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 Set 1.1: A 36 SER OG : rot 173:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.00795 (180deg=-0.459) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.93) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.364) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 15:sc= 0.168 USER MOD Single : A 95 THR OG1 : rot -21:sc= 0.851 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= -1.15 K(o=-1.1,f=-3.2!) USER MOD Single : A 117 CYS SG : rot -23:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.780 3.851 11.623 1.00 0.00 N ATOM 120 CA VAL A 13 -9.099 3.580 11.062 1.00 0.00 C ATOM 121 C VAL A 13 -9.490 2.120 11.257 1.00 0.00 C ATOM 122 O VAL A 13 -10.632 1.811 11.597 1.00 0.00 O ATOM 123 CB VAL A 13 -9.150 3.917 9.560 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.517 3.582 8.984 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.811 5.382 9.331 1.00 0.00 C ATOM 0 HA VAL A 13 -9.806 4.217 11.594 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.406 3.310 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.534 3.827 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.716 2.518 9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.282 4.160 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.852 5.602 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.530 6.009 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.808 5.586 9.706 1.00 0.00 H new ATOM 135 N LYS A 14 -8.533 1.223 11.041 1.00 0.00 N ATOM 136 CA LYS A 14 -8.775 -0.207 11.194 1.00 0.00 C ATOM 137 C LYS A 14 -7.513 -0.926 11.658 1.00 0.00 C ATOM 138 O LYS A 14 -6.432 -0.718 11.106 1.00 0.00 O ATOM 139 CB LYS A 14 -9.262 -0.808 9.874 1.00 0.00 C ATOM 140 CG LYS A 14 -9.349 -2.324 9.891 1.00 0.00 C ATOM 141 CD LYS A 14 -10.220 -2.845 8.760 1.00 0.00 C ATOM 142 CE LYS A 14 -10.775 -4.225 9.075 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.813 -4.176 10.141 1.00 0.00 N ATOM 0 H LYS A 14 -7.582 1.462 10.759 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.547 -0.340 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.245 -0.399 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.589 -0.500 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.348 -2.748 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.755 -2.655 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.043 -2.152 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.637 -2.887 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.203 -4.659 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.962 -4.880 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.375 -5.051 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.353 -4.083 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.437 -3.360 9.981 1.00 0.00 H new ATOM 157 N GLN A 15 -7.657 -1.771 12.673 1.00 0.00 N ATOM 158 CA GLN A 15 -6.527 -2.521 13.209 1.00 0.00 C ATOM 159 C GLN A 15 -6.752 -4.022 13.064 1.00 0.00 C ATOM 160 O GLN A 15 -7.832 -4.530 13.361 1.00 0.00 O ATOM 161 CB GLN A 15 -6.305 -2.167 14.680 1.00 0.00 C ATOM 162 CG GLN A 15 -5.863 -0.729 14.900 1.00 0.00 C ATOM 163 CD GLN A 15 -6.280 -0.190 16.254 1.00 0.00 C ATOM 164 OE1 GLN A 15 -7.461 -0.203 16.603 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.311 0.287 17.026 1.00 0.00 N ATOM 0 H GLN A 15 -8.545 -1.954 13.141 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.639 -2.248 12.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.229 -2.343 15.231 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.553 -2.837 15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.779 -0.668 14.807 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.286 -0.099 14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.346 0.278 16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.532 0.662 17.948 1.00 0.00 H new ATOM 174 N GLY A 16 -5.723 -4.728 12.603 1.00 0.00 N ATOM 175 CA GLY A 16 -5.829 -6.164 12.425 1.00 0.00 C ATOM 176 C GLY A 16 -4.507 -6.801 12.044 1.00 0.00 C ATOM 177 O GLY A 16 -3.471 -6.135 12.028 1.00 0.00 O ATOM 0 H GLY A 16 -4.818 -4.330 12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.193 -6.615 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.568 -6.378 11.652 1.00 0.00 H new ATOM 181 N PHE A 17 -4.541 -8.093 11.738 1.00 0.00 N ATOM 182 CA PHE A 17 -3.336 -8.821 11.358 1.00 0.00 C ATOM 183 C PHE A 17 -3.414 -9.282 9.906 1.00 0.00 C ATOM 184 O PHE A 17 -4.367 -9.954 9.506 1.00 0.00 O ATOM 185 CB PHE A 17 -3.130 -10.026 12.278 1.00 0.00 C ATOM 186 CG PHE A 17 -2.893 -9.651 13.713 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.634 -9.265 14.143 1.00 0.00 C ATOM 188 CD2 PHE A 17 -3.929 -9.686 14.632 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.412 -8.919 15.463 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.714 -9.341 15.953 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.454 -8.959 16.369 1.00 0.00 C ATOM 0 H PHE A 17 -5.390 -8.658 11.746 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.487 -8.146 11.461 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.006 -10.672 12.219 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.281 -10.607 11.918 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.816 -9.234 13.439 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.916 -9.986 14.313 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.426 -8.618 15.785 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.531 -9.370 16.659 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.283 -8.692 17.401 1.00 0.00 H new ATOM 201 N LEU A 18 -2.407 -8.918 9.120 1.00 0.00 N ATOM 202 CA LEU A 18 -2.361 -9.293 7.711 1.00 0.00 C ATOM 203 C LEU A 18 -1.253 -10.310 7.455 1.00 0.00 C ATOM 204 O LEU A 18 -0.214 -10.291 8.115 1.00 0.00 O ATOM 205 CB LEU A 18 -2.144 -8.055 6.840 1.00 0.00 C ATOM 206 CG LEU A 18 -3.365 -7.157 6.633 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.959 -5.849 5.972 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.418 -7.873 5.801 1.00 0.00 C ATOM 0 H LEU A 18 -1.611 -8.363 9.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.316 -9.750 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.349 -7.457 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.788 -8.381 5.863 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.795 -6.929 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.840 -5.223 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.241 -5.329 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.505 -6.057 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.279 -7.219 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.000 -8.131 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.731 -8.782 6.314 1.00 0.00 H new ATOM 220 N TYR A 19 -1.482 -11.195 6.491 1.00 0.00 N ATOM 221 CA TYR A 19 -0.503 -12.220 6.147 1.00 0.00 C ATOM 222 C TYR A 19 0.120 -11.942 4.783 1.00 0.00 C ATOM 223 O TYR A 19 -0.584 -11.683 3.806 1.00 0.00 O ATOM 224 CB TYR A 19 -1.159 -13.602 6.148 1.00 0.00 C ATOM 225 CG TYR A 19 -2.231 -13.763 7.203 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.929 -13.636 8.553 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.545 -14.041 6.849 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.904 -13.783 9.520 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.528 -14.188 7.810 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.202 -14.059 9.143 1.00 0.00 C ATOM 231 OH TYR A 19 -5.177 -14.205 10.104 1.00 0.00 O ATOM 0 H TYR A 19 -2.336 -11.223 5.934 1.00 0.00 H new ATOM 0 HA TYR A 19 0.287 -12.199 6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.596 -13.788 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.391 -14.359 6.304 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.914 -13.419 8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.803 -14.144 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.652 -13.682 10.565 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.545 -14.403 7.518 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.036 -14.395 9.672 1.00 0.00 H new ATOM 241 N LEU A 20 1.446 -11.998 4.724 1.00 0.00 N ATOM 242 CA LEU A 20 2.167 -11.753 3.479 1.00 0.00 C ATOM 243 C LEU A 20 2.910 -13.006 3.025 1.00 0.00 C ATOM 244 O LEU A 20 3.909 -13.398 3.626 1.00 0.00 O ATOM 245 CB LEU A 20 3.154 -10.598 3.658 1.00 0.00 C ATOM 246 CG LEU A 20 4.019 -10.260 2.443 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.147 -9.984 1.228 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.915 -9.067 2.741 1.00 0.00 C ATOM 0 H LEU A 20 2.044 -12.211 5.523 1.00 0.00 H new ATOM 0 HA LEU A 20 1.440 -11.486 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.593 -9.707 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.813 -10.836 4.493 1.00 0.00 H new ATOM 0 HG LEU A 20 4.653 -11.119 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.779 -9.745 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.549 -10.866 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.487 -9.142 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.523 -8.841 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.299 -8.202 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.565 -9.302 3.584 1.00 0.00 H new ATOM 260 N GLN A 21 2.414 -13.627 1.959 1.00 0.00 N ATOM 261 CA GLN A 21 3.032 -14.834 1.423 1.00 0.00 C ATOM 262 C GLN A 21 4.367 -14.513 0.758 1.00 0.00 C ATOM 263 O GLN A 21 4.426 -13.727 -0.187 1.00 0.00 O ATOM 264 CB GLN A 21 2.097 -15.508 0.418 1.00 0.00 C ATOM 265 CG GLN A 21 2.378 -16.989 0.225 1.00 0.00 C ATOM 266 CD GLN A 21 1.499 -17.616 -0.841 1.00 0.00 C ATOM 267 OE1 GLN A 21 1.573 -17.252 -2.015 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.661 -18.562 -0.436 1.00 0.00 N ATOM 0 H GLN A 21 1.587 -13.314 1.450 1.00 0.00 H new ATOM 0 HA GLN A 21 3.215 -15.517 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.067 -15.383 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.184 -15.002 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.425 -17.124 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.225 -17.510 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.633 -18.832 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.045 -19.019 -1.108 1.00 0.00 H new ATOM 413 N TRP A 30 2.531 -18.890 4.689 1.00 0.00 N ATOM 414 CA TRP A 30 1.791 -17.778 5.275 1.00 0.00 C ATOM 415 C TRP A 30 2.401 -17.361 6.609 1.00 0.00 C ATOM 416 O TRP A 30 2.681 -18.202 7.463 1.00 0.00 O ATOM 417 CB TRP A 30 0.323 -18.161 5.469 1.00 0.00 C ATOM 418 CG TRP A 30 -0.447 -18.233 4.185 1.00 0.00 C ATOM 419 CD1 TRP A 30 -1.045 -19.337 3.648 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.699 -17.156 3.275 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.654 -19.011 2.460 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.457 -17.679 2.210 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.360 -15.800 3.259 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.879 -16.893 1.140 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.779 -15.022 2.197 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.533 -15.569 1.150 1.00 0.00 C ATOM 0 HA TRP A 30 1.851 -16.933 4.589 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.270 -19.127 5.971 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.151 -17.434 6.128 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.040 -20.322 4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.169 -19.656 1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.219 -15.368 4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.459 -17.314 0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.521 -13.974 2.173 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.847 -14.933 0.335 1.00 0.00 H new ATOM 437 N ARG A 31 2.602 -16.059 6.781 1.00 0.00 N ATOM 438 CA ARG A 31 3.180 -15.531 8.011 1.00 0.00 C ATOM 439 C ARG A 31 2.361 -14.356 8.536 1.00 0.00 C ATOM 440 O ARG A 31 1.780 -13.596 7.761 1.00 0.00 O ATOM 441 CB ARG A 31 4.627 -15.094 7.774 1.00 0.00 C ATOM 442 CG ARG A 31 5.640 -16.209 7.971 1.00 0.00 C ATOM 443 CD ARG A 31 5.835 -17.016 6.698 1.00 0.00 C ATOM 444 NE ARG A 31 7.085 -17.772 6.714 1.00 0.00 N ATOM 445 CZ ARG A 31 7.248 -18.908 7.382 1.00 0.00 C ATOM 446 NH1 ARG A 31 6.246 -19.418 8.084 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.416 -19.537 7.348 1.00 0.00 N ATOM 0 H ARG A 31 2.373 -15.350 6.084 1.00 0.00 H new ATOM 0 HA ARG A 31 3.166 -16.324 8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.719 -14.706 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.866 -14.274 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.594 -15.784 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.306 -16.868 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.998 -17.703 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.828 -16.345 5.839 1.00 0.00 H new ATOM 0 HE ARG A 31 7.876 -17.407 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.347 -18.938 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.374 -20.291 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.189 -19.148 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.540 -20.410 7.861 1.00 0.00 H new ATOM 461 N ARG A 32 2.319 -14.213 9.857 1.00 0.00 N ATOM 462 CA ARG A 32 1.570 -13.132 10.485 1.00 0.00 C ATOM 463 C ARG A 32 2.444 -11.893 10.657 1.00 0.00 C ATOM 464 O ARG A 32 3.630 -11.996 10.973 1.00 0.00 O ATOM 465 CB ARG A 32 1.029 -13.580 11.844 1.00 0.00 C ATOM 466 CG ARG A 32 -0.096 -14.597 11.747 1.00 0.00 C ATOM 467 CD ARG A 32 -0.111 -15.528 12.949 1.00 0.00 C ATOM 468 NE ARG A 32 1.006 -16.469 12.926 1.00 0.00 N ATOM 469 CZ ARG A 32 1.178 -17.427 13.830 1.00 0.00 C ATOM 470 NH1 ARG A 32 0.310 -17.570 14.823 1.00 0.00 N ATOM 471 NH2 ARG A 32 2.219 -18.244 13.742 1.00 0.00 N ATOM 0 H ARG A 32 2.795 -14.833 10.513 1.00 0.00 H new ATOM 0 HA ARG A 32 0.733 -12.878 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.845 -14.008 12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.672 -12.706 12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.052 -14.078 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.018 -15.182 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.070 -14.938 13.865 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.050 -16.081 12.968 1.00 0.00 H new ATOM 0 HE ARG A 32 1.691 -16.386 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.492 -16.944 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.444 -18.306 15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.888 -18.137 12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.350 -18.979 14.437 1.00 0.00 H new ATOM 485 N PHE A 33 1.852 -10.723 10.446 1.00 0.00 N ATOM 486 CA PHE A 33 2.576 -9.464 10.575 1.00 0.00 C ATOM 487 C PHE A 33 1.644 -8.343 11.025 1.00 0.00 C ATOM 488 O PHE A 33 0.787 -7.892 10.267 1.00 0.00 O ATOM 489 CB PHE A 33 3.236 -9.091 9.246 1.00 0.00 C ATOM 490 CG PHE A 33 4.094 -10.184 8.675 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.251 -10.584 9.323 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.744 -10.811 7.490 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.043 -11.590 8.801 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.531 -11.817 6.963 1.00 0.00 C ATOM 495 CZ PHE A 33 5.683 -12.206 7.619 1.00 0.00 C ATOM 0 H PHE A 33 0.871 -10.620 10.185 1.00 0.00 H new ATOM 0 HA PHE A 33 3.349 -9.596 11.332 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.461 -8.834 8.524 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.846 -8.199 9.390 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.538 -10.104 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.845 -10.510 6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.942 -11.893 9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.246 -12.299 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.301 -12.991 7.208 1.00 0.00 H new ATOM 505 N GLY A 34 1.818 -7.899 12.267 1.00 0.00 N ATOM 506 CA GLY A 34 0.985 -6.836 12.797 1.00 0.00 C ATOM 507 C GLY A 34 0.791 -5.703 11.809 1.00 0.00 C ATOM 508 O GLY A 34 1.749 -5.029 11.431 1.00 0.00 O ATOM 0 H GLY A 34 2.520 -8.257 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.013 -7.244 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.437 -6.445 13.709 1.00 0.00 H new ATOM 512 N ALA A 35 -0.452 -5.494 11.388 1.00 0.00 N ATOM 513 CA ALA A 35 -0.769 -4.435 10.437 1.00 0.00 C ATOM 514 C ALA A 35 -1.693 -3.395 11.062 1.00 0.00 C ATOM 515 O ALA A 35 -2.610 -3.735 11.810 1.00 0.00 O ATOM 516 CB ALA A 35 -1.401 -5.022 9.184 1.00 0.00 C ATOM 0 H ALA A 35 -1.256 -6.044 11.690 1.00 0.00 H new ATOM 0 HA ALA A 35 0.161 -3.937 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.632 -4.220 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.706 -5.721 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.319 -5.546 9.451 1.00 0.00 H new ATOM 522 N SER A 36 -1.446 -2.127 10.750 1.00 0.00 N ATOM 523 CA SER A 36 -2.254 -1.037 11.285 1.00 0.00 C ATOM 524 C SER A 36 -2.607 -0.035 10.190 1.00 0.00 C ATOM 525 O SER A 36 -1.732 0.459 9.477 1.00 0.00 O ATOM 526 CB SER A 36 -1.508 -0.329 12.418 1.00 0.00 C ATOM 527 OG SER A 36 -1.024 -1.260 13.370 1.00 0.00 O ATOM 0 H SER A 36 -0.693 -1.829 10.130 1.00 0.00 H new ATOM 0 HA SER A 36 -3.178 -1.461 11.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.675 0.243 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.173 0.383 12.907 1.00 0.00 H new ATOM 0 HG SER A 36 -0.457 -0.797 14.022 1.00 0.00 H new ATOM 533 N LEU A 37 -3.896 0.260 10.061 1.00 0.00 N ATOM 534 CA LEU A 37 -4.368 1.203 9.053 1.00 0.00 C ATOM 535 C LEU A 37 -4.443 2.616 9.622 1.00 0.00 C ATOM 536 O LEU A 37 -5.152 2.867 10.597 1.00 0.00 O ATOM 537 CB LEU A 37 -5.742 0.778 8.531 1.00 0.00 C ATOM 538 CG LEU A 37 -6.141 1.332 7.163 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.289 0.711 6.067 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.619 1.083 6.898 1.00 0.00 C ATOM 0 H LEU A 37 -4.633 -0.140 10.642 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.656 1.200 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.769 -0.311 8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.495 1.083 9.258 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.968 2.408 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.587 1.117 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.239 0.940 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.430 -0.370 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.886 1.484 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.817 0.011 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.214 1.576 7.667 1.00 0.00 H new ATOM 552 N TYR A 38 -3.709 3.536 9.006 1.00 0.00 N ATOM 553 CA TYR A 38 -3.692 4.925 9.451 1.00 0.00 C ATOM 554 C TYR A 38 -4.175 5.857 8.344 1.00 0.00 C ATOM 555 O TYR A 38 -4.075 5.539 7.160 1.00 0.00 O ATOM 556 CB TYR A 38 -2.282 5.324 9.891 1.00 0.00 C ATOM 557 CG TYR A 38 -1.689 4.401 10.931 1.00 0.00 C ATOM 558 CD1 TYR A 38 -2.189 4.371 12.227 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.628 3.561 10.619 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.650 3.531 13.182 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.083 2.716 11.567 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.597 2.705 12.847 1.00 0.00 C ATOM 563 OH TYR A 38 -0.057 1.866 13.794 1.00 0.00 O ATOM 0 H TYR A 38 -3.118 3.345 8.197 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.370 5.017 10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.629 5.341 9.018 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.308 6.338 10.290 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.014 5.016 12.492 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.222 3.568 9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.051 3.521 14.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.741 2.068 11.307 1.00 0.00 H new ATOM 0 HH TYR A 38 0.675 1.351 13.395 1.00 0.00 H new ATOM 573 N GLY A 39 -4.699 7.013 8.740 1.00 0.00 N ATOM 574 CA GLY A 39 -5.189 7.976 7.771 1.00 0.00 C ATOM 575 C GLY A 39 -6.648 8.325 7.988 1.00 0.00 C ATOM 576 O GLY A 39 -7.183 8.138 9.081 1.00 0.00 O ATOM 0 H GLY A 39 -4.793 7.300 9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.589 8.884 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.060 7.574 6.766 1.00 0.00 H new ATOM 650 N ALA A 46 -2.094 8.691 5.029 1.00 0.00 N ATOM 651 CA ALA A 46 -2.453 7.284 5.156 1.00 0.00 C ATOM 652 C ALA A 46 -1.318 6.383 4.683 1.00 0.00 C ATOM 653 O ALA A 46 -0.664 6.667 3.680 1.00 0.00 O ATOM 654 CB ALA A 46 -3.724 6.990 4.372 1.00 0.00 C ATOM 0 HA ALA A 46 -2.633 7.075 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.980 5.936 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.540 7.601 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.564 7.222 3.319 1.00 0.00 H new ATOM 660 N ARG A 47 -1.088 5.296 5.413 1.00 0.00 N ATOM 661 CA ARG A 47 -0.030 4.354 5.068 1.00 0.00 C ATOM 662 C ARG A 47 -0.201 3.042 5.828 1.00 0.00 C ATOM 663 O ARG A 47 -0.713 3.023 6.949 1.00 0.00 O ATOM 664 CB ARG A 47 1.341 4.959 5.377 1.00 0.00 C ATOM 665 CG ARG A 47 1.469 5.484 6.798 1.00 0.00 C ATOM 666 CD ARG A 47 2.887 5.944 7.096 1.00 0.00 C ATOM 667 NE ARG A 47 3.146 6.024 8.531 1.00 0.00 N ATOM 668 CZ ARG A 47 2.622 6.955 9.321 1.00 0.00 C ATOM 669 NH1 ARG A 47 1.815 7.879 8.818 1.00 0.00 N ATOM 670 NH2 ARG A 47 2.906 6.962 10.617 1.00 0.00 N ATOM 0 H ARG A 47 -1.620 5.046 6.247 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.096 4.147 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.109 4.204 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.535 5.773 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.778 6.314 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.183 4.703 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.596 5.254 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.054 6.921 6.642 1.00 0.00 H new ATOM 0 HE ARG A 47 3.763 5.327 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.595 7.876 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.414 8.592 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.527 6.253 11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.504 7.677 11.223 1.00 0.00 H new ATOM 684 N LEU A 48 0.229 1.947 5.212 1.00 0.00 N ATOM 685 CA LEU A 48 0.123 0.629 5.829 1.00 0.00 C ATOM 686 C LEU A 48 1.449 0.215 6.460 1.00 0.00 C ATOM 687 O LEU A 48 2.472 0.138 5.781 1.00 0.00 O ATOM 688 CB LEU A 48 -0.308 -0.409 4.792 1.00 0.00 C ATOM 689 CG LEU A 48 -1.092 -1.607 5.327 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.353 -1.144 6.040 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.438 -2.566 4.197 1.00 0.00 C ATOM 0 H LEU A 48 0.655 1.945 4.285 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.631 0.683 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.917 0.091 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.584 -0.780 4.287 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.465 -2.135 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.898 -2.010 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.082 -0.497 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.983 -0.592 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.996 -3.413 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.046 -2.049 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.521 -2.924 3.730 1.00 0.00 H new ATOM 703 N GLU A 49 1.421 -0.051 7.762 1.00 0.00 N ATOM 704 CA GLU A 49 2.621 -0.459 8.483 1.00 0.00 C ATOM 705 C GLU A 49 2.624 -1.966 8.727 1.00 0.00 C ATOM 706 O GLU A 49 1.580 -2.617 8.673 1.00 0.00 O ATOM 707 CB GLU A 49 2.718 0.284 9.817 1.00 0.00 C ATOM 708 CG GLU A 49 3.235 1.707 9.685 1.00 0.00 C ATOM 709 CD GLU A 49 2.161 2.679 9.239 1.00 0.00 C ATOM 710 OE1 GLU A 49 1.457 2.373 8.253 1.00 0.00 O ATOM 711 OE2 GLU A 49 2.023 3.745 9.874 1.00 0.00 O ATOM 0 H GLU A 49 0.582 0.009 8.338 1.00 0.00 H new ATOM 0 HA GLU A 49 3.486 -0.206 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.733 0.306 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.375 -0.272 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.639 2.033 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.057 1.726 8.969 1.00 0.00 H new ATOM 718 N LEU A 50 3.805 -2.513 8.993 1.00 0.00 N ATOM 719 CA LEU A 50 3.945 -3.943 9.245 1.00 0.00 C ATOM 720 C LEU A 50 5.005 -4.207 10.310 1.00 0.00 C ATOM 721 O LEU A 50 5.884 -3.378 10.542 1.00 0.00 O ATOM 722 CB LEU A 50 4.312 -4.675 7.952 1.00 0.00 C ATOM 723 CG LEU A 50 3.308 -4.553 6.805 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.897 -5.113 5.519 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.010 -5.266 7.154 1.00 0.00 C ATOM 0 H LEU A 50 4.679 -1.989 9.040 1.00 0.00 H new ATOM 0 HA LEU A 50 2.989 -4.318 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.276 -4.300 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.445 -5.732 8.181 1.00 0.00 H new ATOM 0 HG LEU A 50 3.088 -3.497 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.169 -5.018 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.799 -4.558 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.146 -6.165 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.307 -5.169 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.212 -6.321 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.579 -4.819 8.050 1.00 0.00 H new ATOM 737 N GLN A 51 4.915 -5.368 10.951 1.00 0.00 N ATOM 738 CA GLN A 51 5.868 -5.741 11.990 1.00 0.00 C ATOM 739 C GLN A 51 6.487 -7.104 11.697 1.00 0.00 C ATOM 740 O GLN A 51 5.919 -7.908 10.959 1.00 0.00 O ATOM 741 CB GLN A 51 5.181 -5.763 13.357 1.00 0.00 C ATOM 742 CG GLN A 51 5.199 -4.420 14.069 1.00 0.00 C ATOM 743 CD GLN A 51 5.125 -4.557 15.577 1.00 0.00 C ATOM 744 OE1 GLN A 51 4.789 -5.620 16.099 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.440 -3.479 16.285 1.00 0.00 N ATOM 0 H GLN A 51 4.193 -6.065 10.770 1.00 0.00 H new ATOM 0 HA GLN A 51 6.664 -4.996 12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.147 -6.083 13.229 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.669 -6.506 13.988 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.109 -3.883 13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.360 -3.818 13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.713 -2.619 15.810 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.409 -3.511 17.304 1.00 0.00 H new ATOM 959 N LYS A 65 8.651 -2.495 7.931 1.00 0.00 N ATOM 960 CA LYS A 65 8.214 -2.371 6.546 1.00 0.00 C ATOM 961 C LYS A 65 6.853 -1.687 6.464 1.00 0.00 C ATOM 962 O LYS A 65 5.878 -2.149 7.057 1.00 0.00 O ATOM 963 CB LYS A 65 8.144 -3.750 5.886 1.00 0.00 C ATOM 964 CG LYS A 65 8.408 -3.724 4.391 1.00 0.00 C ATOM 965 CD LYS A 65 8.404 -5.123 3.799 1.00 0.00 C ATOM 966 CE LYS A 65 7.009 -5.537 3.356 1.00 0.00 C ATOM 967 NZ LYS A 65 7.048 -6.653 2.371 1.00 0.00 N ATOM 0 HA LYS A 65 8.942 -1.758 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.870 -4.409 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.158 -4.179 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.649 -3.117 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.370 -3.250 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.083 -5.161 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.778 -5.833 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.427 -5.841 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.499 -4.681 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.112 -6.760 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.755 -6.444 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.305 -7.536 2.857 1.00 0.00 H new ATOM 981 N VAL A 66 6.793 -0.584 5.723 1.00 0.00 N ATOM 982 CA VAL A 66 5.551 0.162 5.562 1.00 0.00 C ATOM 983 C VAL A 66 5.245 0.406 4.088 1.00 0.00 C ATOM 984 O VAL A 66 6.074 0.943 3.353 1.00 0.00 O ATOM 985 CB VAL A 66 5.610 1.515 6.294 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.630 2.434 5.638 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.235 2.165 6.322 1.00 0.00 C ATOM 0 H VAL A 66 7.590 -0.188 5.225 1.00 0.00 H new ATOM 0 HA VAL A 66 4.758 -0.444 6.000 1.00 0.00 H new ATOM 0 HB VAL A 66 5.925 1.339 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.657 3.385 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.615 1.969 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.349 2.607 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.295 3.120 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.889 2.329 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.534 1.512 6.842 1.00 0.00 H new ATOM 997 N ILE A 67 4.050 0.010 3.664 1.00 0.00 N ATOM 998 CA ILE A 67 3.634 0.188 2.279 1.00 0.00 C ATOM 999 C ILE A 67 2.559 1.263 2.161 1.00 0.00 C ATOM 1000 O ILE A 67 1.376 0.999 2.379 1.00 0.00 O ATOM 1001 CB ILE A 67 3.098 -1.125 1.679 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.114 -2.253 1.874 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.780 -0.942 0.202 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.506 -3.635 1.790 1.00 0.00 C ATOM 0 H ILE A 67 3.353 -0.436 4.260 1.00 0.00 H new ATOM 0 HA ILE A 67 4.518 0.499 1.722 1.00 0.00 H new ATOM 0 HB ILE A 67 2.179 -1.395 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.895 -2.162 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.594 -2.135 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.402 -1.879 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.025 -0.165 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.685 -0.651 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.284 -4.384 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.745 -3.745 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.050 -3.773 0.809 1.00 0.00 H new ATOM 1016 N ARG A 68 2.978 2.476 1.814 1.00 0.00 N ATOM 1017 CA ARG A 68 2.051 3.591 1.667 1.00 0.00 C ATOM 1018 C ARG A 68 0.972 3.269 0.637 1.00 0.00 C ATOM 1019 O ARG A 68 1.266 2.780 -0.454 1.00 0.00 O ATOM 1020 CB ARG A 68 2.805 4.857 1.252 1.00 0.00 C ATOM 1021 CG ARG A 68 3.642 4.683 -0.004 1.00 0.00 C ATOM 1022 CD ARG A 68 4.337 5.978 -0.394 1.00 0.00 C ATOM 1023 NE ARG A 68 5.654 6.101 0.225 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.504 7.086 -0.044 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.176 8.029 -0.916 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.685 7.129 0.560 1.00 0.00 N ATOM 0 H ARG A 68 3.953 2.711 1.630 1.00 0.00 H new ATOM 0 HA ARG A 68 1.570 3.761 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.087 5.661 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.454 5.168 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.387 3.904 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.005 4.349 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.441 6.021 -1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.717 6.825 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 68 5.937 5.392 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.269 7.999 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.830 8.784 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.941 6.405 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.337 7.886 0.353 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.278 3.546 0.992 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.402 3.285 0.100 1.00 0.00 C ATOM 1042 C LEU A 69 -1.168 3.914 -1.269 1.00 0.00 C ATOM 1043 O LEU A 69 -1.646 3.410 -2.285 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.697 3.826 0.708 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.134 3.194 2.030 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.428 3.824 2.521 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.297 1.689 1.873 1.00 0.00 C ATOM 0 H LEU A 69 -0.538 3.951 1.891 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.490 2.206 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.582 4.899 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.499 3.692 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.359 3.380 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.723 3.362 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.278 4.893 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.212 3.670 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.608 1.256 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.052 1.482 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.347 1.250 1.568 1.00 0.00 H new ATOM 1059 N SER A 70 -0.427 5.018 -1.289 1.00 0.00 N ATOM 1060 CA SER A 70 -0.130 5.717 -2.534 1.00 0.00 C ATOM 1061 C SER A 70 0.605 4.802 -3.509 1.00 0.00 C ATOM 1062 O SER A 70 0.401 4.876 -4.720 1.00 0.00 O ATOM 1063 CB SER A 70 0.711 6.964 -2.254 1.00 0.00 C ATOM 1064 OG SER A 70 0.557 7.924 -3.285 1.00 0.00 O ATOM 0 H SER A 70 -0.022 5.447 -0.457 1.00 0.00 H new ATOM 0 HA SER A 70 -1.074 6.018 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.415 7.400 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.761 6.686 -2.165 1.00 0.00 H new ATOM 0 HG SER A 70 1.103 8.712 -3.082 1.00 0.00 H new ATOM 1070 N ASP A 71 1.461 3.940 -2.971 1.00 0.00 N ATOM 1071 CA ASP A 71 2.226 3.009 -3.792 1.00 0.00 C ATOM 1072 C ASP A 71 1.317 1.945 -4.398 1.00 0.00 C ATOM 1073 O ASP A 71 1.609 1.398 -5.462 1.00 0.00 O ATOM 1074 CB ASP A 71 3.324 2.346 -2.959 1.00 0.00 C ATOM 1075 CG ASP A 71 4.452 1.804 -3.814 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.597 2.264 -4.966 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.190 0.918 -3.333 1.00 0.00 O ATOM 0 H ASP A 71 1.642 3.867 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 71 2.686 3.572 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.725 3.070 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.892 1.533 -2.375 1.00 0.00 H new ATOM 1082 N CYS A 72 0.215 1.656 -3.715 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.736 0.656 -4.185 1.00 0.00 C ATOM 1084 C CYS A 72 -1.353 1.076 -5.515 1.00 0.00 C ATOM 1085 O CYS A 72 -2.414 1.700 -5.551 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.836 0.439 -3.145 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.232 -0.138 -1.542 1.00 0.00 S ATOM 0 H CYS A 72 -0.042 2.100 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.197 -0.280 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.376 1.375 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.551 -0.286 -3.534 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.235 -0.290 -0.729 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.681 0.730 -6.608 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.162 1.072 -7.942 1.00 0.00 C ATOM 1095 C LEU A 73 -2.595 0.588 -8.145 1.00 0.00 C ATOM 1096 O LEU A 73 -3.481 1.369 -8.493 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.250 0.462 -9.007 1.00 0.00 C ATOM 1098 CG LEU A 73 1.138 1.091 -9.143 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.094 0.129 -9.831 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.056 2.403 -9.908 1.00 0.00 C ATOM 0 H LEU A 73 0.198 0.213 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.147 2.158 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.126 -0.598 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.754 0.531 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 73 1.521 1.300 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.076 0.593 -9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.176 -0.785 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.716 -0.111 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.052 2.836 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.652 2.219 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.405 3.095 -9.374 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.814 -0.704 -7.924 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.139 -1.292 -8.082 1.00 0.00 C ATOM 1114 C ARG A 74 -4.343 -2.442 -7.101 1.00 0.00 C ATOM 1115 O ARG A 74 -3.394 -3.133 -6.731 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.331 -1.790 -9.516 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.723 -2.336 -9.789 1.00 0.00 C ATOM 1118 CD ARG A 74 -5.804 -3.826 -9.494 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.171 -4.330 -9.594 1.00 0.00 N ATOM 1120 CZ ARG A 74 -7.817 -4.479 -10.746 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.223 -4.164 -11.888 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.060 -4.944 -10.755 1.00 0.00 N ATOM 0 H ARG A 74 -2.091 -1.363 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.880 -0.521 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.129 -0.971 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.597 -2.569 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.451 -1.803 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.988 -2.155 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.166 -4.369 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.419 -4.019 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.656 -4.581 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.268 -3.806 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.721 -4.279 -12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.520 -5.187 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.555 -5.058 -11.639 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.589 -2.641 -6.682 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.919 -3.708 -5.744 1.00 0.00 C ATOM 1138 C VAL A 75 -7.185 -4.442 -6.171 1.00 0.00 C ATOM 1139 O VAL A 75 -7.901 -3.998 -7.068 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.112 -3.161 -4.318 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.940 -2.275 -3.922 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.425 -2.400 -4.212 1.00 0.00 C ATOM 0 H VAL A 75 -6.386 -2.077 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.080 -4.404 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.150 -4.003 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.094 -1.898 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.018 -2.855 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.867 -1.437 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.545 -2.021 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.419 -1.565 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.253 -3.068 -4.450 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.456 -5.570 -5.521 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.637 -6.365 -5.831 1.00 0.00 C ATOM 1154 C ALA A 76 -8.865 -7.444 -4.777 1.00 0.00 C ATOM 1155 O ALA A 76 -8.076 -7.588 -3.844 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.504 -6.993 -7.211 1.00 0.00 C ATOM 0 H ALA A 76 -6.873 -5.953 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.502 -5.701 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.394 -7.584 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.398 -6.208 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.625 -7.638 -7.234 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.949 -8.197 -4.932 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.281 -9.261 -3.992 1.00 0.00 C ATOM 1164 C GLU A 77 -10.170 -10.629 -4.658 1.00 0.00 C ATOM 1165 O GLU A 77 -10.760 -10.868 -5.711 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.694 -9.062 -3.440 1.00 0.00 C ATOM 1167 CG GLU A 77 -11.943 -7.666 -2.894 1.00 0.00 C ATOM 1168 CD GLU A 77 -12.402 -6.695 -3.963 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -11.538 -6.169 -4.697 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.624 -6.459 -4.067 1.00 0.00 O ATOM 0 H GLU A 77 -10.612 -8.090 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.569 -9.219 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.416 -9.268 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.872 -9.790 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.696 -7.717 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.028 -7.290 -2.436 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.410 -11.524 -4.035 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.223 -12.869 -4.566 1.00 0.00 C ATOM 1179 C ALA A 78 -10.210 -13.848 -3.939 1.00 0.00 C ATOM 1180 O ALA A 78 -11.156 -14.292 -4.588 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.793 -13.334 -4.332 1.00 0.00 C ATOM 0 H ALA A 78 -8.914 -11.342 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.413 -12.840 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.667 -14.340 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.103 -12.655 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.583 -13.341 -3.262 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.852 -20.539 4.904 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.322 -19.730 6.022 1.00 0.00 C ATOM 1288 C ASP A 87 -11.685 -18.344 5.995 1.00 0.00 C ATOM 1289 O ASP A 87 -11.718 -17.614 6.987 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.008 -20.423 7.349 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.122 -21.348 7.797 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.957 -21.725 6.948 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.159 -21.695 8.996 1.00 0.00 O ATOM 0 HA ASP A 87 -13.402 -19.616 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.085 -20.993 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.835 -19.669 8.117 1.00 0.00 H new ATOM 1298 N THR A 88 -11.105 -17.986 4.853 1.00 0.00 N ATOM 1299 CA THR A 88 -10.459 -16.689 4.698 1.00 0.00 C ATOM 1300 C THR A 88 -10.606 -16.170 3.272 1.00 0.00 C ATOM 1301 O THR A 88 -11.162 -16.848 2.408 1.00 0.00 O ATOM 1302 CB THR A 88 -8.962 -16.761 5.054 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.320 -17.774 4.271 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.772 -17.060 6.533 1.00 0.00 C ATOM 0 H THR A 88 -11.070 -18.577 4.022 1.00 0.00 H new ATOM 0 HA THR A 88 -10.956 -16.004 5.385 1.00 0.00 H new ATOM 0 HB THR A 88 -8.512 -15.793 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.368 -17.812 4.502 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.707 -17.106 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.236 -16.272 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.236 -18.016 6.773 1.00 0.00 H new ATOM 1312 N SER A 89 -10.104 -14.962 3.032 1.00 0.00 N ATOM 1313 CA SER A 89 -10.183 -14.350 1.711 1.00 0.00 C ATOM 1314 C SER A 89 -8.967 -13.467 1.448 1.00 0.00 C ATOM 1315 O SER A 89 -8.768 -12.452 2.114 1.00 0.00 O ATOM 1316 CB SER A 89 -11.464 -13.524 1.584 1.00 0.00 C ATOM 1317 OG SER A 89 -12.583 -14.354 1.324 1.00 0.00 O ATOM 0 H SER A 89 -9.638 -14.388 3.735 1.00 0.00 H new ATOM 0 HA SER A 89 -10.199 -15.148 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.630 -12.962 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.353 -12.796 0.780 1.00 0.00 H new ATOM 0 HG SER A 89 -12.347 -15.288 1.507 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.156 -13.864 0.473 1.00 0.00 N ATOM 1324 CA ALA A 90 -6.960 -13.109 0.119 1.00 0.00 C ATOM 1325 C ALA A 90 -7.286 -11.998 -0.874 1.00 0.00 C ATOM 1326 O ALA A 90 -8.249 -12.095 -1.635 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.900 -14.038 -0.453 1.00 0.00 C ATOM 0 H ALA A 90 -8.305 -14.704 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.570 -12.646 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.013 -13.461 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.638 -14.792 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.289 -14.528 -1.346 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.478 -10.943 -0.861 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.681 -9.813 -1.759 1.00 0.00 C ATOM 1335 C PHE A 91 -5.415 -9.520 -2.560 1.00 0.00 C ATOM 1336 O PHE A 91 -4.329 -9.989 -2.219 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.095 -8.572 -0.966 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.067 -8.129 0.035 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.857 -8.852 1.198 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.309 -6.991 -0.188 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.912 -8.446 2.121 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.362 -6.581 0.731 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.163 -7.310 1.887 1.00 0.00 C ATOM 0 H PHE A 91 -5.676 -10.847 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.478 -10.073 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.289 -7.755 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.031 -8.778 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.438 -9.743 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.460 -6.418 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.759 -9.017 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.778 -5.692 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.423 -6.992 2.607 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.564 -8.742 -3.626 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.434 -8.387 -4.477 1.00 0.00 C ATOM 1355 C PHE A 92 -3.837 -7.047 -4.057 1.00 0.00 C ATOM 1356 O PHE A 92 -4.508 -6.223 -3.434 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.871 -8.326 -5.943 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.901 -9.669 -6.615 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.727 -10.278 -7.027 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.103 -10.322 -6.835 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.752 -11.513 -7.647 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.134 -11.558 -7.454 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.957 -12.154 -7.859 1.00 0.00 C ATOM 0 H PHE A 92 -6.456 -8.345 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.671 -9.157 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.863 -7.878 -6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.193 -7.670 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.782 -9.782 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.027 -9.860 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.830 -11.977 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.078 -12.056 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.978 -13.120 -8.341 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.572 -6.836 -4.403 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.882 -5.597 -4.062 1.00 0.00 C ATOM 1375 C LEU A 93 -0.732 -5.330 -5.028 1.00 0.00 C ATOM 1376 O LEU A 93 0.306 -5.986 -4.968 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.353 -5.662 -2.628 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.222 -4.324 -1.899 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.750 -4.539 -0.470 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.269 -3.402 -2.645 1.00 0.00 C ATOM 0 H LEU A 93 -2.003 -7.507 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.597 -4.779 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.013 -6.306 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.374 -6.141 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.203 -3.851 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.663 -3.576 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.470 -5.162 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.221 -5.034 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.188 -2.455 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.714 -3.869 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.650 -3.221 -3.650 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.926 -4.360 -5.917 1.00 0.00 N ATOM 1393 CA GLU A 94 0.096 -4.005 -6.895 1.00 0.00 C ATOM 1394 C GLU A 94 0.751 -2.674 -6.539 1.00 0.00 C ATOM 1395 O GLU A 94 0.068 -1.684 -6.273 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.513 -3.929 -8.296 1.00 0.00 C ATOM 1397 CG GLU A 94 0.499 -4.134 -9.411 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.148 -4.557 -10.716 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.328 -4.209 -10.932 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.524 -5.235 -11.520 1.00 0.00 O ATOM 0 H GLU A 94 -1.781 -3.807 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 94 0.861 -4.781 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.296 -4.682 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.990 -2.957 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.053 -3.209 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.222 -4.891 -9.106 1.00 0.00 H new ATOM 1407 N THR A 95 2.080 -2.657 -6.536 1.00 0.00 N ATOM 1408 CA THR A 95 2.828 -1.449 -6.212 1.00 0.00 C ATOM 1409 C THR A 95 3.935 -1.198 -7.230 1.00 0.00 C ATOM 1410 O THR A 95 4.246 -2.061 -8.051 1.00 0.00 O ATOM 1411 CB THR A 95 3.450 -1.533 -4.805 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.354 -2.641 -4.735 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.369 -1.685 -3.745 1.00 0.00 C ATOM 0 H THR A 95 2.661 -3.467 -6.754 1.00 0.00 H new ATOM 0 HA THR A 95 2.119 -0.622 -6.239 1.00 0.00 H new ATOM 0 HB THR A 95 3.995 -0.608 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.142 -3.282 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.831 -1.742 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.699 -0.826 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.801 -2.596 -3.933 1.00 0.00 H new ATOM 1421 N LYS A 96 4.528 -0.010 -7.171 1.00 0.00 N ATOM 1422 CA LYS A 96 5.603 0.355 -8.086 1.00 0.00 C ATOM 1423 C LYS A 96 6.711 -0.694 -8.071 1.00 0.00 C ATOM 1424 O LYS A 96 7.282 -1.022 -9.110 1.00 0.00 O ATOM 1425 CB LYS A 96 6.176 1.724 -7.712 1.00 0.00 C ATOM 1426 CG LYS A 96 5.434 2.888 -8.345 1.00 0.00 C ATOM 1427 CD LYS A 96 5.903 4.219 -7.784 1.00 0.00 C ATOM 1428 CE LYS A 96 4.827 5.288 -7.911 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.381 6.657 -7.724 1.00 0.00 N ATOM 0 H LYS A 96 4.282 0.717 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 96 5.188 0.404 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.151 1.835 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.223 1.765 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.585 2.873 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.364 2.776 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.175 4.098 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.801 4.541 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.358 5.217 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.047 5.108 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.617 7.356 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.806 6.733 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.108 6.839 -8.445 1.00 0.00 H new ATOM 1443 N GLU A 97 7.008 -1.216 -6.885 1.00 0.00 N ATOM 1444 CA GLU A 97 8.047 -2.228 -6.736 1.00 0.00 C ATOM 1445 C GLU A 97 7.652 -3.522 -7.443 1.00 0.00 C ATOM 1446 O GLU A 97 8.322 -3.959 -8.379 1.00 0.00 O ATOM 1447 CB GLU A 97 8.312 -2.504 -5.254 1.00 0.00 C ATOM 1448 CG GLU A 97 9.552 -3.347 -5.005 1.00 0.00 C ATOM 1449 CD GLU A 97 10.108 -3.166 -3.605 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.184 -2.010 -3.141 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.465 -4.183 -2.974 1.00 0.00 O ATOM 0 H GLU A 97 6.544 -0.955 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 97 8.959 -1.847 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.417 -1.554 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.447 -3.011 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.310 -4.398 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.319 -3.083 -5.734 1.00 0.00 H new ATOM 1458 N ARG A 98 6.562 -4.129 -6.987 1.00 0.00 N ATOM 1459 CA ARG A 98 6.079 -5.373 -7.574 1.00 0.00 C ATOM 1460 C ARG A 98 4.678 -5.705 -7.068 1.00 0.00 C ATOM 1461 O ARG A 98 4.076 -4.931 -6.323 1.00 0.00 O ATOM 1462 CB ARG A 98 7.036 -6.521 -7.248 1.00 0.00 C ATOM 1463 CG ARG A 98 7.225 -6.752 -5.757 1.00 0.00 C ATOM 1464 CD ARG A 98 8.443 -7.619 -5.478 1.00 0.00 C ATOM 1465 NE ARG A 98 8.305 -8.371 -4.234 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.338 -8.821 -3.529 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.576 -8.597 -3.945 1.00 0.00 N ATOM 1468 NH2 ARG A 98 9.132 -9.498 -2.407 1.00 0.00 N ATOM 0 H ARG A 98 5.997 -3.780 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 98 6.035 -5.242 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.660 -7.437 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.006 -6.314 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.336 -5.793 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.335 -7.229 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.592 -8.312 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.332 -6.990 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 98 7.365 -8.561 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.738 -8.078 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.367 -8.943 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.180 -9.674 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.925 -9.843 -1.867 1.00 0.00 H new ATOM 1482 N LEU A 99 4.165 -6.860 -7.477 1.00 0.00 N ATOM 1483 CA LEU A 99 2.835 -7.295 -7.065 1.00 0.00 C ATOM 1484 C LEU A 99 2.916 -8.246 -5.876 1.00 0.00 C ATOM 1485 O LEU A 99 3.518 -9.317 -5.964 1.00 0.00 O ATOM 1486 CB LEU A 99 2.117 -7.978 -8.231 1.00 0.00 C ATOM 1487 CG LEU A 99 0.729 -8.544 -7.925 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.335 -7.470 -8.097 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.432 -9.739 -8.819 1.00 0.00 C ATOM 0 H LEU A 99 4.650 -7.512 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 99 2.269 -6.414 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.023 -7.259 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.747 -8.790 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 99 0.714 -8.879 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.316 -7.891 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.132 -6.644 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.321 -7.105 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.559 -10.129 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.465 -9.429 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.177 -10.516 -8.647 1.00 0.00 H new ATOM 1501 N TYR A 100 2.305 -7.850 -4.765 1.00 0.00 N ATOM 1502 CA TYR A 100 2.309 -8.667 -3.557 1.00 0.00 C ATOM 1503 C TYR A 100 0.957 -9.344 -3.354 1.00 0.00 C ATOM 1504 O TYR A 100 -0.089 -8.779 -3.677 1.00 0.00 O ATOM 1505 CB TYR A 100 2.652 -7.810 -2.338 1.00 0.00 C ATOM 1506 CG TYR A 100 4.004 -7.139 -2.429 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.170 -7.843 -2.157 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.114 -5.802 -2.789 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.407 -7.234 -2.239 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.347 -5.185 -2.874 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.491 -5.905 -2.598 1.00 0.00 C ATOM 1512 OH TYR A 100 7.721 -5.295 -2.682 1.00 0.00 O ATOM 0 H TYR A 100 1.800 -6.968 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 100 3.068 -9.440 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.884 -7.046 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.626 -8.436 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.108 -8.884 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.221 -5.235 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.304 -7.796 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.415 -4.144 -3.155 1.00 0.00 H new ATOM 0 HH TYR A 100 7.604 -4.359 -2.948 1.00 0.00 H new ATOM 1522 N LEU A 101 0.986 -10.558 -2.815 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.236 -11.314 -2.567 1.00 0.00 C ATOM 1524 C LEU A 101 -0.386 -11.635 -1.083 1.00 0.00 C ATOM 1525 O LEU A 101 0.205 -12.592 -0.581 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.234 -12.609 -3.382 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.437 -13.530 -3.183 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.655 -12.982 -3.911 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.116 -14.938 -3.662 1.00 0.00 C ATOM 0 H LEU A 101 1.843 -11.040 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.082 -10.700 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.172 -12.349 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.670 -13.167 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.665 -13.573 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.502 -13.651 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.898 -11.994 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.439 -12.908 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.984 -15.580 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.862 -14.913 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.272 -15.331 -3.095 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.181 -10.830 -0.386 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.411 -11.029 1.040 1.00 0.00 C ATOM 1543 C LEU A 102 -2.749 -11.720 1.285 1.00 0.00 C ATOM 1544 O LEU A 102 -3.596 -11.786 0.395 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.374 -9.688 1.775 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.007 -9.011 1.868 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.219 -8.098 0.673 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.115 -8.230 3.168 1.00 0.00 C ATOM 0 H LEU A 102 -1.677 -10.033 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.617 -11.669 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.062 -9.005 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.751 -9.840 2.786 1.00 0.00 H new ATOM 0 HG LEU A 102 0.761 -9.785 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.197 -7.625 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.176 -8.683 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.555 -7.330 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.095 -7.755 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.661 -7.466 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.001 -8.909 4.013 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.932 -12.230 2.498 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.168 -12.912 2.862 1.00 0.00 C ATOM 1562 C ALA A 103 -4.892 -12.175 3.984 1.00 0.00 C ATOM 1563 O ALA A 103 -4.260 -11.621 4.883 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.878 -14.348 3.271 1.00 0.00 C ATOM 0 H ALA A 103 -2.240 -12.184 3.246 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.820 -12.920 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.810 -14.845 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.412 -14.876 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.204 -14.353 4.127 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.219 -12.173 3.925 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.028 -11.505 4.937 1.00 0.00 C ATOM 1572 C ALA A 104 -8.265 -12.328 5.282 1.00 0.00 C ATOM 1573 O ALA A 104 -8.824 -13.035 4.442 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.431 -10.118 4.460 1.00 0.00 C ATOM 0 H ALA A 104 -6.757 -12.627 3.187 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.426 -11.406 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.035 -9.631 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.537 -9.524 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.011 -10.204 3.541 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.704 -12.237 6.546 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.880 -12.966 7.030 1.00 0.00 C ATOM 1582 C PRO A 105 -11.179 -12.432 6.437 1.00 0.00 C ATOM 1583 O PRO A 105 -11.486 -11.246 6.558 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.845 -12.731 8.542 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.101 -11.451 8.709 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.087 -11.414 7.599 1.00 0.00 C ATOM 0 HA PRO A 105 -9.852 -14.018 6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.851 -12.661 8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.345 -13.550 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.776 -10.597 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.615 -11.406 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.903 -10.396 7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.128 -11.822 7.917 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.938 -13.314 5.796 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.205 -12.931 5.186 1.00 0.00 C ATOM 1596 C ALA A 106 -13.955 -11.930 6.060 1.00 0.00 C ATOM 1597 O ALA A 106 -14.748 -11.131 5.564 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.064 -14.162 4.935 1.00 0.00 C ATOM 0 H ALA A 106 -11.697 -14.299 5.686 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.989 -12.451 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.007 -13.861 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.538 -14.842 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.263 -14.666 5.881 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.698 -11.981 7.363 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.347 -11.078 8.305 1.00 0.00 C ATOM 1606 C ALA A 107 -13.894 -9.638 8.087 1.00 0.00 C ATOM 1607 O ALA A 107 -14.716 -8.726 8.007 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.061 -11.512 9.735 1.00 0.00 C ATOM 0 H ALA A 107 -13.045 -12.638 7.790 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.422 -11.123 8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.552 -10.828 10.428 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.440 -12.522 9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.986 -11.497 9.912 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.583 -9.443 7.991 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.022 -8.113 7.783 1.00 0.00 C ATOM 1616 C GLU A 108 -11.879 -7.810 6.295 1.00 0.00 C ATOM 1617 O GLU A 108 -12.269 -6.739 5.828 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.661 -7.996 8.472 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.679 -8.419 9.932 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.066 -7.287 10.863 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.275 -7.125 11.131 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.159 -6.562 11.324 1.00 0.00 O ATOM 0 H GLU A 108 -11.890 -10.188 8.054 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.706 -7.385 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.937 -8.608 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.317 -6.964 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.380 -9.244 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.693 -8.792 10.210 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.316 -8.759 5.555 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.119 -8.594 4.120 1.00 0.00 C ATOM 1631 C ARG A 109 -12.257 -7.785 3.505 1.00 0.00 C ATOM 1632 O ARG A 109 -12.025 -6.856 2.732 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.021 -9.958 3.436 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.688 -9.875 1.955 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.946 -9.811 1.104 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.379 -8.437 0.869 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.523 -8.118 0.274 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.345 -9.071 -0.144 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -13.848 -6.843 0.097 1.00 0.00 N ATOM 0 H ARG A 109 -10.988 -9.651 5.926 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.186 -8.052 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.258 -10.553 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.967 -10.485 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.075 -8.993 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.095 -10.742 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.762 -10.301 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.746 -10.364 1.597 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.770 -7.680 1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.099 -10.052 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.223 -8.823 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.219 -6.107 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.727 -6.599 -0.360 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.488 -8.145 3.853 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.644 -7.443 3.326 1.00 0.00 C ATOM 1655 C GLY A 110 -14.513 -5.938 3.447 1.00 0.00 C ATOM 1656 O GLY A 110 -14.793 -5.206 2.497 1.00 0.00 O ATOM 0 H GLY A 110 -13.706 -8.911 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.780 -7.710 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.538 -7.771 3.857 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.088 -5.475 4.617 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.921 -4.046 4.859 1.00 0.00 C ATOM 1662 C ASP A 111 -12.553 -3.571 4.381 1.00 0.00 C ATOM 1663 O ASP A 111 -12.438 -2.532 3.730 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.093 -3.736 6.346 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.536 -3.456 6.717 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.072 -2.420 6.271 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -16.129 -4.272 7.453 1.00 0.00 O ATOM 0 H ASP A 111 -13.853 -6.068 5.413 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.687 -3.514 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.727 -4.577 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.480 -2.873 6.607 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.518 -4.335 4.711 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.157 -3.991 4.317 1.00 0.00 C ATOM 1674 C TRP A 112 -10.141 -3.309 2.954 1.00 0.00 C ATOM 1675 O TRP A 112 -9.959 -2.095 2.858 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.281 -5.245 4.284 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.677 -5.583 5.613 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.823 -6.750 6.307 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.832 -4.744 6.409 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.121 -6.687 7.487 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.503 -5.467 7.572 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.320 -3.453 6.251 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.687 -4.940 8.570 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.511 -2.932 7.242 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.200 -3.674 8.389 1.00 0.00 C ATOM 0 H TRP A 112 -11.595 -5.197 5.251 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.756 -3.296 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.879 -6.089 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.483 -5.103 3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.405 -7.598 5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.069 -7.428 8.186 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.553 -2.873 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.447 -5.510 9.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.111 -1.935 7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.564 -3.238 9.145 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.332 -4.096 1.900 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.341 -3.567 0.542 1.00 0.00 C ATOM 1698 C VAL A 113 -11.143 -2.273 0.461 1.00 0.00 C ATOM 1699 O VAL A 113 -10.740 -1.323 -0.210 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.929 -4.585 -0.454 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.050 -3.969 -1.839 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.076 -5.844 -0.494 1.00 0.00 C ATOM 0 H VAL A 113 -10.483 -5.103 1.961 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.304 -3.366 0.275 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.928 -4.861 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.467 -4.703 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.706 -3.099 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.064 -3.662 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.506 -6.552 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.064 -5.588 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.047 -6.295 0.498 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.278 -2.243 1.151 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.137 -1.065 1.157 1.00 0.00 C ATOM 1714 C GLN A 114 -12.363 0.171 1.603 1.00 0.00 C ATOM 1715 O GLN A 114 -12.277 1.159 0.875 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.339 -1.288 2.077 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.523 -0.388 1.760 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.000 -0.534 0.329 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.576 -1.439 -0.390 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.887 0.360 -0.093 1.00 0.00 N ATOM 0 H GLN A 114 -12.624 -3.021 1.713 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.493 -0.901 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.654 -2.329 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.032 -1.120 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.344 -0.621 2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.245 0.650 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.211 1.094 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.244 0.313 -1.047 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.800 0.108 2.806 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.031 1.221 3.348 1.00 0.00 C ATOM 1731 C ALA A 115 -9.769 1.467 2.529 1.00 0.00 C ATOM 1732 O ALA A 115 -9.542 2.574 2.038 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.674 0.956 4.804 1.00 0.00 C ATOM 0 H ALA A 115 -11.862 -0.702 3.423 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.648 2.118 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.100 1.795 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.587 0.837 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.079 0.045 4.873 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.950 0.431 2.386 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.711 0.536 1.626 1.00 0.00 C ATOM 1741 C ILE A 116 -7.965 1.111 0.236 1.00 0.00 C ATOM 1742 O ILE A 116 -7.141 1.851 -0.301 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.019 -0.833 1.484 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.782 -1.454 2.862 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.706 -0.687 0.729 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.243 -2.866 2.803 1.00 0.00 C ATOM 0 H ILE A 116 -9.122 -0.491 2.787 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.057 1.209 2.181 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.671 -1.496 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.082 -0.830 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.720 -1.454 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.229 -1.663 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.901 -0.283 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.047 -0.011 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.099 -3.243 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -6.952 -3.504 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.289 -2.870 2.275 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.112 0.767 -0.339 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.477 1.250 -1.666 1.00 0.00 C ATOM 1760 C CYS A 117 -10.059 2.658 -1.592 1.00 0.00 C ATOM 1761 O CYS A 117 -10.013 3.412 -2.564 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.485 0.302 -2.317 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.008 0.804 -3.974 1.00 0.00 S ATOM 0 H CYS A 117 -9.805 0.156 0.093 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.573 1.282 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.047 -0.695 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.364 0.229 -1.677 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.831 2.084 -4.116 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.607 3.005 -0.432 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.200 4.323 -0.231 1.00 0.00 C ATOM 1771 C LEU A 118 -10.119 5.386 -0.063 1.00 0.00 C ATOM 1772 O LEU A 118 -10.303 6.540 -0.453 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.114 4.310 0.996 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.573 3.929 0.742 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.258 3.542 2.043 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.313 5.075 0.067 1.00 0.00 C ATOM 0 H LEU A 118 -10.653 2.393 0.383 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.790 4.568 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.699 3.614 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.092 5.300 1.451 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.593 3.067 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.295 3.274 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.742 2.690 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.228 4.384 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.350 4.787 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.284 5.955 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.836 5.305 -0.886 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.992 4.990 0.518 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.880 5.909 0.736 1.00 0.00 C ATOM 1790 C LEU A 119 -6.835 5.771 -0.368 1.00 0.00 C ATOM 1791 O LEU A 119 -6.398 6.763 -0.950 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.236 5.648 2.099 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.929 6.289 3.302 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.397 5.701 4.599 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.742 7.799 3.283 1.00 0.00 C ATOM 0 H LEU A 119 -8.824 4.039 0.847 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.272 6.926 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.196 4.571 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.206 6.004 2.066 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.996 6.074 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.901 6.169 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.583 4.627 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.325 5.885 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.242 8.238 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.678 8.034 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.172 8.207 2.368 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.442 4.533 -0.651 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.452 4.265 -1.687 1.00 0.00 C ATOM 1809 C ALA A 120 -5.884 4.857 -3.024 1.00 0.00 C ATOM 1810 O ALA A 120 -5.057 5.089 -3.907 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.221 2.767 -1.820 1.00 0.00 C ATOM 0 H ALA A 120 -6.794 3.701 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.516 4.741 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.480 2.581 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.861 2.369 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.157 2.277 -2.087 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.182 5.099 -3.168 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.724 5.663 -4.399 1.00 0.00 C ATOM 1819 C PHE A 121 -8.561 6.904 -4.107 1.00 0.00 C ATOM 1820 O PHE A 121 -9.619 7.107 -4.703 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.573 4.622 -5.131 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.860 3.320 -5.360 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.527 2.501 -4.293 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.523 2.915 -6.641 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.871 1.301 -4.500 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.868 1.717 -6.854 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.541 0.910 -5.782 1.00 0.00 C ATOM 0 H PHE A 121 -7.879 4.913 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.888 5.953 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.479 4.434 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.885 5.030 -6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.783 2.803 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.775 3.543 -7.483 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.617 0.671 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.612 1.412 -7.858 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.028 -0.026 -5.947 1.00 0.00 H new