USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 643 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 74 ASN : amide:sc= -0.0174 K(o=-2.9,f=-4.4) USER MOD Set 1.2: A 95 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.4!) USER MOD Single : A 15 SER OG : rot 11:sc= 0.833 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -133:sc= -0.176 (180deg=-0.908) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc=-0.00978 X(o=-0.0098,f=-0.17) USER MOD Single : A 57 SER OG : rot 180:sc= -0.629 USER MOD Single : A 59 ASN : amide:sc= -0.926 X(o=-0.93,f=-0.55) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 62 ASN : amide:sc= -1.27! C(o=-1.3!,f=-3.5!) USER MOD Single : A 65 HIS : no HD1:sc= -2.97! C(o=-3!,f=-2.6!) USER MOD Single : A 76 THR OG1 : rot 62:sc= 1.07 USER MOD Single : A 80 THR OG1 : rot 175:sc= -0.858 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.97 K(o=-2,f=-3.3!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.985 -9.027 -0.807 1.00 0.00 N ATOM 183 CA SER A 15 -16.095 -7.719 -1.442 1.00 0.00 C ATOM 184 C SER A 15 -14.717 -7.097 -1.647 1.00 0.00 C ATOM 185 O SER A 15 -13.782 -7.370 -0.895 1.00 0.00 O ATOM 186 CB SER A 15 -16.966 -6.788 -0.596 1.00 0.00 C ATOM 187 OG SER A 15 -17.656 -7.510 0.409 1.00 0.00 O ATOM 0 HA SER A 15 -16.562 -7.855 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.343 -6.021 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.683 -6.274 -1.236 1.00 0.00 H new ATOM 0 HG SER A 15 -17.298 -8.421 0.462 1.00 0.00 H new ATOM 193 N VAL A 16 -14.599 -6.259 -2.672 1.00 0.00 N ATOM 194 CA VAL A 16 -13.337 -5.596 -2.977 1.00 0.00 C ATOM 195 C VAL A 16 -13.459 -4.084 -2.826 1.00 0.00 C ATOM 196 O VAL A 16 -14.563 -3.542 -2.759 1.00 0.00 O ATOM 197 CB VAL A 16 -12.863 -5.922 -4.406 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.472 -5.357 -4.649 1.00 0.00 C ATOM 199 CG2 VAL A 16 -12.886 -7.424 -4.645 1.00 0.00 C ATOM 0 H VAL A 16 -15.363 -6.023 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.603 -5.971 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.548 -5.454 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.154 -5.597 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.492 -4.275 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.772 -5.794 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.548 -7.636 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.225 -7.916 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.902 -7.798 -4.515 1.00 0.00 H new ATOM 209 N THR A 17 -12.317 -3.406 -2.774 1.00 0.00 N ATOM 210 CA THR A 17 -12.295 -1.956 -2.630 1.00 0.00 C ATOM 211 C THR A 17 -11.117 -1.347 -3.381 1.00 0.00 C ATOM 212 O THR A 17 -10.050 -1.954 -3.481 1.00 0.00 O ATOM 213 CB THR A 17 -12.216 -1.539 -1.149 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.133 -2.317 -0.372 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.533 -0.060 -0.986 1.00 0.00 C ATOM 0 H THR A 17 -11.395 -3.838 -2.830 1.00 0.00 H new ATOM 0 HA THR A 17 -13.226 -1.582 -3.056 1.00 0.00 H new ATOM 0 HB THR A 17 -11.200 -1.717 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.076 -2.047 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.471 0.211 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.816 0.531 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.540 0.139 -1.353 1.00 0.00 H new ATOM 223 N LEU A 18 -11.315 -0.143 -3.908 1.00 0.00 N ATOM 224 CA LEU A 18 -10.268 0.549 -4.650 1.00 0.00 C ATOM 225 C LEU A 18 -10.222 2.027 -4.276 1.00 0.00 C ATOM 226 O LEU A 18 -11.232 2.728 -4.351 1.00 0.00 O ATOM 227 CB LEU A 18 -10.497 0.399 -6.155 1.00 0.00 C ATOM 228 CG LEU A 18 -9.509 1.135 -7.061 1.00 0.00 C ATOM 229 CD1 LEU A 18 -9.928 2.586 -7.239 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.100 1.051 -6.494 1.00 0.00 C ATOM 0 H LEU A 18 -12.191 0.374 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.312 0.097 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.466 -0.662 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.502 0.751 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.514 0.653 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.213 3.094 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.919 2.626 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.952 3.080 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.411 1.580 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.078 1.507 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.800 0.006 -6.419 1.00 0.00 H new ATOM 242 N ILE A 19 -9.044 2.495 -3.876 1.00 0.00 N ATOM 243 CA ILE A 19 -8.867 3.891 -3.494 1.00 0.00 C ATOM 244 C ILE A 19 -7.921 4.607 -4.452 1.00 0.00 C ATOM 245 O ILE A 19 -6.856 4.090 -4.791 1.00 0.00 O ATOM 246 CB ILE A 19 -8.320 4.017 -2.060 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.161 3.041 -1.845 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.426 3.764 -1.047 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.565 1.771 -1.131 1.00 0.00 C ATOM 0 H ILE A 19 -8.199 1.928 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.851 4.359 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.948 5.031 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.730 2.783 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.380 3.538 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.024 3.857 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.223 4.494 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.825 2.760 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.694 1.127 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.969 2.018 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.324 1.251 -1.715 1.00 0.00 H new ATOM 261 N SER A 20 -8.316 5.800 -4.883 1.00 0.00 N ATOM 262 CA SER A 20 -7.504 6.587 -5.804 1.00 0.00 C ATOM 263 C SER A 20 -7.207 7.967 -5.224 1.00 0.00 C ATOM 264 O SER A 20 -8.068 8.846 -5.215 1.00 0.00 O ATOM 265 CB SER A 20 -8.216 6.731 -7.151 1.00 0.00 C ATOM 266 OG SER A 20 -9.406 5.962 -7.182 1.00 0.00 O ATOM 0 H SER A 20 -9.193 6.243 -4.610 1.00 0.00 H new ATOM 0 HA SER A 20 -6.560 6.064 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.452 7.780 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.551 6.411 -7.954 1.00 0.00 H new ATOM 0 HG SER A 20 -9.844 6.072 -8.052 1.00 0.00 H new ATOM 272 N MET A 21 -5.983 8.147 -4.740 1.00 0.00 N ATOM 273 CA MET A 21 -5.571 9.419 -4.158 1.00 0.00 C ATOM 274 C MET A 21 -4.297 9.933 -4.822 1.00 0.00 C ATOM 275 O MET A 21 -3.406 9.167 -5.186 1.00 0.00 O ATOM 276 CB MET A 21 -5.350 9.268 -2.652 1.00 0.00 C ATOM 277 CG MET A 21 -5.858 7.949 -2.092 1.00 0.00 C ATOM 278 SD MET A 21 -5.372 7.690 -0.375 1.00 0.00 S ATOM 279 CE MET A 21 -4.873 5.970 -0.421 1.00 0.00 C ATOM 0 H MET A 21 -5.259 7.428 -4.739 1.00 0.00 H new ATOM 0 HA MET A 21 -6.367 10.143 -4.330 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.285 9.358 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.849 10.088 -2.136 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.945 7.922 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.477 7.129 -2.701 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.319 5.439 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.209 5.519 -1.355 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.787 5.904 -0.356 1.00 0.00 H new ATOM 289 N PRO A 22 -4.208 11.262 -4.984 1.00 0.00 N ATOM 290 CA PRO A 22 -3.048 11.908 -5.604 1.00 0.00 C ATOM 291 C PRO A 22 -1.804 11.833 -4.725 1.00 0.00 C ATOM 292 O PRO A 22 -1.882 11.466 -3.553 1.00 0.00 O ATOM 293 CB PRO A 22 -3.498 13.361 -5.772 1.00 0.00 C ATOM 294 CG PRO A 22 -4.536 13.560 -4.721 1.00 0.00 C ATOM 295 CD PRO A 22 -5.234 12.236 -4.573 1.00 0.00 C ATOM 0 HA PRO A 22 -2.764 11.425 -6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.665 14.051 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.904 13.537 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.083 13.870 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.239 14.342 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.561 12.067 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.121 12.176 -5.204 1.00 0.00 H new ATOM 303 N ALA A 23 -0.658 12.185 -5.298 1.00 0.00 N ATOM 304 CA ALA A 23 0.602 12.160 -4.565 1.00 0.00 C ATOM 305 C ALA A 23 0.531 13.040 -3.322 1.00 0.00 C ATOM 306 O ALA A 23 -0.551 13.447 -2.897 1.00 0.00 O ATOM 307 CB ALA A 23 1.745 12.606 -5.465 1.00 0.00 C ATOM 0 H ALA A 23 -0.576 12.491 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 23 0.786 11.135 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.680 12.583 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.818 11.934 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.557 13.621 -5.815 1.00 0.00 H new ATOM 391 N ARG A 29 5.168 9.388 3.934 1.00 0.00 N ATOM 392 CA ARG A 29 4.037 8.483 3.765 1.00 0.00 C ATOM 393 C ARG A 29 3.192 8.426 5.035 1.00 0.00 C ATOM 394 O ARG A 29 3.719 8.461 6.146 1.00 0.00 O ATOM 395 CB ARG A 29 4.529 7.080 3.404 1.00 0.00 C ATOM 396 CG ARG A 29 5.802 6.675 4.130 1.00 0.00 C ATOM 397 CD ARG A 29 6.996 6.650 3.188 1.00 0.00 C ATOM 398 NE ARG A 29 8.156 6.000 3.793 1.00 0.00 N ATOM 399 CZ ARG A 29 9.329 5.876 3.182 1.00 0.00 C ATOM 400 NH1 ARG A 29 9.498 6.354 1.958 1.00 0.00 N ATOM 401 NH2 ARG A 29 10.338 5.271 3.798 1.00 0.00 N ATOM 0 HA ARG A 29 3.417 8.864 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.745 6.359 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.702 7.030 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.995 7.372 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.669 5.690 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.724 6.126 2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.258 7.670 2.907 1.00 0.00 H new ATOM 0 HE ARG A 29 8.060 5.621 4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.726 6.819 1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.400 6.257 1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.212 4.901 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.239 5.176 3.329 1.00 0.00 H new ATOM 415 N GLY A 30 1.877 8.338 4.860 1.00 0.00 N ATOM 416 CA GLY A 30 0.980 8.278 6.000 1.00 0.00 C ATOM 417 C GLY A 30 0.692 6.856 6.437 1.00 0.00 C ATOM 418 O GLY A 30 0.128 6.630 7.508 1.00 0.00 O ATOM 0 H GLY A 30 1.417 8.307 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.418 8.829 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.043 8.774 5.747 1.00 0.00 H new ATOM 422 N PHE A 31 1.077 5.893 5.605 1.00 0.00 N ATOM 423 CA PHE A 31 0.854 4.485 5.910 1.00 0.00 C ATOM 424 C PHE A 31 1.968 3.620 5.329 1.00 0.00 C ATOM 425 O PHE A 31 2.376 3.802 4.182 1.00 0.00 O ATOM 426 CB PHE A 31 -0.500 4.031 5.360 1.00 0.00 C ATOM 427 CG PHE A 31 -0.465 3.675 3.902 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.045 2.420 3.491 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.852 4.595 2.941 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.013 2.089 2.149 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.822 4.270 1.598 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.401 3.016 1.202 1.00 0.00 C ATOM 0 H PHE A 31 1.545 6.063 4.715 1.00 0.00 H new ATOM 0 HA PHE A 31 0.856 4.368 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.843 3.167 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.231 4.825 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.261 1.692 4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.181 5.578 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.315 1.107 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.127 4.996 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.375 2.761 0.153 1.00 0.00 H new ATOM 442 N SER A 32 2.457 2.678 6.130 1.00 0.00 N ATOM 443 CA SER A 32 3.527 1.787 5.697 1.00 0.00 C ATOM 444 C SER A 32 2.968 0.432 5.273 1.00 0.00 C ATOM 445 O SER A 32 1.794 0.135 5.496 1.00 0.00 O ATOM 446 CB SER A 32 4.549 1.600 6.820 1.00 0.00 C ATOM 447 OG SER A 32 5.745 1.019 6.330 1.00 0.00 O ATOM 0 H SER A 32 2.129 2.512 7.082 1.00 0.00 H new ATOM 0 HA SER A 32 4.020 2.242 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.771 2.564 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.126 0.966 7.599 1.00 0.00 H new ATOM 0 HG SER A 32 6.382 0.912 7.067 1.00 0.00 H new ATOM 453 N VAL A 33 3.817 -0.387 4.661 1.00 0.00 N ATOM 454 CA VAL A 33 3.410 -1.711 4.206 1.00 0.00 C ATOM 455 C VAL A 33 4.554 -2.710 4.330 1.00 0.00 C ATOM 456 O VAL A 33 5.724 -2.330 4.376 1.00 0.00 O ATOM 457 CB VAL A 33 2.928 -1.678 2.743 1.00 0.00 C ATOM 458 CG1 VAL A 33 2.031 -0.474 2.503 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.116 -1.666 1.792 1.00 0.00 C ATOM 0 H VAL A 33 4.792 -0.157 4.469 1.00 0.00 H new ATOM 0 HA VAL A 33 2.585 -2.026 4.845 1.00 0.00 H new ATOM 0 HB VAL A 33 2.345 -2.579 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.701 -0.468 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.163 -0.530 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.586 0.441 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.758 -1.643 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.727 -0.784 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.715 -2.563 1.947 1.00 0.00 H new ATOM 469 N THR A 34 4.208 -3.993 4.384 1.00 0.00 N ATOM 470 CA THR A 34 5.206 -5.049 4.504 1.00 0.00 C ATOM 471 C THR A 34 5.157 -5.990 3.305 1.00 0.00 C ATOM 472 O THR A 34 4.083 -6.412 2.878 1.00 0.00 O ATOM 473 CB THR A 34 5.005 -5.868 5.793 1.00 0.00 C ATOM 474 OG1 THR A 34 5.697 -5.245 6.881 1.00 0.00 O ATOM 475 CG2 THR A 34 5.509 -7.292 5.614 1.00 0.00 C ATOM 0 H THR A 34 3.244 -4.325 4.347 1.00 0.00 H new ATOM 0 HA THR A 34 6.180 -4.561 4.540 1.00 0.00 H new ATOM 0 HB THR A 34 3.938 -5.903 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.563 -5.770 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.356 -7.851 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.961 -7.773 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.572 -7.274 5.372 1.00 0.00 H new ATOM 483 N VAL A 35 6.328 -6.316 2.767 1.00 0.00 N ATOM 484 CA VAL A 35 6.419 -7.209 1.618 1.00 0.00 C ATOM 485 C VAL A 35 6.955 -8.576 2.026 1.00 0.00 C ATOM 486 O VAL A 35 8.055 -8.686 2.567 1.00 0.00 O ATOM 487 CB VAL A 35 7.325 -6.621 0.520 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.806 -7.717 -0.419 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.593 -5.532 -0.248 1.00 0.00 C ATOM 0 H VAL A 35 7.227 -5.975 3.108 1.00 0.00 H new ATOM 0 HA VAL A 35 5.409 -7.321 1.223 1.00 0.00 H new ATOM 0 HB VAL A 35 8.198 -6.174 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.445 -7.283 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.371 -8.458 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.947 -8.196 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.248 -5.128 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.701 -5.952 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.305 -4.735 0.437 1.00 0.00 H new ATOM 499 N GLU A 36 6.170 -9.617 1.763 1.00 0.00 N ATOM 500 CA GLU A 36 6.567 -10.978 2.104 1.00 0.00 C ATOM 501 C GLU A 36 6.896 -11.779 0.848 1.00 0.00 C ATOM 502 O GLU A 36 6.176 -11.715 -0.149 1.00 0.00 O ATOM 503 CB GLU A 36 5.455 -11.675 2.890 1.00 0.00 C ATOM 504 CG GLU A 36 5.721 -11.751 4.384 1.00 0.00 C ATOM 505 CD GLU A 36 5.435 -13.124 4.959 1.00 0.00 C ATOM 506 OE1 GLU A 36 6.045 -14.105 4.483 1.00 0.00 O ATOM 507 OE2 GLU A 36 4.601 -13.220 5.884 1.00 0.00 O ATOM 0 H GLU A 36 5.256 -9.543 1.315 1.00 0.00 H new ATOM 0 HA GLU A 36 7.462 -10.924 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.517 -11.146 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.325 -12.685 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.761 -11.490 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.106 -11.011 4.897 1.00 0.00 H new ATOM 514 N SER A 37 7.989 -12.533 0.903 1.00 0.00 N ATOM 515 CA SER A 37 8.417 -13.344 -0.230 1.00 0.00 C ATOM 516 C SER A 37 8.809 -14.747 0.222 1.00 0.00 C ATOM 517 O SER A 37 9.753 -14.922 0.993 1.00 0.00 O ATOM 518 CB SER A 37 9.595 -12.679 -0.945 1.00 0.00 C ATOM 519 OG SER A 37 10.599 -13.626 -1.264 1.00 0.00 O ATOM 0 H SER A 37 8.595 -12.599 1.721 1.00 0.00 H new ATOM 0 HA SER A 37 7.579 -13.425 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.245 -12.195 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.015 -11.898 -0.311 1.00 0.00 H new ATOM 0 HG SER A 37 11.340 -13.176 -1.721 1.00 0.00 H new ATOM 571 N TYR A 42 10.705 -11.592 -6.584 1.00 0.00 N ATOM 572 CA TYR A 42 9.436 -10.913 -6.820 1.00 0.00 C ATOM 573 C TYR A 42 8.480 -11.123 -5.649 1.00 0.00 C ATOM 574 O TYR A 42 8.244 -12.252 -5.221 1.00 0.00 O ATOM 575 CB TYR A 42 8.795 -11.419 -8.113 1.00 0.00 C ATOM 576 CG TYR A 42 8.246 -12.824 -8.007 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.046 -13.926 -8.281 1.00 0.00 C ATOM 578 CD2 TYR A 42 6.926 -13.049 -7.634 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.548 -15.211 -8.187 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.421 -14.330 -7.536 1.00 0.00 C ATOM 581 CZ TYR A 42 7.235 -15.408 -7.813 1.00 0.00 C ATOM 582 OH TYR A 42 6.735 -16.686 -7.718 1.00 0.00 O ATOM 0 HA TYR A 42 9.636 -9.846 -6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.988 -10.743 -8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.535 -11.386 -8.913 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.075 -13.776 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.285 -12.207 -7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.183 -16.057 -8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.393 -14.487 -7.244 1.00 0.00 H new ATOM 0 HH TYR A 42 5.795 -16.650 -7.442 1.00 0.00 H new ATOM 592 N ALA A 43 7.934 -10.025 -5.136 1.00 0.00 N ATOM 593 CA ALA A 43 7.002 -10.087 -4.017 1.00 0.00 C ATOM 594 C ALA A 43 5.935 -11.152 -4.250 1.00 0.00 C ATOM 595 O ALA A 43 5.726 -11.601 -5.378 1.00 0.00 O ATOM 596 CB ALA A 43 6.354 -8.729 -3.794 1.00 0.00 C ATOM 0 H ALA A 43 8.121 -9.082 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 43 7.563 -10.361 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.660 -8.790 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.124 -7.990 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.812 -8.433 -4.692 1.00 0.00 H new ATOM 602 N THR A 44 5.263 -11.554 -3.176 1.00 0.00 N ATOM 603 CA THR A 44 4.219 -12.568 -3.263 1.00 0.00 C ATOM 604 C THR A 44 2.933 -12.091 -2.597 1.00 0.00 C ATOM 605 O THR A 44 1.836 -12.317 -3.109 1.00 0.00 O ATOM 606 CB THR A 44 4.663 -13.889 -2.607 1.00 0.00 C ATOM 607 OG1 THR A 44 5.428 -14.664 -3.537 1.00 0.00 O ATOM 608 CG2 THR A 44 3.459 -14.692 -2.139 1.00 0.00 C ATOM 0 H THR A 44 5.423 -11.193 -2.236 1.00 0.00 H new ATOM 0 HA THR A 44 4.034 -12.741 -4.323 1.00 0.00 H new ATOM 0 HB THR A 44 5.279 -13.650 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.708 -15.502 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.797 -15.621 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.895 -14.110 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.821 -14.921 -2.992 1.00 0.00 H new ATOM 616 N THR A 45 3.074 -11.429 -1.453 1.00 0.00 N ATOM 617 CA THR A 45 1.923 -10.920 -0.718 1.00 0.00 C ATOM 618 C THR A 45 2.274 -9.643 0.038 1.00 0.00 C ATOM 619 O THR A 45 3.407 -9.467 0.487 1.00 0.00 O ATOM 620 CB THR A 45 1.389 -11.964 0.281 1.00 0.00 C ATOM 621 OG1 THR A 45 0.895 -13.108 -0.423 1.00 0.00 O ATOM 622 CG2 THR A 45 0.281 -11.373 1.140 1.00 0.00 C ATOM 0 H THR A 45 3.974 -11.233 -1.015 1.00 0.00 H new ATOM 0 HA THR A 45 1.149 -10.702 -1.454 1.00 0.00 H new ATOM 0 HB THR A 45 2.210 -12.265 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.559 -13.767 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.081 -12.128 1.838 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.668 -10.520 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.540 -11.047 0.501 1.00 0.00 H new ATOM 630 N VAL A 46 1.296 -8.754 0.175 1.00 0.00 N ATOM 631 CA VAL A 46 1.501 -7.494 0.878 1.00 0.00 C ATOM 632 C VAL A 46 0.432 -7.278 1.944 1.00 0.00 C ATOM 633 O VAL A 46 -0.710 -7.708 1.786 1.00 0.00 O ATOM 634 CB VAL A 46 1.488 -6.300 -0.095 1.00 0.00 C ATOM 635 CG1 VAL A 46 2.102 -5.071 0.559 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.222 -6.652 -1.380 1.00 0.00 C ATOM 0 H VAL A 46 0.353 -8.883 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 46 2.479 -7.554 1.356 1.00 0.00 H new ATOM 0 HB VAL A 46 0.453 -6.070 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.084 -4.238 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.530 -4.808 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.133 -5.286 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.203 -5.797 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.256 -6.910 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.734 -7.502 -1.857 1.00 0.00 H new ATOM 646 N GLN A 47 0.811 -6.609 3.028 1.00 0.00 N ATOM 647 CA GLN A 47 -0.116 -6.337 4.120 1.00 0.00 C ATOM 648 C GLN A 47 0.108 -4.940 4.689 1.00 0.00 C ATOM 649 O GLN A 47 1.232 -4.439 4.706 1.00 0.00 O ATOM 650 CB GLN A 47 0.044 -7.383 5.225 1.00 0.00 C ATOM 651 CG GLN A 47 -0.451 -8.765 4.831 1.00 0.00 C ATOM 652 CD GLN A 47 -0.237 -9.794 5.923 1.00 0.00 C ATOM 653 OE1 GLN A 47 0.789 -9.789 6.605 1.00 0.00 O ATOM 654 NE2 GLN A 47 -1.206 -10.686 6.095 1.00 0.00 N ATOM 0 H GLN A 47 1.753 -6.246 3.173 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.130 -6.389 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.096 -7.448 5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.499 -7.050 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.513 -8.712 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.065 -9.088 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.039 -10.654 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.117 -11.403 6.815 1.00 0.00 H new ATOM 663 N VAL A 48 -0.970 -4.315 5.153 1.00 0.00 N ATOM 664 CA VAL A 48 -0.891 -2.976 5.723 1.00 0.00 C ATOM 665 C VAL A 48 -0.565 -3.031 7.211 1.00 0.00 C ATOM 666 O VAL A 48 -1.313 -3.607 8.002 1.00 0.00 O ATOM 667 CB VAL A 48 -2.208 -2.203 5.525 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.016 -0.729 5.848 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.724 -2.384 4.106 1.00 0.00 C ATOM 0 H VAL A 48 -1.908 -4.715 5.145 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.091 -2.455 5.198 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.952 -2.606 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.957 -0.199 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.696 -0.622 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.257 -0.308 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.655 -1.831 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.984 -2.009 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.903 -3.442 3.916 1.00 0.00 H new ATOM 679 N LYS A 49 0.557 -2.427 7.589 1.00 0.00 N ATOM 680 CA LYS A 49 0.983 -2.404 8.983 1.00 0.00 C ATOM 681 C LYS A 49 0.261 -1.303 9.754 1.00 0.00 C ATOM 682 O LYS A 49 -0.546 -1.581 10.640 1.00 0.00 O ATOM 683 CB LYS A 49 2.496 -2.196 9.072 1.00 0.00 C ATOM 684 CG LYS A 49 3.153 -2.982 10.193 1.00 0.00 C ATOM 685 CD LYS A 49 4.178 -2.142 10.937 1.00 0.00 C ATOM 686 CE LYS A 49 3.590 -1.539 12.204 1.00 0.00 C ATOM 687 NZ LYS A 49 4.051 -2.257 13.425 1.00 0.00 N ATOM 0 H LYS A 49 1.188 -1.946 6.948 1.00 0.00 H new ATOM 0 HA LYS A 49 0.728 -3.364 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.950 -2.483 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.701 -1.135 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.391 -3.329 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.637 -3.868 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.040 -2.759 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.538 -1.345 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.873 -0.489 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.502 -1.573 12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.629 -1.816 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.759 -3.254 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.088 -2.203 13.489 1.00 0.00 H new ATOM 701 N GLU A 50 0.558 -0.054 9.410 1.00 0.00 N ATOM 702 CA GLU A 50 -0.064 1.088 10.071 1.00 0.00 C ATOM 703 C GLU A 50 -0.595 2.086 9.047 1.00 0.00 C ATOM 704 O GLU A 50 -0.223 2.047 7.874 1.00 0.00 O ATOM 705 CB GLU A 50 0.939 1.777 10.999 1.00 0.00 C ATOM 706 CG GLU A 50 2.383 1.632 10.549 1.00 0.00 C ATOM 707 CD GLU A 50 3.370 2.134 11.585 1.00 0.00 C ATOM 708 OE1 GLU A 50 2.924 2.553 12.674 1.00 0.00 O ATOM 709 OE2 GLU A 50 4.587 2.109 11.307 1.00 0.00 O ATOM 0 H GLU A 50 1.225 0.193 8.678 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.902 0.720 10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.692 2.837 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.837 1.363 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.589 0.583 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.527 2.182 9.619 1.00 0.00 H new ATOM 716 N VAL A 51 -1.467 2.982 9.499 1.00 0.00 N ATOM 717 CA VAL A 51 -2.050 3.991 8.623 1.00 0.00 C ATOM 718 C VAL A 51 -2.383 5.263 9.396 1.00 0.00 C ATOM 719 O VAL A 51 -2.854 5.206 10.531 1.00 0.00 O ATOM 720 CB VAL A 51 -3.327 3.471 7.938 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.750 4.405 6.815 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.114 2.058 7.416 1.00 0.00 C ATOM 0 H VAL A 51 -1.785 3.029 10.467 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.305 4.216 7.860 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.129 3.444 8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.654 4.021 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.947 5.397 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.953 4.468 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.027 1.706 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.299 2.056 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.864 1.397 8.246 1.00 0.00 H new ATOM 732 N ASN A 52 -2.134 6.410 8.772 1.00 0.00 N ATOM 733 CA ASN A 52 -2.407 7.697 9.401 1.00 0.00 C ATOM 734 C ASN A 52 -3.602 8.381 8.744 1.00 0.00 C ATOM 735 O ASN A 52 -3.640 8.549 7.525 1.00 0.00 O ATOM 736 CB ASN A 52 -1.176 8.602 9.316 1.00 0.00 C ATOM 737 CG ASN A 52 -0.111 8.225 10.328 1.00 0.00 C ATOM 738 OD1 ASN A 52 0.080 7.049 10.637 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.590 9.226 10.849 1.00 0.00 N ATOM 0 H ASN A 52 -1.744 6.474 7.832 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.645 7.517 10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.756 8.546 8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.477 9.637 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.321 9.034 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.398 10.186 10.564 1.00 0.00 H new ATOM 746 N ARG A 53 -4.574 8.775 9.559 1.00 0.00 N ATOM 747 CA ARG A 53 -5.770 9.441 9.057 1.00 0.00 C ATOM 748 C ARG A 53 -5.537 10.942 8.915 1.00 0.00 C ATOM 749 O ARG A 53 -6.281 11.632 8.218 1.00 0.00 O ATOM 750 CB ARG A 53 -6.953 9.183 9.992 1.00 0.00 C ATOM 751 CG ARG A 53 -7.167 7.713 10.312 1.00 0.00 C ATOM 752 CD ARG A 53 -8.110 7.532 11.492 1.00 0.00 C ATOM 753 NE ARG A 53 -7.732 6.393 12.325 1.00 0.00 N ATOM 754 CZ ARG A 53 -6.686 6.397 13.143 1.00 0.00 C ATOM 755 NH1 ARG A 53 -5.918 7.474 13.238 1.00 0.00 N ATOM 756 NH2 ARG A 53 -6.405 5.323 13.869 1.00 0.00 N ATOM 0 H ARG A 53 -4.557 8.645 10.571 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.998 9.032 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.796 9.729 10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.859 9.583 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.574 7.205 9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.208 7.245 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.112 8.439 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.127 7.391 11.125 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.302 5.549 12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.130 8.302 12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.115 7.474 13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.993 4.492 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.601 5.328 14.497 1.00 0.00 H new ATOM 770 N MET A 54 -4.501 11.441 9.582 1.00 0.00 N ATOM 771 CA MET A 54 -4.171 12.860 9.529 1.00 0.00 C ATOM 772 C MET A 54 -3.466 13.206 8.222 1.00 0.00 C ATOM 773 O MET A 54 -3.108 14.360 7.984 1.00 0.00 O ATOM 774 CB MET A 54 -3.286 13.244 10.717 1.00 0.00 C ATOM 775 CG MET A 54 -4.070 13.640 11.957 1.00 0.00 C ATOM 776 SD MET A 54 -5.422 12.502 12.316 1.00 0.00 S ATOM 777 CE MET A 54 -6.546 13.580 13.201 1.00 0.00 C ATOM 0 H MET A 54 -3.876 10.884 10.165 1.00 0.00 H new ATOM 0 HA MET A 54 -5.101 13.426 9.580 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.636 12.404 10.961 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.640 14.073 10.426 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.395 13.678 12.812 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.471 14.644 11.823 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.435 13.020 13.491 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.053 13.966 14.093 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.835 14.411 12.558 1.00 0.00 H new ATOM 787 N HIS A 55 -3.268 12.199 7.377 1.00 0.00 N ATOM 788 CA HIS A 55 -2.605 12.398 6.092 1.00 0.00 C ATOM 789 C HIS A 55 -3.548 12.072 4.938 1.00 0.00 C ATOM 790 O HIS A 55 -3.568 12.770 3.925 1.00 0.00 O ATOM 791 CB HIS A 55 -1.350 11.529 6.002 1.00 0.00 C ATOM 792 CG HIS A 55 -0.374 11.992 4.965 1.00 0.00 C ATOM 793 ND1 HIS A 55 0.113 13.281 4.913 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.208 11.329 3.939 1.00 0.00 C ATOM 795 CE1 HIS A 55 0.950 13.392 3.897 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.026 12.221 3.290 1.00 0.00 N ATOM 0 H HIS A 55 -3.557 11.238 7.558 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.318 13.447 6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.856 11.516 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.644 10.503 5.780 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.057 10.292 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.482 14.288 3.611 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.599 12.013 2.472 1.00 0.00 H new ATOM 805 N ILE A 56 -4.327 11.007 5.099 1.00 0.00 N ATOM 806 CA ILE A 56 -5.271 10.589 4.071 1.00 0.00 C ATOM 807 C ILE A 56 -6.564 11.395 4.153 1.00 0.00 C ATOM 808 O ILE A 56 -7.336 11.447 3.196 1.00 0.00 O ATOM 809 CB ILE A 56 -5.605 9.091 4.189 1.00 0.00 C ATOM 810 CG1 ILE A 56 -4.366 8.245 3.890 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.742 8.726 3.246 1.00 0.00 C ATOM 812 CD1 ILE A 56 -4.432 6.850 4.472 1.00 0.00 C ATOM 0 H ILE A 56 -4.322 10.418 5.932 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.792 10.771 3.109 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.925 8.885 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.237 8.174 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.486 8.753 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.967 7.664 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.627 9.308 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.448 8.944 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.521 6.307 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.530 6.912 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.293 6.324 4.059 1.00 0.00 H new ATOM 824 N SER A 57 -6.792 12.023 5.302 1.00 0.00 N ATOM 825 CA SER A 57 -7.992 12.825 5.509 1.00 0.00 C ATOM 826 C SER A 57 -9.245 11.958 5.428 1.00 0.00 C ATOM 827 O SER A 57 -9.246 10.877 4.840 1.00 0.00 O ATOM 828 CB SER A 57 -8.066 13.948 4.473 1.00 0.00 C ATOM 829 OG SER A 57 -6.822 14.120 3.818 1.00 0.00 O ATOM 0 H SER A 57 -6.162 11.992 6.103 1.00 0.00 H new ATOM 0 HA SER A 57 -7.939 13.264 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.839 13.719 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.355 14.879 4.961 1.00 0.00 H new ATOM 0 HG SER A 57 -6.896 14.842 3.160 1.00 0.00 H new ATOM 835 N PRO A 58 -10.340 12.444 6.033 1.00 0.00 N ATOM 836 CA PRO A 58 -11.620 11.731 6.043 1.00 0.00 C ATOM 837 C PRO A 58 -12.276 11.698 4.666 1.00 0.00 C ATOM 838 O PRO A 58 -13.070 12.573 4.326 1.00 0.00 O ATOM 839 CB PRO A 58 -12.471 12.545 7.021 1.00 0.00 C ATOM 840 CG PRO A 58 -11.885 13.913 6.986 1.00 0.00 C ATOM 841 CD PRO A 58 -10.411 13.726 6.753 1.00 0.00 C ATOM 0 HA PRO A 58 -11.502 10.685 6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.519 12.555 6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.432 12.123 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.333 14.509 6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.068 14.440 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.991 14.541 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.857 13.691 7.691 1.00 0.00 H new ATOM 849 N ASN A 59 -11.939 10.681 3.880 1.00 0.00 N ATOM 850 CA ASN A 59 -12.495 10.534 2.540 1.00 0.00 C ATOM 851 C ASN A 59 -12.303 9.111 2.024 1.00 0.00 C ATOM 852 O ASN A 59 -13.272 8.393 1.779 1.00 0.00 O ATOM 853 CB ASN A 59 -11.839 11.529 1.580 1.00 0.00 C ATOM 854 CG ASN A 59 -12.767 12.668 1.204 1.00 0.00 C ATOM 855 OD1 ASN A 59 -13.444 12.618 0.177 1.00 0.00 O ATOM 856 ND2 ASN A 59 -12.801 13.702 2.037 1.00 0.00 N ATOM 0 H ASN A 59 -11.284 9.947 4.148 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.564 10.741 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.939 11.935 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.526 11.006 0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.406 14.498 1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.222 13.700 2.877 1.00 0.00 H new ATOM 863 N ASN A 60 -11.047 8.710 1.863 1.00 0.00 N ATOM 864 CA ASN A 60 -10.727 7.373 1.377 1.00 0.00 C ATOM 865 C ASN A 60 -10.063 6.541 2.470 1.00 0.00 C ATOM 866 O ASN A 60 -9.366 5.567 2.185 1.00 0.00 O ATOM 867 CB ASN A 60 -9.809 7.457 0.156 1.00 0.00 C ATOM 868 CG ASN A 60 -10.531 7.968 -1.076 1.00 0.00 C ATOM 869 OD1 ASN A 60 -11.463 7.334 -1.571 1.00 0.00 O ATOM 870 ND2 ASN A 60 -10.102 9.120 -1.578 1.00 0.00 N ATOM 0 H ASN A 60 -10.233 9.292 2.062 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.659 6.886 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.969 8.115 0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.394 6.471 -0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.549 9.513 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.326 9.612 -1.135 1.00 0.00 H new ATOM 877 N ARG A 61 -10.286 6.931 3.720 1.00 0.00 N ATOM 878 CA ARG A 61 -9.709 6.222 4.856 1.00 0.00 C ATOM 879 C ARG A 61 -10.638 5.107 5.330 1.00 0.00 C ATOM 880 O ARG A 61 -10.303 4.353 6.242 1.00 0.00 O ATOM 881 CB ARG A 61 -9.434 7.194 6.005 1.00 0.00 C ATOM 882 CG ARG A 61 -10.686 7.855 6.556 1.00 0.00 C ATOM 883 CD ARG A 61 -10.676 7.886 8.077 1.00 0.00 C ATOM 884 NE ARG A 61 -11.560 8.919 8.609 1.00 0.00 N ATOM 885 CZ ARG A 61 -11.996 8.939 9.864 1.00 0.00 C ATOM 886 NH1 ARG A 61 -11.632 7.986 10.711 1.00 0.00 N ATOM 887 NH2 ARG A 61 -12.799 9.913 10.273 1.00 0.00 N ATOM 0 H ARG A 61 -10.862 7.734 3.972 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.768 5.776 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.932 6.658 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.747 7.967 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.762 8.872 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.567 7.316 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.983 6.913 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.660 8.062 8.429 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.859 9.666 7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.016 7.235 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.968 8.004 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.082 10.647 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.133 9.928 11.237 1.00 0.00 H new ATOM 901 N ASN A 62 -11.806 5.012 4.704 1.00 0.00 N ATOM 902 CA ASN A 62 -12.784 3.991 5.062 1.00 0.00 C ATOM 903 C ASN A 62 -12.580 2.727 4.232 1.00 0.00 C ATOM 904 O ASN A 62 -13.124 1.669 4.549 1.00 0.00 O ATOM 905 CB ASN A 62 -14.205 4.522 4.861 1.00 0.00 C ATOM 906 CG ASN A 62 -14.978 3.730 3.825 1.00 0.00 C ATOM 907 OD1 ASN A 62 -14.508 3.526 2.705 1.00 0.00 O ATOM 908 ND2 ASN A 62 -16.171 3.278 4.194 1.00 0.00 N ATOM 0 H ASN A 62 -12.099 5.629 3.947 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.642 3.741 6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.739 4.491 5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.159 5.567 4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.737 2.738 3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.521 3.471 5.132 1.00 0.00 H new ATOM 915 N ALA A 63 -11.793 2.845 3.168 1.00 0.00 N ATOM 916 CA ALA A 63 -11.515 1.713 2.293 1.00 0.00 C ATOM 917 C ALA A 63 -10.259 0.970 2.739 1.00 0.00 C ATOM 918 O ALA A 63 -10.157 -0.247 2.580 1.00 0.00 O ATOM 919 CB ALA A 63 -11.369 2.181 0.853 1.00 0.00 C ATOM 0 H ALA A 63 -11.336 3.714 2.891 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.356 1.023 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.162 1.325 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.293 2.660 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.547 2.894 0.784 1.00 0.00 H new ATOM 925 N ILE A 64 -9.307 1.710 3.297 1.00 0.00 N ATOM 926 CA ILE A 64 -8.059 1.121 3.766 1.00 0.00 C ATOM 927 C ILE A 64 -7.981 1.137 5.289 1.00 0.00 C ATOM 928 O ILE A 64 -8.765 1.815 5.954 1.00 0.00 O ATOM 929 CB ILE A 64 -6.836 1.861 3.192 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.633 0.919 3.113 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.507 3.078 4.043 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.553 1.397 2.168 1.00 0.00 C ATOM 0 H ILE A 64 -9.376 2.718 3.435 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.046 0.089 3.415 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.075 2.200 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.207 0.802 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.973 -0.066 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.641 3.591 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.360 3.756 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.284 2.760 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.731 0.681 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.963 1.487 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.185 2.369 2.498 1.00 0.00 H new ATOM 944 N HIS A 65 -7.029 0.388 5.836 1.00 0.00 N ATOM 945 CA HIS A 65 -6.846 0.319 7.281 1.00 0.00 C ATOM 946 C HIS A 65 -5.766 -0.695 7.644 1.00 0.00 C ATOM 947 O HIS A 65 -5.466 -1.618 6.886 1.00 0.00 O ATOM 948 CB HIS A 65 -8.162 -0.053 7.965 1.00 0.00 C ATOM 949 CG HIS A 65 -8.926 1.129 8.477 1.00 0.00 C ATOM 950 ND1 HIS A 65 -10.284 1.285 8.292 1.00 0.00 N ATOM 951 CD2 HIS A 65 -8.516 2.215 9.173 1.00 0.00 C ATOM 952 CE1 HIS A 65 -10.675 2.416 8.850 1.00 0.00 C ATOM 953 NE2 HIS A 65 -9.621 3.000 9.392 1.00 0.00 N ATOM 0 H HIS A 65 -6.372 -0.180 5.300 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.529 1.302 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.786 -0.601 7.259 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.952 -0.727 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.507 2.425 9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.685 2.799 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.627 3.889 9.892 1.00 0.00 H new ATOM 962 N PRO A 66 -5.165 -0.522 8.831 1.00 0.00 N ATOM 963 CA PRO A 66 -4.109 -1.412 9.321 1.00 0.00 C ATOM 964 C PRO A 66 -4.637 -2.796 9.681 1.00 0.00 C ATOM 965 O PRO A 66 -4.844 -3.107 10.853 1.00 0.00 O ATOM 966 CB PRO A 66 -3.593 -0.695 10.571 1.00 0.00 C ATOM 967 CG PRO A 66 -4.739 0.138 11.030 1.00 0.00 C ATOM 968 CD PRO A 66 -5.472 0.556 9.786 1.00 0.00 C ATOM 0 HA PRO A 66 -3.342 -1.588 8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.289 -1.407 11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.722 -0.080 10.344 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.391 -0.428 11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.391 1.007 11.588 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.544 0.644 9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.128 1.525 9.423 1.00 0.00 H new ATOM 976 N GLY A 67 -4.854 -3.625 8.663 1.00 0.00 N ATOM 977 CA GLY A 67 -5.357 -4.967 8.894 1.00 0.00 C ATOM 978 C GLY A 67 -5.939 -5.591 7.641 1.00 0.00 C ATOM 979 O GLY A 67 -6.968 -6.263 7.695 1.00 0.00 O ATOM 0 H GLY A 67 -4.690 -3.391 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.549 -5.596 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.122 -4.937 9.670 1.00 0.00 H new ATOM 983 N ASP A 68 -5.280 -5.367 6.509 1.00 0.00 N ATOM 984 CA ASP A 68 -5.739 -5.912 5.237 1.00 0.00 C ATOM 985 C ASP A 68 -4.558 -6.354 4.378 1.00 0.00 C ATOM 986 O ASP A 68 -3.402 -6.220 4.779 1.00 0.00 O ATOM 987 CB ASP A 68 -6.572 -4.873 4.484 1.00 0.00 C ATOM 988 CG ASP A 68 -5.718 -3.784 3.865 1.00 0.00 C ATOM 989 OD1 ASP A 68 -5.450 -2.777 4.553 1.00 0.00 O ATOM 990 OD2 ASP A 68 -5.318 -3.940 2.692 1.00 0.00 O ATOM 0 H ASP A 68 -4.427 -4.812 6.447 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.360 -6.783 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.146 -5.370 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.290 -4.422 5.169 1.00 0.00 H new ATOM 995 N ARG A 69 -4.858 -6.883 3.196 1.00 0.00 N ATOM 996 CA ARG A 69 -3.821 -7.347 2.282 1.00 0.00 C ATOM 997 C ARG A 69 -4.045 -6.792 0.879 1.00 0.00 C ATOM 998 O ARG A 69 -5.026 -7.131 0.216 1.00 0.00 O ATOM 999 CB ARG A 69 -3.797 -8.876 2.239 1.00 0.00 C ATOM 1000 CG ARG A 69 -5.172 -9.511 2.366 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.369 -10.624 1.349 1.00 0.00 C ATOM 1002 NE ARG A 69 -6.429 -11.546 1.745 1.00 0.00 N ATOM 1003 CZ ARG A 69 -6.304 -12.433 2.726 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -5.170 -12.516 3.408 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -7.315 -13.238 3.027 1.00 0.00 N ATOM 0 H ARG A 69 -5.810 -7.001 2.849 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.860 -6.985 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.343 -9.197 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.161 -9.244 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.298 -9.910 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.940 -8.750 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.610 -10.190 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.436 -11.175 1.229 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.315 -11.507 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.391 -11.898 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.076 -13.198 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.189 -13.176 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.218 -13.919 3.780 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.131 -5.937 0.434 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.229 -5.335 -0.890 1.00 0.00 C ATOM 1021 C ILE A 70 -3.069 -6.385 -1.985 1.00 0.00 C ATOM 1022 O ILE A 70 -2.297 -7.334 -1.841 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.168 -4.236 -1.089 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.510 -3.008 -0.244 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.064 -3.861 -2.560 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.294 -2.286 0.292 1.00 0.00 C ATOM 0 H ILE A 70 -2.314 -5.645 0.971 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.221 -4.888 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.202 -4.621 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.098 -2.315 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.138 -3.316 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.310 -3.083 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.779 -4.739 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.028 -3.492 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.612 -1.426 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.716 -2.964 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.676 -1.947 -0.540 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.801 -6.208 -3.079 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.739 -7.139 -4.200 1.00 0.00 C ATOM 1040 C LEU A 71 -2.954 -6.540 -5.363 1.00 0.00 C ATOM 1041 O LEU A 71 -2.255 -7.252 -6.083 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.150 -7.509 -4.660 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.191 -7.685 -3.554 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.577 -7.875 -4.151 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.828 -8.862 -2.661 1.00 0.00 C ATOM 0 H LEU A 71 -4.445 -5.428 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.225 -8.039 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.502 -6.736 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.094 -8.437 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.200 -6.782 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.305 -7.999 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.839 -7.001 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.582 -8.762 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.580 -8.972 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.789 -9.773 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.854 -8.686 -2.205 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.073 -5.228 -5.537 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.373 -4.534 -6.612 1.00 0.00 C ATOM 1059 C GLU A 72 -2.016 -3.109 -6.197 1.00 0.00 C ATOM 1060 O GLU A 72 -2.519 -2.598 -5.196 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.233 -4.508 -7.877 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.879 -5.844 -8.201 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.826 -5.763 -9.384 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.723 -4.895 -9.368 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.668 -6.568 -10.325 1.00 0.00 O ATOM 0 H GLU A 72 -3.647 -4.624 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.450 -5.076 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.013 -3.756 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.615 -4.199 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.101 -6.578 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.425 -6.201 -7.327 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.144 -2.475 -6.974 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.720 -1.110 -6.688 1.00 0.00 C ATOM 1074 C ILE A 73 -0.513 -0.318 -7.974 1.00 0.00 C ATOM 1075 O ILE A 73 0.241 -0.730 -8.854 1.00 0.00 O ATOM 1076 CB ILE A 73 0.584 -1.086 -5.868 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.335 -1.619 -4.456 1.00 0.00 C ATOM 1078 CG2 ILE A 73 1.150 0.326 -5.815 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.601 -1.823 -3.655 1.00 0.00 C ATOM 0 H ILE A 73 -0.718 -2.884 -7.805 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.516 -0.648 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 73 1.314 -1.732 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.314 -0.924 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.199 -2.567 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.071 0.327 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.360 0.672 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.424 0.992 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.348 -2.202 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.243 -2.541 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.126 -0.873 -3.556 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.188 0.823 -8.075 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.077 1.675 -9.254 1.00 0.00 C ATOM 1093 C ASN A 74 -1.633 0.970 -10.488 1.00 0.00 C ATOM 1094 O ASN A 74 -1.520 1.472 -11.606 1.00 0.00 O ATOM 1095 CB ASN A 74 0.383 2.066 -9.491 1.00 0.00 C ATOM 1096 CG ASN A 74 0.692 3.469 -9.004 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.087 4.398 -9.219 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.833 3.628 -8.344 1.00 0.00 N ATOM 0 H ASN A 74 -1.817 1.179 -7.355 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.663 2.577 -9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.034 1.356 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.607 1.996 -10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.094 4.549 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.448 2.829 -8.189 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.236 -0.196 -10.276 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.802 -0.950 -11.380 1.00 0.00 C ATOM 1107 C GLY A 75 -1.889 -2.066 -11.847 1.00 0.00 C ATOM 1108 O GLY A 75 -1.862 -2.402 -13.031 1.00 0.00 O ATOM 0 H GLY A 75 -2.343 -0.632 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.760 -1.372 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.001 -0.275 -12.213 1.00 0.00 H new ATOM 1112 N THR A 76 -1.137 -2.643 -10.915 1.00 0.00 N ATOM 1113 CA THR A 76 -0.216 -3.725 -11.238 1.00 0.00 C ATOM 1114 C THR A 76 -0.239 -4.806 -10.163 1.00 0.00 C ATOM 1115 O THR A 76 -0.411 -4.530 -8.975 1.00 0.00 O ATOM 1116 CB THR A 76 1.226 -3.208 -11.398 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.263 -1.791 -11.193 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.769 -3.540 -12.780 1.00 0.00 C ATOM 0 H THR A 76 -1.148 -2.379 -9.930 1.00 0.00 H new ATOM 0 HA THR A 76 -0.549 -4.150 -12.185 1.00 0.00 H new ATOM 0 HB THR A 76 1.851 -3.699 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.968 -1.585 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.789 -3.165 -12.870 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.766 -4.621 -12.922 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.142 -3.072 -13.539 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.062 -6.066 -10.585 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.057 -7.214 -9.673 1.00 0.00 C ATOM 1128 C PRO A 77 1.176 -7.237 -8.777 1.00 0.00 C ATOM 1129 O PRO A 77 2.300 -7.050 -9.245 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.054 -8.418 -10.618 1.00 0.00 C ATOM 1131 CG PRO A 77 0.561 -7.910 -11.877 1.00 0.00 C ATOM 1132 CD PRO A 77 0.149 -6.468 -11.986 1.00 0.00 C ATOM 0 HA PRO A 77 -0.905 -7.194 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.521 -9.246 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.065 -8.787 -10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.646 -8.005 -11.847 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.215 -8.481 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.920 -5.865 -12.465 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.759 -6.353 -12.578 1.00 0.00 H new ATOM 1140 N VAL A 78 0.960 -7.467 -7.486 1.00 0.00 N ATOM 1141 CA VAL A 78 2.054 -7.516 -6.524 1.00 0.00 C ATOM 1142 C VAL A 78 2.648 -8.918 -6.437 1.00 0.00 C ATOM 1143 O VAL A 78 3.717 -9.116 -5.860 1.00 0.00 O ATOM 1144 CB VAL A 78 1.589 -7.080 -5.122 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.778 -5.796 -5.203 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.784 -8.188 -4.460 1.00 0.00 C ATOM 0 H VAL A 78 0.036 -7.622 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 78 2.817 -6.823 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 78 2.470 -6.886 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.458 -5.504 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.392 -5.005 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.098 -5.958 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.463 -7.863 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.091 -8.415 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.402 -9.081 -4.366 1.00 0.00 H new ATOM 1156 N ARG A 79 1.947 -9.888 -7.016 1.00 0.00 N ATOM 1157 CA ARG A 79 2.404 -11.272 -7.004 1.00 0.00 C ATOM 1158 C ARG A 79 3.433 -11.515 -8.105 1.00 0.00 C ATOM 1159 O ARG A 79 4.054 -12.576 -8.167 1.00 0.00 O ATOM 1160 CB ARG A 79 1.220 -12.224 -7.179 1.00 0.00 C ATOM 1161 CG ARG A 79 0.457 -12.014 -8.477 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.938 -12.616 -8.406 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.105 -13.723 -9.344 1.00 0.00 N ATOM 1164 CZ ARG A 79 -2.174 -14.511 -9.369 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.167 -14.313 -8.513 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -2.253 -15.498 -10.252 1.00 0.00 N ATOM 0 H ARG A 79 1.061 -9.740 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 79 2.876 -11.464 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.582 -13.251 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.535 -12.097 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.384 -10.947 -8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.008 -12.466 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.130 -12.968 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.677 -11.844 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.360 -13.901 -10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.111 -13.554 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.987 -14.919 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.492 -15.653 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.075 -16.102 -10.270 1.00 0.00 H new ATOM 1180 N THR A 80 3.608 -10.523 -8.973 1.00 0.00 N ATOM 1181 CA THR A 80 4.559 -10.629 -10.072 1.00 0.00 C ATOM 1182 C THR A 80 5.581 -9.499 -10.025 1.00 0.00 C ATOM 1183 O THR A 80 6.736 -9.675 -10.417 1.00 0.00 O ATOM 1184 CB THR A 80 3.846 -10.604 -11.437 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.527 -9.256 -11.798 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.574 -11.438 -11.398 1.00 0.00 C ATOM 0 H THR A 80 3.103 -9.637 -8.936 1.00 0.00 H new ATOM 0 HA THR A 80 5.071 -11.584 -9.956 1.00 0.00 H new ATOM 0 HB THR A 80 4.519 -11.030 -12.182 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.148 -9.240 -12.702 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.088 -11.405 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.823 -12.470 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.899 -11.037 -10.642 1.00 0.00 H new ATOM 1194 N LEU A 81 5.151 -8.338 -9.543 1.00 0.00 N ATOM 1195 CA LEU A 81 6.030 -7.178 -9.444 1.00 0.00 C ATOM 1196 C LEU A 81 7.214 -7.468 -8.527 1.00 0.00 C ATOM 1197 O LEU A 81 7.195 -8.429 -7.758 1.00 0.00 O ATOM 1198 CB LEU A 81 5.253 -5.967 -8.925 1.00 0.00 C ATOM 1199 CG LEU A 81 4.762 -4.980 -9.984 1.00 0.00 C ATOM 1200 CD1 LEU A 81 4.082 -3.788 -9.329 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.918 -4.521 -10.862 1.00 0.00 C ATOM 0 H LEU A 81 4.199 -8.175 -9.215 1.00 0.00 H new ATOM 0 HA LEU A 81 6.412 -6.957 -10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.390 -6.327 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.887 -5.428 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 81 4.032 -5.487 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.739 -3.096 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.229 -4.132 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.790 -3.280 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.550 -3.819 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.672 -4.032 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.361 -5.383 -11.360 1.00 0.00 H new ATOM 1213 N ARG A 82 8.241 -6.629 -8.612 1.00 0.00 N ATOM 1214 CA ARG A 82 9.433 -6.795 -7.789 1.00 0.00 C ATOM 1215 C ARG A 82 9.283 -6.059 -6.460 1.00 0.00 C ATOM 1216 O ARG A 82 8.657 -5.002 -6.392 1.00 0.00 O ATOM 1217 CB ARG A 82 10.668 -6.282 -8.532 1.00 0.00 C ATOM 1218 CG ARG A 82 10.905 -6.970 -9.866 1.00 0.00 C ATOM 1219 CD ARG A 82 12.241 -7.696 -9.889 1.00 0.00 C ATOM 1220 NE ARG A 82 12.864 -7.655 -11.209 1.00 0.00 N ATOM 1221 CZ ARG A 82 13.891 -8.420 -11.561 1.00 0.00 C ATOM 1222 NH1 ARG A 82 14.407 -9.283 -10.696 1.00 0.00 N ATOM 1223 NH2 ARG A 82 14.404 -8.325 -12.781 1.00 0.00 N ATOM 0 H ARG A 82 8.272 -5.828 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 82 9.557 -7.858 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.562 -5.210 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.545 -6.421 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.101 -7.680 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.877 -6.232 -10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.911 -7.245 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.095 -8.734 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 82 12.490 -7.003 -11.899 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.015 -9.361 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.196 -9.869 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.010 -7.664 -13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.193 -8.913 -13.050 1.00 0.00 H new ATOM 1237 N VAL A 83 9.862 -6.627 -5.407 1.00 0.00 N ATOM 1238 CA VAL A 83 9.793 -6.025 -4.080 1.00 0.00 C ATOM 1239 C VAL A 83 10.079 -4.529 -4.141 1.00 0.00 C ATOM 1240 O VAL A 83 9.292 -3.717 -3.653 1.00 0.00 O ATOM 1241 CB VAL A 83 10.790 -6.688 -3.111 1.00 0.00 C ATOM 1242 CG1 VAL A 83 10.706 -6.044 -1.736 1.00 0.00 C ATOM 1243 CG2 VAL A 83 10.533 -8.185 -3.024 1.00 0.00 C ATOM 0 H VAL A 83 10.384 -7.503 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 83 8.779 -6.184 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 83 11.799 -6.537 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.417 -6.525 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.943 -4.983 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.697 -6.161 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.246 -8.637 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.519 -8.360 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.649 -8.632 -4.011 1.00 0.00 H new ATOM 1253 N GLU A 84 11.209 -4.171 -4.743 1.00 0.00 N ATOM 1254 CA GLU A 84 11.597 -2.771 -4.866 1.00 0.00 C ATOM 1255 C GLU A 84 10.476 -1.948 -5.494 1.00 0.00 C ATOM 1256 O GLU A 84 10.278 -0.785 -5.147 1.00 0.00 O ATOM 1257 CB GLU A 84 12.870 -2.644 -5.707 1.00 0.00 C ATOM 1258 CG GLU A 84 12.767 -3.306 -7.070 1.00 0.00 C ATOM 1259 CD GLU A 84 14.094 -3.861 -7.551 1.00 0.00 C ATOM 1260 OE1 GLU A 84 14.516 -4.917 -7.036 1.00 0.00 O ATOM 1261 OE2 GLU A 84 14.709 -3.239 -8.442 1.00 0.00 O ATOM 0 H GLU A 84 11.871 -4.830 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 84 11.790 -2.385 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.102 -1.588 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.703 -3.086 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.035 -4.113 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.396 -2.581 -7.795 1.00 0.00 H new ATOM 1268 N GLU A 85 9.747 -2.562 -6.421 1.00 0.00 N ATOM 1269 CA GLU A 85 8.647 -1.886 -7.098 1.00 0.00 C ATOM 1270 C GLU A 85 7.451 -1.722 -6.164 1.00 0.00 C ATOM 1271 O GLU A 85 6.691 -0.760 -6.274 1.00 0.00 O ATOM 1272 CB GLU A 85 8.230 -2.667 -8.346 1.00 0.00 C ATOM 1273 CG GLU A 85 8.935 -2.212 -9.613 1.00 0.00 C ATOM 1274 CD GLU A 85 8.161 -1.143 -10.360 1.00 0.00 C ATOM 1275 OE1 GLU A 85 6.974 -0.934 -10.033 1.00 0.00 O ATOM 1276 OE2 GLU A 85 8.741 -0.517 -11.270 1.00 0.00 O ATOM 0 H GLU A 85 9.898 -3.525 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 85 8.992 -0.896 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.434 -3.726 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.153 -2.567 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.922 -1.828 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.087 -3.070 -10.268 1.00 0.00 H new ATOM 1283 N VAL A 86 7.292 -2.669 -5.245 1.00 0.00 N ATOM 1284 CA VAL A 86 6.190 -2.630 -4.290 1.00 0.00 C ATOM 1285 C VAL A 86 6.429 -1.574 -3.218 1.00 0.00 C ATOM 1286 O VAL A 86 5.487 -0.965 -2.711 1.00 0.00 O ATOM 1287 CB VAL A 86 5.987 -3.998 -3.612 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.658 -4.035 -2.872 1.00 0.00 C ATOM 1289 CG2 VAL A 86 6.067 -5.118 -4.638 1.00 0.00 C ATOM 0 H VAL A 86 7.912 -3.472 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 86 5.292 -2.375 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 86 6.785 -4.146 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.532 -5.009 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.645 -3.257 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.844 -3.866 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.921 -6.077 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.291 -4.978 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.046 -5.103 -5.118 1.00 0.00 H new ATOM 1299 N GLU A 87 7.696 -1.361 -2.876 1.00 0.00 N ATOM 1300 CA GLU A 87 8.059 -0.377 -1.862 1.00 0.00 C ATOM 1301 C GLU A 87 8.125 1.024 -2.463 1.00 0.00 C ATOM 1302 O GLU A 87 7.700 1.998 -1.842 1.00 0.00 O ATOM 1303 CB GLU A 87 9.404 -0.737 -1.229 1.00 0.00 C ATOM 1304 CG GLU A 87 9.282 -1.626 -0.003 1.00 0.00 C ATOM 1305 CD GLU A 87 9.470 -0.863 1.293 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.619 -0.476 1.593 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.468 -0.652 2.008 1.00 0.00 O ATOM 0 H GLU A 87 8.488 -1.856 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 87 7.289 -0.386 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.022 -1.240 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.923 0.181 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.302 -2.102 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.023 -2.423 -0.062 1.00 0.00 H new ATOM 1314 N ASP A 88 8.662 1.117 -3.675 1.00 0.00 N ATOM 1315 CA ASP A 88 8.784 2.398 -4.361 1.00 0.00 C ATOM 1316 C ASP A 88 7.411 3.007 -4.624 1.00 0.00 C ATOM 1317 O ASP A 88 7.250 4.227 -4.619 1.00 0.00 O ATOM 1318 CB ASP A 88 9.540 2.225 -5.679 1.00 0.00 C ATOM 1319 CG ASP A 88 11.037 2.408 -5.516 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.447 3.384 -4.853 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.797 1.575 -6.052 1.00 0.00 O ATOM 0 H ASP A 88 9.020 0.321 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 88 9.344 3.075 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.340 1.232 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.166 2.945 -6.406 1.00 0.00 H new ATOM 1326 N ALA A 89 6.423 2.148 -4.855 1.00 0.00 N ATOM 1327 CA ALA A 89 5.063 2.601 -5.119 1.00 0.00 C ATOM 1328 C ALA A 89 4.488 3.343 -3.918 1.00 0.00 C ATOM 1329 O ALA A 89 3.719 4.293 -4.072 1.00 0.00 O ATOM 1330 CB ALA A 89 4.176 1.421 -5.487 1.00 0.00 C ATOM 0 H ALA A 89 6.539 1.135 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 89 5.094 3.294 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.163 1.774 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.569 0.935 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.160 0.707 -4.663 1.00 0.00 H new ATOM 1336 N ILE A 90 4.864 2.904 -2.721 1.00 0.00 N ATOM 1337 CA ILE A 90 4.386 3.528 -1.494 1.00 0.00 C ATOM 1338 C ILE A 90 5.076 4.866 -1.252 1.00 0.00 C ATOM 1339 O ILE A 90 4.421 5.882 -1.022 1.00 0.00 O ATOM 1340 CB ILE A 90 4.615 2.616 -0.273 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.401 1.151 -0.657 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.686 3.013 0.865 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.093 0.897 -1.372 1.00 0.00 C ATOM 0 H ILE A 90 5.498 2.119 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 90 3.316 3.692 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 90 5.644 2.736 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.223 0.828 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.438 0.539 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.859 2.360 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.882 4.046 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.650 2.917 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.010 -0.163 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.264 1.189 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.061 1.482 -2.291 1.00 0.00 H new ATOM 1355 N LYS A 91 6.404 4.859 -1.306 1.00 0.00 N ATOM 1356 CA LYS A 91 7.185 6.072 -1.096 1.00 0.00 C ATOM 1357 C LYS A 91 6.984 7.054 -2.245 1.00 0.00 C ATOM 1358 O LYS A 91 7.371 8.219 -2.152 1.00 0.00 O ATOM 1359 CB LYS A 91 8.670 5.729 -0.958 1.00 0.00 C ATOM 1360 CG LYS A 91 9.205 4.874 -2.094 1.00 0.00 C ATOM 1361 CD LYS A 91 10.717 4.980 -2.207 1.00 0.00 C ATOM 1362 CE LYS A 91 11.406 3.754 -1.627 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.874 3.772 -1.879 1.00 0.00 N ATOM 0 H LYS A 91 6.962 4.026 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 91 6.840 6.542 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.245 6.654 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.827 5.205 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.923 3.834 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.746 5.186 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.998 5.095 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.060 5.873 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.222 3.708 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.974 2.854 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.307 2.920 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.050 3.790 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.291 4.618 -1.441 1.00 0.00 H new ATOM 1377 N GLN A 92 6.376 6.577 -3.327 1.00 0.00 N ATOM 1378 CA GLN A 92 6.123 7.415 -4.493 1.00 0.00 C ATOM 1379 C GLN A 92 5.157 8.544 -4.153 1.00 0.00 C ATOM 1380 O GLN A 92 3.982 8.503 -4.521 1.00 0.00 O ATOM 1381 CB GLN A 92 5.560 6.573 -5.639 1.00 0.00 C ATOM 1382 CG GLN A 92 6.601 6.179 -6.674 1.00 0.00 C ATOM 1383 CD GLN A 92 6.211 6.588 -8.080 1.00 0.00 C ATOM 1384 OE1 GLN A 92 6.796 7.505 -8.658 1.00 0.00 O ATOM 1385 NE2 GLN A 92 5.218 5.907 -8.641 1.00 0.00 N ATOM 0 H GLN A 92 6.050 5.615 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 92 7.070 7.855 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.109 5.670 -5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.764 7.131 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.555 6.640 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.749 5.100 -6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.761 5.154 -8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.913 6.137 -9.587 1.00 0.00 H new ATOM 1394 N THR A 93 5.658 9.553 -3.447 1.00 0.00 N ATOM 1395 CA THR A 93 4.839 10.693 -3.056 1.00 0.00 C ATOM 1396 C THR A 93 4.960 11.830 -4.064 1.00 0.00 C ATOM 1397 O THR A 93 5.020 13.001 -3.690 1.00 0.00 O ATOM 1398 CB THR A 93 5.232 11.215 -1.661 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.622 11.560 -1.641 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.949 10.171 -0.592 1.00 0.00 C ATOM 0 H THR A 93 6.628 9.603 -3.134 1.00 0.00 H new ATOM 0 HA THR A 93 3.807 10.345 -3.028 1.00 0.00 H new ATOM 0 HB THR A 93 4.634 12.101 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.864 11.893 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.235 10.563 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.886 9.932 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.523 9.269 -0.803 1.00 0.00 H new ATOM 1408 N SER A 94 4.995 11.477 -5.345 1.00 0.00 N ATOM 1409 CA SER A 94 5.113 12.468 -6.408 1.00 0.00 C ATOM 1410 C SER A 94 3.928 12.381 -7.366 1.00 0.00 C ATOM 1411 O SER A 94 3.433 13.398 -7.851 1.00 0.00 O ATOM 1412 CB SER A 94 6.421 12.270 -7.177 1.00 0.00 C ATOM 1413 OG SER A 94 6.182 12.166 -8.570 1.00 0.00 O ATOM 0 H SER A 94 4.943 10.512 -5.672 1.00 0.00 H new ATOM 0 HA SER A 94 5.116 13.457 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.092 13.106 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.922 11.369 -6.822 1.00 0.00 H new ATOM 0 HG SER A 94 7.033 12.042 -9.040 1.00 0.00 H new ATOM 1419 N GLN A 95 3.480 11.158 -7.633 1.00 0.00 N ATOM 1420 CA GLN A 95 2.354 10.938 -8.533 1.00 0.00 C ATOM 1421 C GLN A 95 1.193 10.274 -7.800 1.00 0.00 C ATOM 1422 O GLN A 95 1.282 9.986 -6.605 1.00 0.00 O ATOM 1423 CB GLN A 95 2.785 10.073 -9.719 1.00 0.00 C ATOM 1424 CG GLN A 95 2.910 8.596 -9.382 1.00 0.00 C ATOM 1425 CD GLN A 95 1.905 7.740 -10.128 1.00 0.00 C ATOM 1426 OE1 GLN A 95 1.255 8.202 -11.066 1.00 0.00 O ATOM 1427 NE2 GLN A 95 1.773 6.486 -9.714 1.00 0.00 N ATOM 0 H GLN A 95 3.879 10.306 -7.239 1.00 0.00 H new ATOM 0 HA GLN A 95 2.020 11.908 -8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.063 10.193 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.743 10.434 -10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.918 8.257 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.773 8.459 -8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.333 6.145 -8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.112 5.863 -10.178 1.00 0.00 H new ATOM 1436 N THR A 96 0.104 10.032 -8.522 1.00 0.00 N ATOM 1437 CA THR A 96 -1.075 9.404 -7.941 1.00 0.00 C ATOM 1438 C THR A 96 -0.783 7.967 -7.523 1.00 0.00 C ATOM 1439 O THR A 96 -0.074 7.239 -8.219 1.00 0.00 O ATOM 1440 CB THR A 96 -2.259 9.409 -8.926 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.423 10.717 -9.487 1.00 0.00 O ATOM 1442 CG2 THR A 96 -3.544 8.985 -8.232 1.00 0.00 C ATOM 0 H THR A 96 0.014 10.262 -9.512 1.00 0.00 H new ATOM 0 HA THR A 96 -1.342 9.989 -7.061 1.00 0.00 H new ATOM 0 HB THR A 96 -2.044 8.696 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.177 10.712 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.365 8.997 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.426 7.978 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.763 9.676 -7.418 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.335 7.563 -6.384 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.134 6.212 -5.873 1.00 0.00 C ATOM 1452 C LEU A 97 -2.469 5.506 -5.659 1.00 0.00 C ATOM 1453 O LEU A 97 -3.311 5.971 -4.891 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.350 6.252 -4.561 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.650 5.132 -3.564 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.409 3.772 -4.201 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.196 5.293 -2.310 1.00 0.00 C ATOM 0 H LEU A 97 -1.925 8.152 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.562 5.652 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.714 6.226 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.546 7.207 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.700 5.196 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.628 2.987 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.059 3.656 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.632 3.697 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.031 4.487 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.252 5.256 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.026 6.252 -1.842 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.654 4.381 -6.342 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.887 3.611 -6.225 1.00 0.00 C ATOM 1471 C GLN A 98 -3.652 2.323 -5.442 1.00 0.00 C ATOM 1472 O GLN A 98 -2.705 1.584 -5.713 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.443 3.284 -7.612 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.832 3.851 -7.860 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.569 3.125 -8.967 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.257 1.978 -9.289 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.556 3.790 -9.558 1.00 0.00 N ATOM 0 H GLN A 98 -1.967 3.983 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.614 4.217 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.761 3.672 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.474 2.202 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.414 3.791 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.749 4.907 -8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.782 4.739 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.088 3.351 -10.310 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.519 2.061 -4.470 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.406 0.862 -3.647 1.00 0.00 C ATOM 1488 C LEU A 99 -5.665 0.008 -3.755 1.00 0.00 C ATOM 1489 O LEU A 99 -6.774 0.529 -3.879 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.158 1.244 -2.187 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.884 2.042 -1.909 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -2.943 2.679 -0.529 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.658 1.149 -2.034 1.00 0.00 C ATOM 0 H LEU A 99 -5.308 2.663 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.561 0.278 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.011 1.825 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.127 0.330 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.807 2.837 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.028 3.243 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.800 3.351 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.044 1.900 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.760 1.733 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.728 0.332 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.607 0.741 -3.043 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.487 -1.308 -3.703 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.609 -2.236 -3.792 1.00 0.00 C ATOM 1507 C LEU A 100 -6.714 -3.086 -2.530 1.00 0.00 C ATOM 1508 O LEU A 100 -5.838 -3.904 -2.246 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.453 -3.139 -5.017 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.752 -3.635 -5.654 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.419 -2.521 -6.445 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.482 -4.838 -6.547 1.00 0.00 C ATOM 0 H LEU A 100 -4.577 -1.756 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.524 -1.653 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.885 -2.597 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.858 -4.006 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.430 -3.943 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.341 -2.893 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.648 -1.689 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.747 -2.181 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.417 -5.178 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.786 -4.556 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.050 -5.643 -5.952 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.791 -2.888 -1.778 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.012 -3.639 -0.548 1.00 0.00 C ATOM 1526 C ILE A 101 -8.977 -4.796 -0.776 1.00 0.00 C ATOM 1527 O ILE A 101 -9.779 -4.773 -1.709 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.565 -2.736 0.571 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.996 -1.322 0.443 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.237 -3.324 1.935 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.484 -1.275 0.454 1.00 0.00 C ATOM 0 H ILE A 101 -8.524 -2.214 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.043 -4.033 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.649 -2.681 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.358 -0.876 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.376 -0.711 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.634 -2.675 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.686 -4.313 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.156 -3.405 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.151 -0.241 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.114 -1.691 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.096 -1.859 -0.381 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.895 -5.807 0.083 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.763 -6.974 -0.025 1.00 0.00 C ATOM 1545 C GLU A 102 -10.395 -7.309 1.323 1.00 0.00 C ATOM 1546 O GLU A 102 -9.717 -7.330 2.351 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.975 -8.178 -0.544 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.759 -9.047 -1.513 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.993 -10.285 -1.937 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -8.290 -10.869 -1.086 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -9.097 -10.669 -3.121 1.00 0.00 O ATOM 0 H GLU A 102 -8.237 -5.842 0.861 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.559 -6.738 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.070 -7.824 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.659 -8.787 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.698 -9.347 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.013 -8.461 -2.396 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.699 -7.569 1.311 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.423 -7.903 2.532 1.00 0.00 C ATOM 1560 C HIS A 103 -12.397 -9.407 2.785 1.00 0.00 C ATOM 1561 O HIS A 103 -12.428 -10.204 1.847 1.00 0.00 O ATOM 1562 CB HIS A 103 -13.868 -7.413 2.443 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.531 -7.258 3.777 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -15.806 -7.714 4.042 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.089 -6.694 4.925 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -16.119 -7.435 5.295 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -15.094 -6.817 5.853 1.00 0.00 N ATOM 0 H HIS A 103 -12.275 -7.555 0.469 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.929 -7.404 3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.887 -6.455 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.444 -8.114 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.125 -6.233 5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -17.054 -7.672 5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -15.055 -6.485 6.817 1.00 0.00 H new