 -6.144 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.120 1.980 -6.430 1.00 0.00 C ATOM 1823 C GLY A 117 -0.326 2.811 -7.439 1.00 0.00 C ATOM 1824 O GLY A 117 -0.519 2.704 -8.635 1.00 0.00 O ATOM 0 H GLY A 117 -2.507 3.600 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.549 1.866 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.292 0.979 -6.824 1.00 0.00 H new ATOM 1828 N TRP A 118 0.567 3.639 -6.970 1.00 0.00 N ATOM 1829 CA TRP A 118 1.373 4.474 -7.904 1.00 0.00 C ATOM 1830 C TRP A 118 2.863 4.212 -7.673 1.00 0.00 C ATOM 1831 O TRP A 118 3.317 4.103 -6.552 1.00 0.00 O ATOM 1832 CB TRP A 118 1.073 5.955 -7.658 1.00 0.00 C ATOM 1833 CG TRP A 118 1.897 6.446 -6.511 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.737 6.068 -5.222 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.004 7.396 -6.524 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.673 6.725 -4.443 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.476 7.554 -5.200 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.637 8.127 -7.546 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.539 8.409 -4.899 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.707 8.987 -7.246 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.156 9.128 -5.926 1.00 0.00 C ATOM 0 H TRP A 118 0.773 3.773 -5.980 1.00 0.00 H new ATOM 0 HA TRP A 118 1.114 4.216 -8.931 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.294 6.536 -8.554 1.00 0.00 H new ATOM 0 HB3 TRP A 118 0.013 6.092 -7.443 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.999 5.368 -4.860 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.759 6.611 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.299 8.027 -8.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.881 8.513 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.187 9.543 -8.038 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.978 9.792 -5.703 1.00 0.00 H new ATOM 1852 N GLY A 119 3.624 4.116 -8.728 1.00 0.00 N ATOM 1853 CA GLY A 119 5.085 3.867 -8.576 1.00 0.00 C ATOM 1854 C GLY A 119 5.855 4.827 -9.484 1.00 0.00 C ATOM 1855 O GLY A 119 5.317 5.360 -10.435 1.00 0.00 O ATOM 0 H GLY A 119 3.297 4.199 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.385 4.010 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.319 2.835 -8.836 1.00 0.00 H new ATOM 1859 N THR A 120 7.108 5.056 -9.202 1.00 0.00 N ATOM 1860 CA THR A 120 7.901 5.985 -10.055 1.00 0.00 C ATOM 1861 C THR A 120 9.190 5.295 -10.506 1.00 0.00 C ATOM 1862 O THR A 120 9.721 4.442 -9.825 1.00 0.00 O ATOM 1863 CB THR A 120 8.252 7.242 -9.254 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.021 8.120 -10.065 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.058 6.852 -8.015 1.00 0.00 C ATOM 0 H THR A 120 7.616 4.641 -8.420 1.00 0.00 H new ATOM 0 HA THR A 120 7.312 6.262 -10.929 1.00 0.00 H new ATOM 0 HB THR A 120 7.335 7.743 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.245 8.926 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.307 7.748 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.467 6.180 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.976 6.350 -8.321 1.00 0.00 H new ATOM 1873 N TYR A 121 9.697 5.660 -11.652 1.00 0.00 N ATOM 1874 CA TYR A 121 10.951 5.028 -12.147 1.00 0.00 C ATOM 1875 C TYR A 121 12.151 5.855 -11.682 1.00 0.00 C ATOM 1876 O TYR A 121 12.194 7.056 -11.861 1.00 0.00 O ATOM 1877 CB TYR A 121 10.927 4.976 -13.675 1.00 0.00 C ATOM 1878 CG TYR A 121 11.358 3.608 -14.144 1.00 0.00 C ATOM 1879 CD1 TYR A 121 12.444 2.968 -13.533 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.674 2.979 -15.191 1.00 0.00 C ATOM 1881 CE1 TYR A 121 12.845 1.699 -13.969 1.00 0.00 C ATOM 1882 CE2 TYR A 121 11.076 1.710 -15.628 1.00 0.00 C ATOM 1883 CZ TYR A 121 12.161 1.070 -15.017 1.00 0.00 C ATOM 1884 OH TYR A 121 12.556 -0.180 -15.447 1.00 0.00 O ATOM 0 H TYR A 121 9.296 6.369 -12.266 1.00 0.00 H new ATOM 0 HA TYR A 121 11.031 4.015 -11.752 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.924 5.197 -14.040 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.591 5.737 -14.085 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.972 3.453 -12.726 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.836 3.472 -15.662 1.00 0.00 H new ATOM 0 HE1 TYR A 121 13.682 1.205 -13.497 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.549 1.225 -16.436 1.00 0.00 H new ATOM 0 HH TYR A 121 11.975 -0.472 -16.180 1.00 0.00 H new