USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 535 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 14 SER OG : rot 41:sc= 1.27 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0.00734 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.039 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -122:sc=-0.000246 (180deg=-0.239) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-2.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 118:sc= 0.0634 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.24) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0752) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0635) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.324 16.670 0.869 1.00 0.00 N ATOM 137 CA PRO A 9 2.012 15.244 1.132 1.00 0.00 C ATOM 138 C PRO A 9 0.641 15.102 1.797 1.00 0.00 C ATOM 139 O PRO A 9 0.466 15.430 2.955 1.00 0.00 O ATOM 140 CB PRO A 9 3.125 14.795 2.073 1.00 0.00 C ATOM 141 CG PRO A 9 3.598 16.042 2.747 1.00 0.00 C ATOM 142 CD PRO A 9 3.354 17.184 1.790 1.00 0.00 C ATOM 0 HA PRO A 9 1.966 14.646 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.757 14.070 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.934 14.313 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.061 16.202 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.657 15.968 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.011 18.076 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.264 17.458 1.257 1.00 0.00 H new ATOM 150 N LYS A 10 -0.329 14.605 1.071 1.00 0.00 N ATOM 151 CA LYS A 10 -1.692 14.425 1.651 1.00 0.00 C ATOM 152 C LYS A 10 -1.650 13.345 2.739 1.00 0.00 C ATOM 153 O LYS A 10 -0.621 13.112 3.345 1.00 0.00 O ATOM 154 CB LYS A 10 -2.579 14.000 0.470 1.00 0.00 C ATOM 155 CG LYS A 10 -2.078 12.672 -0.114 1.00 0.00 C ATOM 156 CD LYS A 10 -2.279 12.673 -1.631 1.00 0.00 C ATOM 157 CE LYS A 10 -2.248 11.235 -2.152 1.00 0.00 C ATOM 158 NZ LYS A 10 -2.698 11.330 -3.569 1.00 0.00 N ATOM 0 H LYS A 10 -0.233 14.315 0.098 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.075 15.330 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.612 13.894 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.568 14.772 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.023 12.533 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.618 11.838 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.231 13.141 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.498 13.262 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.246 10.812 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.907 10.590 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.703 10.382 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.657 11.730 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.048 11.945 -4.099 1.00 0.00 H new ATOM 172 N ARG A 11 -2.753 12.684 2.992 1.00 0.00 N ATOM 173 CA ARG A 11 -2.769 11.615 4.043 1.00 0.00 C ATOM 174 C ARG A 11 -1.722 10.534 3.716 1.00 0.00 C ATOM 175 O ARG A 11 -1.588 10.147 2.572 1.00 0.00 O ATOM 176 CB ARG A 11 -4.181 11.017 3.990 1.00 0.00 C ATOM 177 CG ARG A 11 -4.985 11.475 5.210 1.00 0.00 C ATOM 178 CD ARG A 11 -5.551 12.874 4.953 1.00 0.00 C ATOM 179 NE ARG A 11 -6.145 13.293 6.253 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.369 12.951 6.551 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.603 11.806 7.129 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.358 13.756 6.273 1.00 0.00 N ATOM 0 H ARG A 11 -3.643 12.837 2.518 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.530 12.009 5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.683 11.328 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.124 9.929 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.796 10.774 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.349 11.485 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.769 13.564 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.302 12.857 4.163 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.596 13.847 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.830 11.178 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.559 11.538 7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.175 14.653 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.314 13.488 6.506 1.00 0.00 H new ATOM 196 N PRO A 12 -1.009 10.072 4.723 1.00 0.00 N ATOM 197 CA PRO A 12 0.016 9.026 4.489 1.00 0.00 C ATOM 198 C PRO A 12 -0.662 7.665 4.255 1.00 0.00 C ATOM 199 O PRO A 12 -1.567 7.305 4.983 1.00 0.00 O ATOM 200 CB PRO A 12 0.824 9.013 5.783 1.00 0.00 C ATOM 201 CG PRO A 12 -0.103 9.540 6.829 1.00 0.00 C ATOM 202 CD PRO A 12 -1.079 10.460 6.142 1.00 0.00 C ATOM 0 HA PRO A 12 0.634 9.219 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.161 8.005 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.715 9.635 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.628 8.723 7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.452 10.075 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.087 10.338 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.806 11.506 6.282 1.00 0.00 H new ATOM 210 N PRO A 13 -0.216 6.943 3.247 1.00 0.00 N ATOM 211 CA PRO A 13 -0.818 5.624 2.953 1.00 0.00 C ATOM 212 C PRO A 13 -0.241 4.560 3.890 1.00 0.00 C ATOM 213 O PRO A 13 0.594 4.849 4.728 1.00 0.00 O ATOM 214 CB PRO A 13 -0.416 5.362 1.507 1.00 0.00 C ATOM 215 CG PRO A 13 0.833 6.161 1.283 1.00 0.00 C ATOM 216 CD PRO A 13 0.864 7.272 2.304 1.00 0.00 C ATOM 0 HA PRO A 13 -1.898 5.599 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.238 4.300 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.205 5.667 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.714 5.527 1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.848 6.571 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.829 7.320 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.700 8.243 1.837 1.00 0.00 H new ATOM 224 N SER A 14 -0.681 3.331 3.759 1.00 0.00 N ATOM 225 CA SER A 14 -0.158 2.246 4.647 1.00 0.00 C ATOM 226 C SER A 14 -0.621 0.869 4.156 1.00 0.00 C ATOM 227 O SER A 14 -1.322 0.157 4.849 1.00 0.00 O ATOM 228 CB SER A 14 -0.745 2.547 6.028 1.00 0.00 C ATOM 229 OG SER A 14 0.198 3.295 6.786 1.00 0.00 O ATOM 0 H SER A 14 -1.378 3.033 3.077 1.00 0.00 H new ATOM 0 HA SER A 14 0.932 2.221 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.674 3.108 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.988 1.618 6.543 1.00 0.00 H new ATOM 0 HG SER A 14 0.619 3.969 6.212 1.00 0.00 H new ATOM 235 N ALA A 15 -0.238 0.485 2.958 1.00 0.00 N ATOM 236 CA ALA A 15 -0.648 -0.847 2.391 1.00 0.00 C ATOM 237 C ALA A 15 -2.152 -0.869 2.110 1.00 0.00 C ATOM 238 O ALA A 15 -2.567 -0.730 0.975 1.00 0.00 O ATOM 239 CB ALA A 15 -0.257 -1.922 3.421 1.00 0.00 C ATOM 0 H ALA A 15 0.349 1.045 2.340 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.146 -1.037 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.539 -2.906 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.820 -1.892 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.775 -1.731 4.361 1.00 0.00 H new ATOM 245 N PHE A 16 -2.976 -1.053 3.118 1.00 0.00 N ATOM 246 CA PHE A 16 -4.463 -1.095 2.894 1.00 0.00 C ATOM 247 C PHE A 16 -4.929 0.088 2.038 1.00 0.00 C ATOM 248 O PHE A 16 -5.646 -0.080 1.070 1.00 0.00 O ATOM 249 CB PHE A 16 -5.073 -1.001 4.292 1.00 0.00 C ATOM 250 CG PHE A 16 -6.464 -1.586 4.276 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.498 -0.915 3.610 1.00 0.00 C ATOM 252 CD2 PHE A 16 -6.723 -2.798 4.926 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.789 -1.456 3.595 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.014 -3.340 4.911 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.047 -2.669 4.246 1.00 0.00 C ATOM 0 H PHE A 16 -2.684 -1.176 4.088 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.762 -1.999 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.450 -1.537 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.108 0.039 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.299 0.020 3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.926 -3.316 5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.586 -0.938 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.213 -4.276 5.412 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.043 -3.087 4.235 1.00 0.00 H new ATOM 265 N PHE A 17 -4.521 1.281 2.390 1.00 0.00 N ATOM 266 CA PHE A 17 -4.932 2.483 1.599 1.00 0.00 C ATOM 267 C PHE A 17 -4.507 2.322 0.135 1.00 0.00 C ATOM 268 O PHE A 17 -5.152 2.823 -0.766 1.00 0.00 O ATOM 269 CB PHE A 17 -4.197 3.662 2.241 1.00 0.00 C ATOM 270 CG PHE A 17 -4.971 4.933 1.994 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.132 5.201 2.730 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.529 5.846 1.028 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.850 6.380 2.501 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.247 7.026 0.799 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.408 7.293 1.536 1.00 0.00 C ATOM 0 H PHE A 17 -3.921 1.476 3.191 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.012 2.627 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.085 3.494 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.193 3.748 1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.473 4.497 3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.634 5.640 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.745 6.586 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.906 7.730 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.962 8.203 1.360 1.00 0.00 H new ATOM 285 N LEU A 18 -3.421 1.629 -0.103 1.00 0.00 N ATOM 286 CA LEU A 18 -2.941 1.433 -1.506 1.00 0.00 C ATOM 287 C LEU A 18 -3.763 0.342 -2.198 1.00 0.00 C ATOM 288 O LEU A 18 -3.968 0.374 -3.397 1.00 0.00 O ATOM 289 CB LEU A 18 -1.473 0.977 -1.395 1.00 0.00 C ATOM 290 CG LEU A 18 -0.662 1.902 -0.469 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.801 1.456 -0.470 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.744 3.349 -0.969 1.00 0.00 C ATOM 0 H LEU A 18 -2.845 1.190 0.615 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.040 2.349 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.436 -0.044 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.019 0.964 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.071 1.846 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.380 2.107 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.868 0.429 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.198 1.513 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.167 3.996 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.338 3.409 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.785 3.673 -0.976 1.00 0.00 H new ATOM 304 N PHE A 19 -4.223 -0.628 -1.449 1.00 0.00 N ATOM 305 CA PHE A 19 -5.022 -1.740 -2.053 1.00 0.00 C ATOM 306 C PHE A 19 -6.452 -1.281 -2.349 1.00 0.00 C ATOM 307 O PHE A 19 -6.928 -1.389 -3.462 1.00 0.00 O ATOM 308 CB PHE A 19 -5.023 -2.846 -0.994 1.00 0.00 C ATOM 309 CG PHE A 19 -5.614 -4.107 -1.576 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.789 -5.026 -2.236 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.985 -4.358 -1.454 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.337 -6.197 -2.773 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.533 -5.529 -1.991 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.709 -6.449 -2.651 1.00 0.00 C ATOM 0 H PHE A 19 -4.080 -0.699 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.601 -2.077 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.006 -3.035 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.600 -2.530 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.731 -4.832 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.621 -3.648 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.701 -6.906 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.591 -5.723 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.131 -7.352 -3.066 1.00 0.00 H new ATOM 324 N CYS A 20 -7.141 -0.774 -1.358 1.00 0.00 N ATOM 325 CA CYS A 20 -8.549 -0.310 -1.573 1.00 0.00 C ATOM 326 C CYS A 20 -8.601 0.758 -2.670 1.00 0.00 C ATOM 327 O CYS A 20 -9.353 0.648 -3.620 1.00 0.00 O ATOM 328 CB CYS A 20 -8.989 0.281 -0.232 1.00 0.00 C ATOM 329 SG CYS A 20 -10.777 0.082 -0.042 1.00 0.00 S ATOM 0 H CYS A 20 -6.790 -0.660 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.200 -1.124 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.468 -0.217 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.723 1.337 -0.183 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.151 0.582 1.098 1.00 0.00 H new ATOM 335 N SER A 21 -7.806 1.790 -2.543 1.00 0.00 N ATOM 336 CA SER A 21 -7.803 2.878 -3.574 1.00 0.00 C ATOM 337 C SER A 21 -7.528 2.306 -4.971 1.00 0.00 C ATOM 338 O SER A 21 -7.892 2.896 -5.971 1.00 0.00 O ATOM 339 CB SER A 21 -6.676 3.824 -3.157 1.00 0.00 C ATOM 340 OG SER A 21 -6.815 5.056 -3.851 1.00 0.00 O ATOM 0 H SER A 21 -7.157 1.928 -1.769 1.00 0.00 H new ATOM 0 HA SER A 21 -8.767 3.384 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.708 3.994 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.708 3.375 -3.380 1.00 0.00 H new ATOM 0 HG SER A 21 -6.095 5.665 -3.584 1.00 0.00 H new ATOM 346 N GLU A 22 -6.882 1.168 -5.046 1.00 0.00 N ATOM 347 CA GLU A 22 -6.574 0.564 -6.377 1.00 0.00 C ATOM 348 C GLU A 22 -7.592 -0.525 -6.735 1.00 0.00 C ATOM 349 O GLU A 22 -7.803 -0.825 -7.894 1.00 0.00 O ATOM 350 CB GLU A 22 -5.182 -0.041 -6.220 1.00 0.00 C ATOM 351 CG GLU A 22 -4.122 1.014 -6.542 1.00 0.00 C ATOM 352 CD GLU A 22 -4.210 1.396 -8.021 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.785 0.601 -8.843 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.700 2.475 -8.306 1.00 0.00 O ATOM 0 H GLU A 22 -6.555 0.632 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.618 1.303 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.047 -0.407 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.070 -0.898 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.271 1.896 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.129 0.627 -6.314 1.00 0.00 H new ATOM 361 N TYR A 23 -8.217 -1.124 -5.750 1.00 0.00 N ATOM 362 CA TYR A 23 -9.214 -2.201 -6.038 1.00 0.00 C ATOM 363 C TYR A 23 -10.610 -1.604 -6.250 1.00 0.00 C ATOM 364 O TYR A 23 -11.372 -2.077 -7.071 1.00 0.00 O ATOM 365 CB TYR A 23 -9.194 -3.107 -4.804 1.00 0.00 C ATOM 366 CG TYR A 23 -8.360 -4.336 -5.093 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.975 -4.219 -5.258 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.975 -5.589 -5.200 1.00 0.00 C ATOM 369 CE1 TYR A 23 -6.204 -5.355 -5.530 1.00 0.00 C ATOM 370 CE2 TYR A 23 -8.204 -6.725 -5.473 1.00 0.00 C ATOM 371 CZ TYR A 23 -6.818 -6.609 -5.638 1.00 0.00 C ATOM 372 OH TYR A 23 -6.058 -7.728 -5.907 1.00 0.00 O ATOM 0 H TYR A 23 -8.080 -0.914 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.970 -2.749 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.783 -2.568 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.210 -3.398 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.501 -3.252 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.044 -5.679 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.135 -5.264 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.678 -7.692 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.639 -8.516 -5.948 1.00 0.00 H new ATOM 382 N ARG A 24 -10.950 -0.570 -5.516 1.00 0.00 N ATOM 383 CA ARG A 24 -12.296 0.065 -5.670 1.00 0.00 C ATOM 384 C ARG A 24 -12.639 0.338 -7.145 1.00 0.00 C ATOM 385 O ARG A 24 -13.694 -0.062 -7.584 1.00 0.00 O ATOM 386 CB ARG A 24 -12.225 1.377 -4.894 1.00 0.00 C ATOM 387 CG ARG A 24 -12.220 1.083 -3.392 1.00 0.00 C ATOM 388 CD ARG A 24 -11.821 2.346 -2.624 1.00 0.00 C ATOM 389 NE ARG A 24 -12.688 2.347 -1.414 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.216 3.463 -0.990 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.075 4.103 -1.735 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.884 3.939 0.179 1.00 0.00 N ATOM 0 H ARG A 24 -10.349 -0.138 -4.814 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.077 -0.597 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.325 1.927 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.076 2.009 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.207 0.748 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.522 0.275 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.765 2.327 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.980 3.241 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.870 1.475 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.334 3.731 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.487 4.975 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.212 3.439 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.296 4.811 0.510 1.00 0.00 H new ATOM 406 N PRO A 25 -11.749 0.995 -7.878 1.00 0.00 N ATOM 407 CA PRO A 25 -12.025 1.285 -9.318 1.00 0.00 C ATOM 408 C PRO A 25 -12.221 -0.021 -10.085 1.00 0.00 C ATOM 409 O PRO A 25 -12.956 -0.077 -11.054 1.00 0.00 O ATOM 410 CB PRO A 25 -10.787 2.055 -9.778 1.00 0.00 C ATOM 411 CG PRO A 25 -9.724 1.663 -8.810 1.00 0.00 C ATOM 412 CD PRO A 25 -10.422 1.508 -7.485 1.00 0.00 C ATOM 0 HA PRO A 25 -12.936 1.859 -9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.512 1.791 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.960 3.131 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.243 0.732 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.944 2.422 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.897 0.814 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.495 2.456 -6.952 1.00 0.00 H new ATOM 420 N LYS A 26 -11.598 -1.079 -9.635 1.00 0.00 N ATOM 421 CA LYS A 26 -11.778 -2.399 -10.308 1.00 0.00 C ATOM 422 C LYS A 26 -13.214 -2.864 -10.082 1.00 0.00 C ATOM 423 O LYS A 26 -13.889 -3.321 -10.985 1.00 0.00 O ATOM 424 CB LYS A 26 -10.815 -3.344 -9.598 1.00 0.00 C ATOM 425 CG LYS A 26 -10.568 -4.578 -10.469 1.00 0.00 C ATOM 426 CD LYS A 26 -11.729 -5.560 -10.305 1.00 0.00 C ATOM 427 CE LYS A 26 -11.316 -6.932 -10.840 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.530 -7.783 -10.695 1.00 0.00 N ATOM 0 H LYS A 26 -10.972 -1.086 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.588 -2.359 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.873 -2.835 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.228 -3.643 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.471 -4.285 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.631 -5.056 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.009 -5.637 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.605 -5.197 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.999 -6.871 -11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.478 -7.340 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.325 -8.742 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.804 -7.828 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.309 -7.374 -11.249 1.00 0.00 H new ATOM 442 N ILE A 27 -13.678 -2.731 -8.868 1.00 0.00 N ATOM 443 CA ILE A 27 -15.075 -3.141 -8.531 1.00 0.00 C ATOM 444 C ILE A 27 -16.072 -2.348 -9.386 1.00 0.00 C ATOM 445 O ILE A 27 -17.200 -2.759 -9.570 1.00 0.00 O ATOM 446 CB ILE A 27 -15.257 -2.763 -7.047 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.254 -3.530 -6.168 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.688 -3.082 -6.591 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.508 -5.035 -6.257 1.00 0.00 C ATOM 0 H ILE A 27 -13.144 -2.352 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.246 -4.202 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.075 -1.694 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.236 -3.307 -6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.342 -3.201 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.804 -2.811 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.397 -2.514 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.880 -4.148 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.790 -5.563 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.519 -5.254 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.396 -5.362 -7.291 1.00 0.00 H new ATOM 461 N LYS A 28 -15.676 -1.197 -9.871 1.00 0.00 N ATOM 462 CA LYS A 28 -16.622 -0.357 -10.668 1.00 0.00 C ATOM 463 C LYS A 28 -16.640 -0.825 -12.124 1.00 0.00 C ATOM 464 O LYS A 28 -17.679 -0.856 -12.759 1.00 0.00 O ATOM 465 CB LYS A 28 -16.128 1.109 -10.575 1.00 0.00 C ATOM 466 CG LYS A 28 -15.480 1.451 -9.213 1.00 0.00 C ATOM 467 CD LYS A 28 -16.274 0.902 -8.011 1.00 0.00 C ATOM 468 CE LYS A 28 -17.722 1.395 -8.071 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.655 2.831 -7.683 1.00 0.00 N ATOM 0 H LYS A 28 -14.742 -0.804 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.637 -0.441 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.405 1.293 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.969 1.780 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.468 1.047 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.394 2.534 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.252 -0.188 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.809 1.225 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.139 1.275 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.360 0.831 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.259 2.995 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.673 3.083 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.987 3.420 -8.473 1.00 0.00 H new ATOM 483 N SER A 29 -15.502 -1.197 -12.659 1.00 0.00 N ATOM 484 CA SER A 29 -15.455 -1.674 -14.079 1.00 0.00 C ATOM 485 C SER A 29 -16.398 -2.868 -14.265 1.00 0.00 C ATOM 486 O SER A 29 -16.898 -3.115 -15.346 1.00 0.00 O ATOM 487 CB SER A 29 -14.005 -2.097 -14.316 1.00 0.00 C ATOM 488 OG SER A 29 -13.820 -2.389 -15.695 1.00 0.00 O ATOM 0 H SER A 29 -14.604 -1.191 -12.175 1.00 0.00 H new ATOM 0 HA SER A 29 -15.771 -0.902 -14.781 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.327 -1.302 -14.007 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.766 -2.972 -13.712 1.00 0.00 H new ATOM 0 HG SER A 29 -12.891 -2.659 -15.850 1.00 0.00 H new ATOM 494 N GLU A 30 -16.646 -3.604 -13.209 1.00 0.00 N ATOM 495 CA GLU A 30 -17.558 -4.779 -13.301 1.00 0.00 C ATOM 496 C GLU A 30 -18.867 -4.480 -12.566 1.00 0.00 C ATOM 497 O GLU A 30 -19.944 -4.716 -13.078 1.00 0.00 O ATOM 498 CB GLU A 30 -16.802 -5.917 -12.612 1.00 0.00 C ATOM 499 CG GLU A 30 -16.163 -6.824 -13.667 1.00 0.00 C ATOM 500 CD GLU A 30 -17.240 -7.699 -14.310 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.658 -8.653 -13.675 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.630 -7.400 -15.426 1.00 0.00 O ATOM 0 H GLU A 30 -16.252 -3.437 -12.283 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.818 -5.028 -14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.034 -5.510 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.484 -6.494 -11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.668 -6.221 -14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.398 -7.450 -13.208 1.00 0.00 H new ATOM 509 N HIS A 31 -18.775 -3.975 -11.362 1.00 0.00 N ATOM 510 CA HIS A 31 -20.005 -3.664 -10.568 1.00 0.00 C ATOM 511 C HIS A 31 -20.263 -2.148 -10.585 1.00 0.00 C ATOM 512 O HIS A 31 -19.593 -1.412 -9.887 1.00 0.00 O ATOM 513 CB HIS A 31 -19.728 -4.119 -9.120 1.00 0.00 C ATOM 514 CG HIS A 31 -19.041 -5.463 -9.095 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.662 -5.581 -9.153 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.526 -6.745 -9.022 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.365 -6.890 -9.114 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.464 -7.646 -9.033 1.00 0.00 N ATOM 0 H HIS A 31 -17.895 -3.763 -10.891 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.877 -4.169 -10.983 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.106 -3.380 -8.616 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.666 -4.176 -8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.570 -7.014 -8.965 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.360 -7.284 -9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.514 -8.664 -8.989 1.00 0.00 H new ATOM 526 N PRO A 32 -21.222 -1.720 -11.374 1.00 0.00 N ATOM 527 CA PRO A 32 -21.537 -0.278 -11.447 1.00 0.00 C ATOM 528 C PRO A 32 -22.429 0.121 -10.274 1.00 0.00 C ATOM 529 O PRO A 32 -22.243 1.160 -9.667 1.00 0.00 O ATOM 530 CB PRO A 32 -22.269 -0.139 -12.776 1.00 0.00 C ATOM 531 CG PRO A 32 -22.839 -1.493 -13.074 1.00 0.00 C ATOM 532 CD PRO A 32 -22.093 -2.512 -12.252 1.00 0.00 C ATOM 0 HA PRO A 32 -20.659 0.365 -11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.057 0.611 -12.711 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.589 0.181 -13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.902 -1.518 -12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.745 -1.719 -14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.778 -3.133 -11.674 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.512 -3.183 -12.885 1.00 0.00 H new ATOM 540 N GLY A 33 -23.383 -0.708 -9.943 1.00 0.00 N ATOM 541 CA GLY A 33 -24.282 -0.399 -8.798 1.00 0.00 C ATOM 542 C GLY A 33 -23.469 -0.392 -7.497 1.00 0.00 C ATOM 543 O GLY A 33 -23.855 0.220 -6.523 1.00 0.00 O ATOM 0 H GLY A 33 -23.577 -1.589 -10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.758 0.570 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.079 -1.140 -8.737 1.00 0.00 H new ATOM 547 N LEU A 34 -22.344 -1.073 -7.480 1.00 0.00 N ATOM 548 CA LEU A 34 -21.485 -1.119 -6.245 1.00 0.00 C ATOM 549 C LEU A 34 -21.195 0.299 -5.725 1.00 0.00 C ATOM 550 O LEU A 34 -20.238 0.932 -6.130 1.00 0.00 O ATOM 551 CB LEU A 34 -20.178 -1.804 -6.697 1.00 0.00 C ATOM 552 CG LEU A 34 -19.981 -3.139 -5.960 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.769 -2.875 -4.467 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.209 -4.043 -6.157 1.00 0.00 C ATOM 0 H LEU A 34 -21.981 -1.602 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.973 -1.654 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.206 -1.977 -7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.331 -1.147 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.105 -3.642 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.630 -3.822 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.885 -2.252 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.641 -2.363 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.056 -4.985 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.094 -3.545 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.349 -4.241 -7.220 1.00 0.00 H new ATOM 566 N SER A 35 -22.016 0.793 -4.833 1.00 0.00 N ATOM 567 CA SER A 35 -21.796 2.166 -4.280 1.00 0.00 C ATOM 568 C SER A 35 -20.624 2.146 -3.298 1.00 0.00 C ATOM 569 O SER A 35 -20.080 1.101 -3.003 1.00 0.00 O ATOM 570 CB SER A 35 -23.096 2.522 -3.560 1.00 0.00 C ATOM 571 OG SER A 35 -24.162 2.544 -4.499 1.00 0.00 O ATOM 0 H SER A 35 -22.831 0.304 -4.463 1.00 0.00 H new ATOM 0 HA SER A 35 -21.555 2.893 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.302 1.794 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.003 3.494 -3.076 1.00 0.00 H new ATOM 0 HG SER A 35 -24.998 2.770 -4.040 1.00 0.00 H new ATOM 577 N ILE A 36 -20.232 3.287 -2.786 1.00 0.00 N ATOM 578 CA ILE A 36 -19.090 3.320 -1.817 1.00 0.00 C ATOM 579 C ILE A 36 -19.428 2.455 -0.593 1.00 0.00 C ATOM 580 O ILE A 36 -18.557 1.858 0.011 1.00 0.00 O ATOM 581 CB ILE A 36 -18.904 4.805 -1.444 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.195 5.527 -2.596 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.039 4.936 -0.181 1.00 0.00 C ATOM 584 CD1 ILE A 36 -19.221 5.998 -3.627 1.00 0.00 C ATOM 0 H ILE A 36 -20.650 4.193 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.168 2.916 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.884 5.245 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.635 6.380 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.474 4.858 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.917 5.990 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.524 4.420 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.061 4.491 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.709 6.510 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.762 5.138 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -19.925 6.683 -3.154 1.00 0.00 H new ATOM 596 N GLY A 37 -20.685 2.379 -0.231 1.00 0.00 N ATOM 597 CA GLY A 37 -21.081 1.545 0.945 1.00 0.00 C ATOM 598 C GLY A 37 -20.660 0.096 0.693 1.00 0.00 C ATOM 599 O GLY A 37 -19.850 -0.458 1.411 1.00 0.00 O ATOM 0 H GLY A 37 -21.454 2.859 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.607 1.923 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.158 1.602 1.101 1.00 0.00 H new ATOM 603 N ASP A 38 -21.191 -0.508 -0.336 1.00 0.00 N ATOM 604 CA ASP A 38 -20.817 -1.917 -0.660 1.00 0.00 C ATOM 605 C ASP A 38 -19.387 -1.970 -1.201 1.00 0.00 C ATOM 606 O ASP A 38 -18.650 -2.881 -0.912 1.00 0.00 O ATOM 607 CB ASP A 38 -21.814 -2.359 -1.735 1.00 0.00 C ATOM 608 CG ASP A 38 -21.894 -3.886 -1.763 1.00 0.00 C ATOM 609 OD1 ASP A 38 -21.776 -4.486 -0.706 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.072 -4.431 -2.840 1.00 0.00 O ATOM 0 H ASP A 38 -21.870 -0.085 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.852 -2.565 0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.798 -1.937 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.504 -1.983 -2.710 1.00 0.00 H new ATOM 615 N THR A 39 -18.977 -0.980 -1.954 1.00 0.00 N ATOM 616 CA THR A 39 -17.579 -0.982 -2.489 1.00 0.00 C ATOM 617 C THR A 39 -16.580 -0.884 -1.332 1.00 0.00 C ATOM 618 O THR A 39 -15.474 -1.384 -1.415 1.00 0.00 O ATOM 619 CB THR A 39 -17.484 0.241 -3.409 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.394 0.087 -4.489 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.061 0.366 -3.963 1.00 0.00 C ATOM 0 H THR A 39 -19.545 -0.175 -2.220 1.00 0.00 H new ATOM 0 HA THR A 39 -17.346 -1.897 -3.033 1.00 0.00 H new ATOM 0 HB THR A 39 -17.730 1.138 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.060 0.805 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.000 1.237 -4.616 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.358 0.481 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.811 -0.531 -4.530 1.00 0.00 H new ATOM 629 N ALA A 40 -16.964 -0.244 -0.260 1.00 0.00 N ATOM 630 CA ALA A 40 -16.041 -0.110 0.906 1.00 0.00 C ATOM 631 C ALA A 40 -15.960 -1.434 1.673 1.00 0.00 C ATOM 632 O ALA A 40 -14.913 -1.808 2.167 1.00 0.00 O ATOM 633 CB ALA A 40 -16.658 0.979 1.785 1.00 0.00 C ATOM 0 H ALA A 40 -17.878 0.193 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.027 0.143 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.033 1.134 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.725 1.908 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.656 0.672 2.098 1.00 0.00 H new ATOM 639 N LYS A 41 -17.062 -2.133 1.792 1.00 0.00 N ATOM 640 CA LYS A 41 -17.056 -3.424 2.550 1.00 0.00 C ATOM 641 C LYS A 41 -16.881 -4.637 1.618 1.00 0.00 C ATOM 642 O LYS A 41 -16.601 -5.730 2.077 1.00 0.00 O ATOM 643 CB LYS A 41 -18.408 -3.476 3.280 1.00 0.00 C ATOM 644 CG LYS A 41 -19.559 -3.608 2.278 1.00 0.00 C ATOM 645 CD LYS A 41 -20.894 -3.405 2.997 1.00 0.00 C ATOM 646 CE LYS A 41 -21.055 -1.931 3.383 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.645 -1.952 4.750 1.00 0.00 N ATOM 0 H LYS A 41 -17.964 -1.867 1.398 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.217 -3.468 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.422 -4.319 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.540 -2.573 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.448 -2.871 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.534 -4.591 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.716 -3.713 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.937 -4.031 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.095 -1.414 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.704 -1.408 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.785 -0.977 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.561 -2.444 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.002 -2.450 5.398 1.00 0.00 H new ATOM 661 N LYS A 42 -17.034 -4.466 0.325 1.00 0.00 N ATOM 662 CA LYS A 42 -16.864 -5.625 -0.612 1.00 0.00 C ATOM 663 C LYS A 42 -15.386 -5.797 -0.998 1.00 0.00 C ATOM 664 O LYS A 42 -15.048 -6.641 -1.806 1.00 0.00 O ATOM 665 CB LYS A 42 -17.710 -5.257 -1.837 1.00 0.00 C ATOM 666 CG LYS A 42 -17.922 -6.472 -2.732 1.00 0.00 C ATOM 667 CD LYS A 42 -19.026 -7.353 -2.130 1.00 0.00 C ATOM 668 CE LYS A 42 -18.403 -8.606 -1.506 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.871 -9.739 -2.354 1.00 0.00 N ATOM 0 H LYS A 42 -17.268 -3.579 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.175 -6.570 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.674 -4.865 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.217 -4.466 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.200 -6.155 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.995 -7.039 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.579 -6.795 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.740 -7.637 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.315 -8.543 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.722 -8.731 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.483 -10.631 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.910 -9.780 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.547 -9.598 -3.332 1.00 0.00 H new ATOM 683 N LEU A 43 -14.503 -5.015 -0.419 1.00 0.00 N ATOM 684 CA LEU A 43 -13.053 -5.144 -0.745 1.00 0.00 C ATOM 685 C LEU A 43 -12.322 -5.801 0.429 1.00 0.00 C ATOM 686 O LEU A 43 -11.376 -6.543 0.249 1.00 0.00 O ATOM 687 CB LEU A 43 -12.559 -3.712 -0.944 1.00 0.00 C ATOM 688 CG LEU A 43 -13.118 -3.157 -2.255 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.820 -1.660 -2.341 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.458 -3.876 -3.434 1.00 0.00 C ATOM 0 H LEU A 43 -14.729 -4.293 0.266 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.876 -5.758 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.875 -3.088 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.469 -3.691 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.196 -3.316 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.218 -1.263 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.287 -1.147 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.742 -1.501 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.855 -3.482 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.380 -3.715 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.668 -4.944 -3.372 1.00 0.00 H new ATOM 702 N GLY A 44 -12.759 -5.521 1.632 1.00 0.00 N ATOM 703 CA GLY A 44 -12.101 -6.112 2.835 1.00 0.00 C ATOM 704 C GLY A 44 -12.281 -7.631 2.830 1.00 0.00 C ATOM 705 O GLY A 44 -11.429 -8.364 3.295 1.00 0.00 O ATOM 0 H GLY A 44 -13.547 -4.905 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.040 -5.862 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.533 -5.688 3.742 1.00 0.00 H new ATOM 709 N GLU A 45 -13.388 -8.111 2.312 1.00 0.00 N ATOM 710 CA GLU A 45 -13.636 -9.591 2.278 1.00 0.00 C ATOM 711 C GLU A 45 -12.439 -10.330 1.665 1.00 0.00 C ATOM 712 O GLU A 45 -12.114 -11.436 2.058 1.00 0.00 O ATOM 713 CB GLU A 45 -14.877 -9.770 1.402 1.00 0.00 C ATOM 714 CG GLU A 45 -15.428 -11.186 1.580 1.00 0.00 C ATOM 715 CD GLU A 45 -16.781 -11.300 0.875 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.786 -11.560 -0.317 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.789 -11.126 1.540 1.00 0.00 O ATOM 0 H GLU A 45 -14.132 -7.541 1.910 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.777 -9.999 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.636 -9.036 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.625 -9.595 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.729 -11.914 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.538 -11.414 2.640 1.00 0.00 H new ATOM 724 N MET A 46 -11.781 -9.720 0.713 1.00 0.00 N ATOM 725 CA MET A 46 -10.600 -10.373 0.074 1.00 0.00 C ATOM 726 C MET A 46 -9.334 -10.052 0.870 1.00 0.00 C ATOM 727 O MET A 46 -8.486 -10.901 1.075 1.00 0.00 O ATOM 728 CB MET A 46 -10.519 -9.766 -1.327 1.00 0.00 C ATOM 729 CG MET A 46 -11.788 -10.109 -2.109 1.00 0.00 C ATOM 730 SD MET A 46 -11.712 -9.341 -3.747 1.00 0.00 S ATOM 731 CE MET A 46 -13.496 -9.193 -4.010 1.00 0.00 C ATOM 0 H MET A 46 -12.012 -8.795 0.350 1.00 0.00 H new ATOM 0 HA MET A 46 -10.693 -11.458 0.041 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.403 -8.684 -1.259 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.643 -10.149 -1.850 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.887 -11.190 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.667 -9.756 -1.570 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.684 -8.735 -4.981 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.951 -10.183 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.929 -8.572 -3.226 1.00 0.00 H new ATOM 741 N TRP A 47 -9.201 -8.828 1.318 1.00 0.00 N ATOM 742 CA TRP A 47 -7.987 -8.435 2.103 1.00 0.00 C ATOM 743 C TRP A 47 -7.811 -9.342 3.327 1.00 0.00 C ATOM 744 O TRP A 47 -6.717 -9.494 3.838 1.00 0.00 O ATOM 745 CB TRP A 47 -8.239 -6.992 2.544 1.00 0.00 C ATOM 746 CG TRP A 47 -7.002 -6.448 3.184 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.865 -6.171 4.501 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.728 -6.115 2.561 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.588 -5.688 4.727 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.849 -5.635 3.561 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.255 -6.182 1.238 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.546 -5.236 3.259 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.944 -5.780 0.931 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.092 -5.309 1.940 1.00 0.00 C ATOM 0 H TRP A 47 -9.881 -8.082 1.174 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.078 -8.530 1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.517 -6.381 1.686 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.072 -6.954 3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.628 -6.305 5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.236 -5.406 5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.903 -6.544 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.894 -4.873 4.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.591 -5.834 -0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.085 -5.003 1.698 1.00 0.00 H new ATOM 765 N SER A 48 -8.875 -9.944 3.797 1.00 0.00 N ATOM 766 CA SER A 48 -8.767 -10.842 4.986 1.00 0.00 C ATOM 767 C SER A 48 -8.364 -12.251 4.545 1.00 0.00 C ATOM 768 O SER A 48 -7.620 -12.933 5.226 1.00 0.00 O ATOM 769 CB SER A 48 -10.164 -10.852 5.604 1.00 0.00 C ATOM 770 OG SER A 48 -10.121 -11.533 6.851 1.00 0.00 O ATOM 0 H SER A 48 -9.813 -9.852 3.408 1.00 0.00 H new ATOM 0 HA SER A 48 -8.012 -10.502 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.519 -9.831 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.868 -11.343 4.932 1.00 0.00 H new ATOM 0 HG SER A 48 -11.016 -11.540 7.251 1.00 0.00 H new ATOM 776 N GLU A 49 -8.848 -12.687 3.410 1.00 0.00 N ATOM 777 CA GLU A 49 -8.492 -14.053 2.914 1.00 0.00 C ATOM 778 C GLU A 49 -6.987 -14.134 2.652 1.00 0.00 C ATOM 779 O GLU A 49 -6.372 -15.169 2.827 1.00 0.00 O ATOM 780 CB GLU A 49 -9.274 -14.227 1.610 1.00 0.00 C ATOM 781 CG GLU A 49 -10.752 -14.461 1.928 1.00 0.00 C ATOM 782 CD GLU A 49 -11.446 -15.070 0.709 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.791 -14.320 -0.190 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.621 -16.278 0.693 1.00 0.00 O ATOM 0 H GLU A 49 -9.475 -12.157 2.804 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.737 -14.832 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.161 -13.341 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.875 -15.069 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.849 -15.127 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.230 -13.520 2.199 1.00 0.00 H new ATOM 791 N GLN A 50 -6.393 -13.044 2.236 1.00 0.00 N ATOM 792 CA GLN A 50 -4.925 -13.042 1.961 1.00 0.00 C ATOM 793 C GLN A 50 -4.147 -13.286 3.255 1.00 0.00 C ATOM 794 O GLN A 50 -4.581 -12.915 4.330 1.00 0.00 O ATOM 795 CB GLN A 50 -4.618 -11.649 1.406 1.00 0.00 C ATOM 796 CG GLN A 50 -5.328 -11.465 0.064 1.00 0.00 C ATOM 797 CD GLN A 50 -4.474 -12.071 -1.051 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.118 -13.231 -1.000 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.127 -11.327 -2.067 1.00 0.00 N ATOM 0 H GLN A 50 -6.863 -12.153 2.075 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.638 -13.827 1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.946 -10.885 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.542 -11.525 1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.306 -11.945 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.497 -10.405 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.425 -10.353 -2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.558 -11.720 -2.816 1.00 0.00 H new ATOM 808 N SER A 51 -2.998 -13.900 3.154 1.00 0.00 N ATOM 809 CA SER A 51 -2.175 -14.169 4.369 1.00 0.00 C ATOM 810 C SER A 51 -0.999 -13.189 4.418 1.00 0.00 C ATOM 811 O SER A 51 -1.074 -12.099 3.881 1.00 0.00 O ATOM 812 CB SER A 51 -1.682 -15.607 4.198 1.00 0.00 C ATOM 813 OG SER A 51 -2.787 -16.450 3.900 1.00 0.00 O ATOM 0 H SER A 51 -2.592 -14.228 2.278 1.00 0.00 H new ATOM 0 HA SER A 51 -2.734 -14.045 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.945 -15.658 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.187 -15.945 5.109 1.00 0.00 H new ATOM 0 HG SER A 51 -2.474 -17.372 3.788 1.00 0.00 H new ATOM 819 N ALA A 52 0.086 -13.566 5.047 1.00 0.00 N ATOM 820 CA ALA A 52 1.267 -12.653 5.121 1.00 0.00 C ATOM 821 C ALA A 52 2.072 -12.734 3.819 1.00 0.00 C ATOM 822 O ALA A 52 3.245 -13.061 3.823 1.00 0.00 O ATOM 823 CB ALA A 52 2.093 -13.166 6.301 1.00 0.00 C ATOM 0 H ALA A 52 0.205 -14.466 5.512 1.00 0.00 H new ATOM 0 HA ALA A 52 0.980 -11.610 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.981 -12.545 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.494 -13.122 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.394 -14.197 6.114 1.00 0.00 H new ATOM 829 N LYS A 53 1.448 -12.441 2.703 1.00 0.00 N ATOM 830 CA LYS A 53 2.169 -12.503 1.397 1.00 0.00 C ATOM 831 C LYS A 53 1.826 -11.279 0.542 1.00 0.00 C ATOM 832 O LYS A 53 2.700 -10.605 0.033 1.00 0.00 O ATOM 833 CB LYS A 53 1.662 -13.781 0.728 1.00 0.00 C ATOM 834 CG LYS A 53 2.808 -14.452 -0.031 1.00 0.00 C ATOM 835 CD LYS A 53 2.421 -15.892 -0.374 1.00 0.00 C ATOM 836 CE LYS A 53 3.659 -16.654 -0.854 1.00 0.00 C ATOM 837 NZ LYS A 53 3.239 -18.082 -0.898 1.00 0.00 N ATOM 0 H LYS A 53 0.469 -12.161 2.643 1.00 0.00 H new ATOM 0 HA LYS A 53 3.252 -12.508 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.262 -14.462 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.847 -13.546 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.028 -13.897 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.714 -14.442 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.995 -16.383 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.654 -15.899 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.980 -16.307 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.499 -16.510 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.036 -18.668 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.945 -18.387 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.442 -18.189 -1.558 1.00 0.00 H new ATOM 851 N ASP A 54 0.559 -10.995 0.378 1.00 0.00 N ATOM 852 CA ASP A 54 0.149 -9.818 -0.450 1.00 0.00 C ATOM 853 C ASP A 54 0.509 -8.508 0.255 1.00 0.00 C ATOM 854 O ASP A 54 0.736 -7.498 -0.385 1.00 0.00 O ATOM 855 CB ASP A 54 -1.369 -9.941 -0.602 1.00 0.00 C ATOM 856 CG ASP A 54 -1.844 -9.040 -1.743 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.046 -7.862 -1.497 1.00 0.00 O ATOM 858 OD2 ASP A 54 -1.997 -9.542 -2.844 1.00 0.00 O ATOM 0 H ASP A 54 -0.211 -11.528 0.782 1.00 0.00 H new ATOM 0 HA ASP A 54 0.658 -9.806 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.642 -10.977 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.862 -9.658 0.328 1.00 0.00 H new ATOM 863 N LYS A 55 0.558 -8.513 1.562 1.00 0.00 N ATOM 864 CA LYS A 55 0.897 -7.261 2.303 1.00 0.00 C ATOM 865 C LYS A 55 2.410 -7.025 2.303 1.00 0.00 C ATOM 866 O LYS A 55 2.861 -5.908 2.223 1.00 0.00 O ATOM 867 CB LYS A 55 0.394 -7.486 3.730 1.00 0.00 C ATOM 868 CG LYS A 55 0.556 -6.199 4.539 1.00 0.00 C ATOM 869 CD LYS A 55 -0.272 -6.294 5.821 1.00 0.00 C ATOM 870 CE LYS A 55 0.488 -7.120 6.862 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.163 -6.795 8.161 1.00 0.00 N ATOM 0 H LYS A 55 0.378 -9.329 2.148 1.00 0.00 H new ATOM 0 HA LYS A 55 0.441 -6.385 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.653 -7.788 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.952 -8.296 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.606 -6.040 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.233 -5.342 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.474 -5.296 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.237 -6.755 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.423 -8.186 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.547 -6.861 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.304 -7.324 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.080 -5.775 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.168 -7.059 8.121 1.00 0.00 H new ATOM 885 N GLN A 56 3.191 -8.072 2.418 1.00 0.00 N ATOM 886 CA GLN A 56 4.691 -7.923 2.453 1.00 0.00 C ATOM 887 C GLN A 56 5.213 -6.933 1.385 1.00 0.00 C ATOM 888 O GLN A 56 5.947 -6.022 1.711 1.00 0.00 O ATOM 889 CB GLN A 56 5.229 -9.329 2.177 1.00 0.00 C ATOM 890 CG GLN A 56 5.598 -10.011 3.497 1.00 0.00 C ATOM 891 CD GLN A 56 6.906 -9.421 4.028 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.894 -8.530 4.854 1.00 0.00 O ATOM 893 NE2 GLN A 56 8.044 -9.884 3.585 1.00 0.00 N ATOM 0 H GLN A 56 2.856 -9.033 2.490 1.00 0.00 H new ATOM 0 HA GLN A 56 5.019 -7.519 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.479 -9.918 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.104 -9.273 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.801 -9.870 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.706 -11.085 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.055 -10.632 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.922 -9.498 3.932 1.00 0.00 H new ATOM 902 N PRO A 57 4.838 -7.143 0.142 1.00 0.00 N ATOM 903 CA PRO A 57 5.307 -6.245 -0.945 1.00 0.00 C ATOM 904 C PRO A 57 4.532 -4.917 -0.961 1.00 0.00 C ATOM 905 O PRO A 57 5.083 -3.874 -1.256 1.00 0.00 O ATOM 906 CB PRO A 57 5.014 -7.036 -2.213 1.00 0.00 C ATOM 907 CG PRO A 57 3.890 -7.952 -1.852 1.00 0.00 C ATOM 908 CD PRO A 57 3.969 -8.213 -0.369 1.00 0.00 C ATOM 0 HA PRO A 57 6.357 -5.975 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.735 -6.375 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.890 -7.597 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.932 -7.502 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.964 -8.886 -2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.983 -8.180 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.386 -9.198 -0.160 1.00 0.00 H new ATOM 916 N TYR A 58 3.255 -4.958 -0.684 1.00 0.00 N ATOM 917 CA TYR A 58 2.426 -3.707 -0.722 1.00 0.00 C ATOM 918 C TYR A 58 2.558 -2.884 0.576 1.00 0.00 C ATOM 919 O TYR A 58 2.162 -1.734 0.623 1.00 0.00 O ATOM 920 CB TYR A 58 0.983 -4.207 -0.901 1.00 0.00 C ATOM 921 CG TYR A 58 0.349 -3.536 -2.098 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.629 -4.001 -3.388 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.518 -2.451 -1.918 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.042 -3.382 -4.499 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.104 -1.832 -3.028 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.824 -2.298 -4.318 1.00 0.00 C ATOM 927 OH TYR A 58 -1.402 -1.687 -5.412 1.00 0.00 O ATOM 0 H TYR A 58 2.745 -5.805 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 58 2.747 -3.040 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.978 -5.289 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.402 -3.994 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.298 -4.837 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.734 -2.092 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.258 -3.741 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.772 -0.995 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.977 -0.953 -5.111 1.00 0.00 H new ATOM 937 N GLU A 59 3.086 -3.463 1.625 1.00 0.00 N ATOM 938 CA GLU A 59 3.214 -2.714 2.915 1.00 0.00 C ATOM 939 C GLU A 59 4.475 -1.834 2.921 1.00 0.00 C ATOM 940 O GLU A 59 4.541 -0.845 3.628 1.00 0.00 O ATOM 941 CB GLU A 59 3.281 -3.798 4.006 1.00 0.00 C ATOM 942 CG GLU A 59 4.586 -4.603 3.892 1.00 0.00 C ATOM 943 CD GLU A 59 5.546 -4.195 5.013 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.279 -4.544 6.151 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.532 -3.541 4.712 1.00 0.00 O ATOM 0 H GLU A 59 3.434 -4.422 1.645 1.00 0.00 H new ATOM 0 HA GLU A 59 2.377 -2.034 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.218 -3.335 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.426 -4.467 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.372 -5.670 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.050 -4.426 2.921 1.00 0.00 H new ATOM 952 N GLN A 60 5.468 -2.186 2.145 1.00 0.00 N ATOM 953 CA GLN A 60 6.722 -1.369 2.111 1.00 0.00 C ATOM 954 C GLN A 60 6.542 -0.129 1.225 1.00 0.00 C ATOM 955 O GLN A 60 7.272 0.836 1.349 1.00 0.00 O ATOM 956 CB GLN A 60 7.804 -2.294 1.541 1.00 0.00 C ATOM 957 CG GLN A 60 7.399 -2.785 0.150 1.00 0.00 C ATOM 958 CD GLN A 60 8.644 -3.238 -0.614 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.335 -4.144 -0.192 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.963 -2.640 -1.730 1.00 0.00 N ATOM 0 H GLN A 60 5.466 -3.002 1.534 1.00 0.00 H new ATOM 0 HA GLN A 60 6.989 -1.004 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.754 -1.763 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.953 -3.145 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.692 -3.610 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.894 -1.988 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.383 -1.879 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.792 -2.933 -2.247 1.00 0.00 H new ATOM 969 N LYS A 61 5.578 -0.147 0.336 1.00 0.00 N ATOM 970 CA LYS A 61 5.356 1.035 -0.555 1.00 0.00 C ATOM 971 C LYS A 61 4.971 2.258 0.277 1.00 0.00 C ATOM 972 O LYS A 61 5.530 3.327 0.114 1.00 0.00 O ATOM 973 CB LYS A 61 4.210 0.626 -1.489 1.00 0.00 C ATOM 974 CG LYS A 61 3.887 1.772 -2.452 1.00 0.00 C ATOM 975 CD LYS A 61 3.029 1.246 -3.603 1.00 0.00 C ATOM 976 CE LYS A 61 3.206 2.147 -4.826 1.00 0.00 C ATOM 977 NZ LYS A 61 2.449 3.389 -4.501 1.00 0.00 N ATOM 0 H LYS A 61 4.937 -0.927 0.189 1.00 0.00 H new ATOM 0 HA LYS A 61 6.252 1.305 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.488 -0.265 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.326 0.371 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.359 2.566 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.809 2.205 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.317 0.223 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.980 1.220 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.259 2.363 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.817 1.672 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.394 3.993 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.488 3.139 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.936 3.903 -3.739 1.00 0.00 H new ATOM 991 N ALA A 62 4.032 2.109 1.175 1.00 0.00 N ATOM 992 CA ALA A 62 3.624 3.261 2.028 1.00 0.00 C ATOM 993 C ALA A 62 4.606 3.435 3.193 1.00 0.00 C ATOM 994 O ALA A 62 4.615 4.457 3.852 1.00 0.00 O ATOM 995 CB ALA A 62 2.229 2.906 2.545 1.00 0.00 C ATOM 0 H ALA A 62 3.531 1.239 1.353 1.00 0.00 H new ATOM 0 HA ALA A 62 3.622 4.200 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.862 3.710 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.551 2.773 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.278 1.981 3.120 1.00 0.00 H new ATOM 1001 N ALA A 63 5.449 2.455 3.439 1.00 0.00 N ATOM 1002 CA ALA A 63 6.442 2.586 4.546 1.00 0.00 C ATOM 1003 C ALA A 63 7.385 3.750 4.239 1.00 0.00 C ATOM 1004 O ALA A 63 7.907 4.391 5.132 1.00 0.00 O ATOM 1005 CB ALA A 63 7.209 1.261 4.568 1.00 0.00 C ATOM 0 H ALA A 63 5.488 1.577 2.921 1.00 0.00 H new ATOM 0 HA ALA A 63 5.972 2.785 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.958 1.287 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.514 0.441 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.702 1.110 3.608 1.00 0.00 H new ATOM 1011 N LYS A 64 7.590 4.039 2.975 1.00 0.00 N ATOM 1012 CA LYS A 64 8.478 5.174 2.592 1.00 0.00 C ATOM 1013 C LYS A 64 7.687 6.486 2.684 1.00 0.00 C ATOM 1014 O LYS A 64 7.975 7.345 3.495 1.00 0.00 O ATOM 1015 CB LYS A 64 8.887 4.864 1.148 1.00 0.00 C ATOM 1016 CG LYS A 64 9.562 6.080 0.494 1.00 0.00 C ATOM 1017 CD LYS A 64 10.921 5.675 -0.082 1.00 0.00 C ATOM 1018 CE LYS A 64 10.711 4.779 -1.305 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.005 4.824 -2.041 1.00 0.00 N ATOM 0 H LYS A 64 7.177 3.533 2.192 1.00 0.00 H new ATOM 0 HA LYS A 64 9.349 5.286 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.569 4.014 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.008 4.577 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.926 6.478 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.691 6.874 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.488 6.563 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.505 5.148 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.460 3.760 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.891 5.142 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.940 4.233 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.215 5.805 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.765 4.466 -1.429 1.00 0.00 H new ATOM 1033 N LEU A 65 6.698 6.643 1.840 1.00 0.00 N ATOM 1034 CA LEU A 65 5.871 7.897 1.838 1.00 0.00 C ATOM 1035 C LEU A 65 5.405 8.285 3.250 1.00 0.00 C ATOM 1036 O LEU A 65 5.107 9.435 3.506 1.00 0.00 O ATOM 1037 CB LEU A 65 4.661 7.572 0.958 1.00 0.00 C ATOM 1038 CG LEU A 65 5.071 7.615 -0.518 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.353 6.195 -1.014 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.937 8.224 -1.347 1.00 0.00 C ATOM 0 H LEU A 65 6.423 5.950 1.144 1.00 0.00 H new ATOM 0 HA LEU A 65 6.450 8.744 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.271 6.586 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.861 8.288 1.144 1.00 0.00 H new ATOM 0 HG LEU A 65 5.969 8.223 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.644 6.227 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.161 5.758 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.455 5.587 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.229 8.254 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.039 7.616 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.734 9.236 -0.998 1.00 0.00 H new ATOM 1052 N LYS A 66 5.351 7.349 4.169 1.00 0.00 N ATOM 1053 CA LYS A 66 4.914 7.689 5.560 1.00 0.00 C ATOM 1054 C LYS A 66 5.933 8.629 6.210 1.00 0.00 C ATOM 1055 O LYS A 66 5.577 9.615 6.829 1.00 0.00 O ATOM 1056 CB LYS A 66 4.866 6.356 6.308 1.00 0.00 C ATOM 1057 CG LYS A 66 4.332 6.582 7.724 1.00 0.00 C ATOM 1058 CD LYS A 66 2.809 6.708 7.680 1.00 0.00 C ATOM 1059 CE LYS A 66 2.228 6.374 9.055 1.00 0.00 C ATOM 1060 NZ LYS A 66 0.833 5.926 8.785 1.00 0.00 N ATOM 0 H LYS A 66 5.590 6.369 4.016 1.00 0.00 H new ATOM 0 HA LYS A 66 3.948 8.195 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.227 5.651 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.862 5.915 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.620 5.753 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.770 7.485 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.526 7.720 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.400 6.034 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.805 5.592 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.243 7.244 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.368 5.679 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.306 6.693 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.850 5.093 8.163 1.00 0.00 H new ATOM 1074 N GLU A 67 7.197 8.324 6.073 1.00 0.00 N ATOM 1075 CA GLU A 67 8.258 9.188 6.680 1.00 0.00 C ATOM 1076 C GLU A 67 8.287 10.557 5.994 1.00 0.00 C ATOM 1077 O GLU A 67 8.194 11.584 6.640 1.00 0.00 O ATOM 1078 CB GLU A 67 9.572 8.444 6.439 1.00 0.00 C ATOM 1079 CG GLU A 67 9.739 7.345 7.492 1.00 0.00 C ATOM 1080 CD GLU A 67 11.094 6.661 7.305 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.297 6.067 6.259 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.905 6.741 8.213 1.00 0.00 O ATOM 0 H GLU A 67 7.544 7.510 5.565 1.00 0.00 H new ATOM 0 HA GLU A 67 8.080 9.366 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.577 8.008 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.410 9.139 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.670 7.772 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.935 6.614 7.401 1.00 0.00 H new ATOM 1089 N LYS A 68 8.420 10.578 4.690 1.00 0.00 N ATOM 1090 CA LYS A 68 8.461 11.882 3.952 1.00 0.00 C ATOM 1091 C LYS A 68 7.206 12.708 4.253 1.00 0.00 C ATOM 1092 O LYS A 68 7.237 13.924 4.244 1.00 0.00 O ATOM 1093 CB LYS A 68 8.511 11.505 2.469 1.00 0.00 C ATOM 1094 CG LYS A 68 9.930 11.066 2.103 1.00 0.00 C ATOM 1095 CD LYS A 68 9.995 10.736 0.610 1.00 0.00 C ATOM 1096 CE LYS A 68 11.451 10.765 0.143 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.456 10.021 -1.148 1.00 0.00 N ATOM 0 H LYS A 68 8.502 9.748 4.103 1.00 0.00 H new ATOM 0 HA LYS A 68 9.317 12.489 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.805 10.700 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.212 12.355 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.640 11.858 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.215 10.194 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.562 9.753 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.406 11.456 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.803 11.788 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.109 10.294 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.422 9.998 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.123 9.049 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.826 10.497 -1.825 1.00 0.00 H new ATOM 1111 N TYR A 69 6.107 12.053 4.524 1.00 0.00 N ATOM 1112 CA TYR A 69 4.846 12.788 4.835 1.00 0.00 C ATOM 1113 C TYR A 69 4.911 13.352 6.254 1.00 0.00 C ATOM 1114 O TYR A 69 5.004 14.545 6.456 1.00 0.00 O ATOM 1115 CB TYR A 69 3.734 11.741 4.734 1.00 0.00 C ATOM 1116 CG TYR A 69 3.175 11.715 3.330 1.00 0.00 C ATOM 1117 CD1 TYR A 69 4.032 11.609 2.226 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.792 11.800 3.133 1.00 0.00 C ATOM 1119 CE1 TYR A 69 3.506 11.589 0.930 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.265 11.778 1.836 1.00 0.00 C ATOM 1121 CZ TYR A 69 2.122 11.674 0.735 1.00 0.00 C ATOM 1122 OH TYR A 69 1.603 11.653 -0.544 1.00 0.00 O ATOM 0 H TYR A 69 6.029 11.036 4.543 1.00 0.00 H new ATOM 0 HA TYR A 69 4.679 13.625 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.124 10.758 4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.941 11.971 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.099 11.543 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.130 11.883 3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.167 11.508 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.197 11.841 1.686 1.00 0.00 H new ATOM 0 HH TYR A 69 0.710 11.250 -0.528 1.00 0.00 H new ATOM 1132 N GLU A 70 4.856 12.490 7.239 1.00 0.00 N ATOM 1133 CA GLU A 70 4.902 12.947 8.669 1.00 0.00 C ATOM 1134 C GLU A 70 6.067 13.919 8.908 1.00 0.00 C ATOM 1135 O GLU A 70 6.000 14.778 9.768 1.00 0.00 O ATOM 1136 CB GLU A 70 5.104 11.671 9.487 1.00 0.00 C ATOM 1137 CG GLU A 70 3.750 11.010 9.745 1.00 0.00 C ATOM 1138 CD GLU A 70 3.046 11.720 10.903 1.00 0.00 C ATOM 1139 OE1 GLU A 70 2.363 12.698 10.644 1.00 0.00 O ATOM 1140 OE2 GLU A 70 3.203 11.275 12.028 1.00 0.00 O ATOM 0 H GLU A 70 4.781 11.480 7.116 1.00 0.00 H new ATOM 0 HA GLU A 70 3.993 13.482 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.760 10.984 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.592 11.906 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.134 11.057 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.888 9.955 9.982 1.00 0.00 H new ATOM 1147 N LYS A 71 7.129 13.784 8.158 1.00 0.00 N ATOM 1148 CA LYS A 71 8.302 14.692 8.342 1.00 0.00 C ATOM 1149 C LYS A 71 8.100 15.994 7.559 1.00 0.00 C ATOM 1150 O LYS A 71 8.129 17.073 8.120 1.00 0.00 O ATOM 1151 CB LYS A 71 9.495 13.914 7.788 1.00 0.00 C ATOM 1152 CG LYS A 71 10.794 14.603 8.209 1.00 0.00 C ATOM 1153 CD LYS A 71 11.947 14.096 7.340 1.00 0.00 C ATOM 1154 CE LYS A 71 12.352 12.693 7.797 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.284 12.914 8.938 1.00 0.00 N ATOM 0 H LYS A 71 7.236 13.083 7.425 1.00 0.00 H new ATOM 0 HA LYS A 71 8.444 14.972 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.478 12.889 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.435 13.861 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.695 15.684 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.001 14.401 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.646 14.076 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.797 14.774 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.483 12.112 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.837 12.140 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.152 12.162 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.265 12.897 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.086 13.837 9.374 1.00 0.00 H new ATOM 1169 N ASP A 72 7.912 15.897 6.269 1.00 0.00 N ATOM 1170 CA ASP A 72 7.722 17.127 5.437 1.00 0.00 C ATOM 1171 C ASP A 72 6.440 17.867 5.831 1.00 0.00 C ATOM 1172 O ASP A 72 6.356 19.074 5.708 1.00 0.00 O ATOM 1173 CB ASP A 72 7.625 16.627 3.994 1.00 0.00 C ATOM 1174 CG ASP A 72 7.832 17.798 3.032 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.978 18.133 2.776 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.843 18.341 2.568 1.00 0.00 O ATOM 0 H ASP A 72 7.881 15.018 5.753 1.00 0.00 H new ATOM 0 HA ASP A 72 8.542 17.832 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.376 15.858 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.651 16.169 3.822 1.00 0.00 H new ATOM 1181 N ILE A 73 5.439 17.157 6.293 1.00 0.00 N ATOM 1182 CA ILE A 73 4.161 17.830 6.681 1.00 0.00 C ATOM 1183 C ILE A 73 4.351 18.638 7.975 1.00 0.00 C ATOM 1184 O ILE A 73 3.773 19.694 8.148 1.00 0.00 O ATOM 1185 CB ILE A 73 3.137 16.689 6.855 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.724 17.276 6.875 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.383 15.916 8.159 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.366 17.787 5.478 1.00 0.00 C ATOM 0 H ILE A 73 5.452 16.145 6.418 1.00 0.00 H new ATOM 0 HA ILE A 73 3.822 18.546 5.932 1.00 0.00 H new ATOM 0 HB ILE A 73 3.248 15.998 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.008 16.518 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.667 18.090 7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.646 15.119 8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.384 15.485 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.294 16.595 9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.360 18.206 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.076 18.558 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.407 16.962 4.767 1.00 0.00 H new