USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -143:sc= 2.28 (180deg=-0.224) USER MOD Set 2.2: A 105 GLN : amide:sc= 1.1 K(o=3.4,f=-8.7!) USER MOD Set 3.1: A 14 TYR OH : rot 3:sc= 0.414 USER MOD Set 3.2: A 62 HIS :FLIP no HD1:sc= -0.206 F(o=-1,f=0.21) USER MOD Single : A 13 SER OG : rot 29:sc= 0.128 USER MOD Single : A 24 THR OG1 : rot -32:sc= 0.817 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.56) USER MOD Single : A 41 SER OG : rot 20:sc= -0.342 USER MOD Single : A 46 CYS SG : rot -9:sc= -2.37! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 160:sc= -0.159 (180deg=-0.646) USER MOD Single : A 66 GLN : amide:sc= -2.99! C(o=-3!,f=-6.7!) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 1.89 (180deg=1.76) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0.897 (180deg=0.713) USER MOD Single : A 75 CYS SG : rot -140:sc= 0.91 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -110:sc= 0.774 (180deg=-0.742!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -124:sc= -0.402 (180deg=-3.11!) USER MOD Single : A 87 ASN : amide:sc= -2.39! C(o=-2.4!,f=-15!) USER MOD Single : A 89 THR OG1 : rot -39:sc= 0.764 USER MOD Single : A 91 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-11!) USER MOD Single : A 92 HIS : no HD1:sc= -2.06! X(o=-2.1!,f=-2.3) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 97 ASN : amide:sc= 0.0321 K(o=0.032,f=-2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 119 LYS NZ :NH3+ -138:sc= 1.27 (180deg=0.808) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 2.710 12.781 -8.710 1.00 0.00 N ATOM 164 CA SER A 13 2.232 11.460 -9.100 1.00 0.00 C ATOM 165 C SER A 13 1.681 10.657 -7.914 1.00 0.00 C ATOM 166 O SER A 13 1.173 9.548 -8.099 1.00 0.00 O ATOM 167 CB SER A 13 3.378 10.703 -9.774 1.00 0.00 C ATOM 168 OG SER A 13 3.893 11.444 -10.871 1.00 0.00 O ATOM 0 HA SER A 13 1.401 11.590 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.172 10.516 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.025 9.731 -10.119 1.00 0.00 H new ATOM 0 HG SER A 13 3.768 12.402 -10.706 1.00 0.00 H new ATOM 174 N TYR A 14 1.784 11.209 -6.704 1.00 0.00 N ATOM 175 CA TYR A 14 1.266 10.535 -5.512 1.00 0.00 C ATOM 176 C TYR A 14 -0.258 10.471 -5.551 1.00 0.00 C ATOM 177 O TYR A 14 -0.938 11.495 -5.428 1.00 0.00 O ATOM 178 CB TYR A 14 1.726 11.241 -4.228 1.00 0.00 C ATOM 179 CG TYR A 14 3.197 11.049 -3.908 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.642 9.900 -3.259 1.00 0.00 C ATOM 181 CD2 TYR A 14 4.136 12.010 -4.247 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.980 9.725 -2.958 1.00 0.00 C ATOM 183 CE2 TYR A 14 5.473 11.840 -3.952 1.00 0.00 C ATOM 184 CZ TYR A 14 5.891 10.698 -3.309 1.00 0.00 C ATOM 185 OH TYR A 14 7.224 10.536 -3.015 1.00 0.00 O ATOM 0 H TYR A 14 2.218 12.114 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 14 1.665 9.521 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.521 12.308 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.132 10.873 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.931 9.134 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.815 12.909 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.310 8.831 -2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.189 12.601 -4.225 1.00 0.00 H new ATOM 0 HH TYR A 14 7.363 9.659 -2.600 1.00 0.00 H new ATOM 195 N ILE A 15 -0.784 9.266 -5.735 1.00 0.00 N ATOM 196 CA ILE A 15 -2.224 9.048 -5.761 1.00 0.00 C ATOM 197 C ILE A 15 -2.754 8.908 -4.335 1.00 0.00 C ATOM 198 O ILE A 15 -3.638 9.654 -3.912 1.00 0.00 O ATOM 199 CB ILE A 15 -2.586 7.779 -6.577 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.017 7.875 -8.006 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.100 7.564 -6.611 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.532 9.058 -8.800 1.00 0.00 C ATOM 0 H ILE A 15 -0.230 8.420 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.687 9.909 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.135 6.918 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.930 7.935 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.258 6.958 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.327 6.668 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.473 7.444 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.580 8.426 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.083 9.053 -9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.616 8.991 -8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.268 9.983 -8.288 1.00 0.00 H new ATOM 214 N VAL A 16 -2.184 7.962 -3.592 1.00 0.00 N ATOM 215 CA VAL A 16 -2.603 7.695 -2.217 1.00 0.00 C ATOM 216 C VAL A 16 -1.417 7.833 -1.263 1.00 0.00 C ATOM 217 O VAL A 16 -0.327 7.340 -1.546 1.00 0.00 O ATOM 218 CB VAL A 16 -3.210 6.272 -2.075 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.647 6.003 -0.633 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.379 6.076 -3.041 1.00 0.00 C ATOM 0 H VAL A 16 -1.426 7.364 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.368 8.428 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.434 5.551 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.068 5.000 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.785 6.082 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.399 6.734 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.786 5.072 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.156 6.810 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.030 6.206 -4.065 1.00 0.00 H new ATOM 230 N ARG A 17 -1.637 8.524 -0.147 1.00 0.00 N ATOM 231 CA ARG A 17 -0.634 8.652 0.909 1.00 0.00 C ATOM 232 C ARG A 17 -1.290 8.421 2.268 1.00 0.00 C ATOM 233 O ARG A 17 -1.866 9.342 2.850 1.00 0.00 O ATOM 234 CB ARG A 17 0.035 10.040 0.873 1.00 0.00 C ATOM 235 CG ARG A 17 0.911 10.283 -0.355 1.00 0.00 C ATOM 236 CD ARG A 17 1.549 11.670 -0.334 1.00 0.00 C ATOM 237 NE ARG A 17 0.550 12.741 -0.406 1.00 0.00 N ATOM 238 CZ ARG A 17 0.733 13.901 -1.044 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.896 14.173 -1.629 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.246 14.796 -1.082 1.00 0.00 N ATOM 0 H ARG A 17 -2.512 9.010 0.051 1.00 0.00 H new ATOM 0 HA ARG A 17 0.139 7.901 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.740 10.805 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.644 10.160 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.693 9.525 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.309 10.174 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.136 11.784 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.240 11.763 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.344 12.591 0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.656 13.494 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.028 15.061 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.136 14.598 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.108 15.682 -1.568 1.00 0.00 H new ATOM 254 N VAL A 18 -1.224 7.188 2.760 1.00 0.00 N ATOM 255 CA VAL A 18 -1.869 6.832 4.025 1.00 0.00 C ATOM 256 C VAL A 18 -0.835 6.374 5.054 1.00 0.00 C ATOM 257 O VAL A 18 0.153 5.721 4.710 1.00 0.00 O ATOM 258 CB VAL A 18 -2.951 5.733 3.825 1.00 0.00 C ATOM 259 CG1 VAL A 18 -2.341 4.429 3.312 1.00 0.00 C ATOM 260 CG2 VAL A 18 -3.737 5.501 5.116 1.00 0.00 C ATOM 0 H VAL A 18 -0.732 6.418 2.306 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.363 7.728 4.400 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.645 6.089 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.127 3.685 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.852 4.608 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.608 4.063 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.488 4.728 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.055 5.182 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.229 6.427 5.414 1.00 0.00 H new ATOM 270 N LYS A 19 -1.060 6.751 6.310 1.00 0.00 N ATOM 271 CA LYS A 19 -0.158 6.403 7.403 1.00 0.00 C ATOM 272 C LYS A 19 -0.263 4.917 7.750 1.00 0.00 C ATOM 273 O LYS A 19 -1.362 4.384 7.928 1.00 0.00 O ATOM 274 CB LYS A 19 -0.472 7.258 8.639 1.00 0.00 C ATOM 275 CG LYS A 19 0.447 6.998 9.833 1.00 0.00 C ATOM 276 CD LYS A 19 0.077 7.876 11.026 1.00 0.00 C ATOM 277 CE LYS A 19 1.017 7.668 12.209 1.00 0.00 C ATOM 278 NZ LYS A 19 0.946 6.283 12.745 1.00 0.00 N ATOM 0 H LYS A 19 -1.868 7.303 6.597 1.00 0.00 H new ATOM 0 HA LYS A 19 0.863 6.605 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.404 8.311 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.503 7.074 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.385 5.948 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.481 7.189 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.101 8.923 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.945 7.656 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.040 7.885 11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.766 8.375 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.037 6.307 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.033 5.857 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.719 5.715 12.343 1.00 0.00 H new ATOM 292 N ALA A 20 0.890 4.270 7.850 1.00 0.00 N ATOM 293 CA ALA A 20 0.984 2.856 8.184 1.00 0.00 C ATOM 294 C ALA A 20 2.403 2.542 8.658 1.00 0.00 C ATOM 295 O ALA A 20 3.165 3.457 9.000 1.00 0.00 O ATOM 296 CB ALA A 20 0.611 1.999 6.974 1.00 0.00 C ATOM 0 H ALA A 20 1.795 4.716 7.700 1.00 0.00 H new ATOM 0 HA ALA A 20 0.284 2.624 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.686 0.944 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.411 2.225 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.292 2.216 6.151 1.00 0.00 H new ATOM 302 N VAL A 21 2.752 1.257 8.695 1.00 0.00 N ATOM 303 CA VAL A 21 4.098 0.826 9.074 1.00 0.00 C ATOM 304 C VAL A 21 4.712 -0.040 7.976 1.00 0.00 C ATOM 305 O VAL A 21 4.323 -1.195 7.806 1.00 0.00 O ATOM 306 CB VAL A 21 4.088 0.019 10.396 1.00 0.00 C ATOM 307 CG1 VAL A 21 5.505 -0.418 10.772 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.443 0.824 11.524 1.00 0.00 C ATOM 0 H VAL A 21 2.118 0.492 8.466 1.00 0.00 H new ATOM 0 HA VAL A 21 4.694 1.728 9.215 1.00 0.00 H new ATOM 0 HB VAL A 21 3.487 -0.877 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.476 -0.983 11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.915 -1.044 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.135 0.462 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.449 0.235 12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.005 1.745 11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.415 1.067 11.256 1.00 0.00 H new ATOM 318 N VAL A 22 5.657 0.515 7.226 1.00 0.00 N ATOM 319 CA VAL A 22 6.329 -0.240 6.172 1.00 0.00 C ATOM 320 C VAL A 22 7.298 -1.267 6.772 1.00 0.00 C ATOM 321 O VAL A 22 8.259 -0.919 7.462 1.00 0.00 O ATOM 322 CB VAL A 22 7.081 0.685 5.178 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.094 1.572 4.418 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.129 1.532 5.896 1.00 0.00 C ATOM 0 H VAL A 22 5.975 1.479 7.326 1.00 0.00 H new ATOM 0 HA VAL A 22 5.554 -0.764 5.613 1.00 0.00 H new ATOM 0 HB VAL A 22 7.601 0.053 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.640 2.213 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.397 0.946 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.540 2.189 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.639 2.169 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.642 2.153 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.855 0.879 6.380 1.00 0.00 H new ATOM 334 N MET A 23 7.016 -2.540 6.523 1.00 0.00 N ATOM 335 CA MET A 23 7.858 -3.631 6.995 1.00 0.00 C ATOM 336 C MET A 23 8.891 -3.995 5.936 1.00 0.00 C ATOM 337 O MET A 23 8.550 -4.541 4.879 1.00 0.00 O ATOM 338 CB MET A 23 7.008 -4.858 7.351 1.00 0.00 C ATOM 339 CG MET A 23 6.122 -4.657 8.573 1.00 0.00 C ATOM 340 SD MET A 23 7.077 -4.343 10.071 1.00 0.00 S ATOM 341 CE MET A 23 5.770 -4.177 11.286 1.00 0.00 C ATOM 0 H MET A 23 6.201 -2.844 5.991 1.00 0.00 H new ATOM 0 HA MET A 23 8.377 -3.300 7.895 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.381 -5.114 6.497 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.668 -5.707 7.528 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.446 -3.821 8.395 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.503 -5.542 8.719 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.206 -3.980 12.265 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.117 -3.351 11.007 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.191 -5.100 11.326 1.00 0.00 H new ATOM 351 N THR A 24 10.154 -3.686 6.222 1.00 0.00 N ATOM 352 CA THR A 24 11.246 -3.969 5.298 1.00 0.00 C ATOM 353 C THR A 24 11.716 -5.419 5.448 1.00 0.00 C ATOM 354 O THR A 24 12.661 -5.844 4.784 1.00 0.00 O ATOM 355 CB THR A 24 12.423 -2.975 5.488 1.00 0.00 C ATOM 356 OG1 THR A 24 13.498 -3.285 4.591 1.00 0.00 O ATOM 357 CG2 THR A 24 12.930 -2.978 6.921 1.00 0.00 C ATOM 0 H THR A 24 10.446 -3.238 7.091 1.00 0.00 H new ATOM 0 HA THR A 24 10.870 -3.836 4.284 1.00 0.00 H new ATOM 0 HB THR A 24 12.046 -1.978 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.527 -4.252 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.754 -2.271 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.122 -2.688 7.593 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.278 -3.978 7.182 1.00 0.00 H new ATOM 365 N ARG A 25 11.024 -6.151 6.332 1.00 0.00 N ATOM 366 CA ARG A 25 11.092 -7.623 6.448 1.00 0.00 C ATOM 367 C ARG A 25 12.500 -8.205 6.611 1.00 0.00 C ATOM 368 O ARG A 25 13.510 -7.508 6.532 1.00 0.00 O ATOM 369 CB ARG A 25 10.372 -8.311 5.271 1.00 0.00 C ATOM 370 CG ARG A 25 10.893 -7.958 3.875 1.00 0.00 C ATOM 371 CD ARG A 25 11.243 -9.190 3.056 1.00 0.00 C ATOM 372 NE ARG A 25 12.565 -9.752 3.365 1.00 0.00 N ATOM 373 CZ ARG A 25 13.716 -9.060 3.432 1.00 0.00 C ATOM 374 NH1 ARG A 25 13.744 -7.741 3.293 1.00 0.00 N ATOM 375 NH2 ARG A 25 14.856 -9.705 3.633 1.00 0.00 N ATOM 0 H ARG A 25 10.384 -5.730 7.005 1.00 0.00 H new ATOM 0 HA ARG A 25 10.576 -7.839 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.447 -9.390 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.313 -8.057 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.139 -7.376 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.776 -7.325 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.485 -9.955 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.206 -8.933 1.997 1.00 0.00 H new ATOM 0 HE ARG A 25 12.614 -10.755 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.878 -7.227 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.631 -7.241 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.857 -10.720 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.733 -9.187 3.685 1.00 0.00 H new ATOM 389 N ASP A 26 12.521 -9.516 6.863 1.00 0.00 N ATOM 390 CA ASP A 26 13.750 -10.278 7.077 1.00 0.00 C ATOM 391 C ASP A 26 13.615 -11.679 6.449 1.00 0.00 C ATOM 392 O ASP A 26 14.487 -12.539 6.601 1.00 0.00 O ATOM 393 CB ASP A 26 14.011 -10.378 8.588 1.00 0.00 C ATOM 394 CG ASP A 26 15.305 -11.090 8.939 1.00 0.00 C ATOM 395 OD1 ASP A 26 16.389 -10.536 8.670 1.00 0.00 O ATOM 396 OD2 ASP A 26 15.238 -12.198 9.504 1.00 0.00 O ATOM 0 H ASP A 26 11.675 -10.083 6.925 1.00 0.00 H new ATOM 0 HA ASP A 26 14.592 -9.776 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.033 -9.374 9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.179 -10.903 9.057 1.00 0.00 H new ATOM 401 N ASP A 27 12.503 -11.878 5.728 1.00 0.00 N ATOM 402 CA ASP A 27 12.172 -13.160 5.080 1.00 0.00 C ATOM 403 C ASP A 27 11.904 -14.251 6.110 1.00 0.00 C ATOM 404 O ASP A 27 10.759 -14.480 6.504 1.00 0.00 O ATOM 405 CB ASP A 27 13.276 -13.639 4.117 1.00 0.00 C ATOM 406 CG ASP A 27 13.520 -12.690 2.966 1.00 0.00 C ATOM 407 OD1 ASP A 27 12.565 -12.376 2.232 1.00 0.00 O ATOM 408 OD2 ASP A 27 14.668 -12.236 2.800 1.00 0.00 O ATOM 0 H ASP A 27 11.803 -11.152 5.576 1.00 0.00 H new ATOM 0 HA ASP A 27 11.268 -12.975 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.204 -13.768 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.003 -14.617 3.721 1.00 0.00 H new ATOM 413 N SER A 28 12.970 -14.906 6.548 1.00 0.00 N ATOM 414 CA SER A 28 12.859 -16.051 7.441 1.00 0.00 C ATOM 415 C SER A 28 14.102 -16.160 8.321 1.00 0.00 C ATOM 416 O SER A 28 15.152 -16.633 7.880 1.00 0.00 O ATOM 417 CB SER A 28 12.651 -17.336 6.627 1.00 0.00 C ATOM 418 OG SER A 28 12.365 -18.445 7.463 1.00 0.00 O ATOM 0 H SER A 28 13.928 -14.662 6.297 1.00 0.00 H new ATOM 0 HA SER A 28 11.995 -15.911 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.833 -17.192 5.921 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.546 -17.544 6.040 1.00 0.00 H new ATOM 0 HG SER A 28 12.237 -19.245 6.912 1.00 0.00 H new ATOM 424 N SER A 29 13.960 -15.682 9.551 1.00 0.00 N ATOM 425 CA SER A 29 15.006 -15.724 10.569 1.00 0.00 C ATOM 426 C SER A 29 14.493 -14.966 11.786 1.00 0.00 C ATOM 427 O SER A 29 14.450 -15.493 12.903 1.00 0.00 O ATOM 428 CB SER A 29 16.322 -15.108 10.057 1.00 0.00 C ATOM 429 OG SER A 29 17.362 -15.251 11.009 1.00 0.00 O ATOM 0 H SER A 29 13.098 -15.245 9.877 1.00 0.00 H new ATOM 0 HA SER A 29 15.228 -16.760 10.826 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.612 -15.589 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.170 -14.051 9.837 1.00 0.00 H new ATOM 0 HG SER A 29 18.185 -14.853 10.657 1.00 0.00 H new ATOM 435 N GLY A 30 14.084 -13.727 11.545 1.00 0.00 N ATOM 436 CA GLY A 30 13.384 -12.938 12.542 1.00 0.00 C ATOM 437 C GLY A 30 11.940 -12.726 12.131 1.00 0.00 C ATOM 438 O GLY A 30 11.027 -12.809 12.957 1.00 0.00 O ATOM 0 H GLY A 30 14.229 -13.246 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.423 -13.443 13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.879 -11.975 12.665 1.00 0.00 H new ATOM 442 N GLY A 31 11.737 -12.455 10.842 1.00 0.00 N ATOM 443 CA GLY A 31 10.398 -12.333 10.292 1.00 0.00 C ATOM 444 C GLY A 31 10.199 -11.043 9.517 1.00 0.00 C ATOM 445 O GLY A 31 10.759 -10.866 8.431 1.00 0.00 O ATOM 0 H GLY A 31 12.486 -12.317 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.200 -13.181 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.671 -12.381 11.103 1.00 0.00 H new ATOM 449 N TRP A 32 9.399 -10.144 10.078 1.00 0.00 N ATOM 450 CA TRP A 32 9.084 -8.864 9.450 1.00 0.00 C ATOM 451 C TRP A 32 9.337 -7.731 10.444 1.00 0.00 C ATOM 452 O TRP A 32 8.665 -7.652 11.475 1.00 0.00 O ATOM 453 CB TRP A 32 7.615 -8.847 8.991 1.00 0.00 C ATOM 454 CG TRP A 32 7.346 -9.784 7.851 1.00 0.00 C ATOM 455 CD1 TRP A 32 7.219 -11.142 7.911 1.00 0.00 C ATOM 456 CD2 TRP A 32 7.177 -9.425 6.481 1.00 0.00 C ATOM 457 NE1 TRP A 32 7.007 -11.650 6.652 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.972 -10.613 5.758 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.186 -8.210 5.795 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.781 -10.619 4.381 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.995 -8.216 4.432 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.796 -9.413 3.736 1.00 0.00 C ATOM 0 H TRP A 32 8.949 -10.281 10.983 1.00 0.00 H new ATOM 0 HA TRP A 32 9.723 -8.725 8.578 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.974 -9.113 9.832 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.345 -7.834 8.693 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.277 -11.730 8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.894 -12.637 6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.340 -7.281 6.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.627 -11.541 3.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.999 -7.281 3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.651 -9.384 2.666 1.00 0.00 H new ATOM 473 N PHE A 33 10.314 -6.872 10.154 1.00 0.00 N ATOM 474 CA PHE A 33 10.612 -5.735 11.025 1.00 0.00 C ATOM 475 C PHE A 33 10.458 -4.411 10.270 1.00 0.00 C ATOM 476 O PHE A 33 10.613 -4.366 9.042 1.00 0.00 O ATOM 477 CB PHE A 33 12.026 -5.855 11.641 1.00 0.00 C ATOM 478 CG PHE A 33 13.164 -5.976 10.648 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.531 -4.908 9.841 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.882 -7.158 10.539 1.00 0.00 C ATOM 481 CE1 PHE A 33 14.578 -5.020 8.945 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.933 -7.272 9.649 1.00 0.00 C ATOM 483 CZ PHE A 33 15.279 -6.203 8.850 1.00 0.00 C ATOM 0 H PHE A 33 10.909 -6.941 9.328 1.00 0.00 H new ATOM 0 HA PHE A 33 9.890 -5.746 11.842 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.205 -4.981 12.267 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.045 -6.726 12.296 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.991 -3.976 9.914 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.616 -8.001 11.159 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.846 -4.181 8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.483 -8.199 9.579 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.098 -6.292 8.151 1.00 0.00 H new ATOM 493 N PRO A 34 10.114 -3.325 10.996 1.00 0.00 N ATOM 494 CA PRO A 34 10.030 -1.977 10.435 1.00 0.00 C ATOM 495 C PRO A 34 11.370 -1.240 10.526 1.00 0.00 C ATOM 496 O PRO A 34 12.430 -1.871 10.578 1.00 0.00 O ATOM 497 CB PRO A 34 8.974 -1.325 11.327 1.00 0.00 C ATOM 498 CG PRO A 34 9.176 -1.949 12.670 1.00 0.00 C ATOM 499 CD PRO A 34 9.755 -3.329 12.431 1.00 0.00 C ATOM 0 HA PRO A 34 9.781 -1.962 9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.104 -0.244 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.968 -1.511 10.951 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.851 -1.347 13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.232 -2.015 13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.627 -3.510 13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.030 -4.111 12.659 1.00 0.00 H new ATOM 507 N GLN A 35 11.327 0.094 10.556 1.00 0.00 N ATOM 508 CA GLN A 35 12.547 0.899 10.572 1.00 0.00 C ATOM 509 C GLN A 35 12.285 2.285 11.171 1.00 0.00 C ATOM 510 O GLN A 35 11.183 2.829 11.037 1.00 0.00 O ATOM 511 CB GLN A 35 13.090 1.034 9.142 1.00 0.00 C ATOM 512 CG GLN A 35 12.199 1.871 8.229 1.00 0.00 C ATOM 513 CD GLN A 35 12.492 1.655 6.760 1.00 0.00 C ATOM 514 OE1 GLN A 35 13.367 2.301 6.181 1.00 0.00 O ATOM 515 NE2 GLN A 35 11.739 0.757 6.141 1.00 0.00 N ATOM 0 H GLN A 35 10.463 0.636 10.570 1.00 0.00 H new ATOM 0 HA GLN A 35 13.286 0.398 11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.082 1.483 9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.207 0.040 8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.155 1.627 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.331 2.926 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.026 0.245 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.873 0.578 5.146 1.00 0.00 H new ATOM 524 N GLU A 36 13.301 2.830 11.847 1.00 0.00 N ATOM 525 CA GLU A 36 13.259 4.190 12.403 1.00 0.00 C ATOM 526 C GLU A 36 12.048 4.399 13.317 1.00 0.00 C ATOM 527 O GLU A 36 11.591 5.527 13.512 1.00 0.00 O ATOM 528 CB GLU A 36 13.265 5.231 11.269 1.00 0.00 C ATOM 529 CG GLU A 36 14.550 5.234 10.443 1.00 0.00 C ATOM 530 CD GLU A 36 15.790 5.539 11.275 1.00 0.00 C ATOM 531 OE1 GLU A 36 16.376 4.594 11.849 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.185 6.726 11.365 1.00 0.00 O ATOM 0 H GLU A 36 14.178 2.341 12.026 1.00 0.00 H new ATOM 0 HA GLU A 36 14.152 4.323 13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.420 5.040 10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.117 6.222 11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.670 4.262 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.462 5.973 9.647 1.00 0.00 H new ATOM 539 N GLY A 37 11.552 3.311 13.896 1.00 0.00 N ATOM 540 CA GLY A 37 10.392 3.381 14.768 1.00 0.00 C ATOM 541 C GLY A 37 9.220 2.619 14.193 1.00 0.00 C ATOM 542 O GLY A 37 8.529 1.889 14.906 1.00 0.00 O ATOM 0 H GLY A 37 11.936 2.374 13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.646 2.975 15.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.111 4.423 14.919 1.00 0.00 H new ATOM 546 N GLY A 38 9.015 2.777 12.887 1.00 0.00 N ATOM 547 CA GLY A 38 7.934 2.089 12.203 1.00 0.00 C ATOM 548 C GLY A 38 6.569 2.444 12.758 1.00 0.00 C ATOM 549 O GLY A 38 5.903 1.607 13.367 1.00 0.00 O ATOM 0 H GLY A 38 9.584 3.374 12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.966 2.337 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.086 1.013 12.284 1.00 0.00 H new ATOM 553 N GLY A 39 6.158 3.689 12.557 1.00 0.00 N ATOM 554 CA GLY A 39 4.845 4.130 13.001 1.00 0.00 C ATOM 555 C GLY A 39 4.333 5.285 12.166 1.00 0.00 C ATOM 556 O GLY A 39 3.178 5.296 11.734 1.00 0.00 O ATOM 0 H GLY A 39 6.713 4.407 12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.142 3.299 12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.896 4.431 14.047 1.00 0.00 H new ATOM 560 N ILE A 40 5.206 6.260 11.938 1.00 0.00 N ATOM 561 CA ILE A 40 4.880 7.432 11.132 1.00 0.00 C ATOM 562 C ILE A 40 5.390 7.223 9.700 1.00 0.00 C ATOM 563 O ILE A 40 6.291 7.911 9.231 1.00 0.00 O ATOM 564 CB ILE A 40 5.480 8.735 11.761 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.834 9.047 13.130 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.330 9.936 10.826 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.213 8.087 14.243 1.00 0.00 C ATOM 0 H ILE A 40 6.158 6.261 12.305 1.00 0.00 H new ATOM 0 HA ILE A 40 3.797 7.556 11.108 1.00 0.00 H new ATOM 0 HB ILE A 40 6.544 8.551 11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.116 10.057 13.428 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.750 9.039 13.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.758 10.820 11.298 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.852 9.736 9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.273 10.109 10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.713 8.384 15.165 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.906 7.077 13.973 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.293 8.110 14.392 1.00 0.00 H new ATOM 579 N SER A 41 4.842 6.220 9.019 1.00 0.00 N ATOM 580 CA SER A 41 5.258 5.905 7.655 1.00 0.00 C ATOM 581 C SER A 41 4.089 6.083 6.693 1.00 0.00 C ATOM 582 O SER A 41 3.135 5.311 6.716 1.00 0.00 O ATOM 583 CB SER A 41 5.794 4.469 7.586 1.00 0.00 C ATOM 584 OG SER A 41 6.330 4.172 6.309 1.00 0.00 O ATOM 0 H SER A 41 4.110 5.613 9.388 1.00 0.00 H new ATOM 0 HA SER A 41 6.054 6.589 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.564 4.331 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.991 3.769 7.816 1.00 0.00 H new ATOM 0 HG SER A 41 6.540 5.007 5.840 1.00 0.00 H new ATOM 590 N ARG A 42 4.156 7.112 5.857 1.00 0.00 N ATOM 591 CA ARG A 42 3.101 7.372 4.889 1.00 0.00 C ATOM 592 C ARG A 42 3.390 6.637 3.585 1.00 0.00 C ATOM 593 O ARG A 42 4.344 6.964 2.870 1.00 0.00 O ATOM 594 CB ARG A 42 2.953 8.877 4.629 1.00 0.00 C ATOM 595 CG ARG A 42 2.540 9.682 5.861 1.00 0.00 C ATOM 596 CD ARG A 42 2.035 11.073 5.485 1.00 0.00 C ATOM 597 NE ARG A 42 0.719 11.021 4.832 1.00 0.00 N ATOM 598 CZ ARG A 42 0.271 11.925 3.955 1.00 0.00 C ATOM 599 NH1 ARG A 42 1.056 12.918 3.554 1.00 0.00 N ATOM 600 NH2 ARG A 42 -0.957 11.825 3.460 1.00 0.00 N ATOM 0 H ARG A 42 4.928 7.778 5.831 1.00 0.00 H new ATOM 0 HA ARG A 42 2.162 7.005 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.900 9.266 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.213 9.029 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.760 9.146 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.390 9.774 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.971 11.690 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.752 11.552 4.818 1.00 0.00 H new ATOM 0 HE ARG A 42 0.105 10.241 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.007 12.994 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.708 13.605 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.562 11.056 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.295 12.517 2.791 1.00 0.00 H new ATOM 614 N VAL A 43 2.578 5.627 3.293 1.00 0.00 N ATOM 615 CA VAL A 43 2.708 4.868 2.057 1.00 0.00 C ATOM 616 C VAL A 43 2.236 5.712 0.876 1.00 0.00 C ATOM 617 O VAL A 43 1.033 5.906 0.680 1.00 0.00 O ATOM 618 CB VAL A 43 1.897 3.547 2.116 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.107 2.719 0.848 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.271 2.744 3.363 1.00 0.00 C ATOM 0 H VAL A 43 1.820 5.315 3.899 1.00 0.00 H new ATOM 0 HA VAL A 43 3.760 4.614 1.928 1.00 0.00 H new ATOM 0 HB VAL A 43 0.838 3.799 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.528 1.798 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.779 3.292 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.164 2.476 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.692 1.821 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.334 2.506 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.053 3.333 4.254 1.00 0.00 H new ATOM 630 N GLY A 44 3.195 6.239 0.122 1.00 0.00 N ATOM 631 CA GLY A 44 2.886 7.082 -1.015 1.00 0.00 C ATOM 632 C GLY A 44 2.792 6.296 -2.308 1.00 0.00 C ATOM 633 O GLY A 44 3.773 6.170 -3.046 1.00 0.00 O ATOM 0 H GLY A 44 4.192 6.094 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.942 7.597 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.654 7.849 -1.114 1.00 0.00 H new ATOM 637 N VAL A 45 1.612 5.752 -2.577 1.00 0.00 N ATOM 638 CA VAL A 45 1.358 5.033 -3.818 1.00 0.00 C ATOM 639 C VAL A 45 1.297 6.024 -4.978 1.00 0.00 C ATOM 640 O VAL A 45 0.292 6.721 -5.162 1.00 0.00 O ATOM 641 CB VAL A 45 0.035 4.227 -3.750 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.188 3.433 -5.038 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.028 3.302 -2.531 1.00 0.00 C ATOM 0 H VAL A 45 0.811 5.796 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 45 2.173 4.326 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.788 4.934 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.122 2.876 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.239 4.119 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.638 2.737 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.909 2.746 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.863 2.604 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.125 3.896 -1.623 1.00 0.00 H new ATOM 653 N CYS A 46 2.386 6.118 -5.731 1.00 0.00 N ATOM 654 CA CYS A 46 2.470 7.039 -6.855 1.00 0.00 C ATOM 655 C CYS A 46 2.424 6.278 -8.179 1.00 0.00 C ATOM 656 O CYS A 46 3.040 5.221 -8.316 1.00 0.00 O ATOM 657 CB CYS A 46 3.752 7.880 -6.754 1.00 0.00 C ATOM 658 SG CYS A 46 5.264 6.914 -6.540 1.00 0.00 S ATOM 0 H CYS A 46 3.228 5.563 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 46 1.612 7.710 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.847 8.485 -7.655 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.654 8.570 -5.916 1.00 0.00 H new ATOM 0 HG CYS A 46 4.957 5.671 -6.313 1.00 0.00 H new ATOM 664 N LYS A 47 1.681 6.812 -9.145 1.00 0.00 N ATOM 665 CA LYS A 47 1.557 6.183 -10.457 1.00 0.00 C ATOM 666 C LYS A 47 2.559 6.806 -11.426 1.00 0.00 C ATOM 667 O LYS A 47 2.517 8.012 -11.679 1.00 0.00 O ATOM 668 CB LYS A 47 0.124 6.337 -10.993 1.00 0.00 C ATOM 669 CG LYS A 47 -0.160 5.495 -12.239 1.00 0.00 C ATOM 670 CD LYS A 47 -1.602 5.647 -12.720 1.00 0.00 C ATOM 671 CE LYS A 47 -1.911 7.074 -13.163 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.312 7.214 -13.646 1.00 0.00 N ATOM 0 H LYS A 47 1.155 7.680 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 47 1.773 5.119 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.580 6.058 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.057 7.386 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.521 5.789 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.040 4.446 -12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.781 4.963 -13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.283 5.361 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.744 7.757 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.223 7.365 -13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.482 8.198 -13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.464 6.581 -14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.970 6.961 -12.881 1.00 0.00 H new ATOM 686 N VAL A 48 3.460 5.984 -11.950 1.00 0.00 N ATOM 687 CA VAL A 48 4.508 6.457 -12.850 1.00 0.00 C ATOM 688 C VAL A 48 4.064 6.343 -14.307 1.00 0.00 C ATOM 689 O VAL A 48 3.295 5.443 -14.662 1.00 0.00 O ATOM 690 CB VAL A 48 5.830 5.672 -12.648 1.00 0.00 C ATOM 691 CG1 VAL A 48 6.342 5.837 -11.219 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.646 4.195 -12.992 1.00 0.00 C ATOM 0 H VAL A 48 3.487 4.981 -11.767 1.00 0.00 H new ATOM 0 HA VAL A 48 4.689 7.505 -12.610 1.00 0.00 H new ATOM 0 HB VAL A 48 6.576 6.085 -13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.270 5.278 -11.098 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.525 6.893 -11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.597 5.458 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.587 3.666 -12.842 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.881 3.764 -12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.338 4.100 -14.033 1.00 0.00 H new ATOM 702 N MET A 49 4.547 7.257 -15.142 1.00 0.00 N ATOM 703 CA MET A 49 4.179 7.284 -16.556 1.00 0.00 C ATOM 704 C MET A 49 5.198 6.518 -17.396 1.00 0.00 C ATOM 705 O MET A 49 6.334 6.301 -16.972 1.00 0.00 O ATOM 706 CB MET A 49 4.058 8.731 -17.056 1.00 0.00 C ATOM 707 CG MET A 49 2.991 9.545 -16.328 1.00 0.00 C ATOM 708 SD MET A 49 2.818 11.220 -16.977 1.00 0.00 S ATOM 709 CE MET A 49 2.268 10.889 -18.651 1.00 0.00 C ATOM 0 H MET A 49 5.197 7.992 -14.864 1.00 0.00 H new ATOM 0 HA MET A 49 3.209 6.797 -16.662 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.022 9.227 -16.942 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.830 8.720 -18.122 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.033 9.030 -16.406 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.241 9.596 -15.268 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.786 11.778 -19.058 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.125 10.625 -19.270 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.557 10.062 -18.644 1.00 0.00 H new ATOM 828 N GLY A 58 3.270 2.114 -14.621 1.00 0.00 N ATOM 829 CA GLY A 58 2.977 1.327 -13.442 1.00 0.00 C ATOM 830 C GLY A 58 2.919 2.176 -12.196 1.00 0.00 C ATOM 831 O GLY A 58 2.459 3.319 -12.240 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.025 0.814 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.739 0.557 -13.321 1.00 0.00 H new ATOM 835 N PHE A 59 3.401 1.631 -11.089 1.00 0.00 N ATOM 836 CA PHE A 59 3.368 2.326 -9.809 1.00 0.00 C ATOM 837 C PHE A 59 4.712 2.214 -9.107 1.00 0.00 C ATOM 838 O PHE A 59 5.488 1.288 -9.363 1.00 0.00 O ATOM 839 CB PHE A 59 2.257 1.757 -8.909 1.00 0.00 C ATOM 840 CG PHE A 59 0.859 2.053 -9.401 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.257 1.249 -10.359 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.152 3.145 -8.913 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.017 1.526 -10.814 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.122 3.425 -9.370 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.706 2.615 -10.323 1.00 0.00 C ATOM 0 H PHE A 59 3.823 0.703 -11.051 1.00 0.00 H new ATOM 0 HA PHE A 59 3.157 3.378 -10.001 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.383 0.677 -8.831 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.372 2.165 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.791 0.397 -10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.603 3.783 -8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.475 0.888 -11.556 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.660 4.277 -8.982 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.700 2.834 -10.683 1.00 0.00 H new ATOM 855 N LEU A 60 4.980 3.170 -8.236 1.00 0.00 N ATOM 856 CA LEU A 60 6.164 3.147 -7.395 1.00 0.00 C ATOM 857 C LEU A 60 5.708 3.192 -5.941 1.00 0.00 C ATOM 858 O LEU A 60 5.198 4.217 -5.471 1.00 0.00 O ATOM 859 CB LEU A 60 7.090 4.337 -7.729 1.00 0.00 C ATOM 860 CG LEU A 60 8.582 4.169 -7.359 1.00 0.00 C ATOM 861 CD1 LEU A 60 9.406 5.336 -7.903 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.776 4.042 -5.848 1.00 0.00 C ATOM 0 H LEU A 60 4.383 3.984 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 60 6.738 2.237 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.023 4.533 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.708 5.221 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 60 8.932 3.245 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.453 5.200 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.314 5.372 -8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.040 6.270 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.837 3.925 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.399 4.938 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.231 3.171 -5.483 1.00 0.00 H new ATOM 874 N ILE A 61 5.844 2.067 -5.250 1.00 0.00 N ATOM 875 CA ILE A 61 5.476 1.978 -3.845 1.00 0.00 C ATOM 876 C ILE A 61 6.476 2.775 -3.011 1.00 0.00 C ATOM 877 O ILE A 61 7.461 2.231 -2.510 1.00 0.00 O ATOM 878 CB ILE A 61 5.427 0.505 -3.364 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.544 -0.330 -4.310 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.910 0.424 -1.926 1.00 0.00 C ATOM 881 CD1 ILE A 61 4.529 -1.812 -4.000 1.00 0.00 C ATOM 0 H ILE A 61 6.209 1.200 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 61 4.477 2.396 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 61 6.438 0.097 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.523 0.049 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.892 -0.188 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.883 -0.618 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.572 0.988 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.906 0.845 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.884 -2.326 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.541 -2.210 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.151 -1.969 -2.990 1.00 0.00 H new ATOM 893 N HIS A 62 6.236 4.079 -2.921 1.00 0.00 N ATOM 894 CA HIS A 62 7.151 5.003 -2.261 1.00 0.00 C ATOM 895 C HIS A 62 6.620 5.387 -0.882 1.00 0.00 C ATOM 896 O HIS A 62 5.809 6.303 -0.747 1.00 0.00 O ATOM 897 CB HIS A 62 7.339 6.252 -3.141 1.00 0.00 C ATOM 898 CG HIS A 62 8.325 7.255 -2.618 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.232 8.119 -1.575 1.00 0.00 N flip ATOM 900 CD2 HIS A 62 9.548 7.501 -3.202 1.00 0.00 C flip ATOM 901 CE1 HIS A 62 9.383 8.896 -1.520 1.00 0.00 C flip ATOM 902 NE2 HIS A 62 10.141 8.486 -2.521 1.00 0.00 N flip ATOM 0 H HIS A 62 5.402 4.525 -3.303 1.00 0.00 H new ATOM 0 HA HIS A 62 8.117 4.517 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.659 5.934 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.373 6.743 -3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.956 6.988 -4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.611 9.674 -0.806 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.059 8.871 -2.745 1.00 0.00 H new ATOM 910 N GLY A 63 7.049 4.652 0.131 1.00 0.00 N ATOM 911 CA GLY A 63 6.709 4.985 1.498 1.00 0.00 C ATOM 912 C GLY A 63 7.718 5.947 2.091 1.00 0.00 C ATOM 913 O GLY A 63 8.916 5.645 2.132 1.00 0.00 O ATOM 0 H GLY A 63 7.633 3.822 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.715 5.430 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.672 4.076 2.099 1.00 0.00 H new ATOM 917 N GLU A 64 7.250 7.106 2.540 1.00 0.00 N ATOM 918 CA GLU A 64 8.132 8.113 3.120 1.00 0.00 C ATOM 919 C GLU A 64 7.667 8.497 4.517 1.00 0.00 C ATOM 920 O GLU A 64 6.733 7.894 5.059 1.00 0.00 O ATOM 921 CB GLU A 64 8.218 9.357 2.208 1.00 0.00 C ATOM 922 CG GLU A 64 6.896 10.107 1.969 1.00 0.00 C ATOM 923 CD GLU A 64 6.609 11.219 2.984 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.503 12.061 3.234 1.00 0.00 O ATOM 925 OE2 GLU A 64 5.475 11.283 3.509 1.00 0.00 O ATOM 0 H GLU A 64 6.266 7.372 2.514 1.00 0.00 H new ATOM 0 HA GLU A 64 9.131 7.684 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.935 10.053 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.618 9.049 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.913 10.540 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.076 9.390 1.992 1.00 0.00 H new ATOM 932 N ARG A 65 8.359 9.480 5.092 1.00 0.00 N ATOM 933 CA ARG A 65 7.986 10.078 6.374 1.00 0.00 C ATOM 934 C ARG A 65 8.420 9.202 7.544 1.00 0.00 C ATOM 935 O ARG A 65 8.462 7.976 7.428 1.00 0.00 O ATOM 936 CB ARG A 65 6.468 10.323 6.444 1.00 0.00 C ATOM 937 CG ARG A 65 6.059 11.474 7.351 1.00 0.00 C ATOM 938 CD ARG A 65 6.666 12.789 6.873 1.00 0.00 C ATOM 939 NE ARG A 65 5.744 13.908 7.025 1.00 0.00 N ATOM 940 CZ ARG A 65 5.040 14.422 6.018 1.00 0.00 C ATOM 941 NH1 ARG A 65 5.098 13.867 4.809 1.00 0.00 N ATOM 942 NH2 ARG A 65 4.254 15.469 6.221 1.00 0.00 N ATOM 0 H ARG A 65 9.199 9.886 4.679 1.00 0.00 H new ATOM 0 HA ARG A 65 8.504 11.034 6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.097 10.519 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.981 9.412 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.972 11.557 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.382 11.270 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.577 12.992 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.952 12.696 5.825 1.00 0.00 H new ATOM 0 HE ARG A 65 5.632 14.319 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.683 13.046 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.558 14.263 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.187 15.884 7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.716 15.860 5.448 1.00 0.00 H new ATOM 956 N GLN A 66 8.763 9.858 8.653 1.00 0.00 N ATOM 957 CA GLN A 66 9.045 9.189 9.921 1.00 0.00 C ATOM 958 C GLN A 66 9.587 10.201 10.924 1.00 0.00 C ATOM 959 O GLN A 66 9.016 10.403 11.996 1.00 0.00 O ATOM 960 CB GLN A 66 10.063 8.046 9.754 1.00 0.00 C ATOM 961 CG GLN A 66 9.912 6.948 10.802 1.00 0.00 C ATOM 962 CD GLN A 66 8.626 6.145 10.636 1.00 0.00 C ATOM 963 OE1 GLN A 66 8.049 5.652 11.608 1.00 0.00 O ATOM 964 NE2 GLN A 66 8.170 6.003 9.399 1.00 0.00 N ATOM 0 H GLN A 66 8.853 10.873 8.696 1.00 0.00 H new ATOM 0 HA GLN A 66 8.111 8.759 10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.950 7.610 8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.072 8.456 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.766 6.274 10.741 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.930 7.396 11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.673 6.425 8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.316 5.472 9.228 1.00 0.00 H new ATOM 973 N LYS A 67 10.681 10.860 10.541 1.00 0.00 N ATOM 974 CA LYS A 67 11.409 11.751 11.445 1.00 0.00 C ATOM 975 C LYS A 67 12.220 12.804 10.680 1.00 0.00 C ATOM 976 O LYS A 67 12.309 13.959 11.107 1.00 0.00 O ATOM 977 CB LYS A 67 12.315 10.911 12.366 1.00 0.00 C ATOM 978 CG LYS A 67 13.028 9.761 11.651 1.00 0.00 C ATOM 979 CD LYS A 67 13.644 8.766 12.635 1.00 0.00 C ATOM 980 CE LYS A 67 14.879 9.323 13.333 1.00 0.00 C ATOM 981 NZ LYS A 67 16.021 9.475 12.394 1.00 0.00 N ATOM 0 H LYS A 67 11.084 10.793 9.606 1.00 0.00 H new ATOM 0 HA LYS A 67 10.686 12.297 12.051 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.062 11.563 12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.713 10.504 13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.320 9.241 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.809 10.164 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.900 8.492 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.912 7.853 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.641 10.290 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.165 8.660 14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.897 9.625 12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.113 8.614 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.853 10.292 11.773 1.00 0.00 H new ATOM 995 N ASP A 68 12.802 12.415 9.545 1.00 0.00 N ATOM 996 CA ASP A 68 13.633 13.333 8.753 1.00 0.00 C ATOM 997 C ASP A 68 13.044 13.546 7.363 1.00 0.00 C ATOM 998 O ASP A 68 13.686 14.160 6.508 1.00 0.00 O ATOM 999 CB ASP A 68 15.062 12.778 8.604 1.00 0.00 C ATOM 1000 CG ASP A 68 15.727 12.466 9.933 1.00 0.00 C ATOM 1001 OD1 ASP A 68 16.275 13.391 10.568 1.00 0.00 O ATOM 1002 OD2 ASP A 68 15.711 11.286 10.344 1.00 0.00 O ATOM 0 H ASP A 68 12.717 11.477 9.152 1.00 0.00 H new ATOM 0 HA ASP A 68 13.660 14.285 9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.031 11.871 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.671 13.502 8.062 1.00 0.00 H new ATOM 1007 N LYS A 69 11.815 13.065 7.154 1.00 0.00 N ATOM 1008 CA LYS A 69 11.234 12.949 5.811 1.00 0.00 C ATOM 1009 C LYS A 69 12.223 12.252 4.880 1.00 0.00 C ATOM 1010 O LYS A 69 13.066 12.887 4.245 1.00 0.00 O ATOM 1011 CB LYS A 69 10.813 14.314 5.227 1.00 0.00 C ATOM 1012 CG LYS A 69 10.417 14.243 3.747 1.00 0.00 C ATOM 1013 CD LYS A 69 9.891 15.576 3.211 1.00 0.00 C ATOM 1014 CE LYS A 69 8.434 15.813 3.592 1.00 0.00 C ATOM 1015 NZ LYS A 69 7.510 14.878 2.887 1.00 0.00 N ATOM 0 H LYS A 69 11.199 12.748 7.902 1.00 0.00 H new ATOM 0 HA LYS A 69 10.326 12.352 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.974 14.705 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.635 15.020 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.281 13.935 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.653 13.477 3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.504 16.389 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.989 15.594 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.317 15.693 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.160 16.841 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.529 15.199 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.741 14.860 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.615 13.922 3.283 1.00 0.00 H new ATOM 1029 N LEU A 70 12.125 10.937 4.820 1.00 0.00 N ATOM 1030 CA LEU A 70 13.046 10.132 4.039 1.00 0.00 C ATOM 1031 C LEU A 70 12.285 8.993 3.391 1.00 0.00 C ATOM 1032 O LEU A 70 11.180 8.652 3.828 1.00 0.00 O ATOM 1033 CB LEU A 70 14.187 9.580 4.919 1.00 0.00 C ATOM 1034 CG LEU A 70 13.772 8.604 6.044 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.001 7.947 6.664 1.00 0.00 C ATOM 1036 CD2 LEU A 70 12.952 9.311 7.126 1.00 0.00 C ATOM 0 H LEU A 70 11.409 10.399 5.308 1.00 0.00 H new ATOM 0 HA LEU A 70 13.495 10.759 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.903 9.073 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.708 10.423 5.372 1.00 0.00 H new ATOM 0 HG LEU A 70 13.145 7.833 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.689 7.264 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.543 7.393 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.651 8.715 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.678 8.595 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.545 10.112 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.049 9.730 6.682 1.00 0.00 H new ATOM 1048 N VAL A 71 12.869 8.422 2.348 1.00 0.00 N ATOM 1049 CA VAL A 71 12.263 7.302 1.654 1.00 0.00 C ATOM 1050 C VAL A 71 12.534 6.016 2.426 1.00 0.00 C ATOM 1051 O VAL A 71 13.590 5.399 2.273 1.00 0.00 O ATOM 1052 CB VAL A 71 12.806 7.167 0.210 1.00 0.00 C ATOM 1053 CG1 VAL A 71 11.987 6.153 -0.582 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.833 8.526 -0.489 1.00 0.00 C ATOM 0 H VAL A 71 13.766 8.720 1.964 1.00 0.00 H new ATOM 0 HA VAL A 71 11.190 7.482 1.594 1.00 0.00 H new ATOM 0 HB VAL A 71 13.831 6.800 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.386 6.074 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.041 5.180 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.948 6.479 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.218 8.407 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.823 8.934 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.477 9.208 0.066 1.00 0.00 H new ATOM 1064 N VAL A 72 11.595 5.642 3.285 1.00 0.00 N ATOM 1065 CA VAL A 72 11.748 4.459 4.128 1.00 0.00 C ATOM 1066 C VAL A 72 11.446 3.185 3.337 1.00 0.00 C ATOM 1067 O VAL A 72 11.877 2.092 3.706 1.00 0.00 O ATOM 1068 CB VAL A 72 10.842 4.536 5.387 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.277 5.684 6.297 1.00 0.00 C ATOM 1070 CG2 VAL A 72 9.372 4.686 5.000 1.00 0.00 C ATOM 0 H VAL A 72 10.716 6.141 3.418 1.00 0.00 H new ATOM 0 HA VAL A 72 12.786 4.428 4.460 1.00 0.00 H new ATOM 0 HB VAL A 72 10.952 3.600 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.629 5.720 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.308 5.526 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.205 6.626 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.762 4.737 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.240 5.599 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.064 3.829 4.402 1.00 0.00 H new ATOM 1080 N LEU A 73 10.717 3.338 2.238 1.00 0.00 N ATOM 1081 CA LEU A 73 10.374 2.215 1.375 1.00 0.00 C ATOM 1082 C LEU A 73 10.137 2.726 -0.042 1.00 0.00 C ATOM 1083 O LEU A 73 9.459 3.731 -0.236 1.00 0.00 O ATOM 1084 CB LEU A 73 9.121 1.494 1.927 1.00 0.00 C ATOM 1085 CG LEU A 73 8.822 0.080 1.375 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.299 0.127 -0.061 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.061 -0.810 1.470 1.00 0.00 C ATOM 0 H LEU A 73 10.350 4.236 1.922 1.00 0.00 H new ATOM 0 HA LEU A 73 11.193 1.497 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.223 1.420 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.254 2.124 1.731 1.00 0.00 H new ATOM 0 HG LEU A 73 8.035 -0.351 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.102 -0.887 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.377 0.708 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.045 0.594 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.829 -1.800 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.871 -0.369 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.368 -0.897 2.512 1.00 0.00 H new ATOM 1099 N GLU A 74 10.720 2.049 -1.026 1.00 0.00 N ATOM 1100 CA GLU A 74 10.506 2.390 -2.427 1.00 0.00 C ATOM 1101 C GLU A 74 10.661 1.147 -3.296 1.00 0.00 C ATOM 1102 O GLU A 74 11.641 0.406 -3.170 1.00 0.00 O ATOM 1103 CB GLU A 74 11.473 3.493 -2.880 1.00 0.00 C ATOM 1104 CG GLU A 74 12.937 3.189 -2.600 1.00 0.00 C ATOM 1105 CD GLU A 74 13.870 4.289 -3.083 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.877 4.574 -4.302 1.00 0.00 O ATOM 1107 OE2 GLU A 74 14.612 4.862 -2.256 1.00 0.00 O ATOM 0 H GLU A 74 11.347 1.258 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 74 9.491 2.772 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.345 3.656 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.204 4.424 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.075 3.046 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.208 2.251 -3.084 1.00 0.00 H new ATOM 1114 N CYS A 75 9.676 0.909 -4.155 1.00 0.00 N ATOM 1115 CA CYS A 75 9.682 -0.239 -5.052 1.00 0.00 C ATOM 1116 C CYS A 75 8.995 0.127 -6.363 1.00 0.00 C ATOM 1117 O CYS A 75 7.810 0.468 -6.375 1.00 0.00 O ATOM 1118 CB CYS A 75 8.967 -1.422 -4.390 1.00 0.00 C ATOM 1119 SG CYS A 75 9.652 -1.891 -2.783 1.00 0.00 S ATOM 0 H CYS A 75 8.854 1.505 -4.249 1.00 0.00 H new ATOM 0 HA CYS A 75 10.712 -0.526 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.913 -1.173 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.014 -2.282 -5.058 1.00 0.00 H new ATOM 0 HG CYS A 75 9.670 -3.187 -2.680 1.00 0.00 H new ATOM 1125 N TYR A 76 9.744 0.073 -7.460 1.00 0.00 N ATOM 1126 CA TYR A 76 9.210 0.403 -8.777 1.00 0.00 C ATOM 1127 C TYR A 76 8.665 -0.860 -9.441 1.00 0.00 C ATOM 1128 O TYR A 76 9.225 -1.944 -9.263 1.00 0.00 O ATOM 1129 CB TYR A 76 10.310 1.034 -9.647 1.00 0.00 C ATOM 1130 CG TYR A 76 9.816 1.588 -10.975 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.662 0.763 -12.089 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.505 2.937 -11.116 1.00 0.00 C ATOM 1133 CE1 TYR A 76 9.213 1.267 -13.294 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.056 3.444 -12.320 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.910 2.605 -13.404 1.00 0.00 C ATOM 1136 OH TYR A 76 8.459 3.107 -14.607 1.00 0.00 O ATOM 0 H TYR A 76 10.727 -0.198 -7.462 1.00 0.00 H new ATOM 0 HA TYR A 76 8.399 1.123 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.785 1.838 -9.085 1.00 0.00 H new ATOM 0 HB3 TYR A 76 11.077 0.285 -9.842 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.898 -0.288 -12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.617 3.599 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.100 0.614 -14.147 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.820 4.494 -12.412 1.00 0.00 H new ATOM 0 HH TYR A 76 8.289 4.068 -14.517 1.00 0.00 H new ATOM 1146 N VAL A 77 7.576 -0.723 -10.195 1.00 0.00 N ATOM 1147 CA VAL A 77 6.971 -1.856 -10.885 1.00 0.00 C ATOM 1148 C VAL A 77 6.139 -1.371 -12.073 1.00 0.00 C ATOM 1149 O VAL A 77 5.538 -0.293 -12.022 1.00 0.00 O ATOM 1150 CB VAL A 77 6.084 -2.689 -9.921 1.00 0.00 C ATOM 1151 CG1 VAL A 77 4.924 -1.853 -9.383 1.00 0.00 C ATOM 1152 CG2 VAL A 77 5.580 -3.964 -10.597 1.00 0.00 C ATOM 0 H VAL A 77 7.095 0.164 -10.343 1.00 0.00 H new ATOM 0 HA VAL A 77 7.775 -2.496 -11.249 1.00 0.00 H new ATOM 0 HB VAL A 77 6.701 -2.987 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.319 -2.461 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.316 -0.993 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.308 -1.508 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.962 -4.527 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.989 -3.701 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.430 -4.574 -10.902 1.00 0.00 H new ATOM 1162 N ARG A 78 6.123 -2.162 -13.142 1.00 0.00 N ATOM 1163 CA ARG A 78 5.365 -1.830 -14.348 1.00 0.00 C ATOM 1164 C ARG A 78 3.925 -2.337 -14.221 1.00 0.00 C ATOM 1165 O ARG A 78 3.445 -2.603 -13.117 1.00 0.00 O ATOM 1166 CB ARG A 78 6.025 -2.450 -15.600 1.00 0.00 C ATOM 1167 CG ARG A 78 7.318 -1.774 -16.063 1.00 0.00 C ATOM 1168 CD ARG A 78 8.398 -1.767 -14.990 1.00 0.00 C ATOM 1169 NE ARG A 78 8.596 -3.087 -14.381 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.521 -3.342 -13.456 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.398 -2.410 -13.111 1.00 0.00 N ATOM 1172 NH2 ARG A 78 9.588 -4.539 -12.892 1.00 0.00 N ATOM 0 H ARG A 78 6.630 -3.045 -13.199 1.00 0.00 H new ATOM 0 HA ARG A 78 5.359 -0.746 -14.458 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.237 -3.500 -15.396 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.307 -2.423 -16.420 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.695 -2.288 -16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.100 -0.748 -16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.337 -1.428 -15.427 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.130 -1.050 -14.214 1.00 0.00 H new ATOM 0 HE ARG A 78 7.992 -3.852 -14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.367 -1.492 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.104 -2.611 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.930 -5.269 -13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.297 -4.730 -12.184 1.00 0.00 H new ATOM 1186 N LYS A 79 3.244 -2.456 -15.358 1.00 0.00 N ATOM 1187 CA LYS A 79 1.885 -2.988 -15.407 1.00 0.00 C ATOM 1188 C LYS A 79 1.863 -4.472 -15.019 1.00 0.00 C ATOM 1189 O LYS A 79 1.814 -5.343 -15.890 1.00 0.00 O ATOM 1190 CB LYS A 79 1.297 -2.799 -16.817 1.00 0.00 C ATOM 1191 CG LYS A 79 -0.135 -3.314 -16.976 1.00 0.00 C ATOM 1192 CD LYS A 79 -0.569 -3.356 -18.442 1.00 0.00 C ATOM 1193 CE LYS A 79 -0.580 -1.971 -19.080 1.00 0.00 C ATOM 1194 NZ LYS A 79 -1.595 -1.083 -18.462 1.00 0.00 N ATOM 0 H LYS A 79 3.617 -2.187 -16.268 1.00 0.00 H new ATOM 0 HA LYS A 79 1.275 -2.440 -14.689 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.319 -1.739 -17.068 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.937 -3.310 -17.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.211 -4.313 -16.547 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.815 -2.673 -16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.105 -4.006 -19.000 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.565 -3.794 -18.512 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.407 -1.518 -18.981 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.782 -2.065 -20.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.367 -0.915 -19.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.976 -1.534 -17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.154 -0.176 -18.208 1.00 0.00 H new ATOM 1208 N ASP A 80 1.962 -4.738 -13.712 1.00 0.00 N ATOM 1209 CA ASP A 80 1.841 -6.092 -13.148 1.00 0.00 C ATOM 1210 C ASP A 80 2.268 -6.076 -11.684 1.00 0.00 C ATOM 1211 O ASP A 80 3.461 -6.147 -11.375 1.00 0.00 O ATOM 1212 CB ASP A 80 2.689 -7.124 -13.911 1.00 0.00 C ATOM 1213 CG ASP A 80 2.413 -8.555 -13.463 1.00 0.00 C ATOM 1214 OD1 ASP A 80 1.357 -9.107 -13.846 1.00 0.00 O ATOM 1215 OD2 ASP A 80 3.249 -9.136 -12.738 1.00 0.00 O ATOM 0 H ASP A 80 2.129 -4.018 -13.010 1.00 0.00 H new ATOM 0 HA ASP A 80 0.796 -6.389 -13.240 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.488 -7.036 -14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.746 -6.899 -13.766 1.00 0.00 H new ATOM 1220 N LEU A 81 1.294 -5.956 -10.791 1.00 0.00 N ATOM 1221 CA LEU A 81 1.557 -5.890 -9.355 1.00 0.00 C ATOM 1222 C LEU A 81 0.538 -6.767 -8.621 1.00 0.00 C ATOM 1223 O LEU A 81 -0.643 -6.787 -8.979 1.00 0.00 O ATOM 1224 CB LEU A 81 1.463 -4.426 -8.872 1.00 0.00 C ATOM 1225 CG LEU A 81 2.378 -4.029 -7.694 1.00 0.00 C ATOM 1226 CD1 LEU A 81 2.124 -2.579 -7.281 1.00 0.00 C ATOM 1227 CD2 LEU A 81 2.201 -4.963 -6.500 1.00 0.00 C ATOM 0 H LEU A 81 0.306 -5.902 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 81 2.562 -6.256 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.690 -3.773 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.431 -4.227 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 81 3.409 -4.122 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.778 -2.318 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.328 -1.919 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.084 -2.465 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.862 -4.650 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.167 -4.924 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.447 -5.983 -6.796 1.00 0.00 H new ATOM 1239 N VAL A 82 0.999 -7.503 -7.612 1.00 0.00 N ATOM 1240 CA VAL A 82 0.127 -8.366 -6.818 1.00 0.00 C ATOM 1241 C VAL A 82 0.229 -8.025 -5.328 1.00 0.00 C ATOM 1242 O VAL A 82 1.325 -7.948 -4.769 1.00 0.00 O ATOM 1243 CB VAL A 82 0.460 -9.870 -7.033 1.00 0.00 C ATOM 1244 CG1 VAL A 82 0.139 -10.297 -8.465 1.00 0.00 C ATOM 1245 CG2 VAL A 82 1.924 -10.165 -6.698 1.00 0.00 C ATOM 0 H VAL A 82 1.977 -7.519 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.894 -8.187 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.164 -10.450 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.380 -11.352 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.921 -10.140 -8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.730 -9.703 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.128 -11.224 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.572 -9.570 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.117 -9.912 -5.656 1.00 0.00 H new ATOM 1255 N TYR A 83 -0.922 -7.792 -4.704 1.00 0.00 N ATOM 1256 CA TYR A 83 -1.002 -7.560 -3.261 1.00 0.00 C ATOM 1257 C TYR A 83 -1.708 -8.731 -2.585 1.00 0.00 C ATOM 1258 O TYR A 83 -2.699 -9.252 -3.100 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.754 -6.257 -2.947 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.888 -5.010 -2.934 1.00 0.00 C ATOM 1261 CD1 TYR A 83 -0.329 -4.499 -4.099 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.636 -4.341 -1.741 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.456 -3.360 -4.070 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.142 -3.206 -1.707 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.686 -2.718 -2.872 1.00 0.00 C ATOM 1266 OH TYR A 83 1.466 -1.583 -2.839 1.00 0.00 O ATOM 0 H TYR A 83 -1.823 -7.758 -5.180 1.00 0.00 H new ATOM 0 HA TYR A 83 0.015 -7.471 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.546 -6.125 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.236 -6.358 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -0.510 -4.998 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.059 -4.720 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.887 -2.975 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.324 -2.701 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 83 1.527 -1.255 -1.918 1.00 0.00 H new ATOM 1276 N THR A 84 -1.206 -9.124 -1.428 1.00 0.00 N ATOM 1277 CA THR A 84 -1.767 -10.233 -0.676 1.00 0.00 C ATOM 1278 C THR A 84 -1.938 -9.851 0.794 1.00 0.00 C ATOM 1279 O THR A 84 -0.961 -9.587 1.499 1.00 0.00 O ATOM 1280 CB THR A 84 -0.863 -11.480 -0.783 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.621 -11.790 -2.167 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.497 -12.682 -0.091 1.00 0.00 C ATOM 0 H THR A 84 -0.400 -8.685 -0.984 1.00 0.00 H new ATOM 0 HA THR A 84 -2.743 -10.466 -1.101 1.00 0.00 H new ATOM 0 HB THR A 84 0.081 -11.258 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.046 -12.581 -2.229 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.837 -13.545 -0.183 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.652 -12.455 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.456 -12.907 -0.558 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.185 -9.794 1.245 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.486 -9.500 2.638 1.00 0.00 C ATOM 1292 C LYS A 85 -3.429 -10.793 3.449 1.00 0.00 C ATOM 1293 O LYS A 85 -4.369 -11.591 3.427 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.873 -8.849 2.757 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.205 -8.336 4.156 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.689 -7.994 4.330 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.218 -7.046 3.254 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.555 -7.756 1.987 1.00 0.00 N ATOM 0 H LYS A 85 -4.007 -9.949 0.662 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.748 -8.799 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.934 -8.019 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.630 -9.575 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.923 -9.090 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.606 -7.449 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.272 -8.915 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.838 -7.541 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.105 -6.535 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.471 -6.279 3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.030 -7.327 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.295 -8.759 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.576 -7.677 1.806 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.313 -11.012 4.136 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.109 -12.245 4.898 1.00 0.00 C ATOM 1314 C ALA A 86 -2.772 -12.143 6.267 1.00 0.00 C ATOM 1315 O ALA A 86 -2.951 -13.142 6.968 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.617 -12.528 5.045 1.00 0.00 C ATOM 0 H ALA A 86 -1.535 -10.354 4.183 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.570 -13.071 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.475 -13.447 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.169 -12.639 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.140 -11.700 5.569 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.133 -10.920 6.624 1.00 0.00 N ATOM 1323 CA ASN A 87 -3.744 -10.616 7.910 1.00 0.00 C ATOM 1324 C ASN A 87 -4.454 -9.268 7.789 1.00 0.00 C ATOM 1325 O ASN A 87 -3.950 -8.378 7.108 1.00 0.00 O ATOM 1326 CB ASN A 87 -2.643 -10.590 8.996 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.130 -10.248 10.402 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.008 -9.413 10.593 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.554 -10.897 11.403 1.00 0.00 N ATOM 0 H ASN A 87 -3.009 -10.104 6.025 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.475 -11.372 8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.158 -11.566 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.884 -9.864 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.838 -10.708 12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.826 -11.586 11.213 1.00 0.00 H new ATOM 1336 N PRO A 88 -5.652 -9.106 8.389 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.394 -7.835 8.365 1.00 0.00 C ATOM 1338 C PRO A 88 -5.526 -6.607 8.702 1.00 0.00 C ATOM 1339 O PRO A 88 -5.862 -5.486 8.323 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.503 -8.033 9.424 1.00 0.00 C ATOM 1341 CG PRO A 88 -7.212 -9.345 10.086 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.410 -10.146 9.100 1.00 0.00 C ATOM 0 HA PRO A 88 -6.774 -7.623 7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.499 -7.220 10.150 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.489 -8.040 8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.656 -9.198 11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.135 -9.862 10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -5.753 -10.860 9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.048 -10.716 8.425 1.00 0.00 H new ATOM 1350 N THR A 89 -4.414 -6.822 9.408 1.00 0.00 N ATOM 1351 CA THR A 89 -3.516 -5.728 9.787 1.00 0.00 C ATOM 1352 C THR A 89 -2.130 -5.885 9.144 1.00 0.00 C ATOM 1353 O THR A 89 -1.177 -5.199 9.523 1.00 0.00 O ATOM 1354 CB THR A 89 -3.377 -5.633 11.330 1.00 0.00 C ATOM 1355 OG1 THR A 89 -2.605 -4.479 11.693 1.00 0.00 O ATOM 1356 CG2 THR A 89 -2.718 -6.880 11.913 1.00 0.00 C ATOM 0 H THR A 89 -4.114 -7.742 9.729 1.00 0.00 H new ATOM 0 HA THR A 89 -3.960 -4.805 9.416 1.00 0.00 H new ATOM 0 HB THR A 89 -4.383 -5.548 11.741 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.868 -4.366 11.058 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.638 -6.777 12.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.322 -7.756 11.676 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.723 -6.999 11.485 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.027 -6.758 8.142 1.00 0.00 N ATOM 1365 CA PHE A 90 -0.755 -7.027 7.471 1.00 0.00 C ATOM 1366 C PHE A 90 -0.980 -7.333 5.985 1.00 0.00 C ATOM 1367 O PHE A 90 -1.595 -8.346 5.624 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.022 -8.191 8.158 1.00 0.00 C ATOM 1369 CG PHE A 90 1.294 -8.560 7.507 1.00 0.00 C ATOM 1370 CD1 PHE A 90 2.467 -7.893 7.841 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.357 -9.576 6.560 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.667 -8.230 7.244 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.552 -9.913 5.963 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.708 -9.240 6.304 1.00 0.00 C ATOM 0 H PHE A 90 -2.814 -7.294 7.775 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.133 -6.135 7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.161 -7.927 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.672 -9.066 8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.440 -7.102 8.576 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.457 -10.108 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.571 -7.704 7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.584 -10.704 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.645 -9.504 5.835 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.466 -6.454 5.133 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.603 -6.582 3.682 1.00 0.00 C ATOM 1386 C HIS A 91 0.791 -6.639 3.059 1.00 0.00 C ATOM 1387 O HIS A 91 1.597 -5.732 3.277 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.379 -5.367 3.136 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.219 -5.627 1.913 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.499 -5.138 1.763 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.945 -6.301 0.762 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.951 -5.516 0.565 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.049 -6.226 -0.084 1.00 0.00 N ATOM 0 H HIS A 91 0.059 -5.630 5.426 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.149 -7.492 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.027 -4.988 3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.665 -4.577 2.903 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.012 -4.583 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.020 -6.812 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.929 -5.272 0.177 1.00 0.00 H new ATOM 1401 N HIS A 92 1.089 -7.697 2.309 1.00 0.00 N ATOM 1402 CA HIS A 92 2.403 -7.835 1.681 1.00 0.00 C ATOM 1403 C HIS A 92 2.273 -7.926 0.164 1.00 0.00 C ATOM 1404 O HIS A 92 1.172 -8.092 -0.364 1.00 0.00 O ATOM 1405 CB HIS A 92 3.161 -9.056 2.228 1.00 0.00 C ATOM 1406 CG HIS A 92 2.551 -10.386 1.886 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.736 -11.033 0.681 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.779 -11.213 2.637 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.093 -12.203 0.740 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.495 -12.363 1.904 1.00 0.00 N ATOM 0 H HIS A 92 0.446 -8.466 2.121 1.00 0.00 H new ATOM 0 HA HIS A 92 2.979 -6.943 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.182 -9.032 1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.224 -8.970 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.439 -11.011 3.642 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.067 -12.925 -0.063 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.939 -13.163 2.206 1.00 0.00 H new ATOM 1418 N TRP A 93 3.400 -7.811 -0.527 1.00 0.00 N ATOM 1419 CA TRP A 93 3.431 -7.827 -1.982 1.00 0.00 C ATOM 1420 C TRP A 93 4.794 -8.311 -2.473 1.00 0.00 C ATOM 1421 O TRP A 93 5.833 -7.946 -1.917 1.00 0.00 O ATOM 1422 CB TRP A 93 3.134 -6.422 -2.535 1.00 0.00 C ATOM 1423 CG TRP A 93 4.067 -5.356 -2.027 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.282 -5.013 -2.545 1.00 0.00 C ATOM 1425 CD2 TRP A 93 3.857 -4.494 -0.904 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.838 -3.995 -1.813 1.00 0.00 N ATOM 1427 CE2 TRP A 93 4.985 -3.658 -0.800 1.00 0.00 C ATOM 1428 CE3 TRP A 93 2.827 -4.350 0.026 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.108 -2.693 0.194 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 2.950 -3.391 1.011 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.084 -2.572 1.087 1.00 0.00 C ATOM 0 H TRP A 93 4.317 -7.704 -0.094 1.00 0.00 H new ATOM 0 HA TRP A 93 2.665 -8.513 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.190 -6.451 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.111 -6.149 -2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.740 -5.476 -3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.742 -3.560 -1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 93 1.949 -4.978 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.983 -2.062 0.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.158 -3.270 1.736 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.149 -1.830 1.869 1.00 0.00 H new ATOM 1442 N LYS A 94 4.785 -9.156 -3.493 1.00 0.00 N ATOM 1443 CA LYS A 94 6.013 -9.606 -4.139 1.00 0.00 C ATOM 1444 C LYS A 94 6.293 -8.745 -5.367 1.00 0.00 C ATOM 1445 O LYS A 94 5.591 -8.849 -6.375 1.00 0.00 O ATOM 1446 CB LYS A 94 5.899 -11.086 -4.544 1.00 0.00 C ATOM 1447 CG LYS A 94 7.047 -11.571 -5.429 1.00 0.00 C ATOM 1448 CD LYS A 94 6.862 -13.023 -5.860 1.00 0.00 C ATOM 1449 CE LYS A 94 7.835 -13.413 -6.971 1.00 0.00 C ATOM 1450 NZ LYS A 94 9.255 -13.255 -6.564 1.00 0.00 N ATOM 0 H LYS A 94 3.934 -9.548 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 94 6.838 -9.506 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.863 -11.698 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.957 -11.238 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.117 -10.937 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.989 -11.470 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.009 -13.679 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.839 -13.173 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.656 -14.449 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.642 -12.799 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.875 -13.580 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.449 -12.253 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.437 -13.821 -5.711 1.00 0.00 H new ATOM 1464 N VAL A 95 7.303 -7.883 -5.276 1.00 0.00 N ATOM 1465 CA VAL A 95 7.657 -6.997 -6.381 1.00 0.00 C ATOM 1466 C VAL A 95 9.167 -6.946 -6.583 1.00 0.00 C ATOM 1467 O VAL A 95 9.942 -7.137 -5.641 1.00 0.00 O ATOM 1468 CB VAL A 95 7.139 -5.550 -6.167 1.00 0.00 C ATOM 1469 CG1 VAL A 95 5.614 -5.518 -6.091 1.00 0.00 C ATOM 1470 CG2 VAL A 95 7.760 -4.925 -4.918 1.00 0.00 C ATOM 0 H VAL A 95 7.890 -7.780 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 95 7.176 -7.414 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 95 7.444 -4.956 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.279 -4.492 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.195 -5.904 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.278 -6.135 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.380 -3.911 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.499 -5.522 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.844 -4.895 -5.027 1.00 0.00 H new ATOM 1480 N ASP A 96 9.556 -6.704 -7.829 1.00 0.00 N ATOM 1481 CA ASP A 96 10.949 -6.474 -8.214 1.00 0.00 C ATOM 1482 C ASP A 96 11.852 -7.663 -7.879 1.00 0.00 C ATOM 1483 O ASP A 96 12.187 -8.457 -8.765 1.00 0.00 O ATOM 1484 CB ASP A 96 11.485 -5.188 -7.568 1.00 0.00 C ATOM 1485 CG ASP A 96 12.848 -4.788 -8.111 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.995 -4.702 -9.348 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.771 -4.552 -7.306 1.00 0.00 O ATOM 0 H ASP A 96 8.906 -6.661 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 96 10.964 -6.358 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.777 -4.377 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.554 -5.329 -6.489 1.00 0.00 H new ATOM 1492 N ASN A 97 12.234 -7.802 -6.606 1.00 0.00 N ATOM 1493 CA ASN A 97 13.194 -8.833 -6.203 1.00 0.00 C ATOM 1494 C ASN A 97 12.765 -9.581 -4.938 1.00 0.00 C ATOM 1495 O ASN A 97 13.200 -10.710 -4.714 1.00 0.00 O ATOM 1496 CB ASN A 97 14.587 -8.216 -5.983 1.00 0.00 C ATOM 1497 CG ASN A 97 14.656 -7.320 -4.754 1.00 0.00 C ATOM 1498 OD1 ASN A 97 14.943 -7.780 -3.648 1.00 0.00 O ATOM 1499 ND2 ASN A 97 14.398 -6.035 -4.938 1.00 0.00 N ATOM 0 H ASN A 97 11.896 -7.218 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 97 13.230 -9.556 -7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.321 -9.016 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.864 -7.637 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.433 -5.390 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.164 -5.690 -5.869 1.00 0.00 H new ATOM 1506 N ARG A 98 11.914 -8.978 -4.110 1.00 0.00 N ATOM 1507 CA ARG A 98 11.587 -9.572 -2.811 1.00 0.00 C ATOM 1508 C ARG A 98 10.134 -9.283 -2.425 1.00 0.00 C ATOM 1509 O ARG A 98 9.423 -8.561 -3.128 1.00 0.00 O ATOM 1510 CB ARG A 98 12.554 -9.039 -1.730 1.00 0.00 C ATOM 1511 CG ARG A 98 12.907 -10.051 -0.634 1.00 0.00 C ATOM 1512 CD ARG A 98 13.680 -11.246 -1.193 1.00 0.00 C ATOM 1513 NE ARG A 98 14.252 -12.076 -0.131 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.004 -13.161 -0.339 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.230 -13.599 -1.570 1.00 0.00 N ATOM 1516 NH2 ARG A 98 15.528 -13.803 0.694 1.00 0.00 N ATOM 0 H ARG A 98 11.445 -8.094 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 98 11.702 -10.653 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.474 -8.712 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.109 -8.160 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.503 -9.560 0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.993 -10.401 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.015 -11.852 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 98 14.478 -10.889 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 98 14.063 -11.807 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.829 -13.107 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.805 -14.428 -1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.357 -13.469 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.103 -14.632 0.541 1.00 0.00 H new ATOM 1530 N LYS A 99 9.708 -9.856 -1.305 1.00 0.00 N ATOM 1531 CA LYS A 99 8.348 -9.685 -0.804 1.00 0.00 C ATOM 1532 C LYS A 99 8.344 -8.663 0.329 1.00 0.00 C ATOM 1533 O LYS A 99 8.845 -8.940 1.418 1.00 0.00 O ATOM 1534 CB LYS A 99 7.805 -11.031 -0.300 1.00 0.00 C ATOM 1535 CG LYS A 99 6.359 -10.981 0.193 1.00 0.00 C ATOM 1536 CD LYS A 99 5.947 -12.288 0.869 1.00 0.00 C ATOM 1537 CE LYS A 99 6.078 -13.486 -0.067 1.00 0.00 C ATOM 1538 NZ LYS A 99 5.803 -14.771 0.631 1.00 0.00 N ATOM 0 H LYS A 99 10.294 -10.451 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 99 7.709 -9.326 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.877 -11.763 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.441 -11.385 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.242 -10.156 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.695 -10.781 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.565 -12.449 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.916 -12.208 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.386 -13.371 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.083 -13.510 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.903 -15.559 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.479 -14.894 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.835 -14.760 1.010 1.00 0.00 H new ATOM 1552 N PHE A 100 7.803 -7.482 0.068 1.00 0.00 N ATOM 1553 CA PHE A 100 7.745 -6.420 1.070 1.00 0.00 C ATOM 1554 C PHE A 100 6.331 -6.336 1.629 1.00 0.00 C ATOM 1555 O PHE A 100 5.416 -6.932 1.069 1.00 0.00 O ATOM 1556 CB PHE A 100 8.164 -5.083 0.447 1.00 0.00 C ATOM 1557 CG PHE A 100 9.464 -5.161 -0.317 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.651 -5.473 0.333 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.498 -4.922 -1.684 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.841 -5.546 -0.365 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.687 -4.994 -2.385 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.859 -5.305 -1.725 1.00 0.00 C ATOM 0 H PHE A 100 7.395 -7.231 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 100 8.435 -6.645 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.376 -4.740 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 100 8.258 -4.336 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.644 -5.661 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.585 -4.677 -2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.757 -5.791 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.699 -4.807 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.789 -5.360 -2.271 1.00 0.00 H new ATOM 1572 N GLY A 101 6.145 -5.617 2.732 1.00 0.00 N ATOM 1573 CA GLY A 101 4.824 -5.539 3.333 1.00 0.00 C ATOM 1574 C GLY A 101 4.660 -4.345 4.243 1.00 0.00 C ATOM 1575 O GLY A 101 5.597 -3.568 4.432 1.00 0.00 O ATOM 0 H GLY A 101 6.874 -5.093 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.074 -5.493 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.634 -6.450 3.900 1.00 0.00 H new ATOM 1579 N LEU A 102 3.464 -4.200 4.801 1.00 0.00 N ATOM 1580 CA LEU A 102 3.171 -3.124 5.740 1.00 0.00 C ATOM 1581 C LEU A 102 2.123 -3.566 6.761 1.00 0.00 C ATOM 1582 O LEU A 102 1.324 -4.473 6.498 1.00 0.00 O ATOM 1583 CB LEU A 102 2.717 -1.851 4.992 1.00 0.00 C ATOM 1584 CG LEU A 102 1.524 -1.998 4.018 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.192 -2.102 4.758 1.00 0.00 C ATOM 1586 CD2 LEU A 102 1.497 -0.834 3.030 1.00 0.00 C ATOM 0 H LEU A 102 2.675 -4.820 4.617 1.00 0.00 H new ATOM 0 HA LEU A 102 4.086 -2.885 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.458 -1.096 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.568 -1.466 4.430 1.00 0.00 H new ATOM 0 HG LEU A 102 1.664 -2.928 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.618 -2.204 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.206 -2.973 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.036 -1.203 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.652 -0.952 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.396 0.104 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.424 -0.822 2.456 1.00 0.00 H new ATOM 1598 N THR A 103 2.152 -2.932 7.925 1.00 0.00 N ATOM 1599 CA THR A 103 1.165 -3.162 8.969 1.00 0.00 C ATOM 1600 C THR A 103 0.197 -1.981 9.034 1.00 0.00 C ATOM 1601 O THR A 103 0.623 -0.822 9.105 1.00 0.00 O ATOM 1602 CB THR A 103 1.852 -3.351 10.340 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.775 -4.447 10.270 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.833 -3.614 11.448 1.00 0.00 C ATOM 0 H THR A 103 2.862 -2.243 8.172 1.00 0.00 H new ATOM 0 HA THR A 103 0.614 -4.072 8.730 1.00 0.00 H new ATOM 0 HB THR A 103 2.382 -2.429 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.968 -4.771 11.175 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.353 -3.742 12.398 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.148 -2.769 11.520 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.270 -4.519 11.218 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.098 -2.280 8.992 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.134 -1.248 9.008 1.00 0.00 C ATOM 1614 C PHE A 104 -2.284 -0.637 10.399 1.00 0.00 C ATOM 1615 O PHE A 104 -1.728 -1.141 11.384 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.478 -1.823 8.543 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.497 -2.221 7.090 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.347 -1.262 6.097 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.680 -3.544 6.716 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.379 -1.618 4.762 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.711 -3.903 5.384 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.562 -2.939 4.405 1.00 0.00 C ATOM 0 H PHE A 104 -1.458 -3.233 8.946 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.827 -0.462 8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.721 -2.694 9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.259 -1.084 8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.204 -0.227 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.800 -4.302 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.261 -0.863 3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.852 -4.937 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.589 -3.219 3.362 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.041 0.450 10.471 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.271 1.158 11.724 1.00 0.00 C ATOM 1634 C GLN A 105 -4.697 0.907 12.216 1.00 0.00 C ATOM 1635 O GLN A 105 -4.938 0.756 13.419 1.00 0.00 O ATOM 1636 CB GLN A 105 -3.026 2.659 11.521 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.025 3.474 12.809 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.684 4.934 12.572 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.515 5.320 12.580 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -3.698 5.758 12.367 1.00 0.00 N ATOM 0 H GLN A 105 -3.511 0.865 9.666 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.578 0.788 12.479 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.068 2.794 11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.794 3.054 10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.006 3.405 13.280 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.306 3.045 13.506 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.653 5.401 12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.525 6.751 12.208 1.00 0.00 H new ATOM 1649 N SER A 106 -5.637 0.859 11.278 1.00 0.00 N ATOM 1650 CA SER A 106 -7.043 0.602 11.584 1.00 0.00 C ATOM 1651 C SER A 106 -7.724 -0.069 10.387 1.00 0.00 C ATOM 1652 O SER A 106 -7.253 0.056 9.259 1.00 0.00 O ATOM 1653 CB SER A 106 -7.754 1.923 11.921 1.00 0.00 C ATOM 1654 OG SER A 106 -7.097 2.611 12.978 1.00 0.00 O ATOM 0 H SER A 106 -5.448 0.997 10.285 1.00 0.00 H new ATOM 0 HA SER A 106 -7.104 -0.064 12.445 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.785 2.558 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.787 1.720 12.204 1.00 0.00 H new ATOM 0 HG SER A 106 -7.571 3.447 13.168 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.843 -0.796 10.605 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.599 -1.422 9.512 1.00 0.00 C ATOM 1662 C PRO A 107 -10.040 -0.399 8.460 1.00 0.00 C ATOM 1663 O PRO A 107 -10.299 -0.750 7.310 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.814 -2.065 10.206 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.865 -1.446 11.565 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.448 -1.086 11.918 1.00 0.00 C ATOM 0 HA PRO A 107 -8.996 -2.148 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.732 -1.872 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.703 -3.147 10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.503 -0.562 11.566 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.283 -2.141 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.404 -0.223 12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.938 -1.905 12.426 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.115 0.868 8.872 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.433 1.968 7.962 1.00 0.00 C ATOM 1676 C ALA A 108 -9.388 2.070 6.851 1.00 0.00 C ATOM 1677 O ALA A 108 -9.697 1.877 5.673 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.521 3.279 8.736 1.00 0.00 C ATOM 0 H ALA A 108 -9.958 1.158 9.837 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.400 1.768 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.758 4.092 8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.302 3.203 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.566 3.480 9.220 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.143 2.358 7.237 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.039 2.457 6.280 1.00 0.00 C ATOM 1686 C ASP A 109 -6.747 1.100 5.651 1.00 0.00 C ATOM 1687 O ASP A 109 -6.301 1.028 4.508 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.775 3.038 6.940 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.433 2.392 8.274 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.726 1.364 8.293 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.860 2.929 9.319 1.00 0.00 O ATOM 0 H ASP A 109 -7.874 2.527 8.206 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.344 3.143 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.932 2.917 6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.913 4.109 7.089 1.00 0.00 H new ATOM 1696 N ALA A 110 -7.019 0.032 6.393 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.870 -1.325 5.874 1.00 0.00 C ATOM 1698 C ALA A 110 -7.763 -1.537 4.653 1.00 0.00 C ATOM 1699 O ALA A 110 -7.297 -1.956 3.591 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.189 -2.352 6.956 1.00 0.00 C ATOM 0 H ALA A 110 -7.345 0.079 7.358 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.833 -1.461 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.072 -3.357 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.508 -2.219 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.215 -2.215 7.296 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.048 -1.226 4.810 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.019 -1.388 3.732 1.00 0.00 C ATOM 1708 C ARG A 111 -9.741 -0.388 2.613 1.00 0.00 C ATOM 1709 O ARG A 111 -9.762 -0.739 1.434 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.447 -1.196 4.257 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.526 -1.415 3.198 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.913 -1.040 3.708 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.993 0.374 4.088 1.00 0.00 N ATOM 1714 CZ ARG A 111 -14.437 1.350 3.289 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -14.793 1.089 2.038 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -14.513 2.593 3.741 1.00 0.00 N ATOM 0 H ARG A 111 -9.441 -0.859 5.677 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.924 -2.400 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.616 -1.886 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.544 -0.187 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.292 -0.821 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.524 -2.460 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -14.653 -1.251 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.164 -1.662 4.568 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.689 0.631 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -14.729 0.137 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -15.130 1.840 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.233 2.806 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -14.852 3.337 3.132 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.474 0.856 3.002 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.216 1.928 2.046 1.00 0.00 C ATOM 1732 C ALA A 112 -8.017 1.596 1.162 1.00 0.00 C ATOM 1733 O ALA A 112 -8.043 1.822 -0.049 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.988 3.246 2.780 1.00 0.00 C ATOM 0 H ALA A 112 -9.431 1.147 3.979 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.091 2.030 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.797 4.038 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.874 3.495 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.130 3.148 3.446 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.973 1.052 1.776 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.761 0.689 1.051 1.00 0.00 C ATOM 1742 C PHE A 113 -5.998 -0.564 0.210 1.00 0.00 C ATOM 1743 O PHE A 113 -5.515 -0.662 -0.915 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.599 0.464 2.029 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.271 0.207 1.353 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.523 1.259 0.840 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.771 -1.083 1.233 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.309 1.030 0.223 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.557 -1.316 0.617 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.825 -0.259 0.111 1.00 0.00 C ATOM 0 H PHE A 113 -6.941 0.852 2.776 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.499 1.510 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.505 1.338 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.838 -0.382 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.896 2.269 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.338 -1.914 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.739 1.858 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.180 -2.324 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.124 -0.440 -0.371 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.748 -1.516 0.766 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.069 -2.762 0.063 1.00 0.00 C ATOM 1762 C ASP A 114 -7.881 -2.472 -1.189 1.00 0.00 C ATOM 1763 O ASP A 114 -7.427 -2.692 -2.311 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.866 -3.703 0.974 1.00 0.00 C ATOM 1765 CG ASP A 114 -8.129 -5.059 0.331 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -7.157 -5.805 0.092 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -9.306 -5.399 0.094 1.00 0.00 O ATOM 0 H ASP A 114 -7.146 -1.449 1.703 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.131 -3.241 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.321 -3.847 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.817 -3.236 1.229 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.088 -1.972 -0.974 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.983 -1.596 -2.066 1.00 0.00 C ATOM 1774 C ARG A 115 -9.297 -0.575 -2.978 1.00 0.00 C ATOM 1775 O ARG A 115 -9.421 -0.641 -4.202 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.305 -1.039 -1.495 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.383 -0.721 -2.539 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.211 0.664 -3.162 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.243 0.947 -4.164 1.00 0.00 N ATOM 1780 CZ ARG A 115 -13.946 2.081 -4.222 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -13.745 3.046 -3.328 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -14.849 2.247 -5.177 1.00 0.00 N ATOM 0 H ARG A 115 -9.477 -1.815 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.217 -2.477 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.710 -1.762 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.086 -0.131 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.354 -1.475 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -13.366 -0.785 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.249 1.421 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.227 0.734 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.437 0.230 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.050 2.922 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.286 3.909 -3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.005 1.510 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.388 3.112 -5.225 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.566 0.358 -2.367 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.861 1.376 -3.127 1.00 0.00 C ATOM 1798 C GLY A 116 -6.863 0.784 -4.104 1.00 0.00 C ATOM 1799 O GLY A 116 -6.879 1.112 -5.294 1.00 0.00 O ATOM 0 H GLY A 116 -8.450 0.425 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.583 1.983 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.340 2.043 -2.440 1.00 0.00 H new ATOM 1803 N VAL A 117 -6.004 -0.106 -3.610 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.985 -0.725 -4.450 1.00 0.00 C ATOM 1805 C VAL A 117 -5.635 -1.665 -5.461 1.00 0.00 C ATOM 1806 O VAL A 117 -5.131 -1.836 -6.566 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.910 -1.490 -3.626 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.485 -2.740 -2.954 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.713 -1.848 -4.506 1.00 0.00 C ATOM 0 H VAL A 117 -5.994 -0.412 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.473 0.082 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.572 -0.824 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.700 -3.243 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.290 -2.452 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.875 -3.416 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.972 -2.383 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.043 -2.481 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.269 -0.936 -4.905 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.769 -2.252 -5.082 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.514 -3.129 -5.981 1.00 0.00 C ATOM 1821 C ARG A 118 -7.991 -2.354 -7.204 1.00 0.00 C ATOM 1822 O ARG A 118 -7.830 -2.806 -8.339 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.705 -3.788 -5.252 1.00 0.00 C ATOM 1824 CG ARG A 118 -8.435 -5.228 -4.816 1.00 0.00 C ATOM 1825 CD ARG A 118 -7.224 -5.334 -3.896 1.00 0.00 C ATOM 1826 NE ARG A 118 -6.742 -6.711 -3.793 1.00 0.00 N ATOM 1827 CZ ARG A 118 -5.659 -7.078 -3.106 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -5.006 -6.195 -2.358 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -5.252 -8.341 -3.147 1.00 0.00 N ATOM 0 H ARG A 118 -7.191 -2.136 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.846 -3.923 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.957 -3.193 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.575 -3.773 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.313 -5.622 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.275 -5.849 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.424 -4.696 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.487 -4.965 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.268 -7.438 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.332 -5.230 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.179 -6.482 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.767 -9.025 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.425 -8.627 -2.624 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.559 -1.174 -6.970 1.00 0.00 N ATOM 1844 CA LYS A 119 -9.013 -0.322 -8.062 1.00 0.00 C ATOM 1845 C LYS A 119 -7.817 0.158 -8.887 1.00 0.00 C ATOM 1846 O LYS A 119 -7.871 0.190 -10.118 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.812 0.873 -7.522 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.379 1.776 -8.617 1.00 0.00 C ATOM 1849 CD LYS A 119 -11.296 1.010 -9.569 1.00 0.00 C ATOM 1850 CE LYS A 119 -11.778 1.887 -10.718 1.00 0.00 C ATOM 1851 NZ LYS A 119 -12.668 1.156 -11.653 1.00 0.00 N ATOM 0 H LYS A 119 -8.715 -0.789 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.671 -0.905 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.632 0.503 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.168 1.465 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.933 2.596 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.559 2.221 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.765 0.146 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.155 0.628 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.309 2.750 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.917 2.270 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -12.424 1.407 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.547 0.132 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.657 1.416 -11.465 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.735 0.511 -8.195 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.502 0.935 -8.855 1.00 0.00 C ATOM 1867 C ALA A 120 -5.000 -0.155 -9.799 1.00 0.00 C ATOM 1868 O ALA A 120 -4.643 0.118 -10.948 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.437 1.282 -7.817 1.00 0.00 C ATOM 0 H ALA A 120 -6.688 0.512 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.712 1.828 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.524 1.596 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.797 2.092 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.228 0.406 -7.203 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.995 -1.394 -9.311 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.586 -2.542 -10.114 1.00 0.00 C ATOM 1877 C ILE A 121 -5.550 -2.745 -11.278 1.00 0.00 C ATOM 1878 O ILE A 121 -5.130 -3.060 -12.391 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.509 -3.843 -9.264 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.415 -3.723 -8.187 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.260 -5.068 -10.151 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -2.027 -3.474 -8.742 1.00 0.00 C ATOM 0 H ILE A 121 -5.272 -1.628 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.588 -2.331 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.470 -3.977 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.675 -2.910 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.400 -4.639 -7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.211 -5.963 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.074 -5.169 -10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.318 -4.945 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.314 -3.402 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.744 -4.298 -9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.023 -2.543 -9.308 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.838 -2.535 -11.018 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.869 -2.697 -12.038 1.00 0.00 C ATOM 1896 C GLU A 122 -7.588 -1.785 -13.235 1.00 0.00 C ATOM 1897 O GLU A 122 -7.569 -2.242 -14.382 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.257 -2.399 -11.445 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.411 -2.667 -12.406 1.00 0.00 C ATOM 1900 CD GLU A 122 -11.771 -2.461 -11.764 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -12.170 -3.290 -10.919 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -12.452 -1.468 -12.097 1.00 0.00 O ATOM 0 H GLU A 122 -7.193 -2.251 -10.105 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.855 -3.730 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.396 -3.004 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.292 -1.355 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.319 -2.009 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.340 -3.690 -12.776 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.352 -0.502 -12.962 1.00 0.00 N ATOM 1910 CA ASP A 123 -7.042 0.468 -14.016 1.00 0.00 C ATOM 1911 C ASP A 123 -5.645 0.224 -14.586 1.00 0.00 C ATOM 1912 O ASP A 123 -5.379 0.524 -15.755 1.00 0.00 O ATOM 1913 CB ASP A 123 -7.133 1.913 -13.496 1.00 0.00 C ATOM 1914 CG ASP A 123 -8.553 2.352 -13.170 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -9.395 2.412 -14.097 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -8.829 2.676 -11.996 1.00 0.00 O ATOM 0 H ASP A 123 -7.369 -0.109 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.783 0.332 -14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.517 2.008 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.715 2.587 -14.244 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.756 -0.307 -13.749 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.383 -0.595 -14.158 1.00 0.00 C ATOM 1923 C LEU A 124 -3.341 -1.690 -15.221 1.00 0.00 C ATOM 1924 O LEU A 124 -2.764 -1.505 -16.294 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.536 -1.027 -12.951 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.090 -1.447 -13.280 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.308 -0.281 -13.887 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.385 -1.987 -12.037 1.00 0.00 C ATOM 0 H LEU A 124 -4.963 -0.547 -12.780 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.970 0.321 -14.580 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.505 -0.204 -12.236 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.036 -1.860 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.131 -2.247 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.709 -0.602 -14.110 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.796 0.045 -14.806 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.280 0.546 -13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.634 -2.277 -12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.360 -1.214 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.925 -2.855 -11.661 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.951 -2.828 -14.913 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.881 -4.002 -15.780 1.00 0.00 C ATOM 1942 C ILE A 125 -4.915 -3.922 -16.903 1.00 0.00 C ATOM 1943 O ILE A 125 -4.634 -4.320 -18.033 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.078 -5.321 -14.978 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -3.786 -6.545 -15.867 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -5.488 -5.408 -14.390 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -2.360 -6.605 -16.373 1.00 0.00 C ATOM 0 H ILE A 125 -4.502 -2.965 -14.066 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.883 -4.012 -16.219 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.370 -5.317 -14.150 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.000 -7.452 -15.302 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.464 -6.533 -16.720 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.594 -6.341 -13.836 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.655 -4.566 -13.719 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.221 -5.380 -15.196 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.230 -7.493 -16.991 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.147 -5.716 -16.966 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.675 -6.649 -15.526 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.096 -3.388 -16.580 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.209 -3.309 -17.523 1.00 0.00 C ATOM 1961 C GLU A 126 -7.593 -4.720 -18.001 1.00 0.00 C ATOM 1962 O GLU A 126 -7.175 -5.137 -19.104 1.00 0.00 O ATOM 1963 CB GLU A 126 -6.855 -2.379 -18.699 1.00 0.00 C ATOM 1964 CG GLU A 126 -8.018 -2.095 -19.647 1.00 0.00 C ATOM 1965 CD GLU A 126 -7.670 -1.060 -20.706 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -7.064 -1.430 -21.733 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -8.003 0.133 -20.512 1.00 0.00 O ATOM 1968 OXT GLU A 126 -8.288 -5.425 -17.240 1.00 0.00 O ATOM 0 H GLU A 126 -6.305 -3.000 -15.660 1.00 0.00 H new ATOM 0 HA GLU A 126 -8.076 -2.879 -17.022 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.487 -1.433 -18.301 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.039 -2.825 -19.267 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -8.319 -3.022 -20.135 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.875 -1.746 -19.071 1.00 0.00 H new