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 57 SER OG : rot 150:sc= -1.27! USER MOD Set 1.2: A 60 ASN : amide:sc= -1.5! K(o=-2.8!,f=1.1) USER MOD Single : A 15 SER OG : rot -6:sc= 0.832 USER MOD Single : A 17 THR OG1 : rot 14:sc= 0.182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -168:sc= -1.5 (180deg=-2.25!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.156 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= -0.0669 USER MOD Single : A 47 GLN : amide:sc= -0.562 K(o=-0.56,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.035) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 62 ASN : amide:sc= -0.115 K(o=-0.12,f=-0.69) USER MOD Single : A 65 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-3.7!) USER MOD Single : A 74 ASN : amide:sc=-0.00742 X(o=-0.0074,f=-0.16) USER MOD Single : A 76 THR OG1 : rot 55:sc= 1.17 USER MOD Single : A 80 THR OG1 : rot -34:sc= -0.0928 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.3 K(o=-0.3,f=-3!) USER MOD Single : A 93 THR OG1 : rot 63:sc= 1.18 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 95 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 98 GLN : amide:sc= -5.04! C(o=-5!,f=-5.2!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.066 -9.404 -1.515 1.00 0.00 N ATOM 183 CA SER A 15 -16.272 -7.960 -1.538 1.00 0.00 C ATOM 184 C SER A 15 -14.941 -7.223 -1.654 1.00 0.00 C ATOM 185 O SER A 15 -14.157 -7.181 -0.707 1.00 0.00 O ATOM 186 CB SER A 15 -17.009 -7.509 -0.275 1.00 0.00 C ATOM 187 OG SER A 15 -17.227 -8.599 0.605 1.00 0.00 O ATOM 0 HA SER A 15 -16.879 -7.718 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.429 -6.738 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.965 -7.061 -0.548 1.00 0.00 H new ATOM 0 HG SER A 15 -16.940 -9.431 0.173 1.00 0.00 H new ATOM 193 N VAL A 16 -14.694 -6.644 -2.825 1.00 0.00 N ATOM 194 CA VAL A 16 -13.459 -5.907 -3.067 1.00 0.00 C ATOM 195 C VAL A 16 -13.621 -4.432 -2.716 1.00 0.00 C ATOM 196 O VAL A 16 -14.737 -3.945 -2.532 1.00 0.00 O ATOM 197 CB VAL A 16 -13.013 -6.027 -4.536 1.00 0.00 C ATOM 198 CG1 VAL A 16 -12.371 -7.383 -4.790 1.00 0.00 C ATOM 199 CG2 VAL A 16 -14.192 -5.803 -5.471 1.00 0.00 C ATOM 0 H VAL A 16 -15.332 -6.671 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.696 -6.349 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.269 -5.256 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.062 -7.450 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.500 -7.500 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.091 -8.173 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.858 -5.891 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.961 -6.550 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.603 -4.807 -5.306 1.00 0.00 H new ATOM 209 N THR A 17 -12.499 -3.725 -2.624 1.00 0.00 N ATOM 210 CA THR A 17 -12.516 -2.305 -2.294 1.00 0.00 C ATOM 211 C THR A 17 -11.373 -1.568 -2.982 1.00 0.00 C ATOM 212 O THR A 17 -10.251 -2.069 -3.054 1.00 0.00 O ATOM 213 CB THR A 17 -12.415 -2.081 -0.773 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.686 -2.316 -0.158 1.00 0.00 O ATOM 215 CG2 THR A 17 -11.952 -0.665 -0.465 1.00 0.00 C ATOM 0 H THR A 17 -11.567 -4.112 -2.773 1.00 0.00 H new ATOM 0 HA THR A 17 -13.467 -1.908 -2.650 1.00 0.00 H new ATOM 0 HB THR A 17 -11.683 -2.782 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.274 -2.782 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.888 -0.530 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.971 -0.498 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.665 0.049 -0.878 1.00 0.00 H new ATOM 223 N LEU A 18 -11.665 -0.374 -3.486 1.00 0.00 N ATOM 224 CA LEU A 18 -10.660 0.435 -4.169 1.00 0.00 C ATOM 225 C LEU A 18 -10.505 1.794 -3.495 1.00 0.00 C ATOM 226 O LEU A 18 -11.475 2.362 -2.990 1.00 0.00 O ATOM 227 CB LEU A 18 -11.040 0.622 -5.639 1.00 0.00 C ATOM 228 CG LEU A 18 -9.940 1.162 -6.553 1.00 0.00 C ATOM 229 CD1 LEU A 18 -9.686 2.635 -6.270 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.661 0.356 -6.382 1.00 0.00 C ATOM 0 H LEU A 18 -12.589 0.056 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.706 -0.089 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.373 -0.339 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.892 1.300 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.272 1.064 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.900 3.002 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.600 3.202 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.375 2.758 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.889 0.755 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.325 0.422 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.851 -0.687 -6.636 1.00 0.00 H new ATOM 242 N ILE A 19 -9.281 2.311 -3.492 1.00 0.00 N ATOM 243 CA ILE A 19 -9.001 3.606 -2.883 1.00 0.00 C ATOM 244 C ILE A 19 -8.158 4.477 -3.808 1.00 0.00 C ATOM 245 O ILE A 19 -7.287 3.980 -4.523 1.00 0.00 O ATOM 246 CB ILE A 19 -8.270 3.448 -1.537 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.906 1.981 -1.298 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.132 3.978 -0.401 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.430 1.698 0.109 1.00 0.00 C ATOM 0 H ILE A 19 -8.468 1.854 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.963 4.089 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.349 4.030 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.776 1.360 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.127 1.689 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.602 3.859 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.345 5.034 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.068 3.421 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.190 0.639 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.541 2.292 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.216 1.958 0.818 1.00 0.00 H new ATOM 261 N SER A 20 -8.421 5.780 -3.788 1.00 0.00 N ATOM 262 CA SER A 20 -7.688 6.721 -4.626 1.00 0.00 C ATOM 263 C SER A 20 -7.425 8.025 -3.877 1.00 0.00 C ATOM 264 O SER A 20 -8.296 8.889 -3.791 1.00 0.00 O ATOM 265 CB SER A 20 -8.467 7.006 -5.911 1.00 0.00 C ATOM 266 OG SER A 20 -9.810 6.568 -5.801 1.00 0.00 O ATOM 0 H SER A 20 -9.137 6.208 -3.200 1.00 0.00 H new ATOM 0 HA SER A 20 -6.729 6.270 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.446 8.075 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.985 6.505 -6.751 1.00 0.00 H new ATOM 0 HG SER A 20 -10.287 6.763 -6.635 1.00 0.00 H new ATOM 272 N MET A 21 -6.218 8.157 -3.338 1.00 0.00 N ATOM 273 CA MET A 21 -5.839 9.355 -2.598 1.00 0.00 C ATOM 274 C MET A 21 -4.645 10.044 -3.252 1.00 0.00 C ATOM 275 O MET A 21 -3.743 9.399 -3.787 1.00 0.00 O ATOM 276 CB MET A 21 -5.506 9.000 -1.148 1.00 0.00 C ATOM 277 CG MET A 21 -5.622 7.516 -0.843 1.00 0.00 C ATOM 278 SD MET A 21 -4.184 6.579 -1.395 1.00 0.00 S ATOM 279 CE MET A 21 -3.989 5.426 -0.038 1.00 0.00 C ATOM 0 H MET A 21 -5.486 7.450 -3.400 1.00 0.00 H new ATOM 0 HA MET A 21 -6.685 10.043 -2.612 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.491 9.330 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.173 9.552 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.750 7.379 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.516 7.119 -1.324 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.026 4.923 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.034 5.966 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.788 4.686 -0.072 1.00 0.00 H new ATOM 289 N PRO A 22 -4.638 11.384 -3.211 1.00 0.00 N ATOM 290 CA PRO A 22 -3.561 12.189 -3.794 1.00 0.00 C ATOM 291 C PRO A 22 -2.255 12.060 -3.018 1.00 0.00 C ATOM 292 O PRO A 22 -2.233 11.536 -1.905 1.00 0.00 O ATOM 293 CB PRO A 22 -4.098 13.619 -3.705 1.00 0.00 C ATOM 294 CG PRO A 22 -5.067 13.590 -2.573 1.00 0.00 C ATOM 295 CD PRO A 22 -5.681 12.218 -2.590 1.00 0.00 C ATOM 0 HA PRO A 22 -3.320 11.873 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.295 14.333 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.583 13.918 -4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.565 13.781 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.829 14.360 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.924 11.874 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.606 12.199 -3.166 1.00 0.00 H new ATOM 303 N ALA A 23 -1.168 12.543 -3.611 1.00 0.00 N ATOM 304 CA ALA A 23 0.141 12.484 -2.974 1.00 0.00 C ATOM 305 C ALA A 23 0.130 13.207 -1.631 1.00 0.00 C ATOM 306 O ALA A 23 -0.922 13.384 -1.017 1.00 0.00 O ATOM 307 CB ALA A 23 1.201 13.080 -3.888 1.00 0.00 C ATOM 0 H ALA A 23 -1.169 12.980 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 23 0.382 11.437 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.174 13.029 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.234 12.518 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.955 14.121 -4.100 1.00 0.00 H new ATOM 391 N ARG A 29 4.925 9.987 3.374 1.00 0.00 N ATOM 392 CA ARG A 29 3.757 9.176 3.051 1.00 0.00 C ATOM 393 C ARG A 29 2.699 9.288 4.145 1.00 0.00 C ATOM 394 O ARG A 29 2.862 10.037 5.107 1.00 0.00 O ATOM 395 CB ARG A 29 4.160 7.713 2.864 1.00 0.00 C ATOM 396 CG ARG A 29 5.342 7.293 3.722 1.00 0.00 C ATOM 397 CD ARG A 29 6.661 7.736 3.109 1.00 0.00 C ATOM 398 NE ARG A 29 7.734 6.780 3.367 1.00 0.00 N ATOM 399 CZ ARG A 29 7.847 5.614 2.739 1.00 0.00 C ATOM 400 NH1 ARG A 29 6.957 5.264 1.821 1.00 0.00 N ATOM 401 NH2 ARG A 29 8.851 4.797 3.030 1.00 0.00 N ATOM 0 HA ARG A 29 3.333 9.550 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.307 7.077 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.404 7.543 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.240 7.723 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.340 6.209 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.537 7.860 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.939 8.710 3.512 1.00 0.00 H new ATOM 0 HE ARG A 29 8.435 7.020 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.184 5.890 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.045 4.369 1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.537 5.063 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.937 3.902 2.548 1.00 0.00 H new ATOM 415 N GLY A 30 1.612 8.536 3.989 1.00 0.00 N ATOM 416 CA GLY A 30 0.544 8.566 4.970 1.00 0.00 C ATOM 417 C GLY A 30 0.169 7.181 5.461 1.00 0.00 C ATOM 418 O GLY A 30 -0.757 7.027 6.258 1.00 0.00 O ATOM 0 H GLY A 30 1.453 7.908 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.851 9.178 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.333 9.043 4.533 1.00 0.00 H new ATOM 422 N PHE A 31 0.888 6.171 4.983 1.00 0.00 N ATOM 423 CA PHE A 31 0.625 4.792 5.376 1.00 0.00 C ATOM 424 C PHE A 31 1.830 3.903 5.085 1.00 0.00 C ATOM 425 O PHE A 31 2.632 4.197 4.198 1.00 0.00 O ATOM 426 CB PHE A 31 -0.607 4.257 4.643 1.00 0.00 C ATOM 427 CG PHE A 31 -0.307 3.748 3.261 1.00 0.00 C ATOM 428 CD1 PHE A 31 0.177 4.602 2.284 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.510 2.415 2.941 1.00 0.00 C ATOM 430 CE1 PHE A 31 0.453 4.137 1.012 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.234 1.945 1.671 1.00 0.00 C ATOM 432 CZ PHE A 31 0.247 2.807 0.705 1.00 0.00 C ATOM 0 H PHE A 31 1.658 6.282 4.323 1.00 0.00 H new ATOM 0 HA PHE A 31 0.436 4.777 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.049 3.452 5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.353 5.049 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.341 5.643 2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.888 1.737 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.829 4.814 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.394 0.904 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.461 2.441 -0.288 1.00 0.00 H new ATOM 442 N SER A 32 1.952 2.816 5.839 1.00 0.00 N ATOM 443 CA SER A 32 3.062 1.886 5.666 1.00 0.00 C ATOM 444 C SER A 32 2.566 0.537 5.156 1.00 0.00 C ATOM 445 O SER A 32 1.389 0.203 5.292 1.00 0.00 O ATOM 446 CB SER A 32 3.811 1.700 6.987 1.00 0.00 C ATOM 447 OG SER A 32 3.721 2.863 7.792 1.00 0.00 O ATOM 0 H SER A 32 1.296 2.557 6.576 1.00 0.00 H new ATOM 0 HA SER A 32 3.743 2.307 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.398 0.848 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.858 1.473 6.786 1.00 0.00 H new ATOM 0 HG SER A 32 4.206 2.718 8.631 1.00 0.00 H new ATOM 453 N VAL A 33 3.473 -0.236 4.567 1.00 0.00 N ATOM 454 CA VAL A 33 3.129 -1.550 4.036 1.00 0.00 C ATOM 455 C VAL A 33 4.235 -2.562 4.316 1.00 0.00 C ATOM 456 O VAL A 33 5.418 -2.222 4.317 1.00 0.00 O ATOM 457 CB VAL A 33 2.872 -1.493 2.519 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.874 -0.394 2.187 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.177 -1.284 1.765 1.00 0.00 C ATOM 0 H VAL A 33 4.452 0.025 4.445 1.00 0.00 H new ATOM 0 HA VAL A 33 2.215 -1.866 4.539 1.00 0.00 H new ATOM 0 HB VAL A 33 2.445 -2.446 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.705 -0.369 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.932 -0.592 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.269 0.568 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.977 -1.246 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.634 -0.347 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.856 -2.109 1.978 1.00 0.00 H new ATOM 469 N THR A 34 3.842 -3.810 4.552 1.00 0.00 N ATOM 470 CA THR A 34 4.799 -4.873 4.834 1.00 0.00 C ATOM 471 C THR A 34 5.005 -5.764 3.614 1.00 0.00 C ATOM 472 O THR A 34 4.044 -6.253 3.021 1.00 0.00 O ATOM 473 CB THR A 34 4.340 -5.742 6.020 1.00 0.00 C ATOM 474 OG1 THR A 34 4.380 -4.979 7.231 1.00 0.00 O ATOM 475 CG2 THR A 34 5.222 -6.973 6.161 1.00 0.00 C ATOM 0 H THR A 34 2.867 -4.109 4.553 1.00 0.00 H new ATOM 0 HA THR A 34 5.742 -4.390 5.091 1.00 0.00 H new ATOM 0 HB THR A 34 3.317 -6.067 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.085 -5.538 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.879 -7.572 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.167 -7.567 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.253 -6.664 6.331 1.00 0.00 H new ATOM 483 N VAL A 35 6.265 -5.973 3.246 1.00 0.00 N ATOM 484 CA VAL A 35 6.597 -6.808 2.098 1.00 0.00 C ATOM 485 C VAL A 35 7.292 -8.092 2.535 1.00 0.00 C ATOM 486 O VAL A 35 8.121 -8.082 3.444 1.00 0.00 O ATOM 487 CB VAL A 35 7.505 -6.059 1.103 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.101 -7.026 0.092 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.729 -4.954 0.403 1.00 0.00 C ATOM 0 H VAL A 35 7.072 -5.576 3.726 1.00 0.00 H new ATOM 0 HA VAL A 35 5.657 -7.057 1.605 1.00 0.00 H new ATOM 0 HB VAL A 35 8.324 -5.601 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.739 -6.479 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.693 -7.778 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.299 -7.515 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.385 -4.435 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.889 -5.387 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.356 -4.246 1.143 1.00 0.00 H new ATOM 499 N GLU A 36 6.948 -9.197 1.881 1.00 0.00 N ATOM 500 CA GLU A 36 7.539 -10.490 2.203 1.00 0.00 C ATOM 501 C GLU A 36 7.752 -11.321 0.941 1.00 0.00 C ATOM 502 O GLU A 36 6.805 -11.617 0.213 1.00 0.00 O ATOM 503 CB GLU A 36 6.647 -11.253 3.185 1.00 0.00 C ATOM 504 CG GLU A 36 7.097 -11.139 4.632 1.00 0.00 C ATOM 505 CD GLU A 36 6.876 -12.418 5.414 1.00 0.00 C ATOM 506 OE1 GLU A 36 7.286 -13.492 4.926 1.00 0.00 O ATOM 507 OE2 GLU A 36 6.292 -12.346 6.516 1.00 0.00 O ATOM 0 H GLU A 36 6.263 -9.222 1.125 1.00 0.00 H new ATOM 0 HA GLU A 36 8.509 -10.312 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.626 -10.880 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.626 -12.305 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.155 -10.879 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.556 -10.325 5.114 1.00 0.00 H new ATOM 514 N SER A 37 9.003 -11.694 0.689 1.00 0.00 N ATOM 515 CA SER A 37 9.342 -12.486 -0.487 1.00 0.00 C ATOM 516 C SER A 37 9.344 -13.976 -0.156 1.00 0.00 C ATOM 517 O SER A 37 9.818 -14.387 0.903 1.00 0.00 O ATOM 518 CB SER A 37 10.710 -12.071 -1.031 1.00 0.00 C ATOM 519 OG SER A 37 11.244 -13.069 -1.883 1.00 0.00 O ATOM 0 H SER A 37 9.798 -11.460 1.284 1.00 0.00 H new ATOM 0 HA SER A 37 8.585 -12.302 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.618 -11.133 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.395 -11.891 -0.202 1.00 0.00 H new ATOM 0 HG SER A 37 12.118 -12.779 -2.219 1.00 0.00 H new ATOM 571 N TYR A 42 10.565 -11.979 -6.687 1.00 0.00 N ATOM 572 CA TYR A 42 9.553 -10.931 -6.737 1.00 0.00 C ATOM 573 C TYR A 42 8.572 -11.064 -5.576 1.00 0.00 C ATOM 574 O TYR A 42 8.367 -12.154 -5.044 1.00 0.00 O ATOM 575 CB TYR A 42 8.797 -10.986 -8.066 1.00 0.00 C ATOM 576 CG TYR A 42 8.492 -12.392 -8.532 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.478 -13.182 -9.110 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.218 -12.929 -8.394 1.00 0.00 C ATOM 579 CE1 TYR A 42 9.203 -14.467 -9.537 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.935 -14.213 -8.817 1.00 0.00 C ATOM 581 CZ TYR A 42 7.931 -14.978 -9.388 1.00 0.00 C ATOM 582 OH TYR A 42 7.653 -16.257 -9.812 1.00 0.00 O ATOM 0 HA TYR A 42 10.059 -9.969 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.862 -10.435 -7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.386 -10.479 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.476 -12.785 -9.227 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.436 -12.332 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.980 -15.068 -9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.940 -14.616 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 42 6.712 -16.464 -9.633 1.00 0.00 H new ATOM 592 N ALA A 43 7.968 -9.945 -5.189 1.00 0.00 N ATOM 593 CA ALA A 43 7.007 -9.935 -4.093 1.00 0.00 C ATOM 594 C ALA A 43 5.879 -10.931 -4.344 1.00 0.00 C ATOM 595 O ALA A 43 5.714 -11.431 -5.457 1.00 0.00 O ATOM 596 CB ALA A 43 6.443 -8.536 -3.898 1.00 0.00 C ATOM 0 H ALA A 43 8.127 -9.034 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 43 7.527 -10.235 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.727 -8.544 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.254 -7.846 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.943 -8.215 -4.812 1.00 0.00 H new ATOM 602 N THR A 44 5.105 -11.216 -3.301 1.00 0.00 N ATOM 603 CA THR A 44 3.995 -12.154 -3.407 1.00 0.00 C ATOM 604 C THR A 44 2.938 -11.878 -2.343 1.00 0.00 C ATOM 605 O THR A 44 1.739 -11.982 -2.602 1.00 0.00 O ATOM 606 CB THR A 44 4.475 -13.611 -3.272 1.00 0.00 C ATOM 607 OG1 THR A 44 3.361 -14.505 -3.376 1.00 0.00 O ATOM 608 CG2 THR A 44 5.183 -13.827 -1.943 1.00 0.00 C ATOM 0 H THR A 44 5.227 -10.810 -2.373 1.00 0.00 H new ATOM 0 HA THR A 44 3.557 -12.014 -4.395 1.00 0.00 H new ATOM 0 HB THR A 44 5.180 -13.814 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.674 -15.430 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.513 -14.863 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.047 -13.166 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.497 -13.607 -1.125 1.00 0.00 H new ATOM 616 N THR A 45 3.391 -11.525 -1.144 1.00 0.00 N ATOM 617 CA THR A 45 2.485 -11.234 -0.040 1.00 0.00 C ATOM 618 C THR A 45 2.670 -9.807 0.462 1.00 0.00 C ATOM 619 O THR A 45 3.764 -9.418 0.870 1.00 0.00 O ATOM 620 CB THR A 45 2.697 -12.210 1.133 1.00 0.00 C ATOM 621 OG1 THR A 45 2.755 -13.556 0.646 1.00 0.00 O ATOM 622 CG2 THR A 45 1.576 -12.082 2.153 1.00 0.00 C ATOM 0 H THR A 45 4.380 -11.434 -0.913 1.00 0.00 H new ATOM 0 HA THR A 45 1.472 -11.353 -0.424 1.00 0.00 H new ATOM 0 HB THR A 45 3.640 -11.959 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.892 -14.170 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.747 -12.781 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.554 -11.064 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.622 -12.309 1.676 1.00 0.00 H new ATOM 630 N VAL A 46 1.592 -9.029 0.429 1.00 0.00 N ATOM 631 CA VAL A 46 1.636 -7.644 0.883 1.00 0.00 C ATOM 632 C VAL A 46 0.500 -7.349 1.856 1.00 0.00 C ATOM 633 O VAL A 46 -0.675 -7.470 1.509 1.00 0.00 O ATOM 634 CB VAL A 46 1.550 -6.663 -0.301 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.545 -5.225 0.196 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.699 -6.897 -1.270 1.00 0.00 C ATOM 0 H VAL A 46 0.679 -9.334 0.093 1.00 0.00 H new ATOM 0 HA VAL A 46 2.591 -7.507 1.391 1.00 0.00 H new ATOM 0 HB VAL A 46 0.615 -6.842 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.484 -4.546 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.686 -5.068 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.462 -5.029 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.623 -6.195 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.647 -6.746 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.652 -7.917 -1.651 1.00 0.00 H new ATOM 646 N GLN A 47 0.859 -6.961 3.076 1.00 0.00 N ATOM 647 CA GLN A 47 -0.131 -6.649 4.100 1.00 0.00 C ATOM 648 C GLN A 47 0.189 -5.321 4.779 1.00 0.00 C ATOM 649 O GLN A 47 1.317 -5.090 5.214 1.00 0.00 O ATOM 650 CB GLN A 47 -0.189 -7.767 5.142 1.00 0.00 C ATOM 651 CG GLN A 47 -1.449 -8.613 5.057 1.00 0.00 C ATOM 652 CD GLN A 47 -1.945 -9.059 6.419 1.00 0.00 C ATOM 653 OE1 GLN A 47 -1.782 -8.352 7.414 1.00 0.00 O ATOM 654 NE2 GLN A 47 -2.554 -10.238 6.470 1.00 0.00 N ATOM 0 H GLN A 47 1.827 -6.855 3.379 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.104 -6.564 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.681 -8.412 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.122 -7.328 6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.232 -8.042 4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.252 -9.490 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.667 -10.791 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.909 -10.591 7.359 1.00 0.00 H new ATOM 663 N VAL A 48 -0.812 -4.451 4.868 1.00 0.00 N ATOM 664 CA VAL A 48 -0.638 -3.146 5.495 1.00 0.00 C ATOM 665 C VAL A 48 -0.170 -3.289 6.939 1.00 0.00 C ATOM 666 O VAL A 48 -0.596 -4.195 7.655 1.00 0.00 O ATOM 667 CB VAL A 48 -1.945 -2.332 5.468 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.724 -0.948 6.060 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.482 -2.233 4.048 1.00 0.00 C ATOM 0 H VAL A 48 -1.752 -4.626 4.514 1.00 0.00 H new ATOM 0 HA VAL A 48 0.122 -2.617 4.920 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.687 -2.848 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.658 -0.387 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.388 -1.043 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.967 -0.421 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.406 -1.655 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.745 -1.740 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.680 -3.233 3.663 1.00 0.00 H new ATOM 679 N LYS A 49 0.710 -2.387 7.361 1.00 0.00 N ATOM 680 CA LYS A 49 1.236 -2.409 8.721 1.00 0.00 C ATOM 681 C LYS A 49 0.607 -1.306 9.566 1.00 0.00 C ATOM 682 O LYS A 49 -0.061 -1.580 10.563 1.00 0.00 O ATOM 683 CB LYS A 49 2.757 -2.249 8.704 1.00 0.00 C ATOM 684 CG LYS A 49 3.395 -2.348 10.079 1.00 0.00 C ATOM 685 CD LYS A 49 4.891 -2.598 9.983 1.00 0.00 C ATOM 686 CE LYS A 49 5.687 -1.334 10.269 1.00 0.00 C ATOM 687 NZ LYS A 49 6.991 -1.636 10.922 1.00 0.00 N ATOM 0 H LYS A 49 1.074 -1.631 6.780 1.00 0.00 H new ATOM 0 HA LYS A 49 0.983 -3.371 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.187 -3.014 8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.007 -1.283 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.214 -1.426 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.926 -3.155 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.177 -3.377 10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.136 -2.966 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.863 -0.797 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.103 -0.675 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.504 -0.749 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.822 -2.126 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.559 -2.244 10.298 1.00 0.00 H new ATOM 701 N GLU A 50 0.824 -0.059 9.160 1.00 0.00 N ATOM 702 CA GLU A 50 0.277 1.084 9.881 1.00 0.00 C ATOM 703 C GLU A 50 -0.468 2.020 8.932 1.00 0.00 C ATOM 704 O GLU A 50 -0.125 2.131 7.755 1.00 0.00 O ATOM 705 CB GLU A 50 1.395 1.848 10.594 1.00 0.00 C ATOM 706 CG GLU A 50 1.429 1.615 12.095 1.00 0.00 C ATOM 707 CD GLU A 50 1.640 2.895 12.880 1.00 0.00 C ATOM 708 OE1 GLU A 50 0.791 3.804 12.773 1.00 0.00 O ATOM 709 OE2 GLU A 50 2.656 2.988 13.601 1.00 0.00 O ATOM 0 H GLU A 50 1.374 0.185 8.337 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.428 0.709 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.354 1.554 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.274 2.914 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.494 1.151 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.228 0.912 12.332 1.00 0.00 H new ATOM 716 N VAL A 51 -1.490 2.691 9.454 1.00 0.00 N ATOM 717 CA VAL A 51 -2.283 3.617 8.655 1.00 0.00 C ATOM 718 C VAL A 51 -2.565 4.903 9.424 1.00 0.00 C ATOM 719 O VAL A 51 -3.077 4.871 10.542 1.00 0.00 O ATOM 720 CB VAL A 51 -3.621 2.985 8.226 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.375 3.916 7.289 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.384 1.632 7.571 1.00 0.00 C ATOM 0 H VAL A 51 -1.788 2.610 10.426 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.698 3.849 7.765 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.233 2.831 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.317 3.453 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.576 4.859 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.772 4.104 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.339 1.199 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.754 1.759 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.889 0.967 8.279 1.00 0.00 H new ATOM 732 N ASN A 52 -2.228 6.036 8.815 1.00 0.00 N ATOM 733 CA ASN A 52 -2.445 7.334 9.442 1.00 0.00 C ATOM 734 C ASN A 52 -3.597 8.076 8.773 1.00 0.00 C ATOM 735 O ASN A 52 -3.604 8.266 7.556 1.00 0.00 O ATOM 736 CB ASN A 52 -1.170 8.178 9.370 1.00 0.00 C ATOM 737 CG ASN A 52 -0.918 8.955 10.648 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.788 8.374 11.725 1.00 0.00 O ATOM 739 ND2 ASN A 52 -0.849 10.276 10.532 1.00 0.00 N ATOM 0 H ASN A 52 -1.804 6.081 7.888 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.703 7.166 10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.318 7.528 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.245 8.873 8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.682 10.852 11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.963 10.714 9.618 1.00 0.00 H new ATOM 746 N ARG A 53 -4.571 8.494 9.576 1.00 0.00 N ATOM 747 CA ARG A 53 -5.729 9.214 9.061 1.00 0.00 C ATOM 748 C ARG A 53 -5.413 10.696 8.884 1.00 0.00 C ATOM 749 O ARG A 53 -5.995 11.368 8.032 1.00 0.00 O ATOM 750 CB ARG A 53 -6.922 9.046 10.005 1.00 0.00 C ATOM 751 CG ARG A 53 -7.621 7.703 9.869 1.00 0.00 C ATOM 752 CD ARG A 53 -7.654 6.956 11.192 1.00 0.00 C ATOM 753 NE ARG A 53 -6.324 6.828 11.783 1.00 0.00 N ATOM 754 CZ ARG A 53 -6.112 6.543 13.062 1.00 0.00 C ATOM 755 NH1 ARG A 53 -7.138 6.356 13.882 1.00 0.00 N ATOM 756 NH2 ARG A 53 -4.872 6.444 13.525 1.00 0.00 N ATOM 0 H ARG A 53 -4.581 8.346 10.585 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.982 8.795 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.581 9.166 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.642 9.842 9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.639 7.856 9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.108 7.098 9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.311 7.479 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.079 5.964 11.038 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.513 6.965 11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.092 6.431 13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.972 6.137 14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.080 6.587 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.711 6.225 14.508 1.00 0.00 H new ATOM 770 N MET A 54 -4.487 11.200 9.694 1.00 0.00 N ATOM 771 CA MET A 54 -4.093 12.602 9.625 1.00 0.00 C ATOM 772 C MET A 54 -3.515 12.938 8.254 1.00 0.00 C ATOM 773 O MET A 54 -3.470 14.103 7.857 1.00 0.00 O ATOM 774 CB MET A 54 -3.068 12.920 10.716 1.00 0.00 C ATOM 775 CG MET A 54 -3.455 14.104 11.587 1.00 0.00 C ATOM 776 SD MET A 54 -4.492 13.629 12.984 1.00 0.00 S ATOM 777 CE MET A 54 -4.073 14.908 14.166 1.00 0.00 C ATOM 0 H MET A 54 -3.996 10.658 10.405 1.00 0.00 H new ATOM 0 HA MET A 54 -4.983 13.212 9.783 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.938 12.042 11.348 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.104 13.122 10.249 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.551 14.588 11.958 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.984 14.839 10.980 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.636 14.751 15.086 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.005 14.868 14.382 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.323 15.884 13.750 1.00 0.00 H new ATOM 787 N HIS A 55 -3.073 11.911 7.536 1.00 0.00 N ATOM 788 CA HIS A 55 -2.498 12.098 6.208 1.00 0.00 C ATOM 789 C HIS A 55 -3.433 11.561 5.130 1.00 0.00 C ATOM 790 O HIS A 55 -3.544 12.137 4.047 1.00 0.00 O ATOM 791 CB HIS A 55 -1.140 11.401 6.115 1.00 0.00 C ATOM 792 CG HIS A 55 -0.050 12.113 6.856 1.00 0.00 C ATOM 793 ND1 HIS A 55 0.976 11.454 7.501 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.173 13.433 7.050 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.781 12.339 8.062 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.316 13.548 7.802 1.00 0.00 N ATOM 0 H HIS A 55 -3.102 10.941 7.851 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.362 13.167 6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.233 10.388 6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.857 11.312 5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.435 14.246 6.682 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.668 12.113 8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.738 14.424 8.110 1.00 0.00 H new ATOM 805 N ILE A 56 -4.104 10.454 5.433 1.00 0.00 N ATOM 806 CA ILE A 56 -5.030 9.840 4.489 1.00 0.00 C ATOM 807 C ILE A 56 -6.407 10.490 4.569 1.00 0.00 C ATOM 808 O ILE A 56 -7.027 10.527 5.632 1.00 0.00 O ATOM 809 CB ILE A 56 -5.173 8.328 4.743 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.852 7.612 4.449 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.295 7.752 3.893 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.790 6.207 5.005 1.00 0.00 C ATOM 0 H ILE A 56 -4.024 9.965 6.324 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.615 9.995 3.493 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.423 8.173 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.701 7.574 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.031 8.196 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.384 6.682 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.233 8.245 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.073 7.915 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.827 5.761 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.909 6.239 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.589 5.608 4.569 1.00 0.00 H new ATOM 824 N SER A 57 -6.881 11.000 3.436 1.00 0.00 N ATOM 825 CA SER A 57 -8.185 11.650 3.378 1.00 0.00 C ATOM 826 C SER A 57 -9.208 10.894 4.220 1.00 0.00 C ATOM 827 O SER A 57 -9.140 9.675 4.378 1.00 0.00 O ATOM 828 CB SER A 57 -8.668 11.742 1.929 1.00 0.00 C ATOM 829 OG SER A 57 -9.412 10.592 1.566 1.00 0.00 O ATOM 0 H SER A 57 -6.382 10.975 2.547 1.00 0.00 H new ATOM 0 HA SER A 57 -8.080 12.656 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.284 12.632 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.812 11.850 1.263 1.00 0.00 H new ATOM 0 HG SER A 57 -10.081 10.834 0.892 1.00 0.00 H new ATOM 835 N PRO A 58 -10.179 11.634 4.776 1.00 0.00 N ATOM 836 CA PRO A 58 -11.235 11.055 5.612 1.00 0.00 C ATOM 837 C PRO A 58 -12.210 10.203 4.806 1.00 0.00 C ATOM 838 O PRO A 58 -13.043 9.495 5.370 1.00 0.00 O ATOM 839 CB PRO A 58 -11.946 12.283 6.186 1.00 0.00 C ATOM 840 CG PRO A 58 -11.686 13.367 5.198 1.00 0.00 C ATOM 841 CD PRO A 58 -10.321 13.092 4.631 1.00 0.00 C ATOM 0 HA PRO A 58 -10.833 10.385 6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.014 12.103 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.556 12.542 7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.442 13.369 4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.720 14.346 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.249 13.401 3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.544 13.628 5.176 1.00 0.00 H new ATOM 849 N ASN A 59 -12.101 10.277 3.483 1.00 0.00 N ATOM 850 CA ASN A 59 -12.973 9.512 2.600 1.00 0.00 C ATOM 851 C ASN A 59 -12.298 8.219 2.155 1.00 0.00 C ATOM 852 O ASN A 59 -12.852 7.458 1.362 1.00 0.00 O ATOM 853 CB ASN A 59 -13.355 10.349 1.377 1.00 0.00 C ATOM 854 CG ASN A 59 -14.471 11.332 1.675 1.00 0.00 C ATOM 855 OD1 ASN A 59 -14.247 12.372 2.295 1.00 0.00 O ATOM 856 ND2 ASN A 59 -15.680 11.007 1.234 1.00 0.00 N ATOM 0 H ASN A 59 -11.417 10.859 2.999 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.876 9.257 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.479 10.894 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.664 9.686 0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.470 11.630 1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.819 10.135 0.724 1.00 0.00 H new ATOM 863 N ASN A 60 -11.097 7.977 2.671 1.00 0.00 N ATOM 864 CA ASN A 60 -10.346 6.775 2.326 1.00 0.00 C ATOM 865 C ASN A 60 -9.841 6.070 3.582 1.00 0.00 C ATOM 866 O ASN A 60 -9.127 5.071 3.501 1.00 0.00 O ATOM 867 CB ASN A 60 -9.166 7.129 1.418 1.00 0.00 C ATOM 868 CG ASN A 60 -9.613 7.713 0.092 1.00 0.00 C ATOM 869 OD1 ASN A 60 -10.443 7.131 -0.608 1.00 0.00 O ATOM 870 ND2 ASN A 60 -9.063 8.869 -0.261 1.00 0.00 N ATOM 0 H ASN A 60 -10.624 8.596 3.329 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.015 6.098 1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.520 7.844 1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.570 6.235 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.324 9.310 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.379 9.316 0.350 1.00 0.00 H new ATOM 877 N ARG A 61 -10.219 6.598 4.742 1.00 0.00 N ATOM 878 CA ARG A 61 -9.805 6.020 6.015 1.00 0.00 C ATOM 879 C ARG A 61 -10.738 4.886 6.427 1.00 0.00 C ATOM 880 O ARG A 61 -10.593 4.309 7.504 1.00 0.00 O ATOM 881 CB ARG A 61 -9.780 7.095 7.103 1.00 0.00 C ATOM 882 CG ARG A 61 -11.096 7.237 7.849 1.00 0.00 C ATOM 883 CD ARG A 61 -11.130 8.509 8.683 1.00 0.00 C ATOM 884 NE ARG A 61 -11.384 8.231 10.094 1.00 0.00 N ATOM 885 CZ ARG A 61 -11.024 9.046 11.079 1.00 0.00 C ATOM 886 NH1 ARG A 61 -10.399 10.184 10.809 1.00 0.00 N ATOM 887 NH2 ARG A 61 -11.291 8.724 12.339 1.00 0.00 N ATOM 0 H ARG A 61 -10.811 7.424 4.826 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.801 5.614 5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.991 6.859 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.524 8.053 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.920 7.246 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.244 6.372 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.180 9.034 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.904 9.174 8.299 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.864 7.364 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.193 10.436 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.124 10.807 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.773 7.850 12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.014 9.350 13.095 1.00 0.00 H new ATOM 901 N ASN A 62 -11.697 4.572 5.562 1.00 0.00 N ATOM 902 CA ASN A 62 -12.656 3.508 5.836 1.00 0.00 C ATOM 903 C ASN A 62 -12.374 2.285 4.969 1.00 0.00 C ATOM 904 O ASN A 62 -12.746 1.165 5.317 1.00 0.00 O ATOM 905 CB ASN A 62 -14.083 4.003 5.591 1.00 0.00 C ATOM 906 CG ASN A 62 -15.063 3.476 6.622 1.00 0.00 C ATOM 907 OD1 ASN A 62 -14.757 3.418 7.813 1.00 0.00 O ATOM 908 ND2 ASN A 62 -16.248 3.087 6.166 1.00 0.00 N ATOM 0 H ASN A 62 -11.831 5.039 4.665 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.553 3.221 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.094 5.093 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.406 3.695 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.948 2.722 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.458 3.153 5.170 1.00 0.00 H new ATOM 915 N ALA A 63 -11.713 2.508 3.838 1.00 0.00 N ATOM 916 CA ALA A 63 -11.378 1.425 2.922 1.00 0.00 C ATOM 917 C ALA A 63 -10.169 0.640 3.419 1.00 0.00 C ATOM 918 O ALA A 63 -10.272 -0.548 3.726 1.00 0.00 O ATOM 919 CB ALA A 63 -11.116 1.974 1.527 1.00 0.00 C ATOM 0 H ALA A 63 -11.399 3.430 3.534 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.228 0.744 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.867 1.154 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.008 2.484 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.285 2.678 1.563 1.00 0.00 H new ATOM 925 N ILE A 64 -9.024 1.311 3.495 1.00 0.00 N ATOM 926 CA ILE A 64 -7.796 0.675 3.955 1.00 0.00 C ATOM 927 C ILE A 64 -7.744 0.617 5.478 1.00 0.00 C ATOM 928 O ILE A 64 -8.462 1.346 6.163 1.00 0.00 O ATOM 929 CB ILE A 64 -6.550 1.418 3.438 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.345 0.476 3.405 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.257 2.631 4.308 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.402 0.741 2.253 1.00 0.00 C ATOM 0 H ILE A 64 -8.922 2.294 3.244 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.797 -0.339 3.555 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.746 1.763 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.796 0.569 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.700 -0.553 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.374 3.145 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.110 3.310 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.078 2.308 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.572 0.036 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.936 0.620 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.018 1.759 2.324 1.00 0.00 H new ATOM 944 N HIS A 65 -6.888 -0.254 6.003 1.00 0.00 N ATOM 945 CA HIS A 65 -6.740 -0.406 7.446 1.00 0.00 C ATOM 946 C HIS A 65 -5.496 -1.223 7.781 1.00 0.00 C ATOM 947 O HIS A 65 -4.988 -1.991 6.963 1.00 0.00 O ATOM 948 CB HIS A 65 -7.979 -1.076 8.039 1.00 0.00 C ATOM 949 CG HIS A 65 -9.125 -0.134 8.253 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.966 1.145 8.741 1.00 0.00 N ATOM 951 CD2 HIS A 65 -10.452 -0.292 8.039 1.00 0.00 C ATOM 952 CE1 HIS A 65 -10.146 1.733 8.820 1.00 0.00 C ATOM 953 NE2 HIS A 65 -11.065 0.883 8.400 1.00 0.00 N ATOM 0 H HIS A 65 -6.286 -0.865 5.451 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.630 0.587 7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.299 -1.880 7.377 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.713 -1.534 8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.938 -1.177 7.656 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.328 2.739 9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.067 1.069 8.352 1.00 0.00 H new ATOM 962 N PRO A 66 -4.991 -1.056 9.013 1.00 0.00 N ATOM 963 CA PRO A 66 -3.801 -1.769 9.484 1.00 0.00 C ATOM 964 C PRO A 66 -4.059 -3.258 9.687 1.00 0.00 C ATOM 965 O PRO A 66 -4.549 -3.676 10.735 1.00 0.00 O ATOM 966 CB PRO A 66 -3.489 -1.094 10.822 1.00 0.00 C ATOM 967 CG PRO A 66 -4.796 -0.547 11.284 1.00 0.00 C ATOM 968 CD PRO A 66 -5.545 -0.157 10.040 1.00 0.00 C ATOM 0 HA PRO A 66 -2.984 -1.718 8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.082 -1.807 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.748 -0.303 10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.350 -1.291 11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.650 0.313 11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.620 -0.295 10.158 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.384 0.891 9.786 1.00 0.00 H new ATOM 976 N GLY A 67 -3.726 -4.055 8.675 1.00 0.00 N ATOM 977 CA GLY A 67 -3.929 -5.489 8.763 1.00 0.00 C ATOM 978 C GLY A 67 -4.415 -6.086 7.458 1.00 0.00 C ATOM 979 O GLY A 67 -4.205 -7.270 7.192 1.00 0.00 O ATOM 0 H GLY A 67 -3.320 -3.733 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.994 -5.968 9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.653 -5.703 9.549 1.00 0.00 H new ATOM 983 N ASP A 68 -5.069 -5.267 6.641 1.00 0.00 N ATOM 984 CA ASP A 68 -5.587 -5.722 5.356 1.00 0.00 C ATOM 985 C ASP A 68 -4.448 -6.083 4.408 1.00 0.00 C ATOM 986 O ASP A 68 -3.278 -5.848 4.710 1.00 0.00 O ATOM 987 CB ASP A 68 -6.468 -4.642 4.727 1.00 0.00 C ATOM 988 CG ASP A 68 -7.795 -4.487 5.443 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.201 -5.432 6.152 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.428 -3.420 5.296 1.00 0.00 O ATOM 0 H ASP A 68 -5.253 -4.285 6.846 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.188 -6.615 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.937 -3.690 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.650 -4.889 3.681 1.00 0.00 H new ATOM 995 N ARG A 69 -4.799 -6.655 3.261 1.00 0.00 N ATOM 996 CA ARG A 69 -3.806 -7.051 2.269 1.00 0.00 C ATOM 997 C ARG A 69 -4.095 -6.399 0.920 1.00 0.00 C ATOM 998 O ARG A 69 -5.231 -6.410 0.445 1.00 0.00 O ATOM 999 CB ARG A 69 -3.784 -8.573 2.118 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.742 -9.094 1.059 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.103 -10.551 1.302 1.00 0.00 C ATOM 1002 NE ARG A 69 -4.018 -11.283 1.948 1.00 0.00 N ATOM 1003 CZ ARG A 69 -4.191 -12.424 2.607 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -5.400 -12.959 2.706 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -3.153 -13.031 3.168 1.00 0.00 N ATOM 0 H ARG A 69 -5.763 -6.855 2.995 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.829 -6.713 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.772 -8.890 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.033 -9.028 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.649 -8.489 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.288 -8.990 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.997 -10.604 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.347 -11.027 0.352 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.075 -10.898 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.200 -12.495 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.530 -13.835 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.222 -12.622 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.286 -13.907 3.674 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.060 -5.832 0.309 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.204 -5.176 -0.984 1.00 0.00 C ATOM 1021 C ILE A 70 -2.984 -6.161 -2.127 1.00 0.00 C ATOM 1022 O ILE A 70 -1.971 -6.861 -2.172 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.215 -4.005 -1.134 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.507 -2.926 -0.089 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.291 -3.423 -2.538 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.278 -2.466 0.664 1.00 0.00 C ATOM 0 H ILE A 70 -2.113 -5.814 0.689 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.222 -4.790 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.204 -4.380 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.963 -2.068 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.237 -3.310 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.586 -2.596 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.040 -4.195 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.301 -3.060 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.560 -1.701 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.833 -3.313 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.555 -2.052 -0.038 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.937 -6.209 -3.051 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.848 -7.108 -4.197 1.00 0.00 C ATOM 1040 C LEU A 71 -3.060 -6.463 -5.334 1.00 0.00 C ATOM 1041 O LEU A 71 -2.265 -7.123 -6.001 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.247 -7.488 -4.682 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.256 -7.862 -3.596 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -5.593 -8.710 -2.521 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -6.872 -6.611 -2.986 1.00 0.00 C ATOM 0 H LEU A 71 -4.781 -5.636 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.323 -8.010 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.651 -6.652 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.155 -8.329 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.052 -8.449 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.326 -8.967 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.200 -9.623 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.777 -8.149 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.588 -6.897 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.087 -5.998 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.383 -6.041 -3.762 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.288 -5.171 -5.546 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.598 -4.438 -6.601 1.00 0.00 C ATOM 1059 C GLU A 72 -2.320 -3.000 -6.173 1.00 0.00 C ATOM 1060 O GLU A 72 -3.143 -2.369 -5.508 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.429 -4.448 -7.886 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.463 -5.799 -8.579 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.723 -6.005 -9.396 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.728 -6.481 -8.826 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.706 -5.690 -10.604 1.00 0.00 O ATOM 0 H GLU A 72 -3.944 -4.611 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.645 -4.933 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.449 -4.144 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.026 -3.706 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.594 -5.891 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.386 -6.588 -7.831 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.156 -2.488 -6.558 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.770 -1.125 -6.214 1.00 0.00 C ATOM 1074 C ILE A 73 -0.795 -0.221 -7.442 1.00 0.00 C ATOM 1075 O ILE A 73 -0.077 -0.456 -8.413 1.00 0.00 O ATOM 1076 CB ILE A 73 0.635 -1.080 -5.586 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.571 -1.486 -4.112 1.00 0.00 C ATOM 1078 CG2 ILE A 73 1.236 0.310 -5.732 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.890 -1.988 -3.566 1.00 0.00 C ATOM 0 H ILE A 73 -0.464 -2.996 -7.108 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.496 -0.765 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 73 1.275 -1.788 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.245 -0.630 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.183 -2.263 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.229 0.326 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.311 0.565 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.599 1.037 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.770 -2.258 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.208 -2.864 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.643 -1.205 -3.656 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.626 0.815 -7.391 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.744 1.756 -8.498 1.00 0.00 C ATOM 1093 C ASN A 74 -2.375 1.087 -9.716 1.00 0.00 C ATOM 1094 O ASN A 74 -2.441 1.674 -10.795 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.369 2.317 -8.866 1.00 0.00 C ATOM 1096 CG ASN A 74 -0.214 3.773 -8.472 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -1.046 4.613 -8.817 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.855 4.079 -7.746 1.00 0.00 N ATOM 0 H ASN A 74 -2.228 1.024 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.390 2.574 -8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.405 1.726 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.214 2.216 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.013 5.043 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.518 3.350 -7.483 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.840 -0.145 -9.533 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.460 -0.873 -10.624 1.00 0.00 C ATOM 1107 C GLY A 75 -2.519 -1.877 -11.261 1.00 0.00 C ATOM 1108 O GLY A 75 -2.545 -2.080 -12.475 1.00 0.00 O ATOM 0 H GLY A 75 -2.798 -0.652 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.344 -1.392 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.799 -0.166 -11.382 1.00 0.00 H new ATOM 1112 N THR A 76 -1.684 -2.506 -10.440 1.00 0.00 N ATOM 1113 CA THR A 76 -0.728 -3.491 -10.930 1.00 0.00 C ATOM 1114 C THR A 76 -0.617 -4.672 -9.973 1.00 0.00 C ATOM 1115 O THR A 76 -0.730 -4.528 -8.755 1.00 0.00 O ATOM 1116 CB THR A 76 0.668 -2.871 -11.126 1.00 0.00 C ATOM 1117 OG1 THR A 76 0.698 -1.549 -10.575 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.034 -2.819 -12.602 1.00 0.00 C ATOM 0 H THR A 76 -1.651 -2.351 -9.432 1.00 0.00 H new ATOM 0 HA THR A 76 -1.100 -3.840 -11.893 1.00 0.00 H new ATOM 0 HB THR A 76 1.396 -3.497 -10.609 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.413 -1.579 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.024 -2.377 -12.716 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.038 -3.829 -13.012 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.303 -2.213 -13.137 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.389 -5.870 -10.533 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.256 -7.099 -9.746 1.00 0.00 C ATOM 1128 C PRO A 77 1.031 -7.128 -8.928 1.00 0.00 C ATOM 1129 O PRO A 77 2.129 -7.170 -9.483 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.239 -8.200 -10.809 1.00 0.00 C ATOM 1131 CG PRO A 77 0.262 -7.530 -12.041 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.244 -6.115 -11.977 1.00 0.00 C ATOM 0 HA PRO A 77 -1.058 -7.204 -9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.411 -9.024 -10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.234 -8.618 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.351 -7.554 -12.083 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.102 -8.035 -12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.457 -5.417 -12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.193 -6.004 -12.501 1.00 0.00 H new ATOM 1140 N VAL A 78 0.888 -7.105 -7.607 1.00 0.00 N ATOM 1141 CA VAL A 78 2.039 -7.130 -6.713 1.00 0.00 C ATOM 1142 C VAL A 78 2.661 -8.521 -6.657 1.00 0.00 C ATOM 1143 O VAL A 78 3.826 -8.677 -6.289 1.00 0.00 O ATOM 1144 CB VAL A 78 1.652 -6.696 -5.287 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.653 -5.549 -5.331 1.00 0.00 C ATOM 1146 CG2 VAL A 78 1.090 -7.874 -4.505 1.00 0.00 C ATOM 0 H VAL A 78 -0.014 -7.069 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 78 2.767 -6.425 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 78 2.549 -6.346 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.391 -5.256 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.097 -4.700 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.245 -5.869 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.822 -7.549 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.204 -8.257 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.841 -8.661 -4.443 1.00 0.00 H new ATOM 1156 N ARG A 79 1.878 -9.529 -7.025 1.00 0.00 N ATOM 1157 CA ARG A 79 2.351 -10.908 -7.016 1.00 0.00 C ATOM 1158 C ARG A 79 3.355 -11.145 -8.141 1.00 0.00 C ATOM 1159 O ARG A 79 3.922 -12.231 -8.264 1.00 0.00 O ATOM 1160 CB ARG A 79 1.175 -11.875 -7.156 1.00 0.00 C ATOM 1161 CG ARG A 79 0.219 -11.512 -8.281 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.956 -10.692 -7.771 1.00 0.00 C ATOM 1163 NE ARG A 79 -2.226 -11.150 -8.329 1.00 0.00 N ATOM 1164 CZ ARG A 79 -3.397 -10.593 -8.042 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.460 -9.563 -7.210 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -4.510 -11.066 -8.590 1.00 0.00 N ATOM 0 H ARG A 79 0.912 -9.417 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 79 2.848 -11.089 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.560 -12.880 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.623 -11.902 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.753 -10.948 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.149 -12.422 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.995 -10.752 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.805 -9.643 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.213 -11.940 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.607 -9.196 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.361 -9.138 -6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.466 -11.858 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.409 -10.638 -8.369 1.00 0.00 H new ATOM 1180 N THR A 80 3.570 -10.121 -8.961 1.00 0.00 N ATOM 1181 CA THR A 80 4.503 -10.217 -10.077 1.00 0.00 C ATOM 1182 C THR A 80 5.517 -9.080 -10.045 1.00 0.00 C ATOM 1183 O THR A 80 6.655 -9.236 -10.492 1.00 0.00 O ATOM 1184 CB THR A 80 3.766 -10.196 -11.429 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.212 -8.897 -11.665 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.658 -11.238 -11.458 1.00 0.00 C ATOM 0 H THR A 80 3.110 -9.215 -8.873 1.00 0.00 H new ATOM 0 HA THR A 80 5.025 -11.168 -9.972 1.00 0.00 H new ATOM 0 HB THR A 80 4.485 -10.432 -12.213 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.931 -8.501 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.152 -11.204 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.086 -12.229 -11.308 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.941 -11.029 -10.664 1.00 0.00 H new ATOM 1194 N LEU A 81 5.100 -7.936 -9.515 1.00 0.00 N ATOM 1195 CA LEU A 81 5.973 -6.770 -9.425 1.00 0.00 C ATOM 1196 C LEU A 81 7.283 -7.125 -8.729 1.00 0.00 C ATOM 1197 O LEU A 81 7.465 -8.249 -8.263 1.00 0.00 O ATOM 1198 CB LEU A 81 5.271 -5.640 -8.670 1.00 0.00 C ATOM 1199 CG LEU A 81 4.467 -4.660 -9.525 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.637 -3.739 -8.644 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.392 -3.851 -10.422 1.00 0.00 C ATOM 0 H LEU A 81 4.162 -7.790 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 81 6.199 -6.436 -10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.601 -6.083 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.023 -5.077 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 81 3.789 -5.232 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.072 -3.049 -9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.947 -4.333 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.296 -3.174 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.802 -3.159 -11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.095 -3.289 -9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.942 -4.524 -11.079 1.00 0.00 H new ATOM 1213 N ARG A 82 8.192 -6.157 -8.661 1.00 0.00 N ATOM 1214 CA ARG A 82 9.485 -6.367 -8.022 1.00 0.00 C ATOM 1215 C ARG A 82 9.433 -5.973 -6.549 1.00 0.00 C ATOM 1216 O ARG A 82 8.722 -5.042 -6.169 1.00 0.00 O ATOM 1217 CB ARG A 82 10.569 -5.560 -8.739 1.00 0.00 C ATOM 1218 CG ARG A 82 10.548 -5.720 -10.250 1.00 0.00 C ATOM 1219 CD ARG A 82 11.491 -6.822 -10.706 1.00 0.00 C ATOM 1220 NE ARG A 82 10.824 -7.788 -11.575 1.00 0.00 N ATOM 1221 CZ ARG A 82 11.302 -9.001 -11.829 1.00 0.00 C ATOM 1222 NH1 ARG A 82 12.445 -9.395 -11.283 1.00 0.00 N ATOM 1223 NH2 ARG A 82 10.638 -9.823 -12.631 1.00 0.00 N ATOM 0 H ARG A 82 8.056 -5.220 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 82 9.728 -7.428 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.448 -4.505 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.546 -5.865 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.534 -5.948 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.832 -4.779 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.335 -6.381 -11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.895 -7.337 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 82 9.943 -7.516 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.959 -8.766 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.810 -10.327 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.759 -9.524 -13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.006 -10.754 -12.825 1.00 0.00 H new ATOM 1237 N VAL A 83 10.190 -6.688 -5.723 1.00 0.00 N ATOM 1238 CA VAL A 83 10.231 -6.413 -4.292 1.00 0.00 C ATOM 1239 C VAL A 83 10.513 -4.939 -4.023 1.00 0.00 C ATOM 1240 O VAL A 83 9.942 -4.344 -3.110 1.00 0.00 O ATOM 1241 CB VAL A 83 11.303 -7.266 -3.587 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.268 -7.032 -2.084 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.107 -8.739 -3.909 1.00 0.00 C ATOM 0 H VAL A 83 10.783 -7.462 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 83 9.250 -6.671 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 83 12.283 -6.964 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.032 -7.643 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.460 -5.980 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.287 -7.306 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.873 -9.327 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.121 -9.058 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.186 -8.890 -4.986 1.00 0.00 H new ATOM 1253 N GLU A 84 11.398 -4.355 -4.826 1.00 0.00 N ATOM 1254 CA GLU A 84 11.755 -2.950 -4.674 1.00 0.00 C ATOM 1255 C GLU A 84 10.662 -2.046 -5.236 1.00 0.00 C ATOM 1256 O GLU A 84 10.458 -0.930 -4.759 1.00 0.00 O ATOM 1257 CB GLU A 84 13.083 -2.660 -5.376 1.00 0.00 C ATOM 1258 CG GLU A 84 13.073 -2.990 -6.859 1.00 0.00 C ATOM 1259 CD GLU A 84 13.701 -4.337 -7.161 1.00 0.00 C ATOM 1260 OE1 GLU A 84 13.412 -5.305 -6.426 1.00 0.00 O ATOM 1261 OE2 GLU A 84 14.481 -4.423 -8.132 1.00 0.00 O ATOM 0 H GLU A 84 11.880 -4.833 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 84 11.862 -2.742 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.329 -1.606 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.873 -3.232 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.045 -2.983 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.609 -2.213 -7.404 1.00 0.00 H new ATOM 1268 N GLU A 85 9.962 -2.537 -6.254 1.00 0.00 N ATOM 1269 CA GLU A 85 8.891 -1.773 -6.883 1.00 0.00 C ATOM 1270 C GLU A 85 7.750 -1.526 -5.900 1.00 0.00 C ATOM 1271 O GLU A 85 7.302 -0.393 -5.724 1.00 0.00 O ATOM 1272 CB GLU A 85 8.365 -2.511 -8.117 1.00 0.00 C ATOM 1273 CG GLU A 85 9.062 -2.113 -9.407 1.00 0.00 C ATOM 1274 CD GLU A 85 8.855 -0.652 -9.756 1.00 0.00 C ATOM 1275 OE1 GLU A 85 9.614 0.194 -9.238 1.00 0.00 O ATOM 1276 OE2 GLU A 85 7.935 -0.355 -10.546 1.00 0.00 O ATOM 0 H GLU A 85 10.117 -3.460 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 85 9.298 -0.810 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.483 -3.584 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.297 -2.319 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.130 -2.313 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.691 -2.734 -10.223 1.00 0.00 H new ATOM 1283 N VAL A 86 7.284 -2.595 -5.262 1.00 0.00 N ATOM 1284 CA VAL A 86 6.196 -2.495 -4.297 1.00 0.00 C ATOM 1285 C VAL A 86 6.522 -1.482 -3.205 1.00 0.00 C ATOM 1286 O VAL A 86 5.659 -0.714 -2.780 1.00 0.00 O ATOM 1287 CB VAL A 86 5.897 -3.858 -3.644 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.553 -3.826 -2.933 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.933 -4.966 -4.686 1.00 0.00 C ATOM 0 H VAL A 86 7.643 -3.540 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 86 5.315 -2.163 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 86 6.668 -4.063 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.359 -4.797 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.569 -3.059 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.766 -3.599 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.720 -5.922 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.184 -4.769 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.921 -5.002 -5.145 1.00 0.00 H new ATOM 1299 N GLU A 87 7.773 -1.485 -2.756 1.00 0.00 N ATOM 1300 CA GLU A 87 8.212 -0.566 -1.713 1.00 0.00 C ATOM 1301 C GLU A 87 8.319 0.858 -2.252 1.00 0.00 C ATOM 1302 O GLU A 87 7.803 1.801 -1.652 1.00 0.00 O ATOM 1303 CB GLU A 87 9.562 -1.011 -1.145 1.00 0.00 C ATOM 1304 CG GLU A 87 9.457 -2.158 -0.155 1.00 0.00 C ATOM 1305 CD GLU A 87 9.398 -1.684 1.284 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.464 -1.349 1.843 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.286 -1.647 1.851 1.00 0.00 O ATOM 0 H GLU A 87 8.500 -2.113 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 87 7.468 -0.580 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.212 -1.310 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.038 -0.162 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.565 -2.744 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.313 -2.821 -0.280 1.00 0.00 H new ATOM 1314 N ASP A 88 8.993 1.005 -3.387 1.00 0.00 N ATOM 1315 CA ASP A 88 9.168 2.313 -4.008 1.00 0.00 C ATOM 1316 C ASP A 88 7.822 2.995 -4.228 1.00 0.00 C ATOM 1317 O ASP A 88 7.611 4.128 -3.796 1.00 0.00 O ATOM 1318 CB ASP A 88 9.907 2.174 -5.340 1.00 0.00 C ATOM 1319 CG ASP A 88 11.225 2.922 -5.352 1.00 0.00 C ATOM 1320 OD1 ASP A 88 12.163 2.483 -4.655 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.319 3.948 -6.059 1.00 0.00 O ATOM 0 H ASP A 88 9.427 0.235 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 88 9.762 2.931 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.090 1.119 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.273 2.548 -6.144 1.00 0.00 H new ATOM 1326 N ALA A 89 6.914 2.297 -4.903 1.00 0.00 N ATOM 1327 CA ALA A 89 5.588 2.835 -5.180 1.00 0.00 C ATOM 1328 C ALA A 89 5.091 3.693 -4.021 1.00 0.00 C ATOM 1329 O ALA A 89 4.710 4.849 -4.212 1.00 0.00 O ATOM 1330 CB ALA A 89 4.608 1.705 -5.459 1.00 0.00 C ATOM 0 H ALA A 89 7.073 1.358 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 89 5.657 3.469 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.622 2.121 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.948 1.134 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.552 1.049 -4.590 1.00 0.00 H new ATOM 1336 N ILE A 90 5.098 3.122 -2.822 1.00 0.00 N ATOM 1337 CA ILE A 90 4.648 3.836 -1.633 1.00 0.00 C ATOM 1338 C ILE A 90 5.425 5.135 -1.446 1.00 0.00 C ATOM 1339 O ILE A 90 4.840 6.193 -1.209 1.00 0.00 O ATOM 1340 CB ILE A 90 4.801 2.974 -0.367 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.533 1.502 -0.690 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.858 3.462 0.723 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.410 1.296 -1.683 1.00 0.00 C ATOM 0 H ILE A 90 5.410 2.167 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 90 3.593 4.064 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 90 5.825 3.067 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.444 1.054 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.293 0.974 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.978 2.843 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.091 4.498 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.829 3.395 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.276 0.230 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.487 1.714 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.657 1.795 -2.620 1.00 0.00 H new ATOM 1355 N LYS A 91 6.746 5.050 -1.557 1.00 0.00 N ATOM 1356 CA LYS A 91 7.604 6.218 -1.403 1.00 0.00 C ATOM 1357 C LYS A 91 7.349 7.231 -2.515 1.00 0.00 C ATOM 1358 O LYS A 91 7.551 8.431 -2.331 1.00 0.00 O ATOM 1359 CB LYS A 91 9.076 5.800 -1.408 1.00 0.00 C ATOM 1360 CG LYS A 91 9.440 4.840 -0.288 1.00 0.00 C ATOM 1361 CD LYS A 91 10.698 4.054 -0.614 1.00 0.00 C ATOM 1362 CE LYS A 91 10.591 2.611 -0.146 1.00 0.00 C ATOM 1363 NZ LYS A 91 11.918 2.047 0.224 1.00 0.00 N ATOM 0 H LYS A 91 7.246 4.183 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 91 7.369 6.686 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.309 5.333 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.698 6.691 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.588 5.398 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.614 4.150 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.874 4.077 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.558 4.528 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.921 2.557 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.147 2.005 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.801 1.062 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.550 2.075 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.331 2.609 0.995 1.00 0.00 H new ATOM 1377 N GLN A 92 6.904 6.739 -3.667 1.00 0.00 N ATOM 1378 CA GLN A 92 6.620 7.602 -4.807 1.00 0.00 C ATOM 1379 C GLN A 92 5.353 8.417 -4.572 1.00 0.00 C ATOM 1380 O GLN A 92 4.346 8.231 -5.256 1.00 0.00 O ATOM 1381 CB GLN A 92 6.476 6.768 -6.081 1.00 0.00 C ATOM 1382 CG GLN A 92 7.786 6.174 -6.572 1.00 0.00 C ATOM 1383 CD GLN A 92 8.276 6.819 -7.853 1.00 0.00 C ATOM 1384 OE1 GLN A 92 7.594 7.662 -8.438 1.00 0.00 O ATOM 1385 NE2 GLN A 92 9.465 6.427 -8.297 1.00 0.00 N ATOM 0 H GLN A 92 6.733 5.748 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 92 7.456 8.292 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.767 5.961 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.053 7.392 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.545 6.289 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.657 5.104 -6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.996 5.726 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.847 6.827 -9.154 1.00 0.00 H new ATOM 1394 N THR A 93 5.408 9.320 -3.598 1.00 0.00 N ATOM 1395 CA THR A 93 4.264 10.162 -3.271 1.00 0.00 C ATOM 1396 C THR A 93 4.260 11.434 -4.111 1.00 0.00 C ATOM 1397 O THR A 93 4.445 12.534 -3.590 1.00 0.00 O ATOM 1398 CB THR A 93 4.257 10.546 -1.779 1.00 0.00 C ATOM 1399 OG1 THR A 93 5.335 11.446 -1.499 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.382 9.309 -0.902 1.00 0.00 C ATOM 0 H THR A 93 6.233 9.487 -3.022 1.00 0.00 H new ATOM 0 HA THR A 93 3.370 9.580 -3.493 1.00 0.00 H new ATOM 0 HB THR A 93 3.309 11.036 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.206 12.277 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.375 9.605 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.544 8.639 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.317 8.796 -1.128 1.00 0.00 H new ATOM 1408 N SER A 94 4.047 11.277 -5.413 1.00 0.00 N ATOM 1409 CA SER A 94 4.021 12.414 -6.326 1.00 0.00 C ATOM 1410 C SER A 94 2.600 12.695 -6.804 1.00 0.00 C ATOM 1411 O SER A 94 2.106 13.816 -6.688 1.00 0.00 O ATOM 1412 CB SER A 94 4.933 12.151 -7.527 1.00 0.00 C ATOM 1413 OG SER A 94 4.368 12.669 -8.719 1.00 0.00 O ATOM 0 H SER A 94 3.890 10.374 -5.860 1.00 0.00 H new ATOM 0 HA SER A 94 4.384 13.289 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.908 12.607 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.098 11.079 -7.635 1.00 0.00 H new ATOM 0 HG SER A 94 4.970 12.490 -9.471 1.00 0.00 H new ATOM 1419 N GLN A 95 1.949 11.668 -7.342 1.00 0.00 N ATOM 1420 CA GLN A 95 0.585 11.804 -7.839 1.00 0.00 C ATOM 1421 C GLN A 95 -0.386 10.985 -6.995 1.00 0.00 C ATOM 1422 O GLN A 95 -0.108 10.673 -5.836 1.00 0.00 O ATOM 1423 CB GLN A 95 0.506 11.363 -9.301 1.00 0.00 C ATOM 1424 CG GLN A 95 1.765 11.666 -10.097 1.00 0.00 C ATOM 1425 CD GLN A 95 1.528 11.645 -11.595 1.00 0.00 C ATOM 1426 OE1 GLN A 95 2.160 10.881 -12.324 1.00 0.00 O ATOM 1427 NE2 GLN A 95 0.613 12.487 -12.061 1.00 0.00 N ATOM 0 H GLN A 95 2.344 10.733 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 95 0.302 12.854 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.312 10.291 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.342 11.857 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.147 12.645 -9.807 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.534 10.936 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.113 13.103 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.410 12.518 -13.060 1.00 0.00 H new ATOM 1436 N THR A 96 -1.527 10.639 -7.582 1.00 0.00 N ATOM 1437 CA THR A 96 -2.540 9.858 -6.884 1.00 0.00 C ATOM 1438 C THR A 96 -2.117 8.399 -6.756 1.00 0.00 C ATOM 1439 O THR A 96 -1.725 7.767 -7.738 1.00 0.00 O ATOM 1440 CB THR A 96 -3.899 9.926 -7.607 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.788 10.735 -8.783 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.971 10.496 -6.692 1.00 0.00 C ATOM 0 H THR A 96 -1.773 10.888 -8.540 1.00 0.00 H new ATOM 0 HA THR A 96 -2.644 10.292 -5.889 1.00 0.00 H new ATOM 0 HB THR A 96 -4.187 8.913 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.655 10.772 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.921 10.534 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.073 9.861 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.688 11.502 -6.383 1.00 0.00 H new ATOM 1450 N LEU A 97 -2.201 7.868 -5.541 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.827 6.482 -5.285 1.00 0.00 C ATOM 1452 C LEU A 97 -3.064 5.617 -5.063 1.00 0.00 C ATOM 1453 O LEU A 97 -3.800 5.807 -4.095 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.907 6.398 -4.066 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.714 5.005 -3.465 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.140 4.051 -4.501 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.188 5.072 -2.241 1.00 0.00 C ATOM 0 H LEU A 97 -2.525 8.376 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.296 6.107 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.071 6.789 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.303 7.054 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.688 4.627 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.010 3.065 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.823 3.979 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.825 4.424 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.314 4.072 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.161 5.471 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.264 5.721 -1.491 1.00 0.00 H new ATOM 1469 N GLN A 98 -3.284 4.666 -5.964 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.432 3.771 -5.866 1.00 0.00 C ATOM 1471 C GLN A 98 -4.071 2.507 -5.092 1.00 0.00 C ATOM 1472 O GLN A 98 -2.927 2.051 -5.127 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.939 3.402 -7.261 1.00 0.00 C ATOM 1474 CG GLN A 98 -6.408 3.010 -7.290 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.701 1.920 -8.301 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -5.996 0.912 -8.366 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.746 2.115 -9.097 1.00 0.00 N ATOM 0 H GLN A 98 -2.683 4.495 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.223 4.293 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.784 4.248 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.343 2.576 -7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.709 2.671 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.010 3.888 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.303 2.965 -9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.992 1.415 -9.797 1.00 0.00 H new ATOM 1486 N LEU A 99 -5.052 1.946 -4.395 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.838 0.733 -3.612 1.00 0.00 C ATOM 1488 C LEU A 99 -6.064 -0.173 -3.666 1.00 0.00 C ATOM 1489 O LEU A 99 -7.200 0.302 -3.683 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.518 1.091 -2.160 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.052 1.400 -1.853 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -2.922 2.076 -0.497 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -2.217 0.129 -1.900 1.00 0.00 C ATOM 0 H LEU A 99 -6.004 2.311 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.993 0.196 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.118 1.957 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.835 0.264 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.678 2.084 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.872 2.288 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.487 3.008 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.314 1.417 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.177 0.369 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.591 -0.580 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.284 -0.314 -2.894 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.826 -1.480 -3.691 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.911 -2.454 -3.741 1.00 0.00 C ATOM 1507 C LEU A 100 -6.904 -3.340 -2.499 1.00 0.00 C ATOM 1508 O LEU A 100 -5.974 -4.117 -2.284 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.791 -3.317 -4.998 1.00 0.00 C ATOM 1510 CG LEU A 100 -8.001 -4.190 -5.331 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -9.071 -3.373 -6.038 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.583 -5.378 -6.186 1.00 0.00 C ATOM 0 H LEU A 100 -4.892 -1.889 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.855 -1.909 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.596 -2.662 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.921 -3.964 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.419 -4.568 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.924 -4.011 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.392 -2.556 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.665 -2.965 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.457 -5.988 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.139 -5.020 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.853 -5.978 -5.643 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.949 -3.218 -1.687 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.064 -4.011 -0.469 1.00 0.00 C ATOM 1526 C ILE A 101 -9.096 -5.121 -0.631 1.00 0.00 C ATOM 1527 O ILE A 101 -10.145 -4.922 -1.243 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.454 -3.135 0.737 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.655 -1.830 0.727 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.225 -3.893 2.037 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.182 -2.021 1.013 1.00 0.00 C ATOM 0 H ILE A 101 -8.727 -2.579 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.085 -4.453 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.514 -2.890 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.769 -1.351 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.076 -1.150 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.505 -3.262 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.834 -4.797 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.172 -4.164 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.679 -1.055 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.058 -2.471 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.747 -2.675 0.258 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.791 -6.291 -0.077 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.694 -7.433 -0.160 1.00 0.00 C ATOM 1545 C GLU A 102 -10.541 -7.551 1.104 1.00 0.00 C ATOM 1546 O GLU A 102 -10.013 -7.590 2.216 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.901 -8.723 -0.378 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.750 -9.981 -0.298 1.00 0.00 C ATOM 1549 CD GLU A 102 -9.562 -10.730 1.007 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -8.442 -11.225 1.251 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -10.535 -10.820 1.784 1.00 0.00 O ATOM 0 H GLU A 102 -7.927 -6.472 0.433 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.360 -7.276 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.418 -8.682 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.108 -8.782 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.801 -9.713 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.497 -10.639 -1.130 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.857 -7.605 0.925 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.777 -7.718 2.051 1.00 0.00 C ATOM 1560 C HIS A 103 -13.491 -9.067 2.036 1.00 0.00 C ATOM 1561 O HIS A 103 -14.030 -9.483 1.011 1.00 0.00 O ATOM 1562 CB HIS A 103 -13.803 -6.585 2.014 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.239 -6.127 3.372 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -15.538 -6.237 3.821 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -13.540 -5.558 4.381 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -15.619 -5.752 5.048 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -14.420 -5.334 5.411 1.00 0.00 N ATOM 0 H HIS A 103 -12.310 -7.572 0.012 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.197 -7.643 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.379 -5.739 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.677 -6.916 1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.486 -5.324 4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.514 -5.705 5.651 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -14.186 -4.913 6.310 1.00 0.00 H new