USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 44 HIS : no HD1:sc= -0.366 X(o=-0.63,f=-0.49) USER MOD Set 1.2: A 93 MET CE :methyl -171:sc= -0.262 (180deg=-0.442) USER MOD Set 2.1: A 89 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-1.5) USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.817 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.344 X(o=0.34,f=-0.11) USER MOD Single : A 29 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0032) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -101:sc= 0.524 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.138 X(o=-0.14,f=-0.12) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 68 LYS NZ :NH3+ -117:sc= 0.563 (180deg=0) USER MOD Single : A 69 MET CE :methyl -171:sc= -0.261 (180deg=-0.45) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc=-0.00666 (180deg=-0.144) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 2.19 (180deg=1.69) USER MOD Single : A 77 SER OG : rot 55:sc= 0.323 USER MOD Single : A 78 MET CE :methyl 163:sc= -0.606 (180deg=-1.14) USER MOD Single : A 80 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.34) USER MOD Single : A 82 TYR OH : rot -35:sc= 0.0685 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.142 -3.575 2.433 1.00 0.00 N ATOM 127 CA PHE A 11 -12.116 -3.034 1.083 1.00 0.00 C ATOM 128 C PHE A 11 -10.954 -2.061 0.930 1.00 0.00 C ATOM 129 O PHE A 11 -11.092 -0.979 0.368 1.00 0.00 O ATOM 130 CB PHE A 11 -13.470 -2.435 0.698 1.00 0.00 C ATOM 131 CG PHE A 11 -14.670 -3.258 1.117 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.592 -4.657 1.184 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.871 -2.615 1.443 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.707 -5.407 1.582 1.00 0.00 C ATOM 135 CE2 PHE A 11 -16.989 -3.364 1.837 1.00 0.00 C ATOM 136 CZ PHE A 11 -16.906 -4.761 1.909 1.00 0.00 C ATOM 0 HA PHE A 11 -11.944 -3.844 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.553 -1.444 1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.498 -2.301 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.670 -5.158 0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.936 -1.538 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.642 -6.484 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.914 -2.864 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.765 -5.339 2.216 1.00 0.00 H new ATOM 146 N VAL A 12 -9.797 -2.475 1.448 1.00 0.00 N ATOM 147 CA VAL A 12 -8.556 -1.724 1.382 1.00 0.00 C ATOM 148 C VAL A 12 -7.473 -2.681 0.907 1.00 0.00 C ATOM 149 O VAL A 12 -7.558 -3.883 1.150 1.00 0.00 O ATOM 150 CB VAL A 12 -8.216 -1.163 2.772 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.853 -0.473 2.789 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.261 -0.142 3.217 1.00 0.00 C ATOM 0 H VAL A 12 -9.701 -3.365 1.936 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.641 -0.882 0.695 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.201 -2.015 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.651 -0.091 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.079 -1.189 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.855 0.353 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.999 0.241 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.291 0.682 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.240 -0.619 3.262 1.00 0.00 H new ATOM 162 N VAL A 13 -6.452 -2.153 0.230 1.00 0.00 N ATOM 163 CA VAL A 13 -5.329 -2.961 -0.224 1.00 0.00 C ATOM 164 C VAL A 13 -4.018 -2.216 -0.039 1.00 0.00 C ATOM 165 O VAL A 13 -3.993 -0.991 0.073 1.00 0.00 O ATOM 166 CB VAL A 13 -5.496 -3.367 -1.695 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.699 -4.289 -1.864 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.662 -2.152 -2.609 1.00 0.00 C ATOM 0 H VAL A 13 -6.384 -1.165 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.309 -3.866 0.384 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.585 -3.892 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.801 -4.566 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.556 -5.188 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.601 -3.773 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.777 -2.486 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.546 -1.589 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.782 -1.514 -2.530 1.00 0.00 H new ATOM 178 N LYS A 14 -2.924 -2.976 -0.007 1.00 0.00 N ATOM 179 CA LYS A 14 -1.583 -2.430 0.095 1.00 0.00 C ATOM 180 C LYS A 14 -1.045 -2.175 -1.307 1.00 0.00 C ATOM 181 O LYS A 14 -1.556 -2.726 -2.281 1.00 0.00 O ATOM 182 CB LYS A 14 -0.664 -3.422 0.820 1.00 0.00 C ATOM 183 CG LYS A 14 -1.358 -4.088 2.011 1.00 0.00 C ATOM 184 CD LYS A 14 -0.350 -4.897 2.827 1.00 0.00 C ATOM 185 CE LYS A 14 -1.093 -5.791 3.820 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.153 -6.506 4.703 1.00 0.00 N ATOM 0 H LYS A 14 -2.950 -3.995 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.614 -1.498 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.334 -4.188 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.229 -2.901 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.821 -3.329 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.157 -4.740 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.265 -5.506 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.324 -4.226 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.771 -5.185 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.705 -6.511 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.686 -7.104 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.478 -7.102 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.413 -5.817 5.238 1.00 0.00 H new ATOM 200 N LEU A 15 -0.013 -1.340 -1.407 1.00 0.00 N ATOM 201 CA LEU A 15 0.683 -1.054 -2.644 1.00 0.00 C ATOM 202 C LEU A 15 2.169 -1.086 -2.311 1.00 0.00 C ATOM 203 O LEU A 15 2.599 -0.464 -1.340 1.00 0.00 O ATOM 204 CB LEU A 15 0.226 0.324 -3.119 1.00 0.00 C ATOM 205 CG LEU A 15 0.271 0.534 -4.633 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.633 0.229 -5.248 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.791 -0.321 -5.321 1.00 0.00 C ATOM 0 H LEU A 15 0.366 -0.835 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 15 0.478 -1.769 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.795 0.490 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.850 1.081 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 15 0.072 1.594 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.593 0.399 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.386 0.881 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.895 -0.811 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.746 -0.160 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.608 -1.373 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.778 -0.041 -4.953 1.00 0.00 H new ATOM 219 N ARG A 16 2.952 -1.806 -3.113 1.00 0.00 N ATOM 220 CA ARG A 16 4.361 -2.027 -2.827 1.00 0.00 C ATOM 221 C ARG A 16 5.179 -1.916 -4.104 1.00 0.00 C ATOM 222 O ARG A 16 4.631 -1.978 -5.204 1.00 0.00 O ATOM 223 CB ARG A 16 4.549 -3.419 -2.214 1.00 0.00 C ATOM 224 CG ARG A 16 3.697 -3.606 -0.956 1.00 0.00 C ATOM 225 CD ARG A 16 3.983 -4.970 -0.328 1.00 0.00 C ATOM 226 NE ARG A 16 5.354 -5.034 0.190 1.00 0.00 N ATOM 227 CZ ARG A 16 6.013 -6.162 0.462 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.472 -7.354 0.216 1.00 0.00 N ATOM 229 NH2 ARG A 16 7.232 -6.090 0.988 1.00 0.00 N ATOM 0 H ARG A 16 2.627 -2.248 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 16 4.702 -1.270 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.283 -4.179 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.600 -3.568 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.914 -2.814 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.639 -3.527 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.276 -5.157 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.834 -5.754 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 16 5.839 -4.152 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.537 -7.416 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.992 -8.204 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.652 -5.180 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.747 -6.944 1.201 1.00 0.00 H new ATOM 243 N GLY A 17 6.494 -1.750 -3.960 1.00 0.00 N ATOM 244 CA GLY A 17 7.374 -1.654 -5.107 1.00 0.00 C ATOM 245 C GLY A 17 7.680 -0.202 -5.433 1.00 0.00 C ATOM 246 O GLY A 17 7.857 0.612 -4.527 1.00 0.00 O ATOM 0 H GLY A 17 6.965 -1.680 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.302 -2.189 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.910 -2.135 -5.968 1.00 0.00 H new ATOM 250 N LEU A 18 7.738 0.104 -6.734 1.00 0.00 N ATOM 251 CA LEU A 18 7.970 1.449 -7.249 1.00 0.00 C ATOM 252 C LEU A 18 9.421 1.861 -6.991 1.00 0.00 C ATOM 253 O LEU A 18 10.076 1.266 -6.140 1.00 0.00 O ATOM 254 CB LEU A 18 6.995 2.449 -6.598 1.00 0.00 C ATOM 255 CG LEU A 18 5.557 1.926 -6.489 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.647 3.044 -5.993 1.00 0.00 C ATOM 257 CD2 LEU A 18 5.050 1.443 -7.842 1.00 0.00 C ATOM 0 H LEU A 18 7.622 -0.594 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 18 7.792 1.453 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.358 2.700 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.994 3.372 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 18 5.549 1.090 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.625 2.674 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.986 3.382 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.678 3.877 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.029 1.077 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.069 2.268 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.689 0.637 -8.204 1.00 0.00 H new ATOM 269 N PRO A 19 9.948 2.867 -7.702 1.00 0.00 N ATOM 270 CA PRO A 19 11.269 3.428 -7.462 1.00 0.00 C ATOM 271 C PRO A 19 11.291 4.242 -6.163 1.00 0.00 C ATOM 272 O PRO A 19 12.045 5.208 -6.049 1.00 0.00 O ATOM 273 CB PRO A 19 11.558 4.294 -8.691 1.00 0.00 C ATOM 274 CG PRO A 19 10.169 4.760 -9.117 1.00 0.00 C ATOM 275 CD PRO A 19 9.298 3.544 -8.809 1.00 0.00 C ATOM 0 HA PRO A 19 12.031 2.659 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.209 5.134 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.052 3.725 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.848 5.640 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.137 5.024 -10.174 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.285 3.845 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.219 2.889 -9.677 1.00 0.00 H new ATOM 283 N TRP A 20 10.465 3.855 -5.181 1.00 0.00 N ATOM 284 CA TRP A 20 10.276 4.589 -3.937 1.00 0.00 C ATOM 285 C TRP A 20 9.933 6.062 -4.190 1.00 0.00 C ATOM 286 O TRP A 20 10.223 6.930 -3.367 1.00 0.00 O ATOM 287 CB TRP A 20 11.474 4.372 -3.002 1.00 0.00 C ATOM 288 CG TRP A 20 11.402 3.155 -2.126 1.00 0.00 C ATOM 289 CD1 TRP A 20 10.272 2.646 -1.584 1.00 0.00 C ATOM 290 CD2 TRP A 20 12.480 2.282 -1.659 1.00 0.00 C ATOM 291 NE1 TRP A 20 10.573 1.560 -0.791 1.00 0.00 N ATOM 292 CE2 TRP A 20 11.928 1.311 -0.772 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.875 2.239 -1.854 1.00 0.00 C ATOM 294 CZ2 TRP A 20 12.718 0.382 -0.084 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.668 1.299 -1.176 1.00 0.00 C ATOM 296 CH2 TRP A 20 14.095 0.376 -0.303 1.00 0.00 C ATOM 0 H TRP A 20 9.902 3.006 -5.237 1.00 0.00 H new ATOM 0 HA TRP A 20 9.405 4.189 -3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.378 4.308 -3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.578 5.250 -2.365 1.00 0.00 H new ATOM 0 HD1 TRP A 20 9.278 3.034 -1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.880 1.010 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.340 2.938 -2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.268 -0.318 0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 15.736 1.291 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.719 -0.345 0.205 1.00 0.00 H new ATOM 307 N SER A 21 9.309 6.340 -5.339 1.00 0.00 N ATOM 308 CA SER A 21 8.814 7.661 -5.694 1.00 0.00 C ATOM 309 C SER A 21 7.577 7.487 -6.573 1.00 0.00 C ATOM 310 O SER A 21 7.617 6.750 -7.558 1.00 0.00 O ATOM 311 CB SER A 21 9.901 8.433 -6.441 1.00 0.00 C ATOM 312 OG SER A 21 9.427 9.719 -6.776 1.00 0.00 O ATOM 0 H SER A 21 9.134 5.637 -6.057 1.00 0.00 H new ATOM 0 HA SER A 21 8.550 8.225 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.794 8.514 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.188 7.894 -7.344 1.00 0.00 H new ATOM 0 HG SER A 21 10.127 10.212 -7.253 1.00 0.00 H new ATOM 318 N CYS A 22 6.479 8.163 -6.220 1.00 0.00 N ATOM 319 CA CYS A 22 5.208 8.011 -6.915 1.00 0.00 C ATOM 320 C CYS A 22 4.254 9.151 -6.545 1.00 0.00 C ATOM 321 O CYS A 22 4.565 9.966 -5.676 1.00 0.00 O ATOM 322 CB CYS A 22 4.618 6.658 -6.499 1.00 0.00 C ATOM 323 SG CYS A 22 3.188 6.217 -7.523 1.00 0.00 S ATOM 0 H CYS A 22 6.452 8.827 -5.447 1.00 0.00 H new ATOM 0 HA CYS A 22 5.355 8.048 -7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.381 5.885 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.319 6.696 -5.451 1.00 0.00 H new ATOM 0 HG CYS A 22 2.719 5.066 -7.141 1.00 0.00 H new ATOM 329 N SER A 23 3.095 9.201 -7.208 1.00 0.00 N ATOM 330 CA SER A 23 2.042 10.164 -6.916 1.00 0.00 C ATOM 331 C SER A 23 0.693 9.451 -6.930 1.00 0.00 C ATOM 332 O SER A 23 0.572 8.348 -7.465 1.00 0.00 O ATOM 333 CB SER A 23 2.060 11.298 -7.944 1.00 0.00 C ATOM 334 OG SER A 23 3.312 11.953 -7.928 1.00 0.00 O ATOM 0 H SER A 23 2.864 8.564 -7.971 1.00 0.00 H new ATOM 0 HA SER A 23 2.209 10.598 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.863 10.899 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.266 12.011 -7.723 1.00 0.00 H new ATOM 0 HG SER A 23 3.312 12.675 -8.591 1.00 0.00 H new ATOM 340 N VAL A 24 -0.331 10.077 -6.341 1.00 0.00 N ATOM 341 CA VAL A 24 -1.634 9.444 -6.182 1.00 0.00 C ATOM 342 C VAL A 24 -2.324 9.200 -7.520 1.00 0.00 C ATOM 343 O VAL A 24 -3.274 8.423 -7.587 1.00 0.00 O ATOM 344 CB VAL A 24 -2.538 10.257 -5.239 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.738 11.177 -4.316 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.562 11.113 -5.975 1.00 0.00 C ATOM 0 H VAL A 24 -0.277 11.024 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.457 8.469 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.061 9.501 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.422 11.729 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.063 10.580 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.159 11.879 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.166 11.660 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.046 11.820 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.207 10.472 -6.576 1.00 0.00 H new ATOM 356 N GLU A 25 -1.859 9.852 -8.590 1.00 0.00 N ATOM 357 CA GLU A 25 -2.464 9.706 -9.902 1.00 0.00 C ATOM 358 C GLU A 25 -1.933 8.476 -10.632 1.00 0.00 C ATOM 359 O GLU A 25 -2.623 7.923 -11.483 1.00 0.00 O ATOM 360 CB GLU A 25 -2.175 10.952 -10.734 1.00 0.00 C ATOM 361 CG GLU A 25 -2.726 12.201 -10.044 1.00 0.00 C ATOM 362 CD GLU A 25 -2.575 13.428 -10.942 1.00 0.00 C ATOM 363 OE1 GLU A 25 -1.516 14.086 -10.850 1.00 0.00 O ATOM 364 OE2 GLU A 25 -3.522 13.699 -11.716 1.00 0.00 O ATOM 0 H GLU A 25 -1.061 10.487 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.538 9.581 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.100 11.056 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.624 10.848 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.777 12.052 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.199 12.365 -9.104 1.00 0.00 H new ATOM 371 N ASP A 26 -0.713 8.040 -10.307 1.00 0.00 N ATOM 372 CA ASP A 26 -0.131 6.865 -10.935 1.00 0.00 C ATOM 373 C ASP A 26 -0.665 5.599 -10.276 1.00 0.00 C ATOM 374 O ASP A 26 -0.848 4.584 -10.945 1.00 0.00 O ATOM 375 CB ASP A 26 1.390 6.920 -10.808 1.00 0.00 C ATOM 376 CG ASP A 26 1.964 8.131 -11.538 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.975 8.101 -12.788 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.387 9.079 -10.838 1.00 0.00 O ATOM 0 H ASP A 26 -0.115 8.487 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.404 6.850 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.668 6.962 -9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.824 6.007 -11.216 1.00 0.00 H new ATOM 383 N VAL A 27 -0.920 5.644 -8.967 1.00 0.00 N ATOM 384 CA VAL A 27 -1.453 4.483 -8.271 1.00 0.00 C ATOM 385 C VAL A 27 -2.911 4.246 -8.659 1.00 0.00 C ATOM 386 O VAL A 27 -3.302 3.100 -8.864 1.00 0.00 O ATOM 387 CB VAL A 27 -1.270 4.648 -6.758 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.026 5.854 -6.214 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.737 3.395 -6.023 1.00 0.00 C ATOM 0 H VAL A 27 -0.767 6.463 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.898 3.595 -8.572 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.205 4.807 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.866 5.929 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.663 6.760 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.091 5.737 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.600 3.530 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.792 3.221 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.153 2.538 -6.358 1.00 0.00 H new ATOM 399 N GLN A 28 -3.728 5.300 -8.769 1.00 0.00 N ATOM 400 CA GLN A 28 -5.108 5.112 -9.198 1.00 0.00 C ATOM 401 C GLN A 28 -5.161 4.668 -10.662 1.00 0.00 C ATOM 402 O GLN A 28 -6.118 4.017 -11.076 1.00 0.00 O ATOM 403 CB GLN A 28 -5.920 6.389 -8.978 1.00 0.00 C ATOM 404 CG GLN A 28 -5.415 7.561 -9.812 1.00 0.00 C ATOM 405 CD GLN A 28 -6.185 8.832 -9.475 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.083 9.238 -10.207 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.835 9.468 -8.360 1.00 0.00 N ATOM 0 H GLN A 28 -3.463 6.265 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.554 4.324 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.964 6.197 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.886 6.659 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.352 7.714 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.525 7.333 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.083 9.100 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.318 10.324 -8.088 1.00 0.00 H new ATOM 416 N ASN A 29 -4.136 5.017 -11.449 1.00 0.00 N ATOM 417 CA ASN A 29 -4.027 4.581 -12.834 1.00 0.00 C ATOM 418 C ASN A 29 -3.724 3.083 -12.928 1.00 0.00 C ATOM 419 O ASN A 29 -4.110 2.439 -13.901 1.00 0.00 O ATOM 420 CB ASN A 29 -2.926 5.403 -13.520 1.00 0.00 C ATOM 421 CG ASN A 29 -1.964 4.542 -14.330 1.00 0.00 C ATOM 422 OD1 ASN A 29 -2.130 4.367 -15.533 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.952 4.000 -13.657 1.00 0.00 N ATOM 0 H ASN A 29 -3.365 5.608 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.980 4.744 -13.337 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.386 6.142 -14.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.366 5.953 -12.764 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.274 3.411 -14.142 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.854 4.173 -12.657 1.00 0.00 H new ATOM 430 N PHE A 30 -3.038 2.520 -11.928 1.00 0.00 N ATOM 431 CA PHE A 30 -2.636 1.121 -11.975 1.00 0.00 C ATOM 432 C PHE A 30 -3.761 0.184 -11.530 1.00 0.00 C ATOM 433 O PHE A 30 -3.796 -0.976 -11.940 1.00 0.00 O ATOM 434 CB PHE A 30 -1.398 0.942 -11.101 1.00 0.00 C ATOM 435 CG PHE A 30 -0.962 -0.499 -10.984 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.234 -1.101 -12.021 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.291 -1.239 -9.841 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.147 -2.445 -11.920 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.928 -2.587 -9.749 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.203 -3.190 -10.785 1.00 0.00 C ATOM 0 H PHE A 30 -2.753 3.014 -11.082 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.406 0.855 -13.007 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.580 1.531 -11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.603 1.336 -10.106 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.033 -0.528 -12.897 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.826 -0.768 -9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.711 -2.908 -12.717 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.207 -3.163 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.086 -4.228 -10.709 1.00 0.00 H new ATOM 450 N LEU A 31 -4.678 0.681 -10.697 1.00 0.00 N ATOM 451 CA LEU A 31 -5.851 -0.069 -10.263 1.00 0.00 C ATOM 452 C LEU A 31 -7.060 0.453 -11.039 1.00 0.00 C ATOM 453 O LEU A 31 -8.120 0.698 -10.466 1.00 0.00 O ATOM 454 CB LEU A 31 -6.060 0.045 -8.743 1.00 0.00 C ATOM 455 CG LEU A 31 -4.965 -0.572 -7.863 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.457 -1.899 -8.416 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.808 0.400 -7.677 1.00 0.00 C ATOM 0 H LEU A 31 -4.624 1.621 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.711 -1.130 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.151 1.101 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.009 -0.427 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.417 -0.775 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.684 -2.295 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.282 -2.609 -8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.041 -1.743 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.044 -0.059 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.380 0.646 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.171 1.310 -7.199 1.00 0.00 H new ATOM 469 N SER A 32 -6.895 0.628 -12.354 1.00 0.00 N ATOM 470 CA SER A 32 -7.884 1.263 -13.216 1.00 0.00 C ATOM 471 C SER A 32 -9.244 0.560 -13.242 1.00 0.00 C ATOM 472 O SER A 32 -10.238 1.191 -13.598 1.00 0.00 O ATOM 473 CB SER A 32 -7.323 1.356 -14.635 1.00 0.00 C ATOM 474 OG SER A 32 -7.023 0.064 -15.122 1.00 0.00 O ATOM 0 H SER A 32 -6.057 0.327 -12.852 1.00 0.00 H new ATOM 0 HA SER A 32 -8.070 2.252 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.047 1.841 -15.290 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.425 1.973 -14.640 1.00 0.00 H new ATOM 0 HG SER A 32 -6.666 0.132 -16.032 1.00 0.00 H new ATOM 480 N ASP A 33 -9.318 -0.724 -12.875 1.00 0.00 N ATOM 481 CA ASP A 33 -10.597 -1.426 -12.837 1.00 0.00 C ATOM 482 C ASP A 33 -11.316 -1.170 -11.514 1.00 0.00 C ATOM 483 O ASP A 33 -12.530 -1.342 -11.418 1.00 0.00 O ATOM 484 CB ASP A 33 -10.373 -2.931 -12.980 1.00 0.00 C ATOM 485 CG ASP A 33 -9.536 -3.267 -14.211 1.00 0.00 C ATOM 486 OD1 ASP A 33 -10.063 -3.106 -15.334 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.373 -3.683 -14.011 1.00 0.00 O ATOM 0 H ASP A 33 -8.514 -1.290 -12.603 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.206 -1.055 -13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.875 -3.310 -12.088 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.336 -3.437 -13.047 1.00 0.00 H new ATOM 492 N CYS A 34 -10.556 -0.758 -10.499 1.00 0.00 N ATOM 493 CA CYS A 34 -11.040 -0.558 -9.147 1.00 0.00 C ATOM 494 C CYS A 34 -11.634 0.839 -8.977 1.00 0.00 C ATOM 495 O CYS A 34 -11.708 1.621 -9.926 1.00 0.00 O ATOM 496 CB CYS A 34 -9.860 -0.738 -8.188 1.00 0.00 C ATOM 497 SG CYS A 34 -9.128 -2.377 -8.444 1.00 0.00 S ATOM 0 H CYS A 34 -9.563 -0.551 -10.605 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.826 -1.282 -8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.114 0.038 -8.361 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.195 -0.633 -7.156 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.530 -3.183 -7.507 1.00 0.00 H new ATOM 503 N THR A 35 -12.057 1.141 -7.750 1.00 0.00 N ATOM 504 CA THR A 35 -12.586 2.439 -7.376 1.00 0.00 C ATOM 505 C THR A 35 -12.030 2.803 -6.011 1.00 0.00 C ATOM 506 O THR A 35 -12.369 2.182 -5.005 1.00 0.00 O ATOM 507 CB THR A 35 -14.112 2.387 -7.324 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.637 2.112 -8.605 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.682 3.712 -6.828 1.00 0.00 C ATOM 0 H THR A 35 -12.039 0.474 -6.979 1.00 0.00 H new ATOM 0 HA THR A 35 -12.294 3.189 -8.111 1.00 0.00 H new ATOM 0 HB THR A 35 -14.396 1.593 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.615 2.080 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.770 3.652 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.303 3.919 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.381 4.513 -7.503 1.00 0.00 H new ATOM 517 N ILE A 36 -11.170 3.818 -5.993 1.00 0.00 N ATOM 518 CA ILE A 36 -10.563 4.312 -4.770 1.00 0.00 C ATOM 519 C ILE A 36 -11.645 4.991 -3.940 1.00 0.00 C ATOM 520 O ILE A 36 -12.509 5.682 -4.478 1.00 0.00 O ATOM 521 CB ILE A 36 -9.401 5.256 -5.104 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.391 4.565 -6.030 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.654 5.655 -3.830 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.611 4.962 -7.488 1.00 0.00 C ATOM 0 H ILE A 36 -10.877 4.320 -6.831 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.142 3.494 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.825 6.134 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.378 4.830 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.482 3.484 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.833 6.325 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.339 6.162 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.258 4.762 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.879 4.455 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.616 4.674 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.495 6.041 -7.593 1.00 0.00 H new ATOM 536 N HIS A 37 -11.584 4.779 -2.625 1.00 0.00 N ATOM 537 CA HIS A 37 -12.567 5.262 -1.669 1.00 0.00 C ATOM 538 C HIS A 37 -12.949 6.735 -1.871 1.00 0.00 C ATOM 539 O HIS A 37 -14.102 7.095 -1.645 1.00 0.00 O ATOM 540 CB HIS A 37 -12.006 4.983 -0.283 1.00 0.00 C ATOM 541 CG HIS A 37 -12.995 5.223 0.822 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.788 4.274 1.426 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.272 6.421 1.415 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.522 4.894 2.366 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.246 6.210 2.400 1.00 0.00 N ATOM 0 H HIS A 37 -10.827 4.252 -2.189 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.511 4.736 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.667 3.948 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.131 5.612 -0.120 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.814 3.279 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.818 7.369 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.237 4.402 3.008 1.00 0.00 H new ATOM 553 N ASP A 38 -12.003 7.583 -2.291 1.00 0.00 N ATOM 554 CA ASP A 38 -12.278 8.970 -2.664 1.00 0.00 C ATOM 555 C ASP A 38 -11.264 9.475 -3.696 1.00 0.00 C ATOM 556 O ASP A 38 -11.229 10.669 -3.993 1.00 0.00 O ATOM 557 CB ASP A 38 -12.242 9.896 -1.444 1.00 0.00 C ATOM 558 CG ASP A 38 -13.478 9.785 -0.555 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.596 9.934 -1.096 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.296 9.551 0.661 1.00 0.00 O ATOM 0 H ASP A 38 -11.021 7.322 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.278 8.987 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.357 9.667 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.141 10.927 -1.784 1.00 0.00 H new ATOM 565 N GLY A 39 -10.430 8.592 -4.254 1.00 0.00 N ATOM 566 CA GLY A 39 -9.400 9.007 -5.193 1.00 0.00 C ATOM 567 C GLY A 39 -8.241 9.650 -4.446 1.00 0.00 C ATOM 568 O GLY A 39 -7.608 9.021 -3.600 1.00 0.00 O ATOM 0 H GLY A 39 -10.453 7.589 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.045 8.146 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.816 9.713 -5.912 1.00 0.00 H new ATOM 572 N ALA A 40 -7.968 10.916 -4.770 1.00 0.00 N ATOM 573 CA ALA A 40 -6.913 11.706 -4.153 1.00 0.00 C ATOM 574 C ALA A 40 -7.154 11.947 -2.658 1.00 0.00 C ATOM 575 O ALA A 40 -6.368 12.640 -2.014 1.00 0.00 O ATOM 576 CB ALA A 40 -6.799 13.030 -4.903 1.00 0.00 C ATOM 0 H ALA A 40 -8.488 11.426 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.979 11.148 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.012 13.636 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.556 12.837 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.747 13.565 -4.844 1.00 0.00 H new ATOM 582 N ALA A 41 -8.233 11.383 -2.105 1.00 0.00 N ATOM 583 CA ALA A 41 -8.561 11.482 -0.691 1.00 0.00 C ATOM 584 C ALA A 41 -8.744 10.092 -0.075 1.00 0.00 C ATOM 585 O ALA A 41 -9.305 9.958 1.012 1.00 0.00 O ATOM 586 CB ALA A 41 -9.795 12.365 -0.512 1.00 0.00 C ATOM 0 H ALA A 41 -8.909 10.838 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.734 11.951 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.039 12.438 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.591 13.360 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.637 11.927 -1.049 1.00 0.00 H new ATOM 592 N GLY A 42 -8.265 9.060 -0.777 1.00 0.00 N ATOM 593 CA GLY A 42 -8.285 7.682 -0.306 1.00 0.00 C ATOM 594 C GLY A 42 -6.919 7.022 -0.493 1.00 0.00 C ATOM 595 O GLY A 42 -6.738 5.860 -0.134 1.00 0.00 O ATOM 0 H GLY A 42 -7.847 9.166 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.564 7.657 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.043 7.118 -0.850 1.00 0.00 H new ATOM 599 N VAL A 43 -5.954 7.761 -1.054 1.00 0.00 N ATOM 600 CA VAL A 43 -4.584 7.292 -1.197 1.00 0.00 C ATOM 601 C VAL A 43 -3.888 7.322 0.166 1.00 0.00 C ATOM 602 O VAL A 43 -4.326 8.035 1.068 1.00 0.00 O ATOM 603 CB VAL A 43 -3.835 8.185 -2.200 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.337 9.466 -1.526 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.658 7.409 -2.789 1.00 0.00 C ATOM 0 H VAL A 43 -6.108 8.701 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.584 6.268 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.521 8.469 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.811 10.080 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.186 10.022 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.659 9.209 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.126 8.040 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.980 7.113 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.027 6.519 -3.299 1.00 0.00 H new ATOM 615 N HIS A 44 -2.805 6.556 0.323 1.00 0.00 N ATOM 616 CA HIS A 44 -1.979 6.585 1.523 1.00 0.00 C ATOM 617 C HIS A 44 -0.547 6.178 1.184 1.00 0.00 C ATOM 618 O HIS A 44 -0.303 5.546 0.158 1.00 0.00 O ATOM 619 CB HIS A 44 -2.533 5.621 2.569 1.00 0.00 C ATOM 620 CG HIS A 44 -3.736 6.148 3.303 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.748 7.166 4.230 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.022 5.702 3.174 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.016 7.320 4.650 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.835 6.450 4.034 1.00 0.00 N ATOM 0 H HIS A 44 -2.479 5.897 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.988 7.600 1.921 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.799 4.683 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.749 5.393 3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.354 4.909 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.334 8.046 5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.842 6.354 4.166 1.00 0.00 H new ATOM 632 N PHE A 45 0.396 6.544 2.057 1.00 0.00 N ATOM 633 CA PHE A 45 1.810 6.231 1.911 1.00 0.00 C ATOM 634 C PHE A 45 2.430 6.062 3.298 1.00 0.00 C ATOM 635 O PHE A 45 1.772 6.329 4.305 1.00 0.00 O ATOM 636 CB PHE A 45 2.498 7.358 1.139 1.00 0.00 C ATOM 637 CG PHE A 45 1.983 7.529 -0.275 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.485 6.724 -1.308 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.002 8.491 -0.556 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.994 6.867 -2.614 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.512 8.634 -1.861 1.00 0.00 C ATOM 642 CZ PHE A 45 1.003 7.819 -2.889 1.00 0.00 C ATOM 0 H PHE A 45 0.187 7.077 2.901 1.00 0.00 H new ATOM 0 HA PHE A 45 1.938 5.302 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.362 8.294 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.570 7.162 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.251 5.993 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.624 9.122 0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.379 6.244 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.245 9.374 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.618 7.924 -3.893 1.00 0.00 H new ATOM 652 N ILE A 46 3.689 5.619 3.362 1.00 0.00 N ATOM 653 CA ILE A 46 4.352 5.331 4.630 1.00 0.00 C ATOM 654 C ILE A 46 5.773 5.889 4.613 1.00 0.00 C ATOM 655 O ILE A 46 6.669 5.309 4.004 1.00 0.00 O ATOM 656 CB ILE A 46 4.363 3.824 4.885 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.951 3.257 4.710 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.877 3.545 6.302 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.986 1.739 4.794 1.00 0.00 C ATOM 0 H ILE A 46 4.271 5.452 2.541 1.00 0.00 H new ATOM 0 HA ILE A 46 3.803 5.811 5.440 1.00 0.00 H new ATOM 0 HB ILE A 46 5.025 3.340 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.292 3.657 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.542 3.567 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.884 2.470 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.889 3.937 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.224 4.030 7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.978 1.344 4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.630 1.346 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.375 1.437 5.766 1.00 0.00 H new ATOM 826 N ALA A 57 2.881 1.519 0.858 1.00 0.00 N ATOM 827 CA ALA A 57 1.709 2.371 0.744 1.00 0.00 C ATOM 828 C ALA A 57 0.421 1.546 0.802 1.00 0.00 C ATOM 829 O ALA A 57 0.461 0.318 0.850 1.00 0.00 O ATOM 830 CB ALA A 57 1.807 3.124 -0.582 1.00 0.00 C ATOM 0 HA ALA A 57 1.677 3.073 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.939 3.773 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.715 3.727 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.837 2.410 -1.405 1.00 0.00 H new ATOM 836 N PHE A 58 -0.725 2.235 0.797 1.00 0.00 N ATOM 837 CA PHE A 58 -2.040 1.606 0.776 1.00 0.00 C ATOM 838 C PHE A 58 -2.992 2.386 -0.128 1.00 0.00 C ATOM 839 O PHE A 58 -2.693 3.505 -0.545 1.00 0.00 O ATOM 840 CB PHE A 58 -2.654 1.577 2.178 1.00 0.00 C ATOM 841 CG PHE A 58 -1.872 0.868 3.254 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.003 -0.516 3.439 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.022 1.608 4.083 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.307 -1.152 4.479 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.340 0.976 5.129 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.482 -0.404 5.331 1.00 0.00 C ATOM 0 H PHE A 58 -0.761 3.254 0.808 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.905 0.590 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.815 2.606 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.636 1.108 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.638 -1.092 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.892 2.667 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.407 -2.218 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.298 1.553 5.782 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.043 -0.890 6.141 1.00 0.00 H new ATOM 856 N VAL A 59 -4.144 1.780 -0.424 1.00 0.00 N ATOM 857 CA VAL A 59 -5.206 2.392 -1.210 1.00 0.00 C ATOM 858 C VAL A 59 -6.546 1.889 -0.685 1.00 0.00 C ATOM 859 O VAL A 59 -6.820 0.689 -0.733 1.00 0.00 O ATOM 860 CB VAL A 59 -5.059 2.014 -2.691 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.149 2.700 -3.515 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.703 2.435 -3.255 1.00 0.00 C ATOM 0 H VAL A 59 -4.364 0.833 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.147 3.477 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.147 0.929 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.038 2.427 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.129 2.382 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.058 3.781 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.641 2.149 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.592 3.516 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.908 1.941 -2.697 1.00 0.00 H new ATOM 872 N GLU A 60 -7.387 2.796 -0.182 1.00 0.00 N ATOM 873 CA GLU A 60 -8.727 2.433 0.256 1.00 0.00 C ATOM 874 C GLU A 60 -9.628 2.293 -0.968 1.00 0.00 C ATOM 875 O GLU A 60 -9.410 2.980 -1.964 1.00 0.00 O ATOM 876 CB GLU A 60 -9.291 3.521 1.173 1.00 0.00 C ATOM 877 CG GLU A 60 -8.460 3.707 2.440 1.00 0.00 C ATOM 878 CD GLU A 60 -9.107 4.757 3.343 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.098 5.944 2.953 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.610 4.362 4.420 1.00 0.00 O ATOM 0 H GLU A 60 -7.160 3.784 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.685 1.491 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.333 4.464 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.314 3.265 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.377 2.759 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.448 4.015 2.178 1.00 0.00 H new ATOM 887 N LEU A 61 -10.638 1.418 -0.914 1.00 0.00 N ATOM 888 CA LEU A 61 -11.539 1.242 -2.046 1.00 0.00 C ATOM 889 C LEU A 61 -12.999 1.419 -1.644 1.00 0.00 C ATOM 890 O LEU A 61 -13.303 1.804 -0.516 1.00 0.00 O ATOM 891 CB LEU A 61 -11.338 -0.141 -2.663 1.00 0.00 C ATOM 892 CG LEU A 61 -9.861 -0.494 -2.869 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.748 -1.994 -3.095 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.299 0.233 -4.088 1.00 0.00 C ATOM 0 H LEU A 61 -10.846 0.830 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.300 2.012 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.799 -0.891 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.854 -0.184 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.296 -0.191 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.702 -2.262 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.138 -2.523 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.323 -2.273 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.249 -0.031 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.859 -0.060 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.387 1.310 -3.942 1.00 0.00 H new ATOM 906 N GLY A 62 -13.902 1.132 -2.586 1.00 0.00 N ATOM 907 CA GLY A 62 -15.324 1.350 -2.402 1.00 0.00 C ATOM 908 C GLY A 62 -16.104 0.085 -2.040 1.00 0.00 C ATOM 909 O GLY A 62 -17.152 0.189 -1.405 1.00 0.00 O ATOM 0 H GLY A 62 -13.658 0.742 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.469 2.092 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.738 1.771 -3.318 1.00 0.00 H new ATOM 913 N SER A 63 -15.619 -1.101 -2.425 1.00 0.00 N ATOM 914 CA SER A 63 -16.323 -2.340 -2.117 1.00 0.00 C ATOM 915 C SER A 63 -15.401 -3.551 -2.194 1.00 0.00 C ATOM 916 O SER A 63 -14.242 -3.444 -2.592 1.00 0.00 O ATOM 917 CB SER A 63 -17.461 -2.545 -3.118 1.00 0.00 C ATOM 918 OG SER A 63 -18.405 -3.456 -2.593 1.00 0.00 O ATOM 0 H SER A 63 -14.750 -1.224 -2.945 1.00 0.00 H new ATOM 0 HA SER A 63 -16.705 -2.252 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.944 -1.592 -3.334 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.064 -2.922 -4.061 1.00 0.00 H new ATOM 0 HG SER A 63 -19.132 -3.582 -3.238 1.00 0.00 H new ATOM 924 N GLU A 64 -15.935 -4.712 -1.807 1.00 0.00 N ATOM 925 CA GLU A 64 -15.243 -5.987 -1.897 1.00 0.00 C ATOM 926 C GLU A 64 -14.870 -6.293 -3.345 1.00 0.00 C ATOM 927 O GLU A 64 -13.867 -6.952 -3.609 1.00 0.00 O ATOM 928 CB GLU A 64 -16.188 -7.068 -1.379 1.00 0.00 C ATOM 929 CG GLU A 64 -15.565 -8.456 -1.525 1.00 0.00 C ATOM 930 CD GLU A 64 -16.472 -9.532 -0.933 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.419 -9.712 0.304 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.208 -10.164 -1.722 1.00 0.00 O ATOM 0 H GLU A 64 -16.875 -4.787 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.327 -5.953 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.423 -6.879 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.128 -7.028 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.385 -8.668 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.596 -8.477 -1.025 1.00 0.00 H new ATOM 939 N ASP A 65 -15.674 -5.820 -4.297 1.00 0.00 N ATOM 940 CA ASP A 65 -15.402 -6.094 -5.695 1.00 0.00 C ATOM 941 C ASP A 65 -14.143 -5.357 -6.148 1.00 0.00 C ATOM 942 O ASP A 65 -13.445 -5.820 -7.046 1.00 0.00 O ATOM 943 CB ASP A 65 -16.611 -5.663 -6.525 1.00 0.00 C ATOM 944 CG ASP A 65 -16.467 -6.071 -7.990 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.294 -7.284 -8.237 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.533 -5.164 -8.848 1.00 0.00 O ATOM 0 H ASP A 65 -16.505 -5.254 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.229 -7.161 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.515 -6.110 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.731 -4.582 -6.459 1.00 0.00 H new ATOM 951 N ASP A 66 -13.844 -4.209 -5.531 1.00 0.00 N ATOM 952 CA ASP A 66 -12.673 -3.429 -5.887 1.00 0.00 C ATOM 953 C ASP A 66 -11.413 -4.054 -5.301 1.00 0.00 C ATOM 954 O ASP A 66 -10.368 -4.033 -5.950 1.00 0.00 O ATOM 955 CB ASP A 66 -12.853 -2.006 -5.365 1.00 0.00 C ATOM 956 CG ASP A 66 -14.027 -1.310 -6.047 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.968 -1.165 -7.288 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.972 -0.930 -5.320 1.00 0.00 O ATOM 0 H ASP A 66 -14.405 -3.805 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.564 -3.412 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.017 -2.030 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.940 -1.435 -5.536 1.00 0.00 H new ATOM 963 N VAL A 67 -11.486 -4.612 -4.085 1.00 0.00 N ATOM 964 CA VAL A 67 -10.315 -5.236 -3.487 1.00 0.00 C ATOM 965 C VAL A 67 -9.977 -6.509 -4.250 1.00 0.00 C ATOM 966 O VAL A 67 -8.803 -6.798 -4.456 1.00 0.00 O ATOM 967 CB VAL A 67 -10.498 -5.478 -1.979 1.00 0.00 C ATOM 968 CG1 VAL A 67 -11.897 -5.929 -1.587 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.509 -6.513 -1.447 1.00 0.00 C ATOM 0 H VAL A 67 -12.329 -4.641 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.468 -4.554 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.315 -4.501 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.942 -6.078 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.620 -5.167 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.132 -6.866 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.671 -6.655 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.659 -7.460 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.490 -6.164 -1.616 1.00 0.00 H new ATOM 979 N LYS A 68 -10.981 -7.275 -4.676 1.00 0.00 N ATOM 980 CA LYS A 68 -10.729 -8.452 -5.490 1.00 0.00 C ATOM 981 C LYS A 68 -10.034 -8.058 -6.788 1.00 0.00 C ATOM 982 O LYS A 68 -9.048 -8.685 -7.174 1.00 0.00 O ATOM 983 CB LYS A 68 -12.060 -9.139 -5.787 1.00 0.00 C ATOM 984 CG LYS A 68 -12.579 -9.852 -4.542 1.00 0.00 C ATOM 985 CD LYS A 68 -13.961 -10.435 -4.835 1.00 0.00 C ATOM 986 CE LYS A 68 -14.480 -11.187 -3.612 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.829 -11.733 -3.853 1.00 0.00 N ATOM 0 H LYS A 68 -11.965 -7.100 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.076 -9.138 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.790 -8.402 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.934 -9.856 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.891 -10.645 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.635 -9.155 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.653 -9.636 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.907 -11.108 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.796 -11.998 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.505 -10.516 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.504 -11.294 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.117 -11.528 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.819 -12.762 -3.703 1.00 0.00 H new ATOM 1001 N MET A 69 -10.540 -7.024 -7.464 1.00 0.00 N ATOM 1002 CA MET A 69 -9.986 -6.583 -8.735 1.00 0.00 C ATOM 1003 C MET A 69 -8.580 -6.014 -8.580 1.00 0.00 C ATOM 1004 O MET A 69 -7.788 -6.095 -9.516 1.00 0.00 O ATOM 1005 CB MET A 69 -10.907 -5.540 -9.365 1.00 0.00 C ATOM 1006 CG MET A 69 -12.127 -6.223 -9.982 1.00 0.00 C ATOM 1007 SD MET A 69 -13.148 -5.147 -11.022 1.00 0.00 S ATOM 1008 CE MET A 69 -13.462 -3.803 -9.851 1.00 0.00 C ATOM 0 H MET A 69 -11.339 -6.476 -7.145 1.00 0.00 H new ATOM 0 HA MET A 69 -9.915 -7.454 -9.386 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.226 -4.821 -8.610 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.367 -4.981 -10.130 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.789 -7.070 -10.579 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.746 -6.625 -9.180 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.208 -3.125 -10.267 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.831 -4.217 -8.913 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.537 -3.256 -9.668 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.253 -5.441 -7.419 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.922 -4.903 -7.181 1.00 0.00 C ATOM 1020 C ALA A 70 -5.896 -6.027 -7.031 1.00 0.00 C ATOM 1021 O ALA A 70 -4.726 -5.849 -7.361 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.958 -4.043 -5.920 1.00 0.00 C ATOM 0 H ALA A 70 -8.895 -5.340 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.622 -4.295 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.966 -3.634 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.667 -3.227 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.267 -4.654 -5.072 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.335 -7.187 -6.535 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.475 -8.343 -6.333 1.00 0.00 C ATOM 1030 C LEU A 71 -5.255 -9.117 -7.633 1.00 0.00 C ATOM 1031 O LEU A 71 -4.358 -9.956 -7.705 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.111 -9.233 -5.264 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.237 -8.468 -3.941 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.097 -9.257 -2.961 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.869 -8.199 -3.330 1.00 0.00 C ATOM 0 H LEU A 71 -7.305 -7.346 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.492 -8.008 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.095 -9.565 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.506 -10.128 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.712 -7.509 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.181 -8.706 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.090 -9.404 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.636 -10.226 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.990 -7.655 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.364 -9.146 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.273 -7.603 -4.021 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.063 -8.849 -8.663 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.886 -9.475 -9.975 1.00 0.00 C ATOM 1049 C LYS A 72 -4.623 -9.007 -10.701 1.00 0.00 C ATOM 1050 O LYS A 72 -4.280 -9.571 -11.737 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.088 -9.190 -10.875 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.410 -9.683 -10.283 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.360 -11.166 -9.907 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.676 -11.593 -9.261 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.800 -11.536 -10.217 1.00 0.00 N ATOM 0 H LYS A 72 -6.848 -8.200 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.791 -10.543 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.154 -8.117 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.930 -9.665 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.652 -9.094 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.212 -9.520 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.171 -11.768 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.534 -11.346 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.579 -12.607 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.890 -10.947 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.626 -12.019 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.041 -10.543 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.526 -12.005 -11.104 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.930 -7.990 -10.177 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.708 -7.471 -10.781 1.00 0.00 C ATOM 1071 C LYS A 73 -1.638 -7.263 -9.717 1.00 0.00 C ATOM 1072 O LYS A 73 -0.765 -6.409 -9.849 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.986 -6.193 -11.579 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.450 -5.036 -10.696 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.967 -5.002 -10.529 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.639 -4.635 -11.853 1.00 0.00 C ATOM 1077 NZ LYS A 73 -7.096 -4.496 -11.694 1.00 0.00 N ATOM 0 H LYS A 73 -4.205 -7.507 -9.322 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.329 -8.207 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.082 -5.898 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.747 -6.398 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.981 -5.120 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.114 -4.094 -11.130 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.324 -5.974 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.239 -4.277 -9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.221 -3.701 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.424 -5.402 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.548 -4.484 -12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.463 -5.298 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.308 -3.608 -11.196 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.731 -8.069 -8.662 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.872 -8.043 -7.488 1.00 0.00 C ATOM 1093 C ASP A 74 0.639 -7.972 -7.735 1.00 0.00 C ATOM 1094 O ASP A 74 1.375 -7.752 -6.775 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.200 -9.257 -6.624 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.677 -10.553 -7.245 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.257 -10.982 -8.266 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.300 -11.103 -6.690 1.00 0.00 O ATOM 0 H ASP A 74 -2.446 -8.794 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.094 -7.098 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.764 -9.127 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.280 -9.327 -6.491 1.00 0.00 H new ATOM 1103 N ARG A 75 1.122 -8.148 -8.972 1.00 0.00 N ATOM 1104 CA ARG A 75 2.542 -8.007 -9.290 1.00 0.00 C ATOM 1105 C ARG A 75 2.787 -7.657 -10.761 1.00 0.00 C ATOM 1106 O ARG A 75 3.835 -7.993 -11.311 1.00 0.00 O ATOM 1107 CB ARG A 75 3.335 -9.238 -8.847 1.00 0.00 C ATOM 1108 CG ARG A 75 2.728 -10.562 -9.299 1.00 0.00 C ATOM 1109 CD ARG A 75 3.624 -11.658 -8.743 1.00 0.00 C ATOM 1110 NE ARG A 75 3.116 -12.998 -9.065 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.512 -13.809 -8.189 1.00 0.00 C ATOM 1112 NH1 ARG A 75 2.300 -13.425 -6.932 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.114 -15.020 -8.570 1.00 0.00 N ATOM 0 H ARG A 75 0.540 -8.391 -9.774 1.00 0.00 H new ATOM 0 HA ARG A 75 2.912 -7.157 -8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.350 -9.163 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.410 -9.237 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.709 -10.668 -8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.679 -10.615 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.630 -11.544 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.701 -11.550 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 75 3.232 -13.333 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.600 -12.500 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.838 -14.056 -6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.269 -15.330 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.653 -15.639 -7.903 1.00 0.00 H new ATOM 1127 N GLU A 76 1.829 -6.983 -11.405 1.00 0.00 N ATOM 1128 CA GLU A 76 1.981 -6.548 -12.791 1.00 0.00 C ATOM 1129 C GLU A 76 2.943 -5.364 -12.907 1.00 0.00 C ATOM 1130 O GLU A 76 3.752 -5.099 -12.017 1.00 0.00 O ATOM 1131 CB GLU A 76 0.629 -6.167 -13.400 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.356 -7.321 -13.304 1.00 0.00 C ATOM 1133 CD GLU A 76 0.228 -8.634 -13.824 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.557 -8.685 -15.029 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.340 -9.577 -13.009 1.00 0.00 O ATOM 0 H GLU A 76 0.936 -6.727 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 76 2.397 -7.390 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.226 -5.296 -12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.763 -5.884 -14.444 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.661 -7.449 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.254 -7.076 -13.872 1.00 0.00 H new ATOM 1142 N SER A 77 2.841 -4.650 -14.029 1.00 0.00 N ATOM 1143 CA SER A 77 3.694 -3.517 -14.345 1.00 0.00 C ATOM 1144 C SER A 77 2.898 -2.447 -15.086 1.00 0.00 C ATOM 1145 O SER A 77 1.962 -2.761 -15.819 1.00 0.00 O ATOM 1146 CB SER A 77 4.853 -4.005 -15.215 1.00 0.00 C ATOM 1147 OG SER A 77 5.608 -2.914 -15.702 1.00 0.00 O ATOM 0 H SER A 77 2.150 -4.851 -14.752 1.00 0.00 H new ATOM 0 HA SER A 77 4.080 -3.080 -13.424 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.495 -4.668 -14.635 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.466 -4.588 -16.051 1.00 0.00 H new ATOM 0 HG SER A 77 5.905 -2.360 -14.950 1.00 0.00 H new ATOM 1153 N MET A 78 3.273 -1.178 -14.894 1.00 0.00 N ATOM 1154 CA MET A 78 2.673 -0.069 -15.624 1.00 0.00 C ATOM 1155 C MET A 78 3.126 -0.090 -17.083 1.00 0.00 C ATOM 1156 O MET A 78 2.558 0.610 -17.920 1.00 0.00 O ATOM 1157 CB MET A 78 3.087 1.261 -14.987 1.00 0.00 C ATOM 1158 CG MET A 78 2.468 1.432 -13.600 1.00 0.00 C ATOM 1159 SD MET A 78 2.972 2.966 -12.777 1.00 0.00 S ATOM 1160 CE MET A 78 1.928 2.867 -11.302 1.00 0.00 C ATOM 0 H MET A 78 3.996 -0.897 -14.232 1.00 0.00 H new ATOM 0 HA MET A 78 1.589 -0.172 -15.582 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.173 1.307 -14.910 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.778 2.086 -15.629 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.382 1.415 -13.689 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.750 0.583 -12.977 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.307 3.550 -10.542 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.906 3.142 -11.561 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.942 1.849 -10.914 1.00 0.00 H new ATOM 1170 N GLY A 79 4.150 -0.894 -17.382 1.00 0.00 N ATOM 1171 CA GLY A 79 4.706 -1.019 -18.719 1.00 0.00 C ATOM 1172 C GLY A 79 6.232 -0.985 -18.689 1.00 0.00 C ATOM 1173 O GLY A 79 6.871 -1.330 -19.680 1.00 0.00 O ATOM 0 H GLY A 79 4.617 -1.480 -16.690 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.369 -1.953 -19.170 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.334 -0.210 -19.347 1.00 0.00 H new ATOM 1177 N HIS A 80 6.821 -0.572 -17.558 1.00 0.00 N ATOM 1178 CA HIS A 80 8.266 -0.460 -17.432 1.00 0.00 C ATOM 1179 C HIS A 80 8.747 -0.588 -15.980 1.00 0.00 C ATOM 1180 O HIS A 80 9.940 -0.434 -15.723 1.00 0.00 O ATOM 1181 CB HIS A 80 8.697 0.887 -18.022 1.00 0.00 C ATOM 1182 CG HIS A 80 10.188 1.021 -18.189 1.00 0.00 C ATOM 1183 ND1 HIS A 80 10.971 2.066 -17.754 1.00 0.00 N ATOM 1184 CD2 HIS A 80 11.018 0.124 -18.805 1.00 0.00 C ATOM 1185 CE1 HIS A 80 12.241 1.799 -18.104 1.00 0.00 C ATOM 1186 NE2 HIS A 80 12.324 0.623 -18.750 1.00 0.00 N ATOM 0 H HIS A 80 6.308 -0.310 -16.716 1.00 0.00 H new ATOM 0 HA HIS A 80 8.724 -1.286 -17.977 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.217 1.020 -18.992 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.338 1.689 -17.377 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.716 -0.810 -19.256 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.082 2.443 -17.894 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.166 0.185 -19.123 1.00 0.00 H new ATOM 1194 N ARG A 81 7.854 -0.867 -15.021 1.00 0.00 N ATOM 1195 CA ARG A 81 8.261 -0.981 -13.623 1.00 0.00 C ATOM 1196 C ARG A 81 7.376 -1.954 -12.849 1.00 0.00 C ATOM 1197 O ARG A 81 6.163 -1.995 -13.036 1.00 0.00 O ATOM 1198 CB ARG A 81 8.225 0.406 -12.970 1.00 0.00 C ATOM 1199 CG ARG A 81 8.733 0.372 -11.524 1.00 0.00 C ATOM 1200 CD ARG A 81 10.207 -0.032 -11.464 1.00 0.00 C ATOM 1201 NE ARG A 81 10.632 -0.296 -10.086 1.00 0.00 N ATOM 1202 CZ ARG A 81 11.736 0.191 -9.514 1.00 0.00 C ATOM 1203 NH1 ARG A 81 12.555 1.010 -10.174 1.00 0.00 N ATOM 1204 NH2 ARG A 81 12.026 -0.148 -8.263 1.00 0.00 N ATOM 0 H ARG A 81 6.859 -1.015 -15.189 1.00 0.00 H new ATOM 0 HA ARG A 81 9.276 -1.378 -13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.834 1.097 -13.552 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.205 0.789 -12.987 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.603 1.353 -11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.137 -0.331 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.367 -0.922 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.821 0.761 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 81 10.037 -0.900 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.344 1.277 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.393 1.370 -9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.408 -0.775 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.867 0.219 -7.817 1.00 0.00 H new ATOM 1218 N TYR A 82 8.015 -2.733 -11.974 1.00 0.00 N ATOM 1219 CA TYR A 82 7.406 -3.742 -11.121 1.00 0.00 C ATOM 1220 C TYR A 82 6.561 -3.077 -10.038 1.00 0.00 C ATOM 1221 O TYR A 82 7.067 -2.344 -9.186 1.00 0.00 O ATOM 1222 CB TYR A 82 8.577 -4.554 -10.558 1.00 0.00 C ATOM 1223 CG TYR A 82 8.343 -5.703 -9.595 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.085 -6.292 -9.359 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.476 -6.185 -8.923 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.977 -7.359 -8.446 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.375 -7.238 -8.009 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.121 -7.830 -7.767 1.00 0.00 C ATOM 1229 OH TYR A 82 8.018 -8.856 -6.876 1.00 0.00 O ATOM 0 H TYR A 82 9.024 -2.670 -11.838 1.00 0.00 H new ATOM 0 HA TYR A 82 6.719 -4.397 -11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.123 -4.959 -11.410 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.242 -3.850 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.209 -5.928 -9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.440 -5.736 -9.114 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.016 -7.818 -8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.253 -7.595 -7.492 1.00 0.00 H new ATOM 0 HH TYR A 82 7.163 -8.792 -6.401 1.00 0.00 H new ATOM 1239 N ILE A 83 5.254 -3.349 -10.086 1.00 0.00 N ATOM 1240 CA ILE A 83 4.300 -2.847 -9.114 1.00 0.00 C ATOM 1241 C ILE A 83 3.781 -4.042 -8.330 1.00 0.00 C ATOM 1242 O ILE A 83 3.885 -5.171 -8.801 1.00 0.00 O ATOM 1243 CB ILE A 83 3.115 -2.157 -9.812 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.533 -1.276 -10.996 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.312 -1.334 -8.795 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.444 -0.113 -10.611 1.00 0.00 C ATOM 0 H ILE A 83 4.832 -3.930 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 83 4.785 -2.118 -8.465 1.00 0.00 H new ATOM 0 HB ILE A 83 2.492 -2.951 -10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.043 -1.895 -11.734 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.638 -0.880 -11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.475 -0.849 -9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.933 -1.992 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.957 -0.576 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.695 0.463 -11.502 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.931 0.530 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.357 -0.500 -10.160 1.00 0.00 H new ATOM 1258 N GLU A 84 3.223 -3.813 -7.143 1.00 0.00 N ATOM 1259 CA GLU A 84 2.632 -4.889 -6.369 1.00 0.00 C ATOM 1260 C GLU A 84 1.426 -4.409 -5.570 1.00 0.00 C ATOM 1261 O GLU A 84 1.288 -3.224 -5.276 1.00 0.00 O ATOM 1262 CB GLU A 84 3.684 -5.474 -5.427 1.00 0.00 C ATOM 1263 CG GLU A 84 4.439 -6.613 -6.107 1.00 0.00 C ATOM 1264 CD GLU A 84 5.261 -7.401 -5.093 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.884 -6.754 -4.225 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.255 -8.646 -5.199 1.00 0.00 O ATOM 0 H GLU A 84 3.170 -2.895 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 84 2.285 -5.657 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.384 -4.695 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.204 -5.839 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.732 -7.278 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.095 -6.210 -6.879 1.00 0.00 H new ATOM 1273 N VAL A 85 0.555 -5.360 -5.226 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.655 -5.121 -4.453 1.00 0.00 C ATOM 1275 C VAL A 85 -0.847 -6.311 -3.527 1.00 0.00 C ATOM 1276 O VAL A 85 -0.472 -7.422 -3.882 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.885 -5.029 -5.367 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.038 -4.337 -4.641 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.593 -4.262 -6.650 1.00 0.00 C ATOM 0 H VAL A 85 0.679 -6.339 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.553 -4.183 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.157 -6.052 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.902 -4.280 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.301 -4.906 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.735 -3.331 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.493 -4.224 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.278 -3.248 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.799 -4.765 -7.202 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.423 -6.095 -2.347 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.652 -7.173 -1.392 1.00 0.00 C ATOM 1291 C PHE A 86 -2.913 -6.841 -0.604 1.00 0.00 C ATOM 1292 O PHE A 86 -3.254 -5.671 -0.447 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.407 -7.315 -0.506 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.317 -8.549 0.373 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.036 -8.596 1.572 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.491 -9.642 0.011 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.950 -9.715 2.411 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.584 -10.757 0.850 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.138 -10.799 2.050 1.00 0.00 C ATOM 0 H PHE A 86 -1.740 -5.179 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.808 -8.135 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.471 -7.296 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.349 -6.437 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.663 -7.763 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.041 -9.620 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.509 -9.742 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.215 -11.589 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.069 -11.663 2.694 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.617 -7.856 -0.103 1.00 0.00 N ATOM 1310 CA LYS A 87 -4.895 -7.652 0.553 1.00 0.00 C ATOM 1311 C LYS A 87 -4.715 -6.969 1.906 1.00 0.00 C ATOM 1312 O LYS A 87 -3.703 -7.150 2.574 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.577 -9.013 0.685 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.028 -8.846 1.116 1.00 0.00 C ATOM 1315 CD LYS A 87 -7.706 -10.210 1.229 1.00 0.00 C ATOM 1316 CE LYS A 87 -7.877 -10.855 -0.146 1.00 0.00 C ATOM 1317 NZ LYS A 87 -8.561 -12.158 -0.041 1.00 0.00 N ATOM 0 H LYS A 87 -3.316 -8.830 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.524 -6.988 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.533 -9.541 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.044 -9.624 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.073 -8.329 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.560 -8.226 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.112 -10.863 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.680 -10.097 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.450 -10.191 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.901 -10.990 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.664 -12.573 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.000 -12.797 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.502 -12.023 0.382 1.00 0.00 H new ATOM 1331 N SER A 88 -5.708 -6.178 2.313 1.00 0.00 N ATOM 1332 CA SER A 88 -5.666 -5.454 3.577 1.00 0.00 C ATOM 1333 C SER A 88 -7.061 -5.390 4.201 1.00 0.00 C ATOM 1334 O SER A 88 -8.030 -5.888 3.631 1.00 0.00 O ATOM 1335 CB SER A 88 -5.091 -4.055 3.349 1.00 0.00 C ATOM 1336 OG SER A 88 -4.897 -3.398 4.584 1.00 0.00 O ATOM 0 H SER A 88 -6.561 -6.023 1.775 1.00 0.00 H new ATOM 0 HA SER A 88 -5.017 -5.982 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.144 -4.126 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.768 -3.474 2.722 1.00 0.00 H new ATOM 0 HG SER A 88 -4.527 -2.505 4.425 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.158 -4.772 5.381 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.388 -4.722 6.156 1.00 0.00 C ATOM 1344 C HIS A 89 -8.494 -3.424 6.960 1.00 0.00 C ATOM 1345 O HIS A 89 -9.336 -3.314 7.848 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.439 -5.952 7.065 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.199 -6.122 7.898 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -7.010 -5.683 9.187 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.044 -6.746 7.510 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.761 -6.023 9.555 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.131 -6.681 8.567 1.00 0.00 N ATOM 0 H HIS A 89 -6.376 -4.290 5.824 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.243 -4.733 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.304 -5.874 7.724 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.583 -6.843 6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.868 -7.210 6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.323 -5.797 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.182 -7.056 8.585 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.635 -2.447 6.642 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.659 -1.088 7.176 1.00 0.00 C ATOM 1361 C ARG A 90 -7.173 -0.976 8.622 1.00 0.00 C ATOM 1362 O ARG A 90 -6.698 0.087 9.016 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.067 -0.503 7.012 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.035 1.024 7.051 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.439 1.576 6.808 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.414 3.038 6.700 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.664 3.885 7.701 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.966 3.443 8.920 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.614 5.194 7.475 1.00 0.00 N ATOM 0 H ARG A 90 -6.875 -2.593 5.978 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.943 -0.505 6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.495 -0.837 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.714 -0.877 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.662 1.365 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.349 1.402 6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.850 1.147 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.097 1.279 7.624 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.188 3.439 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.010 2.440 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.154 4.107 9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.386 5.542 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.803 5.850 8.233 1.00 0.00 H new ATOM 1383 N THR A 91 -7.275 -2.040 9.422 1.00 0.00 N ATOM 1384 CA THR A 91 -6.763 -2.006 10.788 1.00 0.00 C ATOM 1385 C THR A 91 -5.238 -1.982 10.763 1.00 0.00 C ATOM 1386 O THR A 91 -4.613 -1.290 11.564 1.00 0.00 O ATOM 1387 CB THR A 91 -7.252 -3.231 11.560 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.654 -3.340 11.461 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.857 -3.133 13.030 1.00 0.00 C ATOM 0 H THR A 91 -7.703 -2.925 9.149 1.00 0.00 H new ATOM 0 HA THR A 91 -7.128 -1.107 11.285 1.00 0.00 H new ATOM 0 HB THR A 91 -6.786 -4.115 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.957 -4.129 11.958 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.214 -4.015 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.772 -3.075 13.112 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.302 -2.240 13.468 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.638 -2.739 9.840 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.199 -2.720 9.632 1.00 0.00 C ATOM 1399 C GLU A 92 -2.790 -1.373 9.061 1.00 0.00 C ATOM 1400 O GLU A 92 -1.737 -0.854 9.416 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.827 -3.838 8.659 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.313 -3.959 8.493 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.661 -4.552 9.741 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.587 -5.800 9.813 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.242 -3.760 10.613 1.00 0.00 O ATOM 0 H GLU A 92 -5.139 -3.377 9.222 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.680 -2.874 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.231 -4.784 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.286 -3.645 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.089 -4.587 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.888 -2.976 8.291 1.00 0.00 H new ATOM 1412 N MET A 93 -3.615 -0.804 8.179 1.00 0.00 N ATOM 1413 CA MET A 93 -3.299 0.472 7.566 1.00 0.00 C ATOM 1414 C MET A 93 -3.088 1.518 8.653 1.00 0.00 C ATOM 1415 O MET A 93 -2.108 2.258 8.617 1.00 0.00 O ATOM 1416 CB MET A 93 -4.439 0.875 6.629 1.00 0.00 C ATOM 1417 CG MET A 93 -4.068 2.132 5.846 1.00 0.00 C ATOM 1418 SD MET A 93 -5.390 2.755 4.781 1.00 0.00 S ATOM 1419 CE MET A 93 -6.440 3.503 6.053 1.00 0.00 C ATOM 0 H MET A 93 -4.501 -1.211 7.879 1.00 0.00 H new ATOM 0 HA MET A 93 -2.381 0.394 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.656 0.060 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.346 1.053 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.783 2.915 6.549 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.192 1.920 5.233 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.390 3.803 5.610 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.622 2.778 6.847 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.941 4.378 6.469 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.005 1.580 9.620 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.947 2.556 10.698 1.00 0.00 C ATOM 1431 C ASP A 94 -2.757 2.309 11.622 1.00 0.00 C ATOM 1432 O ASP A 94 -2.236 3.238 12.234 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.239 2.450 11.501 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.390 3.610 12.482 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.544 4.755 12.003 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.349 3.341 13.705 1.00 0.00 O ATOM 0 H ASP A 94 -4.807 0.953 9.674 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.828 3.550 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.090 2.436 10.821 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.252 1.507 12.048 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.335 1.047 11.717 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.255 0.628 12.599 1.00 0.00 C ATOM 1443 C TRP A 95 0.122 1.062 12.096 1.00 0.00 C ATOM 1444 O TRP A 95 1.066 1.121 12.883 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.318 -0.894 12.741 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.314 -1.510 13.664 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.522 -1.838 14.957 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.069 -1.882 13.383 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.628 -2.384 15.491 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.648 -2.426 14.562 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.893 -1.807 12.247 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.977 -2.861 14.614 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.229 -2.233 12.286 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.774 -2.760 13.466 1.00 0.00 C ATOM 0 H TRP A 95 -2.740 0.283 11.177 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.390 1.114 13.565 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.315 -1.165 13.088 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.193 -1.337 11.753 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.449 -1.695 15.493 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.713 -2.715 16.452 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.490 -1.414 11.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.383 -3.269 15.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.843 -2.155 11.401 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.803 -3.086 13.490 1.00 0.00 H new ATOM 1465 N VAL A 96 0.255 1.367 10.801 1.00 0.00 N ATOM 1466 CA VAL A 96 1.539 1.764 10.226 1.00 0.00 C ATOM 1467 C VAL A 96 1.486 3.169 9.621 1.00 0.00 C ATOM 1468 O VAL A 96 2.532 3.776 9.400 1.00 0.00 O ATOM 1469 CB VAL A 96 2.003 0.700 9.222 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.975 0.492 8.123 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.349 1.061 8.599 1.00 0.00 C ATOM 0 H VAL A 96 -0.515 1.346 10.132 1.00 0.00 H new ATOM 0 HA VAL A 96 2.281 1.821 11.023 1.00 0.00 H new ATOM 0 HB VAL A 96 2.117 -0.229 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.334 -0.268 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.033 0.165 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.820 1.429 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.644 0.284 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.264 2.013 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.102 1.144 9.383 1.00 0.00 H new ATOM 1481 N LEU A 97 0.292 3.706 9.347 1.00 0.00 N ATOM 1482 CA LEU A 97 0.157 5.072 8.857 1.00 0.00 C ATOM 1483 C LEU A 97 0.619 6.091 9.903 1.00 0.00 C ATOM 1484 O LEU A 97 0.733 7.276 9.592 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.302 5.344 8.469 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.518 5.531 6.964 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.794 6.779 6.461 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.043 4.319 6.166 1.00 0.00 C ATOM 0 H LEU A 97 -0.593 3.210 9.458 1.00 0.00 H new ATOM 0 HA LEU A 97 0.795 5.180 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.920 4.516 8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.646 6.238 8.990 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.591 5.646 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.962 6.890 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.177 7.657 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.275 6.682 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.214 4.493 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.021 4.163 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.597 3.435 6.483 1.00 0.00 H new ATOM 1500 N LYS A 98 0.886 5.646 11.138 1.00 0.00 N ATOM 1501 CA LYS A 98 1.374 6.519 12.200 1.00 0.00 C ATOM 1502 C LYS A 98 2.750 7.103 11.880 1.00 0.00 C ATOM 1503 O LYS A 98 3.176 8.037 12.554 1.00 0.00 O ATOM 1504 CB LYS A 98 1.423 5.746 13.517 1.00 0.00 C ATOM 1505 CG LYS A 98 0.047 5.203 13.916 1.00 0.00 C ATOM 1506 CD LYS A 98 -1.036 6.282 13.996 1.00 0.00 C ATOM 1507 CE LYS A 98 -0.639 7.382 14.982 1.00 0.00 C ATOM 1508 NZ LYS A 98 -1.695 8.405 15.093 1.00 0.00 N ATOM 0 H LYS A 98 0.769 4.674 11.423 1.00 0.00 H new ATOM 0 HA LYS A 98 0.681 7.356 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.127 4.919 13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.798 6.398 14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.259 4.445 13.195 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.127 4.708 14.884 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.198 6.714 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.980 5.833 14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.449 6.944 15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.290 7.849 14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.398 9.138 15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.858 8.838 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.574 7.961 15.428 1.00 0.00 H new