USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 70 LYS NZ :NH3+ 165:sc= -0.724 (180deg=-1.17) USER MOD Set 1.2: A 102 ASN : amide:sc= -1.73! K(o=-2.5!,f=-4.1) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -1.27 USER MOD Single : A 20 GLN : amide:sc= -8.5! C(o=-8.5!,f=-9.9!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 150:sc= 1.18 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.807 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 119:sc= 0.0202 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.945 (180deg=-2.26) USER MOD Single : A 41 GLN : amide:sc= -0.0991 K(o=-0.099,f=-1.2) USER MOD Single : A 45 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HE2:sc= -0.367 F(o=-2!,f=-0.37) USER MOD Single : A 49 MET CE :methyl 165:sc= -0.508 (180deg=-0.821) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -36:sc= 0.139 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -132:sc= -1.26 (180deg=-2.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00872) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -41:sc= 0.0407 USER MOD Single : A 87 MET CE :methyl -119:sc= -2.46! (180deg=-6.9!) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= -0.484 (180deg=-0.574) USER MOD Single : A 91 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.9) USER MOD Single : A 92 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.82) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.0285 (180deg=-0.227) USER MOD Single : A 101 ASN : amide:sc= -0.0405 K(o=-0.041,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.536 1.669 7.933 1.00 0.00 N ATOM 229 CA LEU A 12 13.412 2.123 7.122 1.00 0.00 C ATOM 230 C LEU A 12 13.204 3.627 7.273 1.00 0.00 C ATOM 231 O LEU A 12 13.553 4.227 8.290 1.00 0.00 O ATOM 232 CB LEU A 12 12.137 1.378 7.519 1.00 0.00 C ATOM 233 CG LEU A 12 12.132 -0.130 7.263 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.065 -0.812 8.104 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.914 -0.418 5.785 1.00 0.00 C ATOM 0 HA LEU A 12 13.640 1.909 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.958 1.546 8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.299 1.820 6.980 1.00 0.00 H new ATOM 0 HG LEU A 12 13.103 -0.531 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.077 -1.884 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.266 -0.634 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.086 -0.407 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.913 -1.496 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.957 -0.002 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.716 0.037 5.203 1.00 0.00 H new ATOM 247 N PRO A 13 12.620 4.250 6.240 1.00 0.00 N ATOM 248 CA PRO A 13 12.349 5.691 6.235 1.00 0.00 C ATOM 249 C PRO A 13 11.248 6.078 7.217 1.00 0.00 C ATOM 250 O PRO A 13 10.749 5.238 7.966 1.00 0.00 O ATOM 251 CB PRO A 13 11.902 5.964 4.797 1.00 0.00 C ATOM 252 CG PRO A 13 11.363 4.661 4.315 1.00 0.00 C ATOM 253 CD PRO A 13 12.178 3.597 4.996 1.00 0.00 C ATOM 0 HA PRO A 13 13.220 6.270 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.142 6.745 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.735 6.300 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.306 4.561 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.446 4.582 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.585 2.705 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.024 3.285 4.383 1.00 0.00 H new ATOM 261 N ALA A 14 10.875 7.353 7.208 1.00 0.00 N ATOM 262 CA ALA A 14 9.831 7.849 8.096 1.00 0.00 C ATOM 263 C ALA A 14 8.459 7.761 7.435 1.00 0.00 C ATOM 264 O ALA A 14 8.346 7.401 6.263 1.00 0.00 O ATOM 265 CB ALA A 14 10.128 9.283 8.510 1.00 0.00 C ATOM 0 H ALA A 14 11.280 8.061 6.596 1.00 0.00 H new ATOM 0 HA ALA A 14 9.817 7.220 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.340 9.641 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.085 9.321 9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.172 9.916 7.624 1.00 0.00 H new ATOM 271 N LEU A 15 7.420 8.090 8.194 1.00 0.00 N ATOM 272 CA LEU A 15 6.055 8.048 7.682 1.00 0.00 C ATOM 273 C LEU A 15 5.851 9.091 6.589 1.00 0.00 C ATOM 274 O LEU A 15 6.429 10.177 6.637 1.00 0.00 O ATOM 275 CB LEU A 15 5.056 8.279 8.817 1.00 0.00 C ATOM 276 CG LEU A 15 3.611 7.866 8.534 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.555 6.434 8.029 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.756 8.028 9.783 1.00 0.00 C ATOM 0 H LEU A 15 7.497 8.389 9.166 1.00 0.00 H new ATOM 0 HA LEU A 15 5.885 7.061 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.403 7.735 9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.066 9.338 9.073 1.00 0.00 H new ATOM 0 HG LEU A 15 3.212 8.519 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.519 6.158 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.133 6.350 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.972 5.766 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.731 7.730 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.154 7.400 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.770 9.070 10.101 1.00 0.00 H new ATOM 290 N TYR A 16 5.024 8.755 5.604 1.00 0.00 N ATOM 291 CA TYR A 16 4.743 9.663 4.499 1.00 0.00 C ATOM 292 C TYR A 16 6.019 9.998 3.732 1.00 0.00 C ATOM 293 O TYR A 16 6.121 11.053 3.104 1.00 0.00 O ATOM 294 CB TYR A 16 4.095 10.947 5.017 1.00 0.00 C ATOM 295 CG TYR A 16 2.696 10.744 5.557 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.781 9.944 4.886 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.291 11.354 6.738 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.502 9.755 5.374 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.015 11.170 7.235 1.00 0.00 C ATOM 300 CZ TYR A 16 0.125 10.369 6.550 1.00 0.00 C ATOM 301 OH TYR A 16 -1.148 10.186 7.041 1.00 0.00 O ATOM 0 H TYR A 16 4.537 7.860 5.549 1.00 0.00 H new ATOM 0 HA TYR A 16 4.052 9.164 3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.721 11.369 5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.061 11.678 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.074 9.461 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.985 11.982 7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.198 9.131 4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.716 11.651 8.155 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.251 10.686 7.877 1.00 0.00 H new ATOM 311 N THR A 17 6.990 9.092 3.787 1.00 0.00 N ATOM 312 CA THR A 17 8.259 9.290 3.100 1.00 0.00 C ATOM 313 C THR A 17 8.213 8.723 1.685 1.00 0.00 C ATOM 314 O THR A 17 7.661 7.646 1.457 1.00 0.00 O ATOM 315 CB THR A 17 9.423 8.633 3.867 1.00 0.00 C ATOM 316 OG1 THR A 17 9.557 9.234 5.160 1.00 0.00 O ATOM 317 CG2 THR A 17 10.728 8.776 3.097 1.00 0.00 C ATOM 0 H THR A 17 6.921 8.214 4.301 1.00 0.00 H new ATOM 0 HA THR A 17 8.427 10.366 3.052 1.00 0.00 H new ATOM 0 HB THR A 17 9.202 7.572 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.492 9.488 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.535 8.305 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.632 8.293 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.953 9.833 2.956 1.00 0.00 H new ATOM 325 N ILE A 18 8.796 9.452 0.740 1.00 0.00 N ATOM 326 CA ILE A 18 8.822 9.019 -0.651 1.00 0.00 C ATOM 327 C ILE A 18 10.209 8.520 -1.046 1.00 0.00 C ATOM 328 O ILE A 18 11.213 9.190 -0.804 1.00 0.00 O ATOM 329 CB ILE A 18 8.408 10.157 -1.603 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.922 10.479 -1.432 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.711 9.777 -3.045 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.467 11.674 -2.240 1.00 0.00 C ATOM 0 H ILE A 18 9.257 10.345 0.912 1.00 0.00 H new ATOM 0 HA ILE A 18 8.105 8.203 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 18 8.984 11.048 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.334 9.609 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.717 10.664 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.413 10.591 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.780 9.592 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.158 8.875 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.404 11.844 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.029 12.556 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.640 11.484 -3.299 1.00 0.00 H new ATOM 344 N PHE A 19 10.255 7.340 -1.656 1.00 0.00 N ATOM 345 CA PHE A 19 11.518 6.751 -2.084 1.00 0.00 C ATOM 346 C PHE A 19 11.313 5.850 -3.299 1.00 0.00 C ATOM 347 O PHE A 19 10.191 5.442 -3.599 1.00 0.00 O ATOM 348 CB PHE A 19 12.147 5.951 -0.942 1.00 0.00 C ATOM 349 CG PHE A 19 11.200 4.980 -0.298 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.911 3.768 -0.904 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.597 5.279 0.913 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.040 2.871 -0.315 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.725 4.386 1.509 1.00 0.00 C ATOM 354 CZ PHE A 19 9.446 3.182 0.893 1.00 0.00 C ATOM 0 H PHE A 19 9.433 6.774 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 19 12.191 7.561 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.010 5.406 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.516 6.643 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.372 3.521 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.810 6.220 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.824 1.929 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.263 4.630 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.764 2.484 1.355 1.00 0.00 H new ATOM 364 N GLN A 20 12.405 5.544 -3.992 1.00 0.00 N ATOM 365 CA GLN A 20 12.345 4.692 -5.173 1.00 0.00 C ATOM 366 C GLN A 20 12.765 3.265 -4.839 1.00 0.00 C ATOM 367 O GLN A 20 13.821 3.040 -4.248 1.00 0.00 O ATOM 368 CB GLN A 20 13.241 5.253 -6.279 1.00 0.00 C ATOM 369 CG GLN A 20 12.741 4.947 -7.681 1.00 0.00 C ATOM 370 CD GLN A 20 13.491 5.718 -8.750 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.527 6.326 -8.480 1.00 0.00 O ATOM 372 NE2 GLN A 20 12.969 5.697 -9.971 1.00 0.00 N ATOM 0 H GLN A 20 13.341 5.873 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 20 11.313 4.675 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.320 6.333 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.245 4.845 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.840 3.879 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.679 5.185 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.108 5.180 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.429 6.198 -10.731 1.00 0.00 H new ATOM 381 N GLY A 21 11.931 2.302 -5.219 1.00 0.00 N ATOM 382 CA GLY A 21 12.233 0.908 -4.950 1.00 0.00 C ATOM 383 C GLY A 21 11.920 0.008 -6.128 1.00 0.00 C ATOM 384 O GLY A 21 11.106 0.356 -6.983 1.00 0.00 O ATOM 0 H GLY A 21 11.051 2.462 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.288 0.811 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.662 0.577 -4.082 1.00 0.00 H new ATOM 388 N GLU A 22 12.568 -1.151 -6.174 1.00 0.00 N ATOM 389 CA GLU A 22 12.355 -2.103 -7.259 1.00 0.00 C ATOM 390 C GLU A 22 11.412 -3.222 -6.824 1.00 0.00 C ATOM 391 O GLU A 22 11.419 -3.640 -5.666 1.00 0.00 O ATOM 392 CB GLU A 22 13.689 -2.695 -7.717 1.00 0.00 C ATOM 393 CG GLU A 22 13.538 -3.858 -8.684 1.00 0.00 C ATOM 394 CD GLU A 22 14.835 -4.618 -8.888 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.095 -5.563 -8.114 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.588 -4.267 -9.819 1.00 0.00 O ATOM 0 H GLU A 22 13.245 -1.454 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 22 11.898 -1.569 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.280 -1.912 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.248 -3.030 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.776 -4.541 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.185 -3.483 -9.645 1.00 0.00 H new ATOM 403 N VAL A 23 10.600 -3.701 -7.762 1.00 0.00 N ATOM 404 CA VAL A 23 9.652 -4.771 -7.477 1.00 0.00 C ATOM 405 C VAL A 23 10.366 -6.107 -7.308 1.00 0.00 C ATOM 406 O VAL A 23 11.113 -6.538 -8.185 1.00 0.00 O ATOM 407 CB VAL A 23 8.601 -4.900 -8.595 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.855 -6.222 -8.476 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.633 -3.728 -8.554 1.00 0.00 C ATOM 0 H VAL A 23 10.580 -3.365 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 23 9.150 -4.511 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 23 9.115 -4.884 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.116 -6.296 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.562 -7.047 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.352 -6.270 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.897 -3.836 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.124 -3.710 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.183 -2.797 -8.691 1.00 0.00 H new ATOM 419 N ALA A 24 10.130 -6.759 -6.174 1.00 0.00 N ATOM 420 CA ALA A 24 10.748 -8.048 -5.890 1.00 0.00 C ATOM 421 C ALA A 24 9.723 -9.175 -5.958 1.00 0.00 C ATOM 422 O ALA A 24 10.072 -10.329 -6.204 1.00 0.00 O ATOM 423 CB ALA A 24 11.417 -8.023 -4.524 1.00 0.00 C ATOM 0 H ALA A 24 9.515 -6.415 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 24 11.506 -8.235 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.874 -8.992 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.185 -7.249 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.672 -7.809 -3.758 1.00 0.00 H new ATOM 429 N MET A 25 8.458 -8.832 -5.741 1.00 0.00 N ATOM 430 CA MET A 25 7.383 -9.817 -5.778 1.00 0.00 C ATOM 431 C MET A 25 6.086 -9.187 -6.278 1.00 0.00 C ATOM 432 O MET A 25 5.741 -8.068 -5.899 1.00 0.00 O ATOM 433 CB MET A 25 7.167 -10.422 -4.390 1.00 0.00 C ATOM 434 CG MET A 25 6.310 -11.677 -4.400 1.00 0.00 C ATOM 435 SD MET A 25 6.648 -12.761 -2.999 1.00 0.00 S ATOM 436 CE MET A 25 4.991 -13.290 -2.573 1.00 0.00 C ATOM 0 H MET A 25 8.152 -7.880 -5.538 1.00 0.00 H new ATOM 0 HA MET A 25 7.673 -10.608 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.136 -10.658 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.698 -9.677 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.258 -11.394 -4.389 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.484 -12.223 -5.327 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.033 -13.968 -1.721 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.386 -12.420 -2.315 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.543 -13.804 -3.424 1.00 0.00 H new ATOM 446 N VAL A 26 5.371 -9.913 -7.131 1.00 0.00 N ATOM 447 CA VAL A 26 4.112 -9.425 -7.682 1.00 0.00 C ATOM 448 C VAL A 26 2.961 -10.365 -7.339 1.00 0.00 C ATOM 449 O VAL A 26 3.006 -11.557 -7.643 1.00 0.00 O ATOM 450 CB VAL A 26 4.193 -9.267 -9.212 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.878 -8.738 -9.764 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.347 -8.352 -9.592 1.00 0.00 C ATOM 0 H VAL A 26 5.642 -10.841 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 26 3.927 -8.449 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 26 4.376 -10.247 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.954 -8.633 -10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.075 -9.435 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.661 -7.767 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.390 -8.251 -10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.197 -7.371 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.283 -8.777 -9.230 1.00 0.00 H new ATOM 462 N THR A 27 1.929 -9.820 -6.703 1.00 0.00 N ATOM 463 CA THR A 27 0.765 -10.609 -6.317 1.00 0.00 C ATOM 464 C THR A 27 -0.521 -9.984 -6.844 1.00 0.00 C ATOM 465 O THR A 27 -0.556 -8.799 -7.178 1.00 0.00 O ATOM 466 CB THR A 27 0.666 -10.750 -4.787 1.00 0.00 C ATOM 467 OG1 THR A 27 0.598 -9.457 -4.178 1.00 0.00 O ATOM 468 CG2 THR A 27 1.860 -11.514 -4.234 1.00 0.00 C ATOM 0 H THR A 27 1.875 -8.835 -6.444 1.00 0.00 H new ATOM 0 HA THR A 27 0.892 -11.598 -6.758 1.00 0.00 H new ATOM 0 HB THR A 27 -0.241 -11.308 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.079 -9.513 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.767 -11.600 -3.151 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.891 -12.510 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.778 -10.980 -4.478 1.00 0.00 H new ATOM 476 N ASP A 28 -1.577 -10.787 -6.915 1.00 0.00 N ATOM 477 CA ASP A 28 -2.868 -10.312 -7.399 1.00 0.00 C ATOM 478 C ASP A 28 -3.531 -9.400 -6.373 1.00 0.00 C ATOM 479 O ASP A 28 -4.646 -8.919 -6.582 1.00 0.00 O ATOM 480 CB ASP A 28 -3.784 -11.495 -7.716 1.00 0.00 C ATOM 481 CG ASP A 28 -3.390 -12.204 -8.997 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.336 -12.875 -9.004 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.137 -12.092 -9.991 1.00 0.00 O ATOM 0 H ASP A 28 -1.564 -11.770 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.698 -9.739 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.757 -12.204 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.812 -11.143 -7.800 1.00 0.00 H new ATOM 488 N TYR A 29 -2.839 -9.165 -5.262 1.00 0.00 N ATOM 489 CA TYR A 29 -3.363 -8.314 -4.202 1.00 0.00 C ATOM 490 C TYR A 29 -2.387 -7.189 -3.875 1.00 0.00 C ATOM 491 O TYR A 29 -2.599 -6.418 -2.939 1.00 0.00 O ATOM 492 CB TYR A 29 -3.643 -9.141 -2.945 1.00 0.00 C ATOM 493 CG TYR A 29 -2.480 -10.009 -2.521 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.403 -9.471 -1.825 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.456 -11.367 -2.814 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.338 -10.260 -1.437 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.397 -12.164 -2.427 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.339 -11.605 -1.739 1.00 0.00 C ATOM 499 OH TYR A 29 0.719 -12.395 -1.351 1.00 0.00 O ATOM 0 H TYR A 29 -1.914 -9.552 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.295 -7.873 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.901 -8.468 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.512 -9.774 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.399 -8.418 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.281 -11.807 -3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.492 -9.825 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.396 -13.218 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 29 0.562 -13.318 -1.641 1.00 0.00 H new ATOM 509 N GLY A 30 -1.314 -7.098 -4.656 1.00 0.00 N ATOM 510 CA GLY A 30 -0.320 -6.065 -4.436 1.00 0.00 C ATOM 511 C GLY A 30 1.056 -6.469 -4.925 1.00 0.00 C ATOM 512 O GLY A 30 1.207 -7.487 -5.600 1.00 0.00 O ATOM 0 H GLY A 30 -1.116 -7.723 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.630 -5.153 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.270 -5.834 -3.372 1.00 0.00 H new ATOM 516 N ALA A 31 2.061 -5.669 -4.587 1.00 0.00 N ATOM 517 CA ALA A 31 3.432 -5.949 -4.997 1.00 0.00 C ATOM 518 C ALA A 31 4.426 -5.505 -3.929 1.00 0.00 C ATOM 519 O ALA A 31 4.199 -4.520 -3.227 1.00 0.00 O ATOM 520 CB ALA A 31 3.737 -5.265 -6.321 1.00 0.00 C ATOM 0 H ALA A 31 1.952 -4.821 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 31 3.534 -7.027 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.764 -5.483 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.054 -5.634 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.612 -4.188 -6.211 1.00 0.00 H new ATOM 526 N PHE A 32 5.528 -6.239 -3.811 1.00 0.00 N ATOM 527 CA PHE A 32 6.556 -5.922 -2.827 1.00 0.00 C ATOM 528 C PHE A 32 7.637 -5.034 -3.437 1.00 0.00 C ATOM 529 O PHE A 32 8.116 -5.292 -4.542 1.00 0.00 O ATOM 530 CB PHE A 32 7.183 -7.206 -2.280 1.00 0.00 C ATOM 531 CG PHE A 32 6.238 -8.028 -1.451 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.110 -8.597 -2.021 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.478 -8.233 -0.102 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.238 -9.354 -1.261 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.610 -8.990 0.663 1.00 0.00 C ATOM 536 CZ PHE A 32 4.489 -9.550 0.083 1.00 0.00 C ATOM 0 H PHE A 32 5.732 -7.057 -4.385 1.00 0.00 H new ATOM 0 HA PHE A 32 6.084 -5.380 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.542 -7.810 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.053 -6.948 -1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.910 -8.447 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.353 -7.797 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.362 -9.791 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.809 -9.143 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.809 -10.140 0.679 1.00 0.00 H new ATOM 546 N ILE A 33 8.017 -3.989 -2.710 1.00 0.00 N ATOM 547 CA ILE A 33 9.041 -3.064 -3.179 1.00 0.00 C ATOM 548 C ILE A 33 10.222 -3.017 -2.215 1.00 0.00 C ATOM 549 O ILE A 33 10.048 -2.821 -1.011 1.00 0.00 O ATOM 550 CB ILE A 33 8.477 -1.642 -3.353 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.217 -1.671 -4.220 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.528 -0.728 -3.968 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.494 -1.953 -5.680 1.00 0.00 C ATOM 0 H ILE A 33 7.631 -3.762 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 33 9.380 -3.432 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 33 8.210 -1.250 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.538 -2.431 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.705 -0.713 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.115 0.274 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.401 -0.687 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.822 -1.116 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.555 -1.959 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.148 -1.179 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.978 -2.925 -5.777 1.00 0.00 H new ATOM 565 N LYS A 34 11.424 -3.196 -2.750 1.00 0.00 N ATOM 566 CA LYS A 34 12.636 -3.171 -1.940 1.00 0.00 C ATOM 567 C LYS A 34 13.102 -1.739 -1.704 1.00 0.00 C ATOM 568 O LYS A 34 13.333 -0.987 -2.651 1.00 0.00 O ATOM 569 CB LYS A 34 13.746 -3.975 -2.619 1.00 0.00 C ATOM 570 CG LYS A 34 13.472 -5.468 -2.673 1.00 0.00 C ATOM 571 CD LYS A 34 14.732 -6.256 -2.986 1.00 0.00 C ATOM 572 CE LYS A 34 14.416 -7.710 -3.303 1.00 0.00 C ATOM 573 NZ LYS A 34 15.573 -8.604 -3.021 1.00 0.00 N ATOM 0 H LYS A 34 11.585 -3.360 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 34 12.407 -3.624 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.883 -3.603 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.683 -3.805 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.063 -5.798 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.716 -5.673 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.246 -5.801 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.413 -6.207 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.557 -8.031 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.135 -7.800 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.317 -9.586 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.386 -8.314 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.825 -8.538 -2.014 1.00 0.00 H new ATOM 587 N ILE A 35 13.240 -1.367 -0.435 1.00 0.00 N ATOM 588 CA ILE A 35 13.682 -0.026 -0.075 1.00 0.00 C ATOM 589 C ILE A 35 15.202 0.084 -0.126 1.00 0.00 C ATOM 590 O ILE A 35 15.927 -0.741 0.428 1.00 0.00 O ATOM 591 CB ILE A 35 13.196 0.369 1.332 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.667 0.379 1.384 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.754 1.730 1.723 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.110 0.282 2.787 1.00 0.00 C ATOM 0 H ILE A 35 13.052 -1.977 0.361 1.00 0.00 H new ATOM 0 HA ILE A 35 13.246 0.656 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 35 13.560 -0.370 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.302 1.295 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.286 -0.453 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.401 1.995 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.843 1.691 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.417 2.480 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.021 0.295 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.446 -0.647 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.462 1.128 3.377 1.00 0.00 H new ATOM 606 N PRO A 36 15.697 1.130 -0.805 1.00 0.00 N ATOM 607 CA PRO A 36 17.135 1.375 -0.943 1.00 0.00 C ATOM 608 C PRO A 36 17.779 1.799 0.373 1.00 0.00 C ATOM 609 O PRO A 36 17.204 2.573 1.137 1.00 0.00 O ATOM 610 CB PRO A 36 17.205 2.514 -1.963 1.00 0.00 C ATOM 611 CG PRO A 36 15.897 3.215 -1.839 1.00 0.00 C ATOM 612 CD PRO A 36 14.889 2.154 -1.489 1.00 0.00 C ATOM 0 HA PRO A 36 17.674 0.478 -1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.036 3.186 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.355 2.132 -2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.938 3.984 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.631 3.713 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.103 2.544 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.401 1.754 -2.378 1.00 0.00 H new ATOM 620 N GLY A 37 18.979 1.287 0.631 1.00 0.00 N ATOM 621 CA GLY A 37 19.681 1.625 1.856 1.00 0.00 C ATOM 622 C GLY A 37 19.186 0.829 3.048 1.00 0.00 C ATOM 623 O GLY A 37 19.866 0.741 4.070 1.00 0.00 O ATOM 0 H GLY A 37 19.477 0.645 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.748 1.445 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.560 2.689 2.058 1.00 0.00 H new ATOM 627 N CYS A 38 17.999 0.249 2.916 1.00 0.00 N ATOM 628 CA CYS A 38 17.411 -0.541 3.992 1.00 0.00 C ATOM 629 C CYS A 38 17.264 -2.001 3.576 1.00 0.00 C ATOM 630 O CYS A 38 17.424 -2.343 2.404 1.00 0.00 O ATOM 631 CB CYS A 38 16.047 0.028 4.385 1.00 0.00 C ATOM 632 SG CYS A 38 15.602 -0.249 6.116 1.00 0.00 S ATOM 0 H CYS A 38 17.425 0.311 2.075 1.00 0.00 H new ATOM 0 HA CYS A 38 18.079 -0.491 4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.042 1.100 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.282 -0.418 3.749 1.00 0.00 H new ATOM 0 HG CYS A 38 15.456 0.895 6.715 1.00 0.00 H new ATOM 638 N ARG A 39 16.960 -2.860 4.544 1.00 0.00 N ATOM 639 CA ARG A 39 16.795 -4.284 4.279 1.00 0.00 C ATOM 640 C ARG A 39 15.319 -4.668 4.268 1.00 0.00 C ATOM 641 O ARG A 39 14.893 -5.523 3.491 1.00 0.00 O ATOM 642 CB ARG A 39 17.540 -5.110 5.330 1.00 0.00 C ATOM 643 CG ARG A 39 19.051 -5.083 5.166 1.00 0.00 C ATOM 644 CD ARG A 39 19.707 -6.268 5.857 1.00 0.00 C ATOM 645 NE ARG A 39 20.028 -5.980 7.252 1.00 0.00 N ATOM 646 CZ ARG A 39 19.152 -6.084 8.245 1.00 0.00 C ATOM 647 NH1 ARG A 39 17.906 -6.467 7.997 1.00 0.00 N ATOM 648 NH2 ARG A 39 19.519 -5.804 9.488 1.00 0.00 N ATOM 0 H ARG A 39 16.823 -2.594 5.519 1.00 0.00 H new ATOM 0 HA ARG A 39 17.215 -4.496 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.284 -4.737 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.196 -6.143 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.303 -5.093 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.446 -4.155 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.041 -7.130 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.618 -6.539 5.324 1.00 0.00 H new ATOM 0 HE ARG A 39 20.977 -5.682 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.619 -6.682 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.235 -6.546 8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.475 -5.508 9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.845 -5.884 10.249 1.00 0.00 H new ATOM 662 N LYS A 40 14.541 -4.031 5.137 1.00 0.00 N ATOM 663 CA LYS A 40 13.111 -4.303 5.228 1.00 0.00 C ATOM 664 C LYS A 40 12.392 -3.862 3.958 1.00 0.00 C ATOM 665 O LYS A 40 12.732 -2.839 3.365 1.00 0.00 O ATOM 666 CB LYS A 40 12.511 -3.588 6.442 1.00 0.00 C ATOM 667 CG LYS A 40 12.634 -4.378 7.734 1.00 0.00 C ATOM 668 CD LYS A 40 11.433 -5.283 7.949 1.00 0.00 C ATOM 669 CE LYS A 40 11.787 -6.482 8.816 1.00 0.00 C ATOM 670 NZ LYS A 40 12.760 -6.125 9.886 1.00 0.00 N ATOM 0 H LYS A 40 14.877 -3.322 5.789 1.00 0.00 H new ATOM 0 HA LYS A 40 12.977 -5.378 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.005 -2.624 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.458 -3.384 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.544 -4.978 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.728 -3.691 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.629 -4.717 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.058 -5.627 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.880 -6.883 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.207 -7.270 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.698 -6.820 10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.723 -6.127 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.539 -5.178 10.255 1.00 0.00 H new ATOM 684 N GLN A 41 11.395 -4.640 3.548 1.00 0.00 N ATOM 685 CA GLN A 41 10.627 -4.328 2.348 1.00 0.00 C ATOM 686 C GLN A 41 9.187 -3.970 2.701 1.00 0.00 C ATOM 687 O GLN A 41 8.724 -4.237 3.809 1.00 0.00 O ATOM 688 CB GLN A 41 10.647 -5.513 1.381 1.00 0.00 C ATOM 689 CG GLN A 41 12.038 -6.076 1.137 1.00 0.00 C ATOM 690 CD GLN A 41 12.016 -7.356 0.325 1.00 0.00 C ATOM 691 OE1 GLN A 41 10.951 -7.871 -0.013 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.196 -7.878 0.010 1.00 0.00 N ATOM 0 H GLN A 41 11.100 -5.490 4.029 1.00 0.00 H new ATOM 0 HA GLN A 41 11.089 -3.467 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.008 -6.303 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.218 -5.201 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.641 -5.331 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.522 -6.266 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.054 -7.417 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.244 -8.740 -0.533 1.00 0.00 H new ATOM 701 N GLY A 42 8.484 -3.361 1.751 1.00 0.00 N ATOM 702 CA GLY A 42 7.104 -2.975 1.981 1.00 0.00 C ATOM 703 C GLY A 42 6.160 -3.550 0.944 1.00 0.00 C ATOM 704 O GLY A 42 6.552 -3.787 -0.199 1.00 0.00 O ATOM 0 H GLY A 42 8.846 -3.128 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.797 -3.309 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.028 -1.888 1.974 1.00 0.00 H new ATOM 708 N LEU A 43 4.913 -3.776 1.342 1.00 0.00 N ATOM 709 CA LEU A 43 3.910 -4.328 0.438 1.00 0.00 C ATOM 710 C LEU A 43 2.958 -3.240 -0.050 1.00 0.00 C ATOM 711 O LEU A 43 2.479 -2.422 0.735 1.00 0.00 O ATOM 712 CB LEU A 43 3.120 -5.436 1.138 1.00 0.00 C ATOM 713 CG LEU A 43 1.843 -5.897 0.434 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.180 -6.641 -0.850 1.00 0.00 C ATOM 715 CD2 LEU A 43 1.011 -6.775 1.358 1.00 0.00 C ATOM 0 H LEU A 43 4.572 -3.586 2.284 1.00 0.00 H new ATOM 0 HA LEU A 43 4.426 -4.747 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.775 -6.299 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.856 -5.090 2.137 1.00 0.00 H new ATOM 0 HG LEU A 43 1.255 -5.016 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.259 -6.961 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.734 -5.981 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.789 -7.514 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.106 -7.094 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.591 -7.651 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.739 -6.210 2.249 1.00 0.00 H new ATOM 727 N VAL A 44 2.688 -3.238 -1.352 1.00 0.00 N ATOM 728 CA VAL A 44 1.791 -2.253 -1.944 1.00 0.00 C ATOM 729 C VAL A 44 0.431 -2.867 -2.258 1.00 0.00 C ATOM 730 O VAL A 44 0.309 -3.709 -3.149 1.00 0.00 O ATOM 731 CB VAL A 44 2.385 -1.659 -3.235 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.466 -0.588 -3.802 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.774 -1.097 -2.974 1.00 0.00 C ATOM 0 H VAL A 44 3.078 -3.907 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 44 1.666 -1.457 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 44 2.474 -2.456 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.902 -0.180 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.494 -1.026 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.342 0.210 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.178 -0.682 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.713 -0.313 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.428 -1.893 -2.618 1.00 0.00 H new ATOM 743 N HIS A 45 -0.589 -2.439 -1.522 1.00 0.00 N ATOM 744 CA HIS A 45 -1.942 -2.946 -1.722 1.00 0.00 C ATOM 745 C HIS A 45 -2.380 -2.766 -3.173 1.00 0.00 C ATOM 746 O HIS A 45 -1.978 -1.813 -3.839 1.00 0.00 O ATOM 747 CB HIS A 45 -2.920 -2.230 -0.789 1.00 0.00 C ATOM 748 CG HIS A 45 -4.105 -3.064 -0.411 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.199 -2.558 0.259 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.366 -4.377 -0.616 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.080 -3.524 0.453 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.599 -4.637 -0.069 1.00 0.00 N ATOM 0 H HIS A 45 -0.505 -1.742 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.943 -4.011 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.393 -1.931 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.268 -1.317 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.724 -5.087 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.031 -3.420 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.067 -5.543 -0.067 1.00 0.00 H new ATOM 760 N ARG A 46 -3.204 -3.691 -3.655 1.00 0.00 N ATOM 761 CA ARG A 46 -3.695 -3.636 -5.027 1.00 0.00 C ATOM 762 C ARG A 46 -4.461 -2.341 -5.279 1.00 0.00 C ATOM 763 O ARG A 46 -4.437 -1.796 -6.383 1.00 0.00 O ATOM 764 CB ARG A 46 -4.593 -4.839 -5.318 1.00 0.00 C ATOM 765 CG ARG A 46 -5.688 -5.046 -4.283 1.00 0.00 C ATOM 766 CD ARG A 46 -6.791 -5.949 -4.813 1.00 0.00 C ATOM 767 NE ARG A 46 -7.827 -5.194 -5.512 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.672 -4.369 -4.905 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.604 -4.193 -3.592 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.588 -3.718 -5.610 1.00 0.00 N ATOM 0 H ARG A 46 -3.545 -4.487 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.835 -3.664 -5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.051 -4.711 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.978 -5.737 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.260 -5.483 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.110 -4.082 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.361 -6.687 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.239 -6.498 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.906 -5.307 -6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.901 -4.692 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.254 -3.559 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.644 -3.851 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.236 -3.085 -5.142 1.00 0.00 H new ATOM 784 N THR A 47 -5.142 -1.852 -4.247 1.00 0.00 N ATOM 785 CA THR A 47 -5.918 -0.623 -4.356 1.00 0.00 C ATOM 786 C THR A 47 -5.008 0.587 -4.536 1.00 0.00 C ATOM 787 O THR A 47 -5.368 1.552 -5.211 1.00 0.00 O ATOM 788 CB THR A 47 -6.804 -0.405 -3.115 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.627 0.752 -3.298 1.00 0.00 O ATOM 790 CG2 THR A 47 -5.952 -0.235 -1.866 1.00 0.00 C ATOM 0 H THR A 47 -5.172 -2.289 -3.326 1.00 0.00 H new ATOM 0 HA THR A 47 -6.556 -0.729 -5.234 1.00 0.00 H new ATOM 0 HB THR A 47 -7.436 -1.284 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.188 0.883 -2.505 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.599 -0.082 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.348 -1.129 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.298 0.629 -1.986 1.00 0.00 H new ATOM 798 N HIS A 48 -3.826 0.528 -3.929 1.00 0.00 N ATOM 799 CA HIS A 48 -2.863 1.620 -4.024 1.00 0.00 C ATOM 800 C HIS A 48 -2.018 1.490 -5.287 1.00 0.00 C ATOM 801 O HIS A 48 -1.417 2.462 -5.745 1.00 0.00 O ATOM 802 CB HIS A 48 -1.960 1.640 -2.791 1.00 0.00 C ATOM 803 CG HIS A 48 -2.603 2.258 -1.587 1.00 0.00 C ATOM 804 ND1 HIS A 48 -3.102 1.693 -0.463 1.00 0.00 N flip ATOM 805 CD2 HIS A 48 -2.791 3.616 -1.449 1.00 0.00 C flip ATOM 806 CE1 HIS A 48 -3.578 2.711 0.327 1.00 0.00 C flip ATOM 807 NE2 HIS A 48 -3.379 3.861 -0.291 1.00 0.00 N flip ATOM 0 H HIS A 48 -3.513 -0.263 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.417 2.557 -4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.664 0.619 -2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.048 2.188 -3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.121 0.697 -0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.503 4.363 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.040 2.591 1.296 1.00 0.00 H new ATOM 815 N MET A 49 -1.976 0.284 -5.844 1.00 0.00 N ATOM 816 CA MET A 49 -1.203 0.029 -7.055 1.00 0.00 C ATOM 817 C MET A 49 -1.727 0.862 -8.220 1.00 0.00 C ATOM 818 O MET A 49 -0.956 1.329 -9.058 1.00 0.00 O ATOM 819 CB MET A 49 -1.254 -1.457 -7.413 1.00 0.00 C ATOM 820 CG MET A 49 -0.279 -2.309 -6.615 1.00 0.00 C ATOM 821 SD MET A 49 0.039 -3.908 -7.385 1.00 0.00 S ATOM 822 CE MET A 49 1.486 -3.529 -8.366 1.00 0.00 C ATOM 0 H MET A 49 -2.467 -0.531 -5.477 1.00 0.00 H new ATOM 0 HA MET A 49 -0.169 0.315 -6.863 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.266 -1.827 -7.249 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.040 -1.574 -8.475 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.662 -1.770 -6.504 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.676 -2.466 -5.612 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.960 -4.456 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.191 -2.949 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.190 -2.950 -7.768 1.00 0.00 H new ATOM 832 N SER A 50 -3.043 1.046 -8.266 1.00 0.00 N ATOM 833 CA SER A 50 -3.670 1.820 -9.332 1.00 0.00 C ATOM 834 C SER A 50 -4.544 2.928 -8.754 1.00 0.00 C ATOM 835 O SER A 50 -4.886 2.914 -7.572 1.00 0.00 O ATOM 836 CB SER A 50 -4.509 0.908 -10.228 1.00 0.00 C ATOM 837 OG SER A 50 -4.617 1.438 -11.537 1.00 0.00 O ATOM 0 H SER A 50 -3.695 0.670 -7.578 1.00 0.00 H new ATOM 0 HA SER A 50 -2.881 2.277 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.056 -0.083 -10.270 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.503 0.786 -9.799 1.00 0.00 H new ATOM 0 HG SER A 50 -5.157 0.836 -12.090 1.00 0.00 H new ATOM 843 N SER A 51 -4.904 3.890 -9.599 1.00 0.00 N ATOM 844 CA SER A 51 -5.735 5.010 -9.174 1.00 0.00 C ATOM 845 C SER A 51 -6.971 4.516 -8.427 1.00 0.00 C ATOM 846 O SER A 51 -7.100 4.714 -7.218 1.00 0.00 O ATOM 847 CB SER A 51 -6.156 5.848 -10.382 1.00 0.00 C ATOM 848 OG SER A 51 -5.043 6.509 -10.958 1.00 0.00 O ATOM 0 H SER A 51 -4.633 3.916 -10.582 1.00 0.00 H new ATOM 0 HA SER A 51 -5.147 5.631 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.627 5.207 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.901 6.583 -10.077 1.00 0.00 H new ATOM 0 HG SER A 51 -5.339 7.036 -11.729 1.00 0.00 H new ATOM 854 N CYS A 52 -7.876 3.873 -9.156 1.00 0.00 N ATOM 855 CA CYS A 52 -9.103 3.350 -8.564 1.00 0.00 C ATOM 856 C CYS A 52 -9.375 1.928 -9.043 1.00 0.00 C ATOM 857 O CYS A 52 -9.337 0.980 -8.259 1.00 0.00 O ATOM 858 CB CYS A 52 -10.286 4.254 -8.911 1.00 0.00 C ATOM 859 SG CYS A 52 -11.711 4.060 -7.815 1.00 0.00 S ATOM 0 H CYS A 52 -7.784 3.701 -10.157 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.976 3.330 -7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.957 5.293 -8.881 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.598 4.048 -9.935 1.00 0.00 H new ATOM 0 HG CYS A 52 -12.659 4.868 -8.188 1.00 0.00 H new ATOM 865 N ARG A 53 -9.652 1.788 -10.335 1.00 0.00 N ATOM 866 CA ARG A 53 -9.933 0.482 -10.919 1.00 0.00 C ATOM 867 C ARG A 53 -8.687 -0.398 -10.911 1.00 0.00 C ATOM 868 O ARG A 53 -7.626 0.005 -11.387 1.00 0.00 O ATOM 869 CB ARG A 53 -10.450 0.640 -12.351 1.00 0.00 C ATOM 870 CG ARG A 53 -9.347 0.852 -13.376 1.00 0.00 C ATOM 871 CD ARG A 53 -9.830 1.689 -14.549 1.00 0.00 C ATOM 872 NE ARG A 53 -10.409 2.958 -14.113 1.00 0.00 N ATOM 873 CZ ARG A 53 -10.867 3.883 -14.951 1.00 0.00 C ATOM 874 NH1 ARG A 53 -10.812 3.681 -16.260 1.00 0.00 N ATOM 875 NH2 ARG A 53 -11.380 5.011 -14.478 1.00 0.00 N ATOM 0 H ARG A 53 -9.688 2.563 -10.997 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.701 -0.000 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.021 -0.248 -12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.137 1.485 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.498 1.344 -12.902 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.994 -0.114 -13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.996 1.883 -15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.573 1.127 -15.114 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.465 3.144 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.418 2.814 -16.626 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.164 4.392 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.423 5.169 -13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.731 5.721 -15.121 1.00 0.00 H new ATOM 889 N VAL A 54 -8.823 -1.603 -10.365 1.00 0.00 N ATOM 890 CA VAL A 54 -7.709 -2.540 -10.295 1.00 0.00 C ATOM 891 C VAL A 54 -8.037 -3.840 -11.021 1.00 0.00 C ATOM 892 O VAL A 54 -8.432 -4.827 -10.399 1.00 0.00 O ATOM 893 CB VAL A 54 -7.336 -2.860 -8.835 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.969 -3.523 -8.766 1.00 0.00 C ATOM 895 CG2 VAL A 54 -7.367 -1.596 -7.989 1.00 0.00 C ATOM 0 H VAL A 54 -9.694 -1.952 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.861 -2.060 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.072 -3.557 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.723 -3.742 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.985 -4.451 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.218 -2.852 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.101 -1.840 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.654 -0.874 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.369 -1.167 -8.013 1.00 0.00 H new ATOM 905 N ASP A 55 -7.871 -3.834 -12.338 1.00 0.00 N ATOM 906 CA ASP A 55 -8.149 -5.014 -13.150 1.00 0.00 C ATOM 907 C ASP A 55 -7.103 -6.097 -12.908 1.00 0.00 C ATOM 908 O ASP A 55 -7.437 -7.236 -12.581 1.00 0.00 O ATOM 909 CB ASP A 55 -8.184 -4.643 -14.633 1.00 0.00 C ATOM 910 CG ASP A 55 -8.603 -5.805 -15.511 1.00 0.00 C ATOM 911 OD1 ASP A 55 -8.246 -6.956 -15.182 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.287 -5.563 -16.527 1.00 0.00 O ATOM 0 H ASP A 55 -7.545 -3.025 -12.867 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.124 -5.404 -12.859 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.875 -3.813 -14.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.198 -4.296 -14.941 1.00 0.00 H new ATOM 917 N LYS A 56 -5.835 -5.736 -13.072 1.00 0.00 N ATOM 918 CA LYS A 56 -4.739 -6.676 -12.873 1.00 0.00 C ATOM 919 C LYS A 56 -3.490 -5.958 -12.375 1.00 0.00 C ATOM 920 O LYS A 56 -2.796 -5.275 -13.127 1.00 0.00 O ATOM 921 CB LYS A 56 -4.430 -7.416 -14.176 1.00 0.00 C ATOM 922 CG LYS A 56 -5.267 -8.667 -14.380 1.00 0.00 C ATOM 923 CD LYS A 56 -4.659 -9.579 -15.432 1.00 0.00 C ATOM 924 CE LYS A 56 -5.007 -9.119 -16.838 1.00 0.00 C ATOM 925 NZ LYS A 56 -4.461 -10.038 -17.874 1.00 0.00 N ATOM 0 H LYS A 56 -5.541 -4.798 -13.343 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.047 -7.399 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.593 -6.740 -15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.375 -7.689 -14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.354 -9.206 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.276 -8.386 -14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.576 -9.601 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.017 -10.598 -15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.090 -9.057 -16.942 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.614 -8.115 -16.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.720 -9.689 -18.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.425 -10.078 -17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.856 -10.990 -17.736 1.00 0.00 H new ATOM 939 N PRO A 57 -3.194 -6.115 -11.076 1.00 0.00 N ATOM 940 CA PRO A 57 -2.025 -5.490 -10.449 1.00 0.00 C ATOM 941 C PRO A 57 -0.713 -6.106 -10.924 1.00 0.00 C ATOM 942 O PRO A 57 0.354 -5.513 -10.771 1.00 0.00 O ATOM 943 CB PRO A 57 -2.234 -5.762 -8.957 1.00 0.00 C ATOM 944 CG PRO A 57 -3.083 -6.985 -8.911 1.00 0.00 C ATOM 945 CD PRO A 57 -3.976 -6.915 -10.119 1.00 0.00 C ATOM 0 HA PRO A 57 -1.948 -4.431 -10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.284 -5.920 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.724 -4.921 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.470 -7.886 -8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.670 -7.018 -7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.199 -7.907 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.930 -6.443 -9.886 1.00 0.00 H new ATOM 953 N SER A 58 -0.801 -7.300 -11.501 1.00 0.00 N ATOM 954 CA SER A 58 0.380 -7.999 -11.995 1.00 0.00 C ATOM 955 C SER A 58 0.767 -7.496 -13.383 1.00 0.00 C ATOM 956 O SER A 58 1.834 -7.828 -13.899 1.00 0.00 O ATOM 957 CB SER A 58 0.126 -9.506 -12.040 1.00 0.00 C ATOM 958 OG SER A 58 1.329 -10.220 -12.263 1.00 0.00 O ATOM 0 H SER A 58 -1.677 -7.804 -11.638 1.00 0.00 H new ATOM 0 HA SER A 58 1.204 -7.797 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.324 -9.830 -11.102 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.588 -9.734 -12.832 1.00 0.00 H new ATOM 0 HG SER A 58 1.901 -9.713 -12.876 1.00 0.00 H new ATOM 964 N GLU A 59 -0.109 -6.695 -13.981 1.00 0.00 N ATOM 965 CA GLU A 59 0.141 -6.147 -15.309 1.00 0.00 C ATOM 966 C GLU A 59 0.657 -4.713 -15.219 1.00 0.00 C ATOM 967 O GLU A 59 1.178 -4.168 -16.192 1.00 0.00 O ATOM 968 CB GLU A 59 -1.137 -6.189 -16.151 1.00 0.00 C ATOM 969 CG GLU A 59 -1.574 -7.595 -16.524 1.00 0.00 C ATOM 970 CD GLU A 59 -0.453 -8.410 -17.141 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.412 -7.813 -17.814 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.442 -9.644 -16.951 1.00 0.00 O ATOM 0 H GLU A 59 -0.997 -6.411 -13.567 1.00 0.00 H new ATOM 0 HA GLU A 59 0.904 -6.760 -15.789 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.941 -5.702 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.981 -5.612 -17.063 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.942 -8.105 -15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.406 -7.539 -17.226 1.00 0.00 H new ATOM 979 N ILE A 60 0.507 -4.111 -14.045 1.00 0.00 N ATOM 980 CA ILE A 60 0.958 -2.741 -13.826 1.00 0.00 C ATOM 981 C ILE A 60 2.464 -2.688 -13.598 1.00 0.00 C ATOM 982 O ILE A 60 3.121 -1.707 -13.944 1.00 0.00 O ATOM 983 CB ILE A 60 0.244 -2.098 -12.623 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.263 -2.352 -12.700 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.533 -0.606 -12.570 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.030 -1.802 -11.518 1.00 0.00 C ATOM 0 H ILE A 60 0.077 -4.549 -13.230 1.00 0.00 H new ATOM 0 HA ILE A 60 0.710 -2.180 -14.727 1.00 0.00 H new ATOM 0 HB ILE A 60 0.624 -2.554 -11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.652 -1.905 -13.615 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.439 -3.425 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.021 -0.166 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.607 -0.447 -12.472 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.179 -0.134 -13.486 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.091 -2.019 -11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.668 -2.267 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.884 -0.723 -11.460 1.00 0.00 H new ATOM 998 N VAL A 61 3.006 -3.752 -13.015 1.00 0.00 N ATOM 999 CA VAL A 61 4.437 -3.830 -12.742 1.00 0.00 C ATOM 1000 C VAL A 61 4.958 -5.248 -12.941 1.00 0.00 C ATOM 1001 O VAL A 61 4.191 -6.171 -13.214 1.00 0.00 O ATOM 1002 CB VAL A 61 4.761 -3.371 -11.307 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.146 -2.008 -11.031 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.274 -4.400 -10.297 1.00 0.00 C ATOM 0 H VAL A 61 2.476 -4.573 -12.722 1.00 0.00 H new ATOM 0 HA VAL A 61 4.931 -3.163 -13.449 1.00 0.00 H new ATOM 0 HB VAL A 61 5.843 -3.281 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.385 -1.700 -10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.547 -1.279 -11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.064 -2.067 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.511 -4.060 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.195 -4.523 -10.395 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.767 -5.354 -10.483 1.00 0.00 H new ATOM 1014 N ASP A 62 6.269 -5.415 -12.801 1.00 0.00 N ATOM 1015 CA ASP A 62 6.894 -6.723 -12.963 1.00 0.00 C ATOM 1016 C ASP A 62 8.281 -6.744 -12.326 1.00 0.00 C ATOM 1017 O ASP A 62 9.027 -5.769 -12.405 1.00 0.00 O ATOM 1018 CB ASP A 62 6.996 -7.083 -14.446 1.00 0.00 C ATOM 1019 CG ASP A 62 5.765 -6.668 -15.228 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.636 -5.465 -15.540 1.00 0.00 O ATOM 1021 OD2 ASP A 62 4.929 -7.546 -15.528 1.00 0.00 O ATOM 0 H ASP A 62 6.919 -4.662 -12.576 1.00 0.00 H new ATOM 0 HA ASP A 62 6.270 -7.462 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.875 -6.601 -14.874 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.142 -8.159 -14.547 1.00 0.00 H new ATOM 1026 N VAL A 63 8.618 -7.864 -11.694 1.00 0.00 N ATOM 1027 CA VAL A 63 9.914 -8.014 -11.043 1.00 0.00 C ATOM 1028 C VAL A 63 11.031 -7.435 -11.903 1.00 0.00 C ATOM 1029 O VAL A 63 11.244 -7.866 -13.036 1.00 0.00 O ATOM 1030 CB VAL A 63 10.225 -9.492 -10.744 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.601 -9.631 -10.111 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.152 -10.090 -9.845 1.00 0.00 C ATOM 0 H VAL A 63 8.011 -8.681 -11.619 1.00 0.00 H new ATOM 0 HA VAL A 63 9.861 -7.465 -10.103 1.00 0.00 H new ATOM 0 HB VAL A 63 10.228 -10.043 -11.685 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.803 -10.682 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.357 -9.242 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.631 -9.068 -9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.387 -11.135 -9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.116 -9.539 -8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.184 -10.025 -10.341 1.00 0.00 H new ATOM 1042 N GLY A 64 11.745 -6.453 -11.358 1.00 0.00 N ATOM 1043 CA GLY A 64 12.832 -5.832 -12.090 1.00 0.00 C ATOM 1044 C GLY A 64 12.557 -4.377 -12.411 1.00 0.00 C ATOM 1045 O GLY A 64 13.484 -3.594 -12.621 1.00 0.00 O ATOM 0 H GLY A 64 11.589 -6.078 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.749 -5.905 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.001 -6.380 -13.017 1.00 0.00 H new ATOM 1049 N ASP A 65 11.280 -4.012 -12.452 1.00 0.00 N ATOM 1050 CA ASP A 65 10.886 -2.640 -12.750 1.00 0.00 C ATOM 1051 C ASP A 65 10.967 -1.767 -11.501 1.00 0.00 C ATOM 1052 O ASP A 65 10.417 -2.108 -10.454 1.00 0.00 O ATOM 1053 CB ASP A 65 9.465 -2.608 -13.318 1.00 0.00 C ATOM 1054 CG ASP A 65 9.372 -3.264 -14.681 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.404 -3.324 -15.382 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.268 -3.716 -15.048 1.00 0.00 O ATOM 0 H ASP A 65 10.500 -4.647 -12.283 1.00 0.00 H new ATOM 0 HA ASP A 65 11.577 -2.243 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.789 -3.113 -12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.130 -1.574 -13.392 1.00 0.00 H new ATOM 1061 N LYS A 66 11.659 -0.638 -11.619 1.00 0.00 N ATOM 1062 CA LYS A 66 11.814 0.284 -10.501 1.00 0.00 C ATOM 1063 C LYS A 66 10.751 1.377 -10.547 1.00 0.00 C ATOM 1064 O LYS A 66 10.507 1.976 -11.594 1.00 0.00 O ATOM 1065 CB LYS A 66 13.209 0.914 -10.522 1.00 0.00 C ATOM 1066 CG LYS A 66 13.416 1.971 -9.451 1.00 0.00 C ATOM 1067 CD LYS A 66 14.792 2.606 -9.553 1.00 0.00 C ATOM 1068 CE LYS A 66 15.306 3.043 -8.190 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.794 3.060 -8.138 1.00 0.00 N ATOM 0 H LYS A 66 12.121 -0.340 -12.478 1.00 0.00 H new ATOM 0 HA LYS A 66 11.691 -0.281 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.955 0.129 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.381 1.362 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.651 2.741 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.294 1.521 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.490 1.895 -9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.748 3.467 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.923 4.037 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.923 2.368 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.105 3.363 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.159 2.106 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.159 3.723 -8.851 1.00 0.00 H new ATOM 1083 N VAL A 67 10.121 1.632 -9.405 1.00 0.00 N ATOM 1084 CA VAL A 67 9.086 2.654 -9.314 1.00 0.00 C ATOM 1085 C VAL A 67 9.183 3.418 -7.998 1.00 0.00 C ATOM 1086 O VAL A 67 9.927 3.032 -7.097 1.00 0.00 O ATOM 1087 CB VAL A 67 7.679 2.041 -9.436 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.556 1.239 -10.723 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.368 1.173 -8.226 1.00 0.00 C ATOM 0 H VAL A 67 10.310 1.144 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 67 9.247 3.342 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 67 6.951 2.851 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.555 0.813 -10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.732 1.893 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.293 0.436 -10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.370 0.748 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.100 0.368 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.412 1.780 -7.322 1.00 0.00 H new ATOM 1099 N TRP A 68 8.424 4.504 -7.893 1.00 0.00 N ATOM 1100 CA TRP A 68 8.423 5.323 -6.687 1.00 0.00 C ATOM 1101 C TRP A 68 7.200 5.023 -5.827 1.00 0.00 C ATOM 1102 O TRP A 68 6.077 4.957 -6.328 1.00 0.00 O ATOM 1103 CB TRP A 68 8.454 6.807 -7.053 1.00 0.00 C ATOM 1104 CG TRP A 68 9.769 7.252 -7.618 1.00 0.00 C ATOM 1105 CD1 TRP A 68 10.120 7.300 -8.936 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.907 7.711 -6.880 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.409 7.760 -9.063 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.913 8.020 -7.817 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.174 7.893 -5.520 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.163 8.499 -7.434 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.416 8.368 -5.143 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.397 8.667 -6.097 1.00 0.00 C ATOM 0 H TRP A 68 7.802 4.837 -8.629 1.00 0.00 H new ATOM 0 HA TRP A 68 9.317 5.080 -6.112 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.667 7.011 -7.779 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.230 7.398 -6.165 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.479 7.018 -9.758 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.909 7.887 -9.943 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.423 7.667 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.922 8.730 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.634 8.511 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.357 9.038 -5.770 1.00 0.00 H new ATOM 1123 N VAL A 69 7.424 4.844 -4.529 1.00 0.00 N ATOM 1124 CA VAL A 69 6.338 4.554 -3.599 1.00 0.00 C ATOM 1125 C VAL A 69 6.416 5.449 -2.367 1.00 0.00 C ATOM 1126 O VAL A 69 7.470 6.001 -2.052 1.00 0.00 O ATOM 1127 CB VAL A 69 6.362 3.080 -3.151 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.305 2.155 -4.357 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.600 2.799 -2.312 1.00 0.00 C ATOM 0 H VAL A 69 8.347 4.895 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 69 5.406 4.750 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 69 5.483 2.891 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.323 1.118 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.387 2.340 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.164 2.343 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.601 1.753 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.493 3.005 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.593 3.438 -1.429 1.00 0.00 H new ATOM 1139 N LYS A 70 5.291 5.589 -1.673 1.00 0.00 N ATOM 1140 CA LYS A 70 5.230 6.416 -0.474 1.00 0.00 C ATOM 1141 C LYS A 70 4.645 5.634 0.698 1.00 0.00 C ATOM 1142 O LYS A 70 3.638 4.940 0.552 1.00 0.00 O ATOM 1143 CB LYS A 70 4.390 7.668 -0.735 1.00 0.00 C ATOM 1144 CG LYS A 70 4.274 8.584 0.470 1.00 0.00 C ATOM 1145 CD LYS A 70 3.095 9.535 0.336 1.00 0.00 C ATOM 1146 CE LYS A 70 1.780 8.840 0.656 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.606 9.643 0.211 1.00 0.00 N ATOM 0 H LYS A 70 4.409 5.140 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 70 6.246 6.715 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.830 8.224 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.391 7.366 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.159 7.985 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.194 9.157 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.232 10.383 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.060 9.933 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.757 7.864 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.714 8.664 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.244 9.044 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.465 10.442 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.776 10.004 -0.749 1.00 0.00 H new ATOM 1161 N LEU A 71 5.281 5.750 1.857 1.00 0.00 N ATOM 1162 CA LEU A 71 4.823 5.055 3.055 1.00 0.00 C ATOM 1163 C LEU A 71 3.501 5.634 3.549 1.00 0.00 C ATOM 1164 O LEU A 71 3.340 6.852 3.637 1.00 0.00 O ATOM 1165 CB LEU A 71 5.877 5.148 4.158 1.00 0.00 C ATOM 1166 CG LEU A 71 5.737 4.150 5.308 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.293 2.792 4.907 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.438 4.670 6.554 1.00 0.00 C ATOM 0 H LEU A 71 6.116 6.319 1.994 1.00 0.00 H new ATOM 0 HA LEU A 71 4.667 4.007 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.860 5.015 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.851 6.156 4.573 1.00 0.00 H new ATOM 0 HG LEU A 71 4.677 4.032 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.185 2.095 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.745 2.415 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.348 2.892 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.328 3.947 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.497 4.818 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.992 5.619 6.853 1.00 0.00 H new ATOM 1180 N ILE A 72 2.559 4.755 3.871 1.00 0.00 N ATOM 1181 CA ILE A 72 1.252 5.180 4.360 1.00 0.00 C ATOM 1182 C ILE A 72 0.999 4.663 5.772 1.00 0.00 C ATOM 1183 O ILE A 72 0.216 5.241 6.525 1.00 0.00 O ATOM 1184 CB ILE A 72 0.121 4.693 3.436 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.174 3.172 3.286 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.220 5.369 2.076 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.786 2.633 2.248 1.00 0.00 C ATOM 0 H ILE A 72 2.675 3.744 3.802 1.00 0.00 H new ATOM 0 HA ILE A 72 1.257 6.270 4.371 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.835 4.961 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.189 2.877 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.049 2.712 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.586 5.014 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.137 6.449 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.180 5.129 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.694 1.548 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.807 2.898 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.550 3.064 1.275 1.00 0.00 H new ATOM 1199 N GLY A 73 1.669 3.570 6.125 1.00 0.00 N ATOM 1200 CA GLY A 73 1.503 2.993 7.446 1.00 0.00 C ATOM 1201 C GLY A 73 2.638 2.059 7.818 1.00 0.00 C ATOM 1202 O GLY A 73 2.837 1.027 7.175 1.00 0.00 O ATOM 0 H GLY A 73 2.323 3.074 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.439 3.793 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.560 2.447 7.485 1.00 0.00 H new ATOM 1206 N ARG A 74 3.384 2.420 8.856 1.00 0.00 N ATOM 1207 CA ARG A 74 4.506 1.608 9.310 1.00 0.00 C ATOM 1208 C ARG A 74 4.301 1.153 10.752 1.00 0.00 C ATOM 1209 O ARG A 74 4.078 1.971 11.644 1.00 0.00 O ATOM 1210 CB ARG A 74 5.813 2.395 9.193 1.00 0.00 C ATOM 1211 CG ARG A 74 5.924 3.542 10.185 1.00 0.00 C ATOM 1212 CD ARG A 74 7.212 4.327 9.987 1.00 0.00 C ATOM 1213 NE ARG A 74 7.652 4.975 11.219 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.872 5.470 11.394 1.00 0.00 C ATOM 1215 NH1 ARG A 74 9.769 5.390 10.420 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.198 6.045 12.544 1.00 0.00 N ATOM 0 H ARG A 74 3.232 3.270 9.399 1.00 0.00 H new ATOM 0 HA ARG A 74 4.563 0.725 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.652 1.715 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.899 2.791 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.069 4.208 10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.888 3.150 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.994 3.657 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.062 5.081 9.214 1.00 0.00 H new ATOM 0 HE ARG A 74 6.986 5.052 11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.522 4.948 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.705 5.771 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.511 6.108 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.135 6.425 12.677 1.00 0.00 H new ATOM 1230 N GLU A 75 4.379 -0.156 10.971 1.00 0.00 N ATOM 1231 CA GLU A 75 4.200 -0.718 12.304 1.00 0.00 C ATOM 1232 C GLU A 75 5.152 -1.888 12.534 1.00 0.00 C ATOM 1233 O GLU A 75 5.161 -2.853 11.771 1.00 0.00 O ATOM 1234 CB GLU A 75 2.753 -1.177 12.499 1.00 0.00 C ATOM 1235 CG GLU A 75 1.791 -0.044 12.813 1.00 0.00 C ATOM 1236 CD GLU A 75 2.064 0.596 14.161 1.00 0.00 C ATOM 1237 OE1 GLU A 75 1.634 0.025 15.185 1.00 0.00 O ATOM 1238 OE2 GLU A 75 2.707 1.665 14.190 1.00 0.00 O ATOM 0 H GLU A 75 4.565 -0.846 10.243 1.00 0.00 H new ATOM 0 HA GLU A 75 4.427 0.061 13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.418 -1.687 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.718 -1.906 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.862 0.715 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.770 -0.424 12.796 1.00 0.00 H new ATOM 1245 N MET A 76 5.953 -1.793 13.591 1.00 0.00 N ATOM 1246 CA MET A 76 6.909 -2.844 13.921 1.00 0.00 C ATOM 1247 C MET A 76 6.583 -3.469 15.273 1.00 0.00 C ATOM 1248 O MET A 76 6.674 -2.813 16.311 1.00 0.00 O ATOM 1249 CB MET A 76 8.332 -2.283 13.935 1.00 0.00 C ATOM 1250 CG MET A 76 8.810 -1.806 12.573 1.00 0.00 C ATOM 1251 SD MET A 76 7.907 -0.361 11.986 1.00 0.00 S ATOM 1252 CE MET A 76 7.599 -0.822 10.283 1.00 0.00 C ATOM 0 H MET A 76 5.959 -1.000 14.233 1.00 0.00 H new ATOM 0 HA MET A 76 6.839 -3.618 13.156 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.379 -1.452 14.639 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.013 -3.051 14.302 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.872 -1.568 12.628 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.702 -2.615 11.851 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.867 0.007 9.628 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.200 -1.695 10.028 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.543 -1.059 10.156 1.00 0.00 H new ATOM 1262 N LYS A 77 6.203 -4.742 15.255 1.00 0.00 N ATOM 1263 CA LYS A 77 5.865 -5.458 16.480 1.00 0.00 C ATOM 1264 C LYS A 77 6.828 -6.616 16.718 1.00 0.00 C ATOM 1265 O LYS A 77 7.305 -7.242 15.773 1.00 0.00 O ATOM 1266 CB LYS A 77 4.429 -5.981 16.409 1.00 0.00 C ATOM 1267 CG LYS A 77 3.759 -6.108 17.766 1.00 0.00 C ATOM 1268 CD LYS A 77 3.046 -4.826 18.159 1.00 0.00 C ATOM 1269 CE LYS A 77 1.640 -4.770 17.580 1.00 0.00 C ATOM 1270 NZ LYS A 77 0.854 -3.638 18.142 1.00 0.00 N ATOM 0 H LYS A 77 6.121 -5.300 14.405 1.00 0.00 H new ATOM 0 HA LYS A 77 5.951 -4.761 17.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.838 -5.312 15.783 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.430 -6.956 15.921 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.044 -6.931 17.744 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.506 -6.355 18.520 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.996 -4.754 19.246 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.619 -3.968 17.809 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.697 -4.670 16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.125 -5.708 17.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.098 -3.634 17.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.777 -3.747 19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.332 -2.741 17.923 1.00 0.00 H new ATOM 1284 N ASN A 78 7.108 -6.896 17.986 1.00 0.00 N ATOM 1285 CA ASN A 78 8.014 -7.980 18.348 1.00 0.00 C ATOM 1286 C ASN A 78 7.502 -9.316 17.819 1.00 0.00 C ATOM 1287 O ASN A 78 8.233 -10.307 17.792 1.00 0.00 O ATOM 1288 CB ASN A 78 8.180 -8.050 19.867 1.00 0.00 C ATOM 1289 CG ASN A 78 8.976 -6.882 20.416 1.00 0.00 C ATOM 1290 OD1 ASN A 78 8.417 -5.838 20.752 1.00 0.00 O ATOM 1291 ND2 ASN A 78 10.290 -7.053 20.510 1.00 0.00 N ATOM 0 H ASN A 78 6.721 -6.387 18.781 1.00 0.00 H new ATOM 0 HA ASN A 78 8.983 -7.776 17.893 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.197 -8.069 20.337 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.678 -8.982 20.133 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.877 -6.302 20.872 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.712 -7.935 20.220 1.00 0.00 H new ATOM 1298 N ASP A 79 6.242 -9.336 17.399 1.00 0.00 N ATOM 1299 CA ASP A 79 5.631 -10.549 16.869 1.00 0.00 C ATOM 1300 C ASP A 79 5.741 -10.593 15.348 1.00 0.00 C ATOM 1301 O ASP A 79 5.849 -11.666 14.754 1.00 0.00 O ATOM 1302 CB ASP A 79 4.163 -10.632 17.289 1.00 0.00 C ATOM 1303 CG ASP A 79 3.673 -12.063 17.400 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.424 -12.908 17.930 1.00 0.00 O ATOM 1305 OD2 ASP A 79 2.538 -12.338 16.955 1.00 0.00 O ATOM 0 H ASP A 79 5.623 -8.525 17.415 1.00 0.00 H new ATOM 0 HA ASP A 79 6.167 -11.405 17.279 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.034 -10.131 18.248 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.550 -10.096 16.564 1.00 0.00 H new ATOM 1310 N ARG A 80 5.712 -9.420 14.724 1.00 0.00 N ATOM 1311 CA ARG A 80 5.806 -9.326 13.272 1.00 0.00 C ATOM 1312 C ARG A 80 5.857 -7.868 12.825 1.00 0.00 C ATOM 1313 O ARG A 80 5.413 -6.972 13.544 1.00 0.00 O ATOM 1314 CB ARG A 80 4.618 -10.030 12.615 1.00 0.00 C ATOM 1315 CG ARG A 80 3.271 -9.435 12.995 1.00 0.00 C ATOM 1316 CD ARG A 80 2.135 -10.406 12.716 1.00 0.00 C ATOM 1317 NE ARG A 80 0.845 -9.880 13.158 1.00 0.00 N ATOM 1318 CZ ARG A 80 0.146 -8.978 12.477 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.611 -8.504 11.329 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -1.018 -8.548 12.945 1.00 0.00 N ATOM 0 H ARG A 80 5.624 -8.522 15.201 1.00 0.00 H new ATOM 0 HA ARG A 80 6.728 -9.817 12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.733 -9.985 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.632 -11.084 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.274 -9.171 14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.109 -8.513 12.437 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.093 -10.618 11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.334 -11.351 13.221 1.00 0.00 H new ATOM 0 HE ARG A 80 0.460 -10.224 14.038 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.507 -8.832 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.073 -7.812 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.377 -8.910 13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.554 -7.856 12.422 1.00 0.00 H new ATOM 1334 N ILE A 81 6.402 -7.639 11.635 1.00 0.00 N ATOM 1335 CA ILE A 81 6.510 -6.290 11.092 1.00 0.00 C ATOM 1336 C ILE A 81 5.605 -6.111 9.878 1.00 0.00 C ATOM 1337 O ILE A 81 5.592 -6.942 8.970 1.00 0.00 O ATOM 1338 CB ILE A 81 7.960 -5.960 10.689 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.843 -5.836 11.933 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.004 -4.677 9.872 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.317 -5.715 11.619 1.00 0.00 C ATOM 0 H ILE A 81 6.775 -8.369 11.029 1.00 0.00 H new ATOM 0 HA ILE A 81 6.195 -5.607 11.881 1.00 0.00 H new ATOM 0 HB ILE A 81 8.344 -6.773 10.073 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.529 -4.963 12.506 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.686 -6.708 12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.035 -4.457 9.595 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.404 -4.799 8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.604 -3.854 10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.881 -5.631 12.548 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.646 -6.599 11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.487 -4.828 11.009 1.00 0.00 H new ATOM 1353 N LYS A 82 4.848 -5.019 9.869 1.00 0.00 N ATOM 1354 CA LYS A 82 3.939 -4.727 8.766 1.00 0.00 C ATOM 1355 C LYS A 82 4.286 -3.392 8.114 1.00 0.00 C ATOM 1356 O LYS A 82 4.422 -2.375 8.795 1.00 0.00 O ATOM 1357 CB LYS A 82 2.492 -4.705 9.262 1.00 0.00 C ATOM 1358 CG LYS A 82 1.481 -5.120 8.207 1.00 0.00 C ATOM 1359 CD LYS A 82 0.257 -5.769 8.833 1.00 0.00 C ATOM 1360 CE LYS A 82 -0.916 -5.795 7.865 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.634 -6.647 6.676 1.00 0.00 N ATOM 0 H LYS A 82 4.846 -4.321 10.613 1.00 0.00 H new ATOM 0 HA LYS A 82 4.048 -5.514 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.401 -5.369 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.251 -3.700 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.176 -4.247 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.947 -5.816 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.500 -6.786 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.025 -5.224 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.802 -6.169 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.141 -4.779 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.481 -6.694 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.154 -6.238 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.378 -7.605 6.988 1.00 0.00 H new ATOM 1375 N VAL A 83 4.427 -3.402 6.792 1.00 0.00 N ATOM 1376 CA VAL A 83 4.755 -2.192 6.050 1.00 0.00 C ATOM 1377 C VAL A 83 3.818 -2.005 4.861 1.00 0.00 C ATOM 1378 O VAL A 83 3.645 -2.911 4.046 1.00 0.00 O ATOM 1379 CB VAL A 83 6.209 -2.221 5.542 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.526 -0.960 4.754 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.175 -2.389 6.705 1.00 0.00 C ATOM 0 H VAL A 83 4.319 -4.235 6.214 1.00 0.00 H new ATOM 0 HA VAL A 83 4.635 -1.356 6.740 1.00 0.00 H new ATOM 0 HB VAL A 83 6.325 -3.075 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.557 -0.999 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.855 -0.887 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.393 -0.088 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.198 -2.408 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.058 -1.556 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.962 -3.324 7.223 1.00 0.00 H new ATOM 1391 N SER A 84 3.216 -0.824 4.769 1.00 0.00 N ATOM 1392 CA SER A 84 2.293 -0.519 3.682 1.00 0.00 C ATOM 1393 C SER A 84 2.823 0.626 2.824 1.00 0.00 C ATOM 1394 O SER A 84 3.185 1.686 3.337 1.00 0.00 O ATOM 1395 CB SER A 84 0.915 -0.157 4.242 1.00 0.00 C ATOM 1396 OG SER A 84 0.113 -1.312 4.410 1.00 0.00 O ATOM 0 H SER A 84 3.351 -0.062 5.434 1.00 0.00 H new ATOM 0 HA SER A 84 2.202 -1.406 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.030 0.352 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.417 0.540 3.568 1.00 0.00 H new ATOM 0 HG SER A 84 -0.761 -1.054 4.770 1.00 0.00 H new ATOM 1402 N LEU A 85 2.867 0.404 1.516 1.00 0.00 N ATOM 1403 CA LEU A 85 3.353 1.415 0.584 1.00 0.00 C ATOM 1404 C LEU A 85 2.295 1.743 -0.465 1.00 0.00 C ATOM 1405 O LEU A 85 1.386 0.951 -0.713 1.00 0.00 O ATOM 1406 CB LEU A 85 4.633 0.934 -0.100 1.00 0.00 C ATOM 1407 CG LEU A 85 5.776 0.521 0.829 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.914 -0.099 0.032 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.271 1.716 1.629 1.00 0.00 C ATOM 0 H LEU A 85 2.572 -0.468 1.076 1.00 0.00 H new ATOM 0 HA LEU A 85 3.570 2.321 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.384 0.085 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.992 1.728 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 85 5.400 -0.227 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.718 -0.387 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.551 -0.981 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.290 0.626 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.084 1.404 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.630 2.487 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.454 2.115 2.230 1.00 0.00 H new ATOM 1421 N SER A 86 2.421 2.915 -1.080 1.00 0.00 N ATOM 1422 CA SER A 86 1.474 3.349 -2.101 1.00 0.00 C ATOM 1423 C SER A 86 2.207 3.849 -3.342 1.00 0.00 C ATOM 1424 O SER A 86 3.305 4.396 -3.251 1.00 0.00 O ATOM 1425 CB SER A 86 0.568 4.452 -1.551 1.00 0.00 C ATOM 1426 OG SER A 86 1.327 5.468 -0.920 1.00 0.00 O ATOM 0 H SER A 86 3.170 3.581 -0.889 1.00 0.00 H new ATOM 0 HA SER A 86 0.861 2.492 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.019 4.883 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.138 4.025 -0.838 1.00 0.00 H new ATOM 0 HG SER A 86 2.046 5.060 -0.393 1.00 0.00 H new ATOM 1432 N MET A 87 1.589 3.656 -4.503 1.00 0.00 N ATOM 1433 CA MET A 87 2.181 4.087 -5.764 1.00 0.00 C ATOM 1434 C MET A 87 1.269 5.076 -6.483 1.00 0.00 C ATOM 1435 O MET A 87 1.732 5.925 -7.245 1.00 0.00 O ATOM 1436 CB MET A 87 2.455 2.880 -6.664 1.00 0.00 C ATOM 1437 CG MET A 87 3.648 2.050 -6.220 1.00 0.00 C ATOM 1438 SD MET A 87 3.560 0.344 -6.797 1.00 0.00 S ATOM 1439 CE MET A 87 3.851 0.565 -8.550 1.00 0.00 C ATOM 0 H MET A 87 0.679 3.204 -4.596 1.00 0.00 H new ATOM 0 HA MET A 87 3.124 4.586 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.569 2.245 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.624 3.228 -7.683 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.564 2.509 -6.593 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.707 2.059 -5.132 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.986 0.210 -9.110 1.00 0.00 H new ATOM 0 HE2 MET A 87 4.011 1.622 -8.762 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.733 -0.002 -8.847 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.032 4.959 -6.237 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.011 5.842 -6.860 1.00 0.00 C ATOM 1451 C LYS A 88 -0.800 7.287 -6.418 1.00 0.00 C ATOM 1452 O LYS A 88 -1.158 8.224 -7.132 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.431 5.392 -6.508 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.778 5.566 -5.039 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.278 5.498 -4.809 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.694 6.319 -3.599 1.00 0.00 C ATOM 1457 NZ LYS A 88 -4.829 7.765 -3.928 1.00 0.00 N ATOM 0 H LYS A 88 -0.433 4.261 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.876 5.788 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.142 5.958 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.548 4.343 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.284 4.791 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.398 6.524 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.800 5.862 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.579 4.460 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.643 5.944 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.957 6.195 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.980 8.307 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.962 8.097 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.640 7.902 -4.565 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.217 7.459 -5.236 1.00 0.00 N ATOM 1472 CA VAL A 89 0.045 8.790 -4.700 1.00 0.00 C ATOM 1473 C VAL A 89 1.479 9.224 -4.981 1.00 0.00 C ATOM 1474 O VAL A 89 1.956 10.219 -4.436 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.208 8.843 -3.181 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.681 8.615 -2.877 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.659 7.820 -2.462 1.00 0.00 C ATOM 0 H VAL A 89 0.083 6.694 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.642 9.473 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 89 0.063 9.834 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.841 8.656 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.277 9.389 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.983 7.637 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.468 7.871 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.421 6.821 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.710 8.035 -2.654 1.00 0.00 H new ATOM 1487 N VAL A 90 2.163 8.470 -5.835 1.00 0.00 N ATOM 1488 CA VAL A 90 3.543 8.777 -6.191 1.00 0.00 C ATOM 1489 C VAL A 90 3.760 8.672 -7.696 1.00 0.00 C ATOM 1490 O VAL A 90 3.203 7.794 -8.353 1.00 0.00 O ATOM 1491 CB VAL A 90 4.531 7.836 -5.474 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.949 8.375 -5.573 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.123 7.644 -4.022 1.00 0.00 C ATOM 0 H VAL A 90 1.784 7.642 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 90 3.731 9.802 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 90 4.504 6.864 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.632 7.697 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.235 8.455 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.997 9.359 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.831 6.977 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.120 8.608 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.125 7.209 -3.979 1.00 0.00 H new ATOM 1503 N ASN A 91 4.573 9.574 -8.236 1.00 0.00 N ATOM 1504 CA ASN A 91 4.863 9.584 -9.666 1.00 0.00 C ATOM 1505 C ASN A 91 5.986 8.606 -9.998 1.00 0.00 C ATOM 1506 O ASN A 91 7.040 8.617 -9.363 1.00 0.00 O ATOM 1507 CB ASN A 91 5.247 10.993 -10.120 1.00 0.00 C ATOM 1508 CG ASN A 91 5.028 11.201 -11.606 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.530 10.438 -12.432 1.00 0.00 O ATOM 1510 ND2 ASN A 91 4.275 12.238 -11.954 1.00 0.00 N ATOM 0 H ASN A 91 5.043 10.308 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 91 3.964 9.272 -10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.660 11.724 -9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.295 11.176 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.093 12.428 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.879 12.844 -11.236 1.00 0.00 H new ATOM 1517 N GLN A 92 5.752 7.763 -10.999 1.00 0.00 N ATOM 1518 CA GLN A 92 6.745 6.779 -11.416 1.00 0.00 C ATOM 1519 C GLN A 92 7.679 7.363 -12.470 1.00 0.00 C ATOM 1520 O GLN A 92 7.889 6.767 -13.526 1.00 0.00 O ATOM 1521 CB GLN A 92 6.054 5.529 -11.964 1.00 0.00 C ATOM 1522 CG GLN A 92 5.361 4.699 -10.896 1.00 0.00 C ATOM 1523 CD GLN A 92 4.003 5.256 -10.515 1.00 0.00 C ATOM 1524 OE1 GLN A 92 3.175 5.547 -11.378 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.768 5.406 -9.216 1.00 0.00 N ATOM 0 H GLN A 92 4.885 7.741 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 92 7.338 6.504 -10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.320 5.828 -12.713 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.793 4.909 -12.472 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.243 3.677 -11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.993 4.654 -10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.484 5.151 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.872 5.776 -8.899 1.00 0.00 H new ATOM 1534 N GLY A 93 8.240 8.532 -12.176 1.00 0.00 N ATOM 1535 CA GLY A 93 9.146 9.177 -13.109 1.00 0.00 C ATOM 1536 C GLY A 93 10.023 10.217 -12.441 1.00 0.00 C ATOM 1537 O GLY A 93 11.202 10.348 -12.767 1.00 0.00 O ATOM 0 H GLY A 93 8.083 9.044 -11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.777 8.422 -13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.568 9.649 -13.904 1.00 0.00 H new ATOM 1541 N THR A 94 9.445 10.962 -11.503 1.00 0.00 N ATOM 1542 CA THR A 94 10.179 11.998 -10.790 1.00 0.00 C ATOM 1543 C THR A 94 10.194 11.729 -9.290 1.00 0.00 C ATOM 1544 O THR A 94 11.064 12.216 -8.570 1.00 0.00 O ATOM 1545 CB THR A 94 9.575 13.392 -11.044 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.244 13.451 -10.519 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.554 13.710 -12.531 1.00 0.00 C ATOM 0 H THR A 94 8.470 10.866 -11.220 1.00 0.00 H new ATOM 0 HA THR A 94 11.200 11.978 -11.170 1.00 0.00 H new ATOM 0 HB THR A 94 10.197 14.131 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.867 14.341 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.123 14.699 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.572 13.692 -12.921 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.952 12.967 -13.054 1.00 0.00 H new ATOM 1555 N GLY A 95 9.223 10.947 -8.824 1.00 0.00 N ATOM 1556 CA GLY A 95 9.144 10.626 -7.412 1.00 0.00 C ATOM 1557 C GLY A 95 8.532 11.747 -6.595 1.00 0.00 C ATOM 1558 O GLY A 95 8.851 11.915 -5.418 1.00 0.00 O ATOM 0 H GLY A 95 8.491 10.531 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.552 9.720 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.144 10.410 -7.035 1.00 0.00 H new ATOM 1562 N LYS A 96 7.651 12.520 -7.222 1.00 0.00 N ATOM 1563 CA LYS A 96 6.992 13.632 -6.546 1.00 0.00 C ATOM 1564 C LYS A 96 5.667 13.189 -5.935 1.00 0.00 C ATOM 1565 O LYS A 96 4.960 12.354 -6.499 1.00 0.00 O ATOM 1566 CB LYS A 96 6.754 14.782 -7.528 1.00 0.00 C ATOM 1567 CG LYS A 96 6.651 16.142 -6.859 1.00 0.00 C ATOM 1568 CD LYS A 96 8.014 16.799 -6.720 1.00 0.00 C ATOM 1569 CE LYS A 96 8.449 17.459 -8.019 1.00 0.00 C ATOM 1570 NZ LYS A 96 7.640 18.670 -8.325 1.00 0.00 N ATOM 0 H LYS A 96 7.377 12.397 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 96 7.645 13.976 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.568 14.804 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.837 14.590 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.993 16.786 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.197 16.031 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.981 17.544 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.751 16.052 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.502 17.733 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.357 16.745 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.133 19.246 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.711 18.383 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.510 19.229 -7.458 1.00 0.00 H new ATOM 1584 N ASP A 97 5.336 13.755 -4.780 1.00 0.00 N ATOM 1585 CA ASP A 97 4.094 13.420 -4.092 1.00 0.00 C ATOM 1586 C ASP A 97 2.890 13.989 -4.837 1.00 0.00 C ATOM 1587 O ASP A 97 2.674 15.202 -4.854 1.00 0.00 O ATOM 1588 CB ASP A 97 4.120 13.953 -2.658 1.00 0.00 C ATOM 1589 CG ASP A 97 3.168 13.204 -1.746 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.107 12.759 -2.232 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.484 13.064 -0.546 1.00 0.00 O ATOM 0 H ASP A 97 5.910 14.448 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 97 4.003 12.334 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.133 13.876 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.858 15.011 -2.662 1.00 0.00 H new ATOM 1596 N LEU A 98 2.112 13.107 -5.453 1.00 0.00 N ATOM 1597 CA LEU A 98 0.930 13.520 -6.201 1.00 0.00 C ATOM 1598 C LEU A 98 -0.220 13.861 -5.259 1.00 0.00 C ATOM 1599 O LEU A 98 -0.982 14.796 -5.505 1.00 0.00 O ATOM 1600 CB LEU A 98 0.501 12.416 -7.168 1.00 0.00 C ATOM 1601 CG LEU A 98 1.548 11.977 -8.193 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.044 10.789 -8.997 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.908 13.133 -9.114 1.00 0.00 C ATOM 0 H LEU A 98 2.278 12.101 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 98 1.186 14.413 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.205 11.544 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.385 12.755 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 98 2.447 11.671 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.803 10.491 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.837 9.956 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.130 11.067 -9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.654 12.803 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.015 13.470 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.313 13.956 -8.524 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.338 13.098 -4.178 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.393 13.320 -3.196 1.00 0.00 C ATOM 1617 C ASP A 99 -0.802 13.675 -1.834 1.00 0.00 C ATOM 1618 O ASP A 99 -0.765 12.857 -0.914 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.276 12.078 -3.074 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.437 12.095 -4.049 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.956 13.195 -4.333 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.827 11.010 -4.528 1.00 0.00 O ATOM 0 H ASP A 99 0.284 12.320 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.002 14.157 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.672 11.188 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.661 12.008 -2.057 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.327 14.922 -1.702 1.00 0.00 N ATOM 1628 CA PRO A 100 0.271 15.413 -0.457 1.00 0.00 C ATOM 1629 C PRO A 100 -0.759 15.581 0.654 1.00 0.00 C ATOM 1630 O PRO A 100 -0.406 15.786 1.816 1.00 0.00 O ATOM 1631 CB PRO A 100 0.855 16.770 -0.855 1.00 0.00 C ATOM 1632 CG PRO A 100 0.039 17.206 -2.023 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.338 15.950 -2.756 1.00 0.00 C ATOM 0 HA PRO A 100 1.009 14.717 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.787 17.486 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.909 16.685 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.848 17.750 -1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.607 17.878 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.319 16.036 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.373 15.719 -3.549 1.00 0.00 H new ATOM 1641 N ASN A 101 -2.034 15.495 0.291 1.00 0.00 N ATOM 1642 CA ASN A 101 -3.116 15.639 1.258 1.00 0.00 C ATOM 1643 C ASN A 101 -3.183 14.427 2.184 1.00 0.00 C ATOM 1644 O ASN A 101 -3.515 14.551 3.362 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.454 15.817 0.536 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.614 17.207 -0.049 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -4.095 18.184 0.492 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.335 17.302 -1.160 1.00 0.00 N ATOM 0 H ASN A 101 -2.344 15.326 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.915 16.525 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.535 15.078 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.269 15.623 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.477 18.211 -1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.747 16.466 -1.574 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.866 13.257 1.641 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.889 12.022 2.417 1.00 0.00 C ATOM 1657 C ASN A 102 -4.261 11.802 3.047 1.00 0.00 C ATOM 1658 O ASN A 102 -4.368 11.336 4.181 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.815 12.061 3.507 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.527 12.699 3.028 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.222 12.106 2.253 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.263 13.917 3.488 1.00 0.00 N ATOM 0 H ASN A 102 -2.590 13.137 0.666 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.682 11.192 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.194 12.615 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.610 11.046 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.589 14.397 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.913 14.372 4.130 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.308 12.138 2.301 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.675 11.976 2.784 1.00 0.00 C ATOM 1671 C VAL A 103 -7.335 10.749 2.164 1.00 0.00 C ATOM 1672 O VAL A 103 -8.298 10.208 2.708 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.532 13.217 2.473 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.626 13.439 0.972 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -8.916 13.076 3.088 1.00 0.00 C ATOM 0 H VAL A 103 -5.236 12.524 1.360 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.615 11.847 3.865 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.051 14.089 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.235 14.320 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.627 13.588 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.083 12.568 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.508 13.962 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.408 12.194 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.825 12.971 4.169 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.809 10.313 1.025 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.345 9.148 0.332 1.00 0.00 C ATOM 1687 C ILE A 104 -6.932 7.855 1.028 1.00 0.00 C ATOM 1688 O ILE A 104 -7.761 6.980 1.277 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.877 9.100 -1.134 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.323 10.361 -1.877 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.417 7.855 -1.823 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.325 11.495 -1.796 1.00 0.00 C ATOM 0 H ILE A 104 -6.012 10.749 0.562 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.431 9.240 0.356 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.788 9.057 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.496 10.114 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.276 10.696 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.077 7.836 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -7.054 6.967 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.507 7.869 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.707 12.356 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.170 11.769 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.378 11.178 -2.232 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.645 7.743 1.340 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.123 6.559 2.011 1.00 0.00 C ATOM 1706 C ILE A 105 -5.890 6.272 3.298 1.00 0.00 C ATOM 1707 O ILE A 105 -5.914 5.139 3.777 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.627 6.714 2.343 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.431 7.758 3.444 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.845 7.099 1.096 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.493 7.181 4.841 1.00 0.00 C ATOM 0 H ILE A 105 -4.945 8.457 1.139 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.250 5.724 1.321 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.250 5.757 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.466 8.246 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.196 8.528 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.790 7.205 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.962 6.323 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.222 8.045 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.346 7.977 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.467 6.718 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.711 6.431 4.960 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.517 7.306 3.849 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.286 7.164 5.080 1.00 0.00 C ATOM 1725 C GLU A 106 -8.479 6.236 4.872 1.00 0.00 C ATOM 1726 O GLU A 106 -9.346 6.500 4.038 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.769 8.532 5.566 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.423 8.494 6.938 1.00 0.00 C ATOM 1729 CD GLU A 106 -8.753 9.877 7.464 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -9.658 10.527 6.901 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.106 10.309 8.442 1.00 0.00 O ATOM 0 H GLU A 106 -6.508 8.250 3.463 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.635 6.726 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.922 9.218 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.480 8.934 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.337 7.902 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.758 7.991 7.640 1.00 0.00 H new