USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -1.73 (180deg=-1.93) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.894 K(o=0.89,f=-0.12) USER MOD Single : A 36 SER OG : rot 135:sc= 0.0324 USER MOD Single : A 38 TYR OH : rot 144:sc= 0.0305 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.174) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -2.9! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -1.05 USER MOD Single : A 95 THR OG1 : rot -9:sc= 0.267 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 117 CYS SG : rot -32:sc= 0.0271 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.174 4.047 12.006 1.00 0.00 N ATOM 120 CA VAL A 13 -8.614 3.843 11.895 1.00 0.00 C ATOM 121 C VAL A 13 -8.991 2.402 12.218 1.00 0.00 C ATOM 122 O VAL A 13 -9.893 2.149 13.017 1.00 0.00 O ATOM 123 CB VAL A 13 -9.122 4.190 10.483 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.633 4.031 10.405 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.706 5.603 10.100 1.00 0.00 C ATOM 0 HA VAL A 13 -9.085 4.510 12.617 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.671 3.497 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.974 4.280 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.903 3.000 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.107 4.698 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.073 5.832 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.128 6.312 10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.619 5.678 10.114 1.00 0.00 H new ATOM 135 N LYS A 14 -8.295 1.459 11.593 1.00 0.00 N ATOM 136 CA LYS A 14 -8.554 0.041 11.815 1.00 0.00 C ATOM 137 C LYS A 14 -7.258 -0.712 12.097 1.00 0.00 C ATOM 138 O LYS A 14 -6.201 -0.362 11.573 1.00 0.00 O ATOM 139 CB LYS A 14 -9.255 -0.567 10.598 1.00 0.00 C ATOM 140 CG LYS A 14 -9.689 -2.008 10.802 1.00 0.00 C ATOM 141 CD LYS A 14 -10.252 -2.607 9.525 1.00 0.00 C ATOM 142 CE LYS A 14 -10.514 -4.098 9.676 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.553 -4.579 8.725 1.00 0.00 N ATOM 0 H LYS A 14 -7.546 1.651 10.928 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.204 -0.052 12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.130 0.036 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.584 -0.516 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.839 -2.601 11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.442 -2.054 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.179 -2.099 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.553 -2.441 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.588 -4.648 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.831 -4.309 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.548 -5.619 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.488 -4.244 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.350 -4.210 7.774 1.00 0.00 H new ATOM 157 N GLN A 15 -7.349 -1.747 12.925 1.00 0.00 N ATOM 158 CA GLN A 15 -6.182 -2.550 13.274 1.00 0.00 C ATOM 159 C GLN A 15 -6.466 -4.036 13.082 1.00 0.00 C ATOM 160 O GLN A 15 -7.573 -4.505 13.342 1.00 0.00 O ATOM 161 CB GLN A 15 -5.768 -2.281 14.722 1.00 0.00 C ATOM 162 CG GLN A 15 -5.185 -0.894 14.941 1.00 0.00 C ATOM 163 CD GLN A 15 -4.908 -0.601 16.402 1.00 0.00 C ATOM 164 OE1 GLN A 15 -5.410 -1.290 17.291 1.00 0.00 O ATOM 165 NE2 GLN A 15 -4.106 0.426 16.659 1.00 0.00 N ATOM 0 H GLN A 15 -8.217 -2.050 13.367 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.365 -2.267 12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.636 -2.407 15.369 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.033 -3.027 15.026 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.259 -0.800 14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.876 -0.148 14.549 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.712 0.970 15.891 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.884 0.671 17.624 1.00 0.00 H new ATOM 174 N GLY A 16 -5.457 -4.771 12.623 1.00 0.00 N ATOM 175 CA GLY A 16 -5.619 -6.196 12.403 1.00 0.00 C ATOM 176 C GLY A 16 -4.340 -6.858 11.929 1.00 0.00 C ATOM 177 O GLY A 16 -3.329 -6.190 11.713 1.00 0.00 O ATOM 0 H GLY A 16 -4.531 -4.405 12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.948 -6.668 13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.404 -6.360 11.665 1.00 0.00 H new ATOM 181 N PHE A 17 -4.383 -8.177 11.768 1.00 0.00 N ATOM 182 CA PHE A 17 -3.218 -8.931 11.320 1.00 0.00 C ATOM 183 C PHE A 17 -3.413 -9.436 9.893 1.00 0.00 C ATOM 184 O PHE A 17 -4.434 -10.046 9.572 1.00 0.00 O ATOM 185 CB PHE A 17 -2.955 -10.109 12.259 1.00 0.00 C ATOM 186 CG PHE A 17 -2.491 -9.695 13.626 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.197 -9.241 13.825 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.349 -9.759 14.712 1.00 0.00 C ATOM 189 CE1 PHE A 17 -0.767 -8.859 15.082 1.00 0.00 C ATOM 190 CE2 PHE A 17 -2.925 -9.378 15.971 1.00 0.00 C ATOM 191 CZ PHE A 17 -1.632 -8.928 16.156 1.00 0.00 C ATOM 0 H PHE A 17 -5.212 -8.745 11.941 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.356 -8.264 11.336 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.868 -10.696 12.357 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.204 -10.760 11.811 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.516 -9.185 12.988 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.361 -10.111 14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.244 -8.507 15.224 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.604 -9.432 16.809 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.298 -8.631 17.139 1.00 0.00 H new ATOM 201 N LEU A 18 -2.428 -9.177 9.041 1.00 0.00 N ATOM 202 CA LEU A 18 -2.490 -9.605 7.647 1.00 0.00 C ATOM 203 C LEU A 18 -1.353 -10.569 7.323 1.00 0.00 C ATOM 204 O LEU A 18 -0.264 -10.474 7.889 1.00 0.00 O ATOM 205 CB LEU A 18 -2.426 -8.392 6.718 1.00 0.00 C ATOM 206 CG LEU A 18 -3.656 -7.484 6.713 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.302 -6.108 6.171 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.777 -8.109 5.895 1.00 0.00 C ATOM 0 H LEU A 18 -1.577 -8.673 9.290 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.436 -10.123 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.558 -7.793 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.257 -8.747 5.701 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.003 -7.369 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.190 -5.476 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.533 -5.657 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.929 -6.203 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.644 -7.449 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.441 -8.255 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.050 -9.072 6.327 1.00 0.00 H new ATOM 220 N TYR A 19 -1.614 -11.495 6.407 1.00 0.00 N ATOM 221 CA TYR A 19 -0.613 -12.477 6.006 1.00 0.00 C ATOM 222 C TYR A 19 0.004 -12.109 4.661 1.00 0.00 C ATOM 223 O TYR A 19 -0.703 -11.939 3.666 1.00 0.00 O ATOM 224 CB TYR A 19 -1.239 -13.871 5.929 1.00 0.00 C ATOM 225 CG TYR A 19 -2.295 -14.120 6.981 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.957 -14.217 8.325 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.633 -14.258 6.631 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.919 -14.445 9.290 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.602 -14.484 7.589 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.240 -14.578 8.917 1.00 0.00 C ATOM 231 OH TYR A 19 -5.202 -14.804 9.875 1.00 0.00 O ATOM 0 H TYR A 19 -2.510 -11.586 5.928 1.00 0.00 H new ATOM 0 HA TYR A 19 0.177 -12.481 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.682 -14.007 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.453 -14.619 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.924 -14.112 8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.920 -14.187 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.638 -14.519 10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.638 -14.587 7.300 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.081 -14.872 9.446 1.00 0.00 H new ATOM 241 N LEU A 20 1.326 -11.987 4.637 1.00 0.00 N ATOM 242 CA LEU A 20 2.041 -11.639 3.414 1.00 0.00 C ATOM 243 C LEU A 20 2.929 -12.792 2.956 1.00 0.00 C ATOM 244 O LEU A 20 3.991 -13.035 3.528 1.00 0.00 O ATOM 245 CB LEU A 20 2.889 -10.385 3.634 1.00 0.00 C ATOM 246 CG LEU A 20 3.804 -9.982 2.477 1.00 0.00 C ATOM 247 CD1 LEU A 20 2.986 -9.668 1.234 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.663 -8.788 2.868 1.00 0.00 C ATOM 0 H LEU A 20 1.925 -12.124 5.451 1.00 0.00 H new ATOM 0 HA LEU A 20 1.304 -11.440 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.220 -9.552 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.504 -10.538 4.521 1.00 0.00 H new ATOM 0 HG LEU A 20 4.463 -10.820 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.654 -9.383 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.415 -10.549 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.302 -8.846 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.308 -8.515 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.020 -7.945 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.277 -9.048 3.730 1.00 0.00 H new ATOM 260 N GLN A 21 2.486 -13.497 1.920 1.00 0.00 N ATOM 261 CA GLN A 21 3.241 -14.624 1.384 1.00 0.00 C ATOM 262 C GLN A 21 4.611 -14.173 0.887 1.00 0.00 C ATOM 263 O GLN A 21 4.713 -13.295 0.032 1.00 0.00 O ATOM 264 CB GLN A 21 2.466 -15.289 0.245 1.00 0.00 C ATOM 265 CG GLN A 21 2.756 -16.774 0.098 1.00 0.00 C ATOM 266 CD GLN A 21 1.935 -17.424 -0.998 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.377 -17.526 -2.143 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.732 -17.867 -0.653 1.00 0.00 N ATOM 0 H GLN A 21 1.609 -13.308 1.435 1.00 0.00 H new ATOM 0 HA GLN A 21 3.385 -15.347 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.398 -15.151 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.708 -14.785 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.816 -16.914 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.553 -17.275 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.406 -17.762 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.134 -18.313 -1.349 1.00 0.00 H new ATOM 413 N TRP A 30 2.996 -18.896 5.137 1.00 0.00 N ATOM 414 CA TRP A 30 2.165 -17.761 5.520 1.00 0.00 C ATOM 415 C TRP A 30 2.642 -17.156 6.836 1.00 0.00 C ATOM 416 O TRP A 30 2.705 -17.840 7.857 1.00 0.00 O ATOM 417 CB TRP A 30 0.702 -18.192 5.644 1.00 0.00 C ATOM 418 CG TRP A 30 -0.012 -18.252 4.328 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.528 -19.364 3.725 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.288 -17.154 3.452 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.108 -19.023 2.527 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.975 -17.673 2.336 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.024 -15.783 3.501 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.398 -16.868 1.282 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.444 -14.985 2.454 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.126 -15.529 1.357 1.00 0.00 C ATOM 0 HA TRP A 30 2.249 -17.003 4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.658 -19.172 6.118 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.180 -17.497 6.301 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.486 -20.364 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.564 -19.670 1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.499 -15.354 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.922 -17.285 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.243 -13.924 2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.443 -14.879 0.555 1.00 0.00 H new ATOM 437 N ARG A 31 2.977 -15.871 6.804 1.00 0.00 N ATOM 438 CA ARG A 31 3.450 -15.175 7.995 1.00 0.00 C ATOM 439 C ARG A 31 2.600 -13.939 8.276 1.00 0.00 C ATOM 440 O ARG A 31 2.357 -13.125 7.385 1.00 0.00 O ATOM 441 CB ARG A 31 4.916 -14.771 7.828 1.00 0.00 C ATOM 442 CG ARG A 31 5.894 -15.898 8.114 1.00 0.00 C ATOM 443 CD ARG A 31 6.186 -16.714 6.864 1.00 0.00 C ATOM 444 NE ARG A 31 7.101 -17.820 7.134 1.00 0.00 N ATOM 445 CZ ARG A 31 6.757 -18.911 7.807 1.00 0.00 C ATOM 446 NH1 ARG A 31 5.524 -19.043 8.276 1.00 0.00 N ATOM 447 NH2 ARG A 31 7.646 -19.875 8.011 1.00 0.00 N ATOM 0 H ARG A 31 2.930 -15.290 5.967 1.00 0.00 H new ATOM 0 HA ARG A 31 3.362 -15.856 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.072 -14.415 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.132 -13.936 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.824 -15.484 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.485 -16.549 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.252 -17.106 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.616 -16.066 6.100 1.00 0.00 H new ATOM 0 HE ARG A 31 8.057 -17.750 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.837 -18.305 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.262 -19.882 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.595 -19.778 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.380 -20.713 8.528 1.00 0.00 H new ATOM 461 N ARG A 32 2.150 -13.807 9.520 1.00 0.00 N ATOM 462 CA ARG A 32 1.326 -12.672 9.917 1.00 0.00 C ATOM 463 C ARG A 32 2.179 -11.574 10.546 1.00 0.00 C ATOM 464 O ARG A 32 3.224 -11.847 11.137 1.00 0.00 O ATOM 465 CB ARG A 32 0.245 -13.120 10.903 1.00 0.00 C ATOM 466 CG ARG A 32 0.775 -13.412 12.297 1.00 0.00 C ATOM 467 CD ARG A 32 1.084 -14.890 12.478 1.00 0.00 C ATOM 468 NE ARG A 32 2.194 -15.108 13.402 1.00 0.00 N ATOM 469 CZ ARG A 32 2.415 -16.259 14.026 1.00 0.00 C ATOM 470 NH1 ARG A 32 1.607 -17.291 13.827 1.00 0.00 N ATOM 471 NH2 ARG A 32 3.447 -16.380 14.851 1.00 0.00 N ATOM 0 H ARG A 32 2.342 -14.472 10.269 1.00 0.00 H new ATOM 0 HA ARG A 32 0.849 -12.271 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.518 -12.345 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.242 -14.014 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.677 -12.826 12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.041 -13.099 13.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.197 -15.403 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.325 -15.331 11.511 1.00 0.00 H new ATOM 0 HE ARG A 32 2.834 -14.334 13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.813 -17.202 13.193 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.779 -18.174 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.071 -15.588 15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.616 -17.265 15.330 1.00 0.00 H new ATOM 485 N PHE A 33 1.727 -10.332 10.414 1.00 0.00 N ATOM 486 CA PHE A 33 2.449 -9.192 10.968 1.00 0.00 C ATOM 487 C PHE A 33 1.483 -8.087 11.386 1.00 0.00 C ATOM 488 O PHE A 33 0.429 -7.906 10.778 1.00 0.00 O ATOM 489 CB PHE A 33 3.450 -8.650 9.945 1.00 0.00 C ATOM 490 CG PHE A 33 4.246 -9.723 9.259 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.314 -10.329 9.901 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.928 -10.125 7.972 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.049 -11.317 9.273 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.658 -11.113 7.339 1.00 0.00 C ATOM 495 CZ PHE A 33 5.721 -11.709 7.990 1.00 0.00 C ATOM 0 H PHE A 33 0.864 -10.089 9.928 1.00 0.00 H new ATOM 0 HA PHE A 33 2.990 -9.531 11.852 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.912 -8.071 9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.134 -7.965 10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.575 -10.026 10.904 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.100 -9.661 7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.879 -11.782 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.398 -11.419 6.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.294 -12.480 7.497 1.00 0.00 H new ATOM 505 N GLY A 34 1.852 -7.351 12.430 1.00 0.00 N ATOM 506 CA GLY A 34 1.008 -6.274 12.913 1.00 0.00 C ATOM 507 C GLY A 34 0.760 -5.214 11.858 1.00 0.00 C ATOM 508 O GLY A 34 1.617 -4.368 11.605 1.00 0.00 O ATOM 0 H GLY A 34 2.720 -7.481 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.054 -6.684 13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.475 -5.813 13.784 1.00 0.00 H new ATOM 512 N ALA A 35 -0.416 -5.261 11.239 1.00 0.00 N ATOM 513 CA ALA A 35 -0.774 -4.298 10.206 1.00 0.00 C ATOM 514 C ALA A 35 -1.682 -3.207 10.764 1.00 0.00 C ATOM 515 O ALA A 35 -2.748 -3.492 11.308 1.00 0.00 O ATOM 516 CB ALA A 35 -1.449 -5.003 9.038 1.00 0.00 C ATOM 0 H ALA A 35 -1.136 -5.956 11.436 1.00 0.00 H new ATOM 0 HA ALA A 35 0.142 -3.826 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.711 -4.271 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.767 -5.741 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.353 -5.502 9.387 1.00 0.00 H new ATOM 522 N SER A 36 -1.251 -1.957 10.625 1.00 0.00 N ATOM 523 CA SER A 36 -2.023 -0.823 11.119 1.00 0.00 C ATOM 524 C SER A 36 -2.420 0.105 9.975 1.00 0.00 C ATOM 525 O SER A 36 -1.587 0.485 9.151 1.00 0.00 O ATOM 526 CB SER A 36 -1.218 -0.047 12.164 1.00 0.00 C ATOM 527 OG SER A 36 -0.840 -0.886 13.242 1.00 0.00 O ATOM 0 H SER A 36 -0.372 -1.704 10.174 1.00 0.00 H new ATOM 0 HA SER A 36 -2.931 -1.209 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.328 0.378 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.811 0.787 12.539 1.00 0.00 H new ATOM 0 HG SER A 36 0.103 -0.734 13.460 1.00 0.00 H new ATOM 533 N LEU A 37 -3.697 0.465 9.930 1.00 0.00 N ATOM 534 CA LEU A 37 -4.207 1.349 8.886 1.00 0.00 C ATOM 535 C LEU A 37 -4.407 2.763 9.421 1.00 0.00 C ATOM 536 O LEU A 37 -5.272 3.003 10.264 1.00 0.00 O ATOM 537 CB LEU A 37 -5.527 0.809 8.333 1.00 0.00 C ATOM 538 CG LEU A 37 -6.153 1.609 7.190 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.240 1.607 5.974 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.521 1.048 6.833 1.00 0.00 C ATOM 0 H LEU A 37 -4.399 0.159 10.604 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.471 1.385 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.363 -0.212 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.246 0.757 9.150 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.280 2.640 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.702 2.181 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.283 2.057 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.080 0.582 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.951 1.630 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.418 0.008 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.175 1.103 7.703 1.00 0.00 H new ATOM 552 N TYR A 38 -3.603 3.697 8.923 1.00 0.00 N ATOM 553 CA TYR A 38 -3.692 5.088 9.351 1.00 0.00 C ATOM 554 C TYR A 38 -4.390 5.939 8.295 1.00 0.00 C ATOM 555 O TYR A 38 -4.432 5.579 7.119 1.00 0.00 O ATOM 556 CB TYR A 38 -2.296 5.648 9.631 1.00 0.00 C ATOM 557 CG TYR A 38 -1.581 4.949 10.765 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.980 5.133 12.083 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.504 4.105 10.519 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.329 4.497 13.123 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.152 3.464 11.552 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.264 3.664 12.852 1.00 0.00 C ATOM 563 OH TYR A 38 0.388 3.028 13.884 1.00 0.00 O ATOM 0 H TYR A 38 -2.883 3.516 8.223 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.281 5.122 10.268 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.693 5.567 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.379 6.710 9.864 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.814 5.785 12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.174 3.948 9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.652 4.651 14.142 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.986 2.810 11.343 1.00 0.00 H new ATOM 0 HH TYR A 38 0.664 2.133 13.595 1.00 0.00 H new ATOM 573 N GLY A 39 -4.937 7.073 8.724 1.00 0.00 N ATOM 574 CA GLY A 39 -5.626 7.959 7.804 1.00 0.00 C ATOM 575 C GLY A 39 -7.112 8.050 8.090 1.00 0.00 C ATOM 576 O GLY A 39 -7.524 8.140 9.245 1.00 0.00 O ATOM 0 H GLY A 39 -4.915 7.393 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.186 8.954 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.476 7.606 6.784 1.00 0.00 H new ATOM 650 N ALA A 46 -2.455 8.320 4.546 1.00 0.00 N ATOM 651 CA ALA A 46 -2.837 6.941 4.824 1.00 0.00 C ATOM 652 C ALA A 46 -1.783 5.965 4.313 1.00 0.00 C ATOM 653 O ALA A 46 -1.355 6.046 3.161 1.00 0.00 O ATOM 654 CB ALA A 46 -4.191 6.633 4.203 1.00 0.00 C ATOM 0 HA ALA A 46 -2.910 6.821 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.464 5.600 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.944 7.302 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.137 6.776 3.124 1.00 0.00 H new ATOM 660 N ARG A 47 -1.367 5.044 5.176 1.00 0.00 N ATOM 661 CA ARG A 47 -0.361 4.054 4.811 1.00 0.00 C ATOM 662 C ARG A 47 -0.470 2.816 5.697 1.00 0.00 C ATOM 663 O ARG A 47 -0.860 2.906 6.862 1.00 0.00 O ATOM 664 CB ARG A 47 1.041 4.654 4.925 1.00 0.00 C ATOM 665 CG ARG A 47 1.362 5.194 6.310 1.00 0.00 C ATOM 666 CD ARG A 47 2.856 5.416 6.489 1.00 0.00 C ATOM 667 NE ARG A 47 3.265 6.752 6.065 1.00 0.00 N ATOM 668 CZ ARG A 47 4.355 7.364 6.515 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.141 6.762 7.397 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.661 8.580 6.082 1.00 0.00 N ATOM 0 H ARG A 47 -1.711 4.963 6.133 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.538 3.757 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.775 3.893 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.143 5.460 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.832 6.133 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.004 4.495 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.121 5.271 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.405 4.670 5.915 1.00 0.00 H new ATOM 0 HE ARG A 47 2.682 7.242 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.909 5.827 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.977 7.234 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.059 9.046 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.498 9.049 6.428 1.00 0.00 H new ATOM 684 N LEU A 48 -0.124 1.662 5.138 1.00 0.00 N ATOM 685 CA LEU A 48 -0.183 0.406 5.877 1.00 0.00 C ATOM 686 C LEU A 48 1.202 -0.004 6.366 1.00 0.00 C ATOM 687 O LEU A 48 2.087 -0.311 5.568 1.00 0.00 O ATOM 688 CB LEU A 48 -0.773 -0.698 4.997 1.00 0.00 C ATOM 689 CG LEU A 48 -1.544 -1.798 5.728 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.781 -1.225 6.402 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.927 -2.912 4.764 1.00 0.00 C ATOM 0 H LEU A 48 0.200 1.570 4.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.825 0.553 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.440 -0.237 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.039 -1.162 4.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.897 -2.218 6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.317 -2.022 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.483 -0.464 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.431 -0.778 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.475 -3.686 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.556 -2.507 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.025 -3.342 4.328 1.00 0.00 H new ATOM 703 N GLU A 49 1.382 -0.008 7.683 1.00 0.00 N ATOM 704 CA GLU A 49 2.660 -0.381 8.278 1.00 0.00 C ATOM 705 C GLU A 49 2.649 -1.843 8.717 1.00 0.00 C ATOM 706 O GLU A 49 1.587 -2.445 8.884 1.00 0.00 O ATOM 707 CB GLU A 49 2.974 0.520 9.474 1.00 0.00 C ATOM 708 CG GLU A 49 1.892 0.514 10.541 1.00 0.00 C ATOM 709 CD GLU A 49 2.393 1.010 11.883 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.153 2.002 11.903 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.027 0.408 12.914 1.00 0.00 O ATOM 0 H GLU A 49 0.659 0.243 8.358 1.00 0.00 H new ATOM 0 HA GLU A 49 3.435 -0.252 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.915 0.201 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.119 1.541 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.061 1.139 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.504 -0.498 10.654 1.00 0.00 H new ATOM 718 N LEU A 50 3.837 -2.407 8.903 1.00 0.00 N ATOM 719 CA LEU A 50 3.966 -3.798 9.322 1.00 0.00 C ATOM 720 C LEU A 50 4.976 -3.934 10.457 1.00 0.00 C ATOM 721 O LEU A 50 5.781 -3.034 10.693 1.00 0.00 O ATOM 722 CB LEU A 50 4.390 -4.671 8.140 1.00 0.00 C ATOM 723 CG LEU A 50 3.373 -4.804 7.005 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.916 -5.703 5.905 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.052 -5.342 7.533 1.00 0.00 C ATOM 0 H LEU A 50 4.725 -1.923 8.770 1.00 0.00 H new ATOM 0 HA LEU A 50 2.994 -4.134 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.314 -4.266 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.619 -5.669 8.515 1.00 0.00 H new ATOM 0 HG LEU A 50 3.196 -3.815 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.179 -5.786 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.836 -5.276 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.122 -6.693 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.341 -5.430 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.212 -6.323 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.656 -4.659 8.285 1.00 0.00 H new ATOM 737 N GLN A 51 4.928 -5.065 11.153 1.00 0.00 N ATOM 738 CA GLN A 51 5.841 -5.318 12.262 1.00 0.00 C ATOM 739 C GLN A 51 6.147 -6.807 12.386 1.00 0.00 C ATOM 740 O GLN A 51 5.239 -7.634 12.437 1.00 0.00 O ATOM 741 CB GLN A 51 5.243 -4.798 13.571 1.00 0.00 C ATOM 742 CG GLN A 51 6.283 -4.507 14.641 1.00 0.00 C ATOM 743 CD GLN A 51 5.693 -4.487 16.037 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.279 -5.520 16.564 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.651 -3.307 16.646 1.00 0.00 N ATOM 0 H GLN A 51 4.267 -5.820 10.969 1.00 0.00 H new ATOM 0 HA GLN A 51 6.773 -4.789 12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.679 -3.888 13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.535 -5.533 13.954 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.069 -5.261 14.593 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.752 -3.545 14.435 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.005 -2.476 16.173 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.265 -3.232 17.587 1.00 0.00 H new ATOM 959 N LYS A 65 8.959 -2.312 8.174 1.00 0.00 N ATOM 960 CA LYS A 65 8.411 -2.530 6.840 1.00 0.00 C ATOM 961 C LYS A 65 7.056 -1.845 6.691 1.00 0.00 C ATOM 962 O LYS A 65 6.079 -2.233 7.332 1.00 0.00 O ATOM 963 CB LYS A 65 8.270 -4.029 6.562 1.00 0.00 C ATOM 964 CG LYS A 65 9.585 -4.710 6.225 1.00 0.00 C ATOM 965 CD LYS A 65 9.359 -6.054 5.551 1.00 0.00 C ATOM 966 CE LYS A 65 8.961 -5.886 4.093 1.00 0.00 C ATOM 967 NZ LYS A 65 10.104 -5.426 3.255 1.00 0.00 N ATOM 0 HA LYS A 65 9.100 -2.096 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.833 -4.513 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.573 -4.173 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.172 -4.067 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.167 -4.852 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.268 -6.652 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.580 -6.602 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.586 -6.834 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.145 -5.167 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.876 -5.565 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.281 -4.417 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.954 -5.975 3.496 1.00 0.00 H new ATOM 981 N VAL A 66 7.004 -0.826 5.839 1.00 0.00 N ATOM 982 CA VAL A 66 5.768 -0.089 5.604 1.00 0.00 C ATOM 983 C VAL A 66 5.500 0.072 4.112 1.00 0.00 C ATOM 984 O VAL A 66 6.428 0.222 3.317 1.00 0.00 O ATOM 985 CB VAL A 66 5.811 1.304 6.260 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.704 2.242 5.462 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.407 1.874 6.392 1.00 0.00 C ATOM 0 H VAL A 66 7.803 -0.492 5.300 1.00 0.00 H new ATOM 0 HA VAL A 66 4.963 -0.669 6.055 1.00 0.00 H new ATOM 0 HB VAL A 66 6.232 1.203 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.722 3.221 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.715 1.837 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.315 2.340 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.456 2.858 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.956 1.962 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.802 1.211 7.010 1.00 0.00 H new ATOM 997 N ILE A 67 4.225 0.040 3.738 1.00 0.00 N ATOM 998 CA ILE A 67 3.835 0.184 2.341 1.00 0.00 C ATOM 999 C ILE A 67 2.839 1.325 2.164 1.00 0.00 C ATOM 1000 O ILE A 67 1.675 1.212 2.546 1.00 0.00 O ATOM 1001 CB ILE A 67 3.213 -1.114 1.794 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.189 -2.282 1.957 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.826 -0.941 0.333 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.512 -3.634 1.996 1.00 0.00 C ATOM 0 H ILE A 67 3.445 -0.084 4.383 1.00 0.00 H new ATOM 0 HA ILE A 67 4.743 0.407 1.781 1.00 0.00 H new ATOM 0 HB ILE A 67 2.311 -1.336 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.903 -2.266 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.759 -2.143 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.388 -1.867 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.100 -0.133 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.713 -0.698 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.264 -4.414 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.818 -3.669 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.965 -3.794 1.067 1.00 0.00 H new ATOM 1016 N ARG A 68 3.306 2.424 1.579 1.00 0.00 N ATOM 1017 CA ARG A 68 2.457 3.587 1.350 1.00 0.00 C ATOM 1018 C ARG A 68 1.249 3.217 0.494 1.00 0.00 C ATOM 1019 O ARG A 68 1.395 2.755 -0.639 1.00 0.00 O ATOM 1020 CB ARG A 68 3.254 4.702 0.672 1.00 0.00 C ATOM 1021 CG ARG A 68 4.343 5.294 1.551 1.00 0.00 C ATOM 1022 CD ARG A 68 5.428 5.962 0.721 1.00 0.00 C ATOM 1023 NE ARG A 68 4.923 7.125 -0.005 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.703 7.982 -0.654 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.017 7.807 -0.668 1.00 0.00 N ATOM 1026 NH2 ARG A 68 5.169 9.015 -1.291 1.00 0.00 N ATOM 0 H ARG A 68 4.267 2.533 1.255 1.00 0.00 H new ATOM 0 HA ARG A 68 2.101 3.942 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.707 4.311 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.570 5.496 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.905 6.023 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.784 4.508 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.246 6.269 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.838 5.242 0.013 1.00 0.00 H new ATOM 0 HE ARG A 68 3.916 7.288 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.431 7.013 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.614 8.466 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.158 9.152 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.769 9.673 -1.789 1.00 0.00 H new ATOM 1040 N LEU A 69 0.057 3.424 1.041 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.177 3.112 0.328 1.00 0.00 C ATOM 1042 C LEU A 69 -1.308 3.963 -0.931 1.00 0.00 C ATOM 1043 O LEU A 69 -2.012 3.594 -1.871 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.386 3.337 1.238 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.660 2.246 2.273 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -3.904 2.577 3.082 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.809 0.892 1.594 1.00 0.00 C ATOM 0 H LEU A 69 -0.082 3.807 1.976 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.142 2.063 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.249 4.282 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.271 3.446 0.612 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.811 2.198 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.083 1.789 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.760 3.526 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.762 2.654 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.004 0.127 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.640 0.928 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.890 0.650 1.060 1.00 0.00 H new ATOM 1059 N SER A 70 -0.624 5.102 -0.943 1.00 0.00 N ATOM 1060 CA SER A 70 -0.665 6.007 -2.086 1.00 0.00 C ATOM 1061 C SER A 70 0.111 5.428 -3.265 1.00 0.00 C ATOM 1062 O SER A 70 -0.018 5.896 -4.397 1.00 0.00 O ATOM 1063 CB SER A 70 -0.090 7.372 -1.704 1.00 0.00 C ATOM 1064 OG SER A 70 -0.013 8.227 -2.831 1.00 0.00 O ATOM 0 H SER A 70 -0.034 5.421 -0.174 1.00 0.00 H new ATOM 0 HA SER A 70 -1.706 6.130 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.714 7.831 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.903 7.244 -1.272 1.00 0.00 H new ATOM 0 HG SER A 70 0.356 9.093 -2.560 1.00 0.00 H new ATOM 1070 N ASP A 71 0.915 4.407 -2.991 1.00 0.00 N ATOM 1071 CA ASP A 71 1.712 3.762 -4.029 1.00 0.00 C ATOM 1072 C ASP A 71 0.920 2.648 -4.708 1.00 0.00 C ATOM 1073 O ASP A 71 1.241 2.237 -5.824 1.00 0.00 O ATOM 1074 CB ASP A 71 3.002 3.197 -3.433 1.00 0.00 C ATOM 1075 CG ASP A 71 4.054 4.266 -3.210 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.729 5.295 -2.582 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.201 4.075 -3.665 1.00 0.00 O ATOM 0 H ASP A 71 1.033 4.008 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 71 1.965 4.512 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.777 2.709 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.401 2.432 -4.098 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.112 2.164 -4.027 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.949 1.096 -4.564 1.00 0.00 C ATOM 1084 C CYS A 72 -1.509 1.479 -5.930 1.00 0.00 C ATOM 1085 O CYS A 72 -2.270 2.440 -6.054 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.093 0.783 -3.600 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.559 0.070 -2.026 1.00 0.00 S ATOM 0 H CYS A 72 -0.390 2.493 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.330 0.207 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.648 1.700 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.783 0.092 -4.084 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.598 -0.158 -1.278 1.00 0.00 H new ATOM 1093 N LEU A 73 -1.127 0.723 -6.953 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.589 0.984 -8.312 1.00 0.00 C ATOM 1095 C LEU A 73 -3.012 0.470 -8.511 1.00 0.00 C ATOM 1096 O LEU A 73 -3.869 1.177 -9.040 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.651 0.327 -9.326 1.00 0.00 C ATOM 1098 CG LEU A 73 0.785 0.850 -9.348 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.712 -0.162 -10.005 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.855 2.187 -10.071 1.00 0.00 C ATOM 0 H LEU A 73 -0.498 -0.076 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.586 2.063 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.623 -0.744 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.078 0.453 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 73 1.113 0.998 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.730 0.228 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.685 -1.097 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.386 -0.343 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.885 2.544 -10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.508 2.065 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.223 2.912 -9.558 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.255 -0.764 -8.081 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.574 -1.372 -8.211 1.00 0.00 C ATOM 1114 C ARG A 74 -4.731 -2.542 -7.244 1.00 0.00 C ATOM 1115 O ARG A 74 -3.786 -3.294 -7.005 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.800 -1.849 -9.647 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.254 -2.156 -9.965 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.092 -0.887 -10.022 1.00 0.00 C ATOM 1119 NE ARG A 74 -8.456 -1.152 -10.472 1.00 0.00 N ATOM 1120 CZ ARG A 74 -9.415 -0.234 -10.489 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -9.161 1.003 -10.085 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -10.632 -0.551 -10.912 1.00 0.00 N ATOM 0 H ARG A 74 -2.556 -1.362 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.320 -0.617 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.440 -1.085 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.202 -2.743 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.316 -2.678 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.659 -2.827 -9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.119 -0.426 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.621 -0.171 -10.695 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.684 -2.094 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.227 1.252 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.900 1.706 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.832 -1.501 -11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.368 0.155 -10.924 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.930 -2.689 -6.691 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.211 -3.768 -5.751 1.00 0.00 C ATOM 1138 C VAL A 75 -7.513 -4.479 -6.104 1.00 0.00 C ATOM 1139 O VAL A 75 -8.388 -3.908 -6.753 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.302 -3.243 -4.305 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.017 -2.528 -3.915 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.503 -2.324 -4.147 1.00 0.00 C ATOM 0 H VAL A 75 -6.723 -2.075 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.383 -4.474 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.434 -4.093 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.100 -2.164 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.179 -3.221 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.851 -1.686 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.552 -1.963 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.405 -1.477 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.415 -2.873 -4.382 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.633 -5.730 -5.671 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.828 -6.520 -5.939 1.00 0.00 C ATOM 1154 C ALA A 76 -9.027 -7.594 -4.875 1.00 0.00 C ATOM 1155 O ALA A 76 -8.128 -7.866 -4.080 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.744 -7.152 -7.321 1.00 0.00 C ATOM 0 H ALA A 76 -6.917 -6.218 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.689 -5.852 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.643 -7.739 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.659 -6.369 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.870 -7.801 -7.372 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.210 -8.199 -4.866 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.526 -9.243 -3.897 1.00 0.00 C ATOM 1164 C GLU A 77 -10.398 -10.627 -4.527 1.00 0.00 C ATOM 1165 O GLU A 77 -11.177 -10.995 -5.405 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.942 -9.049 -3.349 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.198 -7.654 -2.805 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.709 -6.698 -3.865 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.937 -6.657 -4.086 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -11.879 -5.990 -4.474 1.00 0.00 O ATOM 0 H GLU A 77 -10.965 -7.985 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.813 -9.169 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.661 -9.259 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.119 -9.777 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.924 -7.712 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.275 -7.259 -2.380 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.408 -11.388 -4.072 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.178 -12.731 -4.588 1.00 0.00 C ATOM 1179 C ALA A 78 -9.980 -13.765 -3.806 1.00 0.00 C ATOM 1180 O ALA A 78 -10.705 -13.426 -2.871 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.695 -13.067 -4.544 1.00 0.00 C ATOM 0 H ALA A 78 -8.752 -11.097 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.514 -12.757 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.538 -14.073 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.142 -12.352 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.341 -13.016 -3.514 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.435 -20.961 3.940 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.258 -20.234 4.900 1.00 0.00 C ATOM 1288 C ASP A 87 -11.822 -18.775 4.995 1.00 0.00 C ATOM 1289 O ASP A 87 -12.201 -18.062 5.925 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.178 -20.895 6.277 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.147 -22.052 6.421 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.361 -21.795 6.561 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -12.691 -23.214 6.394 1.00 0.00 O ATOM 0 HA ASP A 87 -13.290 -20.263 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.162 -21.252 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.387 -20.152 7.046 1.00 0.00 H new ATOM 1298 N THR A 88 -11.021 -18.338 4.028 1.00 0.00 N ATOM 1299 CA THR A 88 -10.531 -16.965 4.004 1.00 0.00 C ATOM 1300 C THR A 88 -10.604 -16.380 2.599 1.00 0.00 C ATOM 1301 O THR A 88 -10.938 -17.079 1.642 1.00 0.00 O ATOM 1302 CB THR A 88 -9.079 -16.879 4.510 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.240 -17.751 3.744 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.995 -17.252 5.983 1.00 0.00 C ATOM 0 H THR A 88 -10.698 -18.915 3.251 1.00 0.00 H new ATOM 0 HA THR A 88 -11.174 -16.387 4.668 1.00 0.00 H new ATOM 0 HB THR A 88 -8.738 -15.851 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.318 -17.689 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.960 -17.184 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.611 -16.568 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.354 -18.272 6.121 1.00 0.00 H new ATOM 1312 N SER A 89 -10.287 -15.095 2.481 1.00 0.00 N ATOM 1313 CA SER A 89 -10.319 -14.415 1.191 1.00 0.00 C ATOM 1314 C SER A 89 -9.135 -13.463 1.049 1.00 0.00 C ATOM 1315 O SER A 89 -9.101 -12.400 1.669 1.00 0.00 O ATOM 1316 CB SER A 89 -11.631 -13.643 1.030 1.00 0.00 C ATOM 1317 OG SER A 89 -12.743 -14.522 1.035 1.00 0.00 O ATOM 0 H SER A 89 -10.005 -14.504 3.263 1.00 0.00 H new ATOM 0 HA SER A 89 -10.251 -15.170 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.732 -12.919 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.613 -13.079 0.097 1.00 0.00 H new ATOM 0 HG SER A 89 -13.569 -14.005 0.932 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.166 -13.852 0.228 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.981 -13.034 0.002 1.00 0.00 C ATOM 1325 C ALA A 90 -7.270 -11.911 -0.988 1.00 0.00 C ATOM 1326 O ALA A 90 -8.180 -12.015 -1.811 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.831 -13.897 -0.496 1.00 0.00 C ATOM 0 H ALA A 90 -8.178 -14.729 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.696 -12.581 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.953 -13.273 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.600 -14.660 0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.115 -14.377 -1.432 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.490 -10.839 -0.904 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.664 -9.695 -1.792 1.00 0.00 C ATOM 1335 C PHE A 91 -5.384 -9.415 -2.574 1.00 0.00 C ATOM 1336 O PHE A 91 -4.312 -9.917 -2.234 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.067 -8.456 -0.990 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.092 -8.102 0.096 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.035 -8.844 1.264 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.231 -7.026 -0.052 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.139 -8.519 2.265 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.332 -6.696 0.945 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.286 -7.445 2.105 1.00 0.00 C ATOM 0 H PHE A 91 -5.731 -10.738 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.457 -9.934 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.165 -7.609 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.048 -8.624 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.698 -9.686 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.263 -6.438 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.106 -9.105 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.667 -5.855 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.584 -7.191 2.885 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.503 -8.609 -3.624 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.357 -8.262 -4.456 1.00 0.00 C ATOM 1355 C PHE A 92 -3.785 -6.906 -4.055 1.00 0.00 C ATOM 1356 O PHE A 92 -4.460 -6.099 -3.415 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.759 -8.242 -5.932 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.771 -9.603 -6.569 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.595 -10.179 -7.023 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.956 -10.305 -6.712 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.603 -11.430 -7.610 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.970 -11.557 -7.298 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.792 -12.121 -7.747 1.00 0.00 C ATOM 0 H PHE A 92 -6.382 -8.184 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.588 -9.020 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.750 -7.798 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.069 -7.600 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.663 -9.645 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.880 -9.869 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.680 -11.868 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.901 -12.094 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.800 -13.100 -8.204 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.535 -6.663 -4.435 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.870 -5.404 -4.115 1.00 0.00 C ATOM 1375 C LEU A 93 -0.632 -5.206 -4.985 1.00 0.00 C ATOM 1376 O LEU A 93 0.376 -5.890 -4.811 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.478 -5.373 -2.636 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.389 -3.988 -1.995 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.793 -4.084 -0.598 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.565 -3.049 -2.864 1.00 0.00 C ATOM 0 H LEU A 93 -1.962 -7.320 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.568 -4.591 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.202 -5.965 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.512 -5.865 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.397 -3.582 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.737 -3.089 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.422 -4.721 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.208 -4.511 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.513 -2.068 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.442 -3.450 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.033 -2.955 -3.844 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.717 -4.265 -5.919 1.00 0.00 N ATOM 1393 CA GLU A 94 0.397 -3.977 -6.815 1.00 0.00 C ATOM 1394 C GLU A 94 1.014 -2.618 -6.496 1.00 0.00 C ATOM 1395 O GLU A 94 0.305 -1.625 -6.326 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.070 -4.008 -8.272 1.00 0.00 C ATOM 1397 CG GLU A 94 1.069 -3.965 -9.277 1.00 0.00 C ATOM 1398 CD GLU A 94 0.580 -3.920 -10.711 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.599 -3.566 -10.925 1.00 0.00 O ATOM 1400 OE2 GLU A 94 1.375 -4.239 -11.620 1.00 0.00 O ATOM 0 H GLU A 94 -1.544 -3.689 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 94 1.156 -4.745 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.656 -4.912 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.733 -3.161 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.689 -3.090 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.702 -4.841 -9.140 1.00 0.00 H new ATOM 1407 N THR A 95 2.341 -2.581 -6.415 1.00 0.00 N ATOM 1408 CA THR A 95 3.054 -1.346 -6.115 1.00 0.00 C ATOM 1409 C THR A 95 4.225 -1.142 -7.069 1.00 0.00 C ATOM 1410 O THR A 95 4.795 -2.104 -7.585 1.00 0.00 O ATOM 1411 CB THR A 95 3.579 -1.339 -4.667 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.358 -2.515 -4.422 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.428 -1.271 -3.674 1.00 0.00 C ATOM 0 H THR A 95 2.943 -3.393 -6.553 1.00 0.00 H new ATOM 0 HA THR A 95 2.341 -0.531 -6.240 1.00 0.00 H new ATOM 0 HB THR A 95 4.204 -0.456 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.260 -3.135 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.823 -1.267 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.855 -0.360 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.780 -2.137 -3.808 1.00 0.00 H new ATOM 1421 N LYS A 96 4.581 0.117 -7.300 1.00 0.00 N ATOM 1422 CA LYS A 96 5.687 0.449 -8.191 1.00 0.00 C ATOM 1423 C LYS A 96 6.855 -0.511 -7.990 1.00 0.00 C ATOM 1424 O LYS A 96 7.628 -0.763 -8.913 1.00 0.00 O ATOM 1425 CB LYS A 96 6.148 1.888 -7.951 1.00 0.00 C ATOM 1426 CG LYS A 96 5.403 2.914 -8.788 1.00 0.00 C ATOM 1427 CD LYS A 96 6.246 4.155 -9.028 1.00 0.00 C ATOM 1428 CE LYS A 96 5.696 4.988 -10.177 1.00 0.00 C ATOM 1429 NZ LYS A 96 6.636 6.073 -10.574 1.00 0.00 N ATOM 0 H LYS A 96 4.119 0.925 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 96 5.334 0.354 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.020 2.130 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.214 1.960 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.124 2.472 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.478 3.193 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.274 4.758 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.273 3.862 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.503 4.343 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.741 5.424 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.226 6.618 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.800 6.704 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.539 5.656 -10.877 1.00 0.00 H new ATOM 1443 N GLU A 97 6.975 -1.043 -6.777 1.00 0.00 N ATOM 1444 CA GLU A 97 8.050 -1.976 -6.457 1.00 0.00 C ATOM 1445 C GLU A 97 7.780 -3.347 -7.069 1.00 0.00 C ATOM 1446 O GLU A 97 8.445 -3.755 -8.022 1.00 0.00 O ATOM 1447 CB GLU A 97 8.208 -2.104 -4.940 1.00 0.00 C ATOM 1448 CG GLU A 97 8.554 -0.795 -4.251 1.00 0.00 C ATOM 1449 CD GLU A 97 10.035 -0.477 -4.313 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.562 -0.323 -5.435 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.668 -0.384 -3.241 1.00 0.00 O ATOM 0 H GLU A 97 6.343 -0.844 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 97 8.975 -1.585 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.281 -2.493 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.987 -2.835 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.992 0.015 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.240 -0.843 -3.208 1.00 0.00 H new ATOM 1458 N ARG A 98 6.801 -4.054 -6.515 1.00 0.00 N ATOM 1459 CA ARG A 98 6.444 -5.380 -7.004 1.00 0.00 C ATOM 1460 C ARG A 98 5.022 -5.748 -6.591 1.00 0.00 C ATOM 1461 O ARG A 98 4.349 -4.986 -5.896 1.00 0.00 O ATOM 1462 CB ARG A 98 7.427 -6.425 -6.473 1.00 0.00 C ATOM 1463 CG ARG A 98 7.412 -6.561 -4.959 1.00 0.00 C ATOM 1464 CD ARG A 98 7.908 -7.929 -4.517 1.00 0.00 C ATOM 1465 NE ARG A 98 7.089 -9.010 -5.061 1.00 0.00 N ATOM 1466 CZ ARG A 98 7.463 -10.284 -5.064 1.00 0.00 C ATOM 1467 NH1 ARG A 98 8.635 -10.636 -4.554 1.00 0.00 N ATOM 1468 NH2 ARG A 98 6.663 -11.210 -5.577 1.00 0.00 N ATOM 0 H ARG A 98 6.240 -3.730 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 98 6.495 -5.363 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.192 -7.392 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.434 -6.161 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.038 -5.786 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.399 -6.403 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.942 -8.061 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.902 -7.982 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 98 6.181 -8.773 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.252 -9.927 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.919 -11.616 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.760 -10.943 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.951 -12.188 -5.579 1.00 0.00 H new ATOM 1482 N LEU A 99 4.570 -6.920 -7.025 1.00 0.00 N ATOM 1483 CA LEU A 99 3.227 -7.389 -6.701 1.00 0.00 C ATOM 1484 C LEU A 99 3.227 -8.184 -5.399 1.00 0.00 C ATOM 1485 O LEU A 99 3.983 -9.144 -5.246 1.00 0.00 O ATOM 1486 CB LEU A 99 2.678 -8.251 -7.838 1.00 0.00 C ATOM 1487 CG LEU A 99 1.232 -8.724 -7.685 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.271 -7.554 -7.819 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.912 -9.801 -8.712 1.00 0.00 C ATOM 0 H LEU A 99 5.113 -7.562 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 99 2.586 -6.517 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.758 -7.686 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.317 -9.128 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 99 1.113 -9.152 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.753 -7.910 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.485 -6.817 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.391 -7.095 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.121 -10.126 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.048 -9.399 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.579 -10.651 -8.568 1.00 0.00 H new ATOM 1501 N TYR A 100 2.374 -7.780 -4.465 1.00 0.00 N ATOM 1502 CA TYR A 100 2.275 -8.455 -3.176 1.00 0.00 C ATOM 1503 C TYR A 100 0.929 -9.158 -3.030 1.00 0.00 C ATOM 1504 O TYR A 100 -0.125 -8.556 -3.239 1.00 0.00 O ATOM 1505 CB TYR A 100 2.466 -7.452 -2.036 1.00 0.00 C ATOM 1506 CG TYR A 100 3.799 -6.740 -2.073 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.983 -7.428 -1.842 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.874 -5.378 -2.338 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.203 -6.781 -1.874 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.089 -4.723 -2.373 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.251 -5.428 -2.140 1.00 0.00 C ATOM 1512 OH TYR A 100 7.465 -4.780 -2.174 1.00 0.00 O ATOM 0 H TYR A 100 1.741 -6.988 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 100 3.063 -9.206 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.667 -6.712 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.369 -7.974 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.949 -8.487 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.966 -4.822 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.114 -7.331 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.129 -3.664 -2.582 1.00 0.00 H new ATOM 0 HH TYR A 100 7.324 -3.831 -2.375 1.00 0.00 H new ATOM 1522 N LEU A 101 0.973 -10.436 -2.670 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.242 -11.223 -2.494 1.00 0.00 C ATOM 1524 C LEU A 101 -0.462 -11.566 -1.024 1.00 0.00 C ATOM 1525 O LEU A 101 0.079 -12.550 -0.517 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.165 -12.507 -3.323 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.324 -13.490 -3.147 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.614 -12.895 -3.689 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.012 -14.810 -3.836 1.00 0.00 C ATOM 0 H LEU A 101 1.837 -10.949 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.086 -10.625 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.104 -12.233 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.763 -13.022 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.456 -13.681 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.428 -13.608 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.845 -11.976 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.495 -12.674 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.847 -15.497 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.854 -14.636 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.111 -15.243 -3.401 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.260 -10.750 -0.345 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.554 -10.967 1.067 1.00 0.00 C ATOM 1543 C LEU A 102 -2.897 -11.670 1.242 1.00 0.00 C ATOM 1544 O LEU A 102 -3.761 -11.603 0.369 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.562 -9.634 1.818 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.215 -8.917 1.925 1.00 0.00 C ATOM 1547 CD1 LEU A 102 -0.009 -7.987 0.740 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.126 -8.144 3.233 1.00 0.00 C ATOM 0 H LEU A 102 -1.715 -9.932 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.773 -11.605 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.269 -8.966 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.939 -9.809 2.826 1.00 0.00 H new ATOM 0 HG LEU A 102 0.576 -9.667 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.954 -7.486 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.029 -8.565 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.805 -7.242 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.839 -7.640 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.925 -7.404 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.228 -8.834 4.071 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.064 -12.340 2.377 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.303 -13.052 2.668 1.00 0.00 C ATOM 1562 C ALA A 103 -5.061 -12.388 3.813 1.00 0.00 C ATOM 1563 O ALA A 103 -4.456 -11.851 4.741 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.010 -14.507 3.000 1.00 0.00 C ATOM 0 H ALA A 103 -2.358 -12.405 3.110 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.933 -13.014 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.944 -15.026 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.518 -14.982 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.358 -14.557 3.872 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.387 -12.427 3.740 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.227 -11.831 4.771 1.00 0.00 C ATOM 1572 C ALA A 104 -8.509 -12.632 4.966 1.00 0.00 C ATOM 1573 O ALA A 104 -8.995 -13.304 4.055 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.553 -10.387 4.416 1.00 0.00 C ATOM 0 H ALA A 104 -6.903 -12.865 2.977 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.674 -11.847 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.181 -9.954 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.629 -9.815 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.083 -10.357 3.464 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.072 -12.563 6.181 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.306 -13.276 6.524 1.00 0.00 C ATOM 1582 C PRO A 105 -11.527 -12.696 5.818 1.00 0.00 C ATOM 1583 O PRO A 105 -11.895 -11.543 6.041 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.421 -13.079 8.038 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.671 -11.822 8.314 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.548 -11.781 7.314 1.00 0.00 C ATOM 0 HA PRO A 105 -10.270 -14.321 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.462 -12.995 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.994 -13.922 8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.318 -10.951 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.286 -11.813 9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.308 -10.759 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.635 -12.219 7.717 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.150 -13.503 4.965 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.331 -13.070 4.228 1.00 0.00 C ATOM 1596 C ALA A 106 -14.210 -12.163 5.083 1.00 0.00 C ATOM 1597 O ALA A 106 -14.897 -11.283 4.566 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.124 -14.276 3.747 1.00 0.00 C ATOM 0 H ALA A 106 -11.857 -14.460 4.767 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.999 -12.498 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.003 -13.938 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.500 -14.885 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.438 -14.871 4.605 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.182 -12.384 6.393 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.975 -11.585 7.319 1.00 0.00 C ATOM 1606 C ALA A 107 -14.544 -10.122 7.291 1.00 0.00 C ATOM 1607 O ALA A 107 -15.378 -9.223 7.191 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.861 -12.144 8.730 1.00 0.00 C ATOM 0 H ALA A 107 -13.619 -13.109 6.837 1.00 0.00 H new ATOM 0 HA ALA A 107 -16.017 -11.635 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.458 -11.538 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.225 -13.171 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.818 -12.124 9.046 1.00 0.00 H new ATOM 1614 N GLU A 108 -13.238 -9.893 7.380 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.698 -8.539 7.366 1.00 0.00 C ATOM 1616 C GLU A 108 -12.498 -8.047 5.935 1.00 0.00 C ATOM 1617 O GLU A 108 -12.611 -6.854 5.656 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.370 -8.487 8.124 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.402 -9.216 9.457 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.897 -8.338 10.590 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -11.115 -7.491 11.069 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -13.067 -8.498 10.998 1.00 0.00 O ATOM 0 H GLU A 108 -12.535 -10.627 7.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.416 -7.885 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.588 -8.921 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.100 -7.445 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.046 -10.091 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.401 -9.578 9.693 1.00 0.00 H new ATOM 1629 N ARG A 109 -12.201 -8.977 5.032 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.984 -8.639 3.631 1.00 0.00 C ATOM 1631 C ARG A 109 -12.890 -7.489 3.202 1.00 0.00 C ATOM 1632 O ARG A 109 -12.420 -6.388 2.917 1.00 0.00 O ATOM 1633 CB ARG A 109 -12.237 -9.860 2.745 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.591 -9.761 1.373 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.360 -10.565 0.336 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.454 -9.796 -0.252 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.158 -10.204 -1.302 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.884 -11.368 -1.876 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.138 -9.448 -1.779 1.00 0.00 N ATOM 0 H ARG A 109 -12.105 -9.970 5.246 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.947 -8.323 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.861 -10.749 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -13.312 -9.993 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.546 -8.716 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.564 -10.122 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.679 -10.886 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.759 -11.467 0.800 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.690 -8.896 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.131 -11.952 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.426 -11.679 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.351 -8.553 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.678 -9.762 -2.585 1.00 0.00 H new ATOM 1653 N GLY A 110 -14.192 -7.753 3.158 1.00 0.00 N ATOM 1654 CA GLY A 110 -15.144 -6.731 2.763 1.00 0.00 C ATOM 1655 C GLY A 110 -14.762 -5.355 3.272 1.00 0.00 C ATOM 1656 O GLY A 110 -14.833 -4.371 2.535 1.00 0.00 O ATOM 0 H GLY A 110 -14.605 -8.657 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.215 -6.706 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.132 -6.994 3.141 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.357 -5.285 4.535 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.963 -4.019 5.143 1.00 0.00 C ATOM 1662 C ASP A 111 -12.584 -3.587 4.653 1.00 0.00 C ATOM 1663 O ASP A 111 -12.433 -2.520 4.058 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.961 -4.140 6.668 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.832 -2.795 7.354 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -12.884 -2.051 7.028 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -14.678 -2.486 8.219 1.00 0.00 O ATOM 0 H ASP A 111 -14.293 -6.090 5.158 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.688 -3.261 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.882 -4.623 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.137 -4.783 6.978 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.583 -4.422 4.907 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.217 -4.125 4.492 1.00 0.00 C ATOM 1674 C TRP A 112 -10.190 -3.541 3.084 1.00 0.00 C ATOM 1675 O TRP A 112 -9.950 -2.348 2.901 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.359 -5.390 4.550 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.764 -5.643 5.902 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.953 -6.743 6.688 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.884 -4.776 6.627 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.245 -6.613 7.858 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.580 -5.415 7.845 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.322 -3.524 6.365 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.740 -4.842 8.797 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.490 -2.956 7.311 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.204 -3.616 8.514 1.00 0.00 C ATOM 0 H TRP A 112 -11.691 -5.309 5.398 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.808 -3.385 5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.968 -6.247 4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.556 -5.310 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.569 -7.591 6.428 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.219 -7.297 8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.534 -3.009 5.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.520 -5.348 9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.053 -1.987 7.120 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.547 -3.147 9.232 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.437 -4.390 2.091 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.443 -3.957 0.699 1.00 0.00 C ATOM 1698 C VAL A 113 -11.160 -2.621 0.542 1.00 0.00 C ATOM 1699 O VAL A 113 -10.696 -1.739 -0.181 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.119 -5.000 -0.210 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.224 -4.479 -1.635 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.356 -6.316 -0.170 1.00 0.00 C ATOM 0 H VAL A 113 -10.636 -5.381 2.225 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.401 -3.844 0.398 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.128 -5.180 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.704 -5.230 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.817 -3.564 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.226 -4.269 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.848 -7.042 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.335 -6.155 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.338 -6.695 0.852 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.292 -2.479 1.223 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.073 -1.250 1.158 1.00 0.00 C ATOM 1714 C GLN A 114 -12.248 -0.055 1.623 1.00 0.00 C ATOM 1715 O GLN A 114 -12.049 0.903 0.876 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.335 -1.377 2.014 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.322 -0.238 1.815 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.751 -0.644 2.116 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.128 -1.804 1.945 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.556 0.311 2.567 1.00 0.00 N ATOM 0 H GLN A 114 -12.689 -3.200 1.826 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.361 -1.087 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.829 -2.320 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.049 -1.419 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.042 0.596 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.258 0.117 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.202 1.259 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.529 0.097 2.787 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.769 -0.118 2.861 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.964 0.957 3.425 1.00 0.00 C ATOM 1731 C ALA A 115 -9.780 1.288 2.522 1.00 0.00 C ATOM 1732 O ALA A 115 -9.540 2.451 2.198 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.479 0.580 4.817 1.00 0.00 C ATOM 0 H ALA A 115 -11.925 -0.903 3.493 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.591 1.846 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.879 1.393 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.337 0.401 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.873 -0.324 4.759 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.043 0.258 2.120 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.884 0.440 1.255 1.00 0.00 C ATOM 1741 C ILE A 116 -8.273 1.135 -0.046 1.00 0.00 C ATOM 1742 O ILE A 116 -7.797 2.232 -0.342 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.213 -0.906 0.923 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.621 -1.531 2.188 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.135 -0.713 -0.134 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.241 -2.986 2.022 1.00 0.00 C ATOM 0 H ILE A 116 -9.228 -0.711 2.379 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.177 1.065 1.801 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.968 -1.584 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.738 -0.965 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.343 -1.443 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.670 -1.673 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.583 -0.306 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.379 -0.022 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.828 -3.363 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.125 -3.565 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.495 -3.079 1.233 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.143 0.492 -0.817 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.598 1.049 -2.086 1.00 0.00 C ATOM 1760 C CYS A 117 -10.213 2.430 -1.884 1.00 0.00 C ATOM 1761 O CYS A 117 -10.389 3.188 -2.838 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.616 0.114 -2.741 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.025 0.549 -4.448 1.00 0.00 S ATOM 0 H CYS A 117 -9.547 -0.415 -0.586 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.733 1.149 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.225 -0.903 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.530 0.116 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.959 1.839 -4.595 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.540 2.749 -0.637 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.137 4.039 -0.309 1.00 0.00 C ATOM 1771 C LEU A 118 -10.061 5.085 -0.038 1.00 0.00 C ATOM 1772 O LEU A 118 -10.150 6.220 -0.510 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.052 3.905 0.910 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.502 3.517 0.621 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.275 3.335 1.919 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.170 4.565 -0.257 1.00 0.00 C ATOM 0 H LEU A 118 -10.402 2.132 0.164 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.727 4.366 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.624 3.160 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.051 4.854 1.446 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.504 2.568 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.305 3.059 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.810 2.548 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.264 4.268 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.202 4.272 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.157 5.529 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.631 4.646 -1.201 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.044 4.697 0.722 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.947 5.600 1.054 1.00 0.00 C ATOM 1790 C LEU A 119 -6.846 5.530 0.001 1.00 0.00 C ATOM 1791 O LEU A 119 -6.506 6.534 -0.624 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.376 5.256 2.431 1.00 0.00 C ATOM 1793 CG LEU A 119 -8.117 5.845 3.631 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.682 5.158 4.916 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.880 7.346 3.721 1.00 0.00 C ATOM 0 H LEU A 119 -8.955 3.762 1.121 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.339 6.617 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.361 4.171 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.340 5.594 2.467 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.185 5.673 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.220 5.590 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.903 4.093 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.610 5.298 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.415 7.748 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.813 7.540 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.241 7.827 2.812 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.293 4.336 -0.191 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.234 4.134 -1.170 1.00 0.00 C ATOM 1809 C ALA A 120 -5.547 4.857 -2.476 1.00 0.00 C ATOM 1810 O ALA A 120 -4.643 5.306 -3.181 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.027 2.648 -1.425 1.00 0.00 C ATOM 0 H ALA A 120 -6.562 3.495 0.319 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.314 4.554 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.233 2.512 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.749 2.154 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.951 2.212 -1.805 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.833 4.968 -2.791 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.266 5.636 -4.013 1.00 0.00 C ATOM 1819 C PHE A 121 -8.025 6.920 -3.692 1.00 0.00 C ATOM 1820 O PHE A 121 -9.048 7.219 -4.307 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.149 4.703 -4.845 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.525 3.361 -5.104 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.297 2.475 -4.064 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.167 2.986 -6.389 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.723 1.240 -4.299 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.594 1.752 -6.631 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.371 0.878 -5.585 1.00 0.00 C ATOM 0 H PHE A 121 -7.594 4.604 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.378 5.894 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.099 4.560 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.372 5.181 -5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.571 2.753 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.338 3.666 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.550 0.559 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.321 1.471 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.922 -0.086 -5.772 1.00 0.00 H new