USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 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 76 GLN : amide:sc= -7.78! C(o=-10!,f=-25!) USER MOD Set 1.2: A 77 ASN : amide:sc= -2.68! C(o=-10!,f=-13!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -122:sc= 0.0318 (180deg=0) USER MOD Set 2.2: A 55 TYR OH : rot 121:sc= -0.869 USER MOD Set 3.1: A 30 ASN : amide:sc= -1.13 K(o=-5.6,f=-5) USER MOD Set 3.2: A 35 ASN : amide:sc= -4.49 K(o=-5.6,f=-15!) USER MOD Set 4.1: A 24 ASN : amide:sc= -0.489 K(o=-0.79,f=-0.063) USER MOD Set 4.2: A 41 MET CE :methyl -145:sc= -0.303 (180deg=-0.729) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -123:sc= 0.904 USER MOD Single : A 59 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-4.4!) USER MOD Single : A 62 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.17 USER MOD Single : A 67 SER OG : rot 32:sc= 0.817 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00793 K(o=-0.0079,f=-1.5) USER MOD Single : A 88 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-2.9!) USER MOD Single : A 89 ASN : amide:sc= -2.07 K(o=-2.1,f=0.21) USER MOD Single : A 91 THR OG1 : rot 35:sc= 0.284 USER MOD Single : A 92 CYS SG : rot 40:sc= 0.406 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 150:sc= -0.924 USER MOD Single : A 108 SER OG : rot -140:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.363 7.058 9.892 1.00 0.00 N ATOM 200 CA ALA A 17 -13.260 6.444 9.163 1.00 0.00 C ATOM 201 C ALA A 17 -11.994 7.287 9.272 1.00 0.00 C ATOM 202 O ALA A 17 -12.042 8.498 9.490 1.00 0.00 O ATOM 203 CB ALA A 17 -13.639 6.243 7.703 1.00 0.00 C ATOM 0 HA ALA A 17 -13.057 5.471 9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.806 5.784 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.512 5.594 7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.871 7.207 7.251 1.00 0.00 H new ATOM 209 N PRO A 18 -10.832 6.634 9.117 1.00 0.00 N ATOM 210 CA PRO A 18 -9.531 7.304 9.194 1.00 0.00 C ATOM 211 C PRO A 18 -9.283 8.227 8.006 1.00 0.00 C ATOM 212 O PRO A 18 -8.723 7.812 6.991 1.00 0.00 O ATOM 213 CB PRO A 18 -8.533 6.144 9.187 1.00 0.00 C ATOM 214 CG PRO A 18 -9.248 5.034 8.497 1.00 0.00 C ATOM 215 CD PRO A 18 -10.700 5.191 8.855 1.00 0.00 C ATOM 0 HA PRO A 18 -9.454 7.945 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.617 6.413 8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.247 5.861 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.104 5.088 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.869 4.065 8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.351 4.869 8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.965 4.598 9.730 1.00 0.00 H new ATOM 223 N SER A 19 -9.703 9.481 8.139 1.00 0.00 N ATOM 224 CA SER A 19 -9.529 10.463 7.074 1.00 0.00 C ATOM 225 C SER A 19 -8.104 11.007 7.064 1.00 0.00 C ATOM 226 O SER A 19 -7.887 12.211 6.924 1.00 0.00 O ATOM 227 CB SER A 19 -10.525 11.612 7.243 1.00 0.00 C ATOM 228 OG SER A 19 -11.777 11.292 6.661 1.00 0.00 O ATOM 0 H SER A 19 -10.166 9.841 8.973 1.00 0.00 H new ATOM 0 HA SER A 19 -9.716 9.967 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.658 11.829 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.126 12.515 6.780 1.00 0.00 H new ATOM 0 HG SER A 19 -12.396 12.042 6.784 1.00 0.00 H new ATOM 234 N VAL A 20 -7.134 10.110 7.213 1.00 0.00 N ATOM 235 CA VAL A 20 -5.728 10.498 7.220 1.00 0.00 C ATOM 236 C VAL A 20 -4.833 9.329 6.826 1.00 0.00 C ATOM 237 O VAL A 20 -5.121 8.177 7.149 1.00 0.00 O ATOM 238 CB VAL A 20 -5.296 11.017 8.605 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.109 12.242 8.994 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.435 9.921 9.651 1.00 0.00 C ATOM 0 H VAL A 20 -7.296 9.110 7.330 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.617 11.299 6.489 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.247 11.308 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.790 12.594 9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.954 13.030 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.167 11.981 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.126 10.305 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.474 9.597 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.805 9.075 9.377 1.00 0.00 H new ATOM 250 N ALA A 21 -3.746 9.634 6.125 1.00 0.00 N ATOM 251 CA ALA A 21 -2.807 8.609 5.688 1.00 0.00 C ATOM 252 C ALA A 21 -1.537 8.631 6.533 1.00 0.00 C ATOM 253 O ALA A 21 -1.297 9.555 7.310 1.00 0.00 O ATOM 254 CB ALA A 21 -2.467 8.797 4.216 1.00 0.00 C ATOM 0 H ALA A 21 -3.494 10.583 5.848 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.282 7.637 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.765 8.024 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.377 8.723 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.016 9.778 4.069 1.00 0.00 H new ATOM 260 N PRO A 22 -0.705 7.591 6.379 1.00 0.00 N ATOM 261 CA PRO A 22 0.554 7.468 7.120 1.00 0.00 C ATOM 262 C PRO A 22 1.592 8.491 6.672 1.00 0.00 C ATOM 263 O PRO A 22 1.557 8.972 5.539 1.00 0.00 O ATOM 264 CB PRO A 22 1.024 6.049 6.789 1.00 0.00 C ATOM 265 CG PRO A 22 0.395 5.739 5.475 1.00 0.00 C ATOM 266 CD PRO A 22 -0.928 6.454 5.469 1.00 0.00 C ATOM 0 HA PRO A 22 0.419 7.649 8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.111 5.996 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.711 5.339 7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.025 6.077 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.258 4.665 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.200 6.788 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.734 5.810 5.820 1.00 0.00 H new ATOM 274 N LEU A 23 2.517 8.819 7.568 1.00 0.00 N ATOM 275 CA LEU A 23 3.567 9.786 7.264 1.00 0.00 C ATOM 276 C LEU A 23 4.883 9.080 6.954 1.00 0.00 C ATOM 277 O LEU A 23 4.943 7.852 6.903 1.00 0.00 O ATOM 278 CB LEU A 23 3.756 10.748 8.438 1.00 0.00 C ATOM 279 CG LEU A 23 2.512 11.031 9.281 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.381 10.009 10.399 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.562 12.442 9.849 1.00 0.00 C ATOM 0 H LEU A 23 2.561 8.430 8.510 1.00 0.00 H new ATOM 0 HA LEU A 23 3.263 10.352 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.529 10.344 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.130 11.695 8.049 1.00 0.00 H new ATOM 0 HG LEU A 23 1.635 10.950 8.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.490 10.226 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.298 9.010 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.261 10.057 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.669 12.626 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.447 12.550 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.607 13.162 9.032 1.00 0.00 H new ATOM 293 N ASN A 24 5.935 9.865 6.748 1.00 0.00 N ATOM 294 CA ASN A 24 7.251 9.316 6.444 1.00 0.00 C ATOM 295 C ASN A 24 7.154 8.231 5.375 1.00 0.00 C ATOM 296 O ASN A 24 7.901 7.252 5.399 1.00 0.00 O ATOM 297 CB ASN A 24 7.893 8.744 7.710 1.00 0.00 C ATOM 298 CG ASN A 24 8.729 9.771 8.449 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.816 9.467 8.940 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.222 10.996 8.532 1.00 0.00 N ATOM 0 H ASN A 24 5.902 10.884 6.786 1.00 0.00 H new ATOM 0 HA ASN A 24 7.875 10.124 6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.113 8.370 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.520 7.893 7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.738 11.730 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.317 11.203 8.110 1.00 0.00 H new ATOM 307 N VAL A 25 6.230 8.413 4.438 1.00 0.00 N ATOM 308 CA VAL A 25 6.035 7.452 3.359 1.00 0.00 C ATOM 309 C VAL A 25 7.225 7.448 2.406 1.00 0.00 C ATOM 310 O VAL A 25 7.432 8.398 1.649 1.00 0.00 O ATOM 311 CB VAL A 25 4.753 7.754 2.561 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.598 6.776 1.407 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.536 7.712 3.474 1.00 0.00 C ATOM 0 H VAL A 25 5.604 9.218 4.404 1.00 0.00 H new ATOM 0 HA VAL A 25 5.941 6.470 3.823 1.00 0.00 H new ATOM 0 HB VAL A 25 4.833 8.758 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.686 7.006 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.456 6.860 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.540 5.760 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.639 7.928 2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.450 6.721 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.646 8.457 4.262 1.00 0.00 H new ATOM 323 N THR A 26 8.005 6.372 2.445 1.00 0.00 N ATOM 324 CA THR A 26 9.175 6.244 1.586 1.00 0.00 C ATOM 325 C THR A 26 9.273 4.842 0.996 1.00 0.00 C ATOM 326 O THR A 26 8.752 3.881 1.562 1.00 0.00 O ATOM 327 CB THR A 26 10.473 6.558 2.353 1.00 0.00 C ATOM 328 OG1 THR A 26 10.450 5.921 3.636 1.00 0.00 O ATOM 329 CG2 THR A 26 10.648 8.058 2.530 1.00 0.00 C ATOM 0 H THR A 26 7.847 5.576 3.063 1.00 0.00 H new ATOM 0 HA THR A 26 9.055 6.967 0.779 1.00 0.00 H new ATOM 0 HB THR A 26 11.313 6.176 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.279 6.124 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.572 8.255 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.694 8.537 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.804 8.459 3.091 1.00 0.00 H new ATOM 337 N VAL A 27 9.945 4.731 -0.146 1.00 0.00 N ATOM 338 CA VAL A 27 10.113 3.445 -0.812 1.00 0.00 C ATOM 339 C VAL A 27 11.501 3.323 -1.429 1.00 0.00 C ATOM 340 O VAL A 27 11.940 4.198 -2.176 1.00 0.00 O ATOM 341 CB VAL A 27 9.054 3.240 -1.912 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.295 1.931 -2.648 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.654 3.278 -1.318 1.00 0.00 C ATOM 0 H VAL A 27 10.382 5.516 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 27 9.988 2.675 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 27 9.140 4.054 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.537 1.803 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.283 1.949 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.238 1.101 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.919 3.132 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.552 2.486 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.487 4.244 -0.842 1.00 0.00 H new ATOM 353 N PHE A 28 12.190 2.231 -1.112 1.00 0.00 N ATOM 354 CA PHE A 28 13.530 1.994 -1.635 1.00 0.00 C ATOM 355 C PHE A 28 13.552 0.763 -2.536 1.00 0.00 C ATOM 356 O PHE A 28 12.759 -0.163 -2.362 1.00 0.00 O ATOM 357 CB PHE A 28 14.525 1.817 -0.486 1.00 0.00 C ATOM 358 CG PHE A 28 15.154 3.103 -0.033 1.00 0.00 C ATOM 359 CD1 PHE A 28 14.369 4.150 0.424 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.529 3.266 -0.065 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.945 5.335 0.842 1.00 0.00 C ATOM 362 CE2 PHE A 28 17.110 4.449 0.352 1.00 0.00 C ATOM 363 CZ PHE A 28 16.317 5.485 0.805 1.00 0.00 C ATOM 0 H PHE A 28 11.842 1.497 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 28 13.821 2.862 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 28 14.014 1.355 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.310 1.129 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.295 4.039 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 28 17.154 2.460 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.322 6.143 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 28 18.184 4.563 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.769 6.411 1.130 1.00 0.00 H new ATOM 373 N LEU A 29 14.466 0.760 -3.501 1.00 0.00 N ATOM 374 CA LEU A 29 14.593 -0.356 -4.431 1.00 0.00 C ATOM 375 C LEU A 29 15.913 -1.091 -4.224 1.00 0.00 C ATOM 376 O LEU A 29 16.965 -0.469 -4.081 1.00 0.00 O ATOM 377 CB LEU A 29 14.495 0.143 -5.874 1.00 0.00 C ATOM 378 CG LEU A 29 14.990 -0.821 -6.953 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.932 -1.870 -7.256 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.367 -0.060 -8.216 1.00 0.00 C ATOM 0 H LEU A 29 15.130 1.518 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 29 13.777 -1.052 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.453 0.387 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.062 1.070 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 29 15.880 -1.329 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.301 -2.547 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.711 -2.436 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.024 -1.380 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.717 -0.762 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.495 0.475 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.159 0.653 -7.988 1.00 0.00 H new ATOM 392 N ASN A 30 15.850 -2.418 -4.211 1.00 0.00 N ATOM 393 CA ASN A 30 17.041 -3.238 -4.023 1.00 0.00 C ATOM 394 C ASN A 30 17.526 -3.807 -5.353 1.00 0.00 C ATOM 395 O ASN A 30 16.841 -4.613 -5.981 1.00 0.00 O ATOM 396 CB ASN A 30 16.752 -4.378 -3.044 1.00 0.00 C ATOM 397 CG ASN A 30 16.915 -3.953 -1.597 1.00 0.00 C ATOM 398 OD1 ASN A 30 16.610 -2.817 -1.234 1.00 0.00 O ATOM 399 ND2 ASN A 30 17.400 -4.867 -0.764 1.00 0.00 N ATOM 0 H ASN A 30 14.987 -2.949 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 30 17.826 -2.604 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.736 -4.740 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.423 -5.211 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.533 -4.639 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.639 -5.796 -1.110 1.00 0.00 H new ATOM 406 N GLU A 31 18.712 -3.380 -5.776 1.00 0.00 N ATOM 407 CA GLU A 31 19.288 -3.846 -7.031 1.00 0.00 C ATOM 408 C GLU A 31 19.814 -5.272 -6.892 1.00 0.00 C ATOM 409 O GLU A 31 19.685 -6.085 -7.808 1.00 0.00 O ATOM 410 CB GLU A 31 20.418 -2.916 -7.477 1.00 0.00 C ATOM 411 CG GLU A 31 19.958 -1.498 -7.772 1.00 0.00 C ATOM 412 CD GLU A 31 21.072 -0.624 -8.316 1.00 0.00 C ATOM 413 OE1 GLU A 31 21.272 -0.618 -9.549 1.00 0.00 O ATOM 414 OE2 GLU A 31 21.744 0.052 -7.509 1.00 0.00 O ATOM 0 H GLU A 31 19.292 -2.712 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 31 18.502 -3.838 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.182 -2.887 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.887 -3.330 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.140 -1.528 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.563 -1.051 -6.860 1.00 0.00 H new ATOM 421 N SER A 32 20.408 -5.568 -5.740 1.00 0.00 N ATOM 422 CA SER A 32 20.957 -6.894 -5.482 1.00 0.00 C ATOM 423 C SER A 32 19.843 -7.928 -5.355 1.00 0.00 C ATOM 424 O SER A 32 20.003 -9.081 -5.758 1.00 0.00 O ATOM 425 CB SER A 32 21.803 -6.879 -4.207 1.00 0.00 C ATOM 426 OG SER A 32 22.844 -7.837 -4.275 1.00 0.00 O ATOM 0 H SER A 32 20.521 -4.908 -4.971 1.00 0.00 H new ATOM 0 HA SER A 32 21.589 -7.169 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.227 -5.886 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.170 -7.086 -3.344 1.00 0.00 H new ATOM 0 HG SER A 32 23.371 -7.806 -3.449 1.00 0.00 H new ATOM 432 N SER A 33 18.715 -7.508 -4.793 1.00 0.00 N ATOM 433 CA SER A 33 17.575 -8.398 -4.609 1.00 0.00 C ATOM 434 C SER A 33 16.289 -7.743 -5.104 1.00 0.00 C ATOM 435 O SER A 33 16.023 -6.576 -4.815 1.00 0.00 O ATOM 436 CB SER A 33 17.431 -8.780 -3.135 1.00 0.00 C ATOM 437 OG SER A 33 18.546 -9.535 -2.693 1.00 0.00 O ATOM 0 H SER A 33 18.566 -6.557 -4.457 1.00 0.00 H new ATOM 0 HA SER A 33 17.752 -9.300 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.335 -7.878 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.517 -9.357 -2.993 1.00 0.00 H new ATOM 0 HG SER A 33 18.431 -9.765 -1.747 1.00 0.00 H new ATOM 443 N ASP A 34 15.495 -8.502 -5.851 1.00 0.00 N ATOM 444 CA ASP A 34 14.236 -7.997 -6.386 1.00 0.00 C ATOM 445 C ASP A 34 13.223 -7.770 -5.268 1.00 0.00 C ATOM 446 O ASP A 34 12.312 -8.573 -5.070 1.00 0.00 O ATOM 447 CB ASP A 34 13.666 -8.973 -7.416 1.00 0.00 C ATOM 448 CG ASP A 34 14.239 -8.751 -8.802 1.00 0.00 C ATOM 449 OD1 ASP A 34 15.456 -8.491 -8.907 1.00 0.00 O ATOM 450 OD2 ASP A 34 13.471 -8.839 -9.782 1.00 0.00 O ATOM 0 H ASP A 34 15.701 -9.469 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 34 14.434 -7.042 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.875 -9.995 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.582 -8.866 -7.453 1.00 0.00 H new ATOM 455 N ASN A 35 13.389 -6.671 -4.539 1.00 0.00 N ATOM 456 CA ASN A 35 12.490 -6.339 -3.440 1.00 0.00 C ATOM 457 C ASN A 35 12.389 -4.828 -3.257 1.00 0.00 C ATOM 458 O ASN A 35 13.366 -4.102 -3.443 1.00 0.00 O ATOM 459 CB ASN A 35 12.975 -6.989 -2.143 1.00 0.00 C ATOM 460 CG ASN A 35 14.253 -6.360 -1.623 1.00 0.00 C ATOM 461 OD1 ASN A 35 14.318 -5.150 -1.405 1.00 0.00 O ATOM 462 ND2 ASN A 35 15.277 -7.181 -1.422 1.00 0.00 N ATOM 0 H ASN A 35 14.138 -5.995 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 35 11.500 -6.725 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.197 -6.904 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.140 -8.053 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.163 -6.815 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.178 -8.177 -1.616 1.00 0.00 H new ATOM 469 N VAL A 36 11.200 -4.359 -2.892 1.00 0.00 N ATOM 470 CA VAL A 36 10.971 -2.935 -2.682 1.00 0.00 C ATOM 471 C VAL A 36 10.706 -2.632 -1.211 1.00 0.00 C ATOM 472 O VAL A 36 9.646 -2.962 -0.680 1.00 0.00 O ATOM 473 CB VAL A 36 9.783 -2.428 -3.521 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.535 -0.950 -3.257 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.031 -2.679 -5.001 1.00 0.00 C ATOM 0 H VAL A 36 10.380 -4.945 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 36 11.877 -2.419 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 36 8.890 -2.980 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.692 -0.609 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.311 -0.802 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.425 -0.379 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.182 -2.315 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.934 -2.154 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.155 -3.748 -5.173 1.00 0.00 H new ATOM 485 N ASP A 37 11.676 -2.001 -0.559 1.00 0.00 N ATOM 486 CA ASP A 37 11.548 -1.651 0.851 1.00 0.00 C ATOM 487 C ASP A 37 10.505 -0.555 1.046 1.00 0.00 C ATOM 488 O ASP A 37 10.443 0.400 0.271 1.00 0.00 O ATOM 489 CB ASP A 37 12.897 -1.195 1.410 1.00 0.00 C ATOM 490 CG ASP A 37 13.037 -1.483 2.891 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.408 -2.450 3.370 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.776 -0.742 3.572 1.00 0.00 O ATOM 0 H ASP A 37 12.560 -1.721 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 37 11.221 -2.539 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.699 -1.696 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.015 -0.125 1.238 1.00 0.00 H new ATOM 497 N ILE A 38 9.689 -0.700 2.084 1.00 0.00 N ATOM 498 CA ILE A 38 8.649 0.278 2.380 1.00 0.00 C ATOM 499 C ILE A 38 8.592 0.584 3.873 1.00 0.00 C ATOM 500 O ILE A 38 8.533 -0.324 4.702 1.00 0.00 O ATOM 501 CB ILE A 38 7.266 -0.213 1.915 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.349 -0.770 0.492 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.250 0.917 1.989 1.00 0.00 C ATOM 504 CD1 ILE A 38 6.339 -1.859 0.209 1.00 0.00 C ATOM 0 H ILE A 38 9.728 -1.485 2.734 1.00 0.00 H new ATOM 0 HA ILE A 38 8.905 1.186 1.835 1.00 0.00 H new ATOM 0 HB ILE A 38 6.939 -1.013 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.201 0.044 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.352 -1.163 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.277 0.554 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.174 1.271 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.570 1.737 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.456 -2.206 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.500 -2.691 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.332 -1.466 0.346 1.00 0.00 H new ATOM 516 N ARG A 39 8.610 1.870 4.208 1.00 0.00 N ATOM 517 CA ARG A 39 8.559 2.297 5.601 1.00 0.00 C ATOM 518 C ARG A 39 7.667 3.524 5.762 1.00 0.00 C ATOM 519 O ARG A 39 7.708 4.445 4.946 1.00 0.00 O ATOM 520 CB ARG A 39 9.967 2.607 6.113 1.00 0.00 C ATOM 521 CG ARG A 39 10.009 2.995 7.582 1.00 0.00 C ATOM 522 CD ARG A 39 9.727 4.476 7.776 1.00 0.00 C ATOM 523 NE ARG A 39 10.275 4.979 9.033 1.00 0.00 N ATOM 524 CZ ARG A 39 11.569 5.208 9.231 1.00 0.00 C ATOM 525 NH1 ARG A 39 12.442 4.981 8.259 1.00 0.00 N ATOM 526 NH2 ARG A 39 11.991 5.665 10.403 1.00 0.00 N ATOM 0 H ARG A 39 8.660 2.634 3.534 1.00 0.00 H new ATOM 0 HA ARG A 39 8.136 1.482 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.601 1.734 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.390 3.418 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.276 2.409 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.988 2.753 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.153 5.038 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.650 4.645 7.757 1.00 0.00 H new ATOM 0 HE ARG A 39 9.629 5.165 9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.121 4.630 7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.435 5.158 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.322 5.841 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.984 5.841 10.554 1.00 0.00 H new ATOM 540 N TRP A 40 6.861 3.529 6.818 1.00 0.00 N ATOM 541 CA TRP A 40 5.958 4.643 7.085 1.00 0.00 C ATOM 542 C TRP A 40 5.859 4.917 8.581 1.00 0.00 C ATOM 543 O TRP A 40 6.550 4.290 9.383 1.00 0.00 O ATOM 544 CB TRP A 40 4.569 4.348 6.515 1.00 0.00 C ATOM 545 CG TRP A 40 3.986 3.058 7.007 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.151 2.891 8.075 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.197 1.755 6.452 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.830 1.563 8.217 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.458 0.845 7.233 1.00 0.00 C ATOM 550 CE3 TRP A 40 4.936 1.269 5.371 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.440 -0.521 6.966 1.00 0.00 C ATOM 552 CZ3 TRP A 40 4.917 -0.087 5.107 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.173 -0.969 5.901 1.00 0.00 C ATOM 0 H TRP A 40 6.814 2.775 7.503 1.00 0.00 H new ATOM 0 HA TRP A 40 6.362 5.531 6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.896 5.165 6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.629 4.319 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.796 3.686 8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.222 1.174 8.938 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.512 1.941 4.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.868 -1.203 7.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.486 -0.474 4.274 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.178 -2.024 5.668 1.00 0.00 H new ATOM 564 N MET A 41 4.995 5.857 8.951 1.00 0.00 N ATOM 565 CA MET A 41 4.806 6.212 10.352 1.00 0.00 C ATOM 566 C MET A 41 3.326 6.192 10.723 1.00 0.00 C ATOM 567 O MET A 41 2.457 6.181 9.851 1.00 0.00 O ATOM 568 CB MET A 41 5.396 7.595 10.635 1.00 0.00 C ATOM 569 CG MET A 41 6.852 7.557 11.067 1.00 0.00 C ATOM 570 SD MET A 41 7.288 8.924 12.159 1.00 0.00 S ATOM 571 CE MET A 41 6.529 10.300 11.300 1.00 0.00 C ATOM 0 H MET A 41 4.415 6.386 8.300 1.00 0.00 H new ATOM 0 HA MET A 41 5.326 5.472 10.961 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.307 8.209 9.739 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.807 8.080 11.413 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.052 6.613 11.575 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.490 7.585 10.184 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.149 11.189 11.418 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.436 10.061 10.241 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.540 10.489 11.718 1.00 0.00 H new ATOM 581 N LYS A 42 3.046 6.187 12.022 1.00 0.00 N ATOM 582 CA LYS A 42 1.672 6.169 12.509 1.00 0.00 C ATOM 583 C LYS A 42 1.055 7.563 12.447 1.00 0.00 C ATOM 584 O LYS A 42 1.655 8.553 12.865 1.00 0.00 O ATOM 585 CB LYS A 42 1.625 5.642 13.945 1.00 0.00 C ATOM 586 CG LYS A 42 1.406 4.142 14.036 1.00 0.00 C ATOM 587 CD LYS A 42 2.683 3.374 13.739 1.00 0.00 C ATOM 588 CE LYS A 42 2.689 2.017 14.426 1.00 0.00 C ATOM 589 NZ LYS A 42 1.866 1.018 13.688 1.00 0.00 N ATOM 0 H LYS A 42 3.753 6.195 12.757 1.00 0.00 H new ATOM 0 HA LYS A 42 1.093 5.506 11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.559 5.895 14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.826 6.151 14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.049 3.885 15.033 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.629 3.843 13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.785 3.239 12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.544 3.955 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.714 1.655 14.506 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.308 2.122 15.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.124 0.647 14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.426 1.473 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.473 0.236 13.370 1.00 0.00 H new ATOM 603 N PRO A 43 -0.174 7.644 11.915 1.00 0.00 N ATOM 604 CA PRO A 43 -0.899 8.911 11.787 1.00 0.00 C ATOM 605 C PRO A 43 -1.341 9.464 13.138 1.00 0.00 C ATOM 606 O PRO A 43 -1.305 8.777 14.159 1.00 0.00 O ATOM 607 CB PRO A 43 -2.117 8.539 10.937 1.00 0.00 C ATOM 608 CG PRO A 43 -2.320 7.084 11.184 1.00 0.00 C ATOM 609 CD PRO A 43 -0.949 6.504 11.396 1.00 0.00 C ATOM 0 HA PRO A 43 -0.279 9.693 11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.994 9.116 11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.939 8.740 9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.952 6.921 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.817 6.610 10.338 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.968 5.675 12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.527 6.120 10.467 1.00 0.00 H new ATOM 617 N PRO A 44 -1.770 10.735 13.147 1.00 0.00 N ATOM 618 CA PRO A 44 -2.228 11.407 14.366 1.00 0.00 C ATOM 619 C PRO A 44 -3.557 10.853 14.869 1.00 0.00 C ATOM 620 O PRO A 44 -4.127 11.359 15.836 1.00 0.00 O ATOM 621 CB PRO A 44 -2.388 12.865 13.928 1.00 0.00 C ATOM 622 CG PRO A 44 -2.627 12.796 12.459 1.00 0.00 C ATOM 623 CD PRO A 44 -1.840 11.613 11.967 1.00 0.00 C ATOM 0 HA PRO A 44 -1.532 11.270 15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.221 13.344 14.442 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.495 13.447 14.157 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.688 12.676 12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.302 13.713 11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.335 11.122 11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.847 11.905 11.624 1.00 0.00 H new ATOM 735 N LEU A 52 -5.854 2.274 15.203 1.00 0.00 N ATOM 736 CA LEU A 52 -5.302 1.662 14.000 1.00 0.00 C ATOM 737 C LEU A 52 -5.124 0.158 14.186 1.00 0.00 C ATOM 738 O LEU A 52 -4.533 -0.291 15.168 1.00 0.00 O ATOM 739 CB LEU A 52 -3.960 2.306 13.646 1.00 0.00 C ATOM 740 CG LEU A 52 -3.143 1.602 12.561 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.300 2.607 11.792 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.263 0.522 13.173 1.00 0.00 C ATOM 0 HA LEU A 52 -6.004 1.828 13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.145 3.331 13.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.355 2.359 14.551 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.833 1.128 11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.726 2.088 11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.951 3.344 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.618 3.110 12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.689 0.032 12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.580 0.974 13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.888 -0.214 13.678 1.00 0.00 H new ATOM 754 N VAL A 53 -5.638 -0.615 13.235 1.00 0.00 N ATOM 755 CA VAL A 53 -5.534 -2.068 13.292 1.00 0.00 C ATOM 756 C VAL A 53 -4.650 -2.600 12.170 1.00 0.00 C ATOM 757 O VAL A 53 -4.404 -3.802 12.075 1.00 0.00 O ATOM 758 CB VAL A 53 -6.919 -2.735 13.199 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.799 -2.302 14.362 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.579 -2.407 11.869 1.00 0.00 C ATOM 0 H VAL A 53 -6.131 -0.259 12.416 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.084 -2.315 14.254 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.788 -3.816 13.257 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.774 -2.783 14.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.329 -2.592 15.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.926 -1.220 14.339 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.557 -2.886 11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.699 -1.327 11.779 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.955 -2.772 11.053 1.00 0.00 H new ATOM 770 N GLY A 54 -4.173 -1.696 11.320 1.00 0.00 N ATOM 771 CA GLY A 54 -3.321 -2.093 10.214 1.00 0.00 C ATOM 772 C GLY A 54 -3.274 -1.050 9.115 1.00 0.00 C ATOM 773 O GLY A 54 -3.808 0.048 9.268 1.00 0.00 O ATOM 0 H GLY A 54 -4.361 -0.695 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.311 -2.273 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.682 -3.035 9.801 1.00 0.00 H new ATOM 777 N TYR A 55 -2.631 -1.393 8.004 1.00 0.00 N ATOM 778 CA TYR A 55 -2.513 -0.477 6.876 1.00 0.00 C ATOM 779 C TYR A 55 -2.943 -1.153 5.578 1.00 0.00 C ATOM 780 O TYR A 55 -3.232 -2.350 5.554 1.00 0.00 O ATOM 781 CB TYR A 55 -1.074 0.026 6.750 1.00 0.00 C ATOM 782 CG TYR A 55 -0.599 0.809 7.953 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.123 0.159 9.085 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.626 2.198 7.958 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.311 0.869 10.188 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.192 2.917 9.055 1.00 0.00 C ATOM 787 CZ TYR A 55 0.276 2.248 10.167 1.00 0.00 C ATOM 788 OH TYR A 55 0.708 2.960 11.263 1.00 0.00 O ATOM 0 H TYR A 55 -2.184 -2.298 7.861 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.173 0.371 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.412 -0.826 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.994 0.655 5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.092 -0.920 9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.993 2.725 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.675 0.348 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.219 3.997 9.042 1.00 0.00 H new ATOM 0 HH TYR A 55 1.445 3.550 11.000 1.00 0.00 H new ATOM 798 N ARG A 56 -2.980 -0.378 4.499 1.00 0.00 N ATOM 799 CA ARG A 56 -3.375 -0.900 3.196 1.00 0.00 C ATOM 800 C ARG A 56 -2.455 -0.374 2.098 1.00 0.00 C ATOM 801 O ARG A 56 -2.536 0.792 1.713 1.00 0.00 O ATOM 802 CB ARG A 56 -4.824 -0.519 2.888 1.00 0.00 C ATOM 803 CG ARG A 56 -5.840 -1.531 3.393 1.00 0.00 C ATOM 804 CD ARG A 56 -6.117 -2.608 2.356 1.00 0.00 C ATOM 805 NE ARG A 56 -6.919 -3.699 2.901 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.418 -4.685 2.163 1.00 0.00 C ATOM 807 NH1 ARG A 56 -7.198 -4.715 0.855 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.139 -5.642 2.732 1.00 0.00 N ATOM 0 H ARG A 56 -2.741 0.614 4.501 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.291 -1.986 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.038 0.452 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.940 -0.407 1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.471 -1.993 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.769 -1.020 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.636 -2.167 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.172 -3.004 1.983 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.107 -3.705 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.645 -3.980 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.582 -5.473 0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.311 -5.622 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.521 -6.398 2.164 1.00 0.00 H new ATOM 822 N ILE A 57 -1.581 -1.243 1.599 1.00 0.00 N ATOM 823 CA ILE A 57 -0.647 -0.865 0.546 1.00 0.00 C ATOM 824 C ILE A 57 -1.223 -1.166 -0.833 1.00 0.00 C ATOM 825 O ILE A 57 -1.858 -2.201 -1.040 1.00 0.00 O ATOM 826 CB ILE A 57 0.699 -1.598 0.699 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.243 -1.421 2.118 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.700 -1.086 -0.326 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.475 -2.252 2.401 1.00 0.00 C ATOM 0 H ILE A 57 -1.501 -2.212 1.907 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.480 0.208 0.641 1.00 0.00 H new ATOM 0 HB ILE A 57 0.539 -2.662 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.479 -0.369 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.464 -1.686 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.646 -1.613 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.313 -1.259 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.859 -0.018 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.805 -2.076 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.239 -3.308 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.270 -1.971 1.710 1.00 0.00 H new ATOM 841 N SER A 58 -0.996 -0.256 -1.775 1.00 0.00 N ATOM 842 CA SER A 58 -1.494 -0.422 -3.135 1.00 0.00 C ATOM 843 C SER A 58 -0.375 -0.218 -4.152 1.00 0.00 C ATOM 844 O SER A 58 -0.027 0.914 -4.491 1.00 0.00 O ATOM 845 CB SER A 58 -2.632 0.562 -3.408 1.00 0.00 C ATOM 846 OG SER A 58 -2.359 1.829 -2.835 1.00 0.00 O ATOM 0 H SER A 58 -0.470 0.604 -1.621 1.00 0.00 H new ATOM 0 HA SER A 58 -1.872 -1.440 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.774 0.669 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.563 0.168 -3.001 1.00 0.00 H new ATOM 0 HG SER A 58 -3.084 2.075 -2.224 1.00 0.00 H new ATOM 852 N HIS A 59 0.186 -1.322 -4.636 1.00 0.00 N ATOM 853 CA HIS A 59 1.265 -1.266 -5.615 1.00 0.00 C ATOM 854 C HIS A 59 0.787 -1.752 -6.979 1.00 0.00 C ATOM 855 O HIS A 59 0.337 -2.889 -7.122 1.00 0.00 O ATOM 856 CB HIS A 59 2.452 -2.109 -5.146 1.00 0.00 C ATOM 857 CG HIS A 59 2.093 -3.531 -4.843 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.560 -4.599 -5.580 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.308 -4.059 -3.875 1.00 0.00 C ATOM 860 CE1 HIS A 59 2.077 -5.722 -5.079 1.00 0.00 C ATOM 861 NE2 HIS A 59 1.314 -5.422 -4.043 1.00 0.00 N ATOM 0 H HIS A 59 -0.089 -2.266 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 59 1.582 -0.228 -5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.224 -2.094 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.881 -1.653 -4.254 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.776 -3.510 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.273 -6.716 -5.453 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.811 -6.093 -3.463 1.00 0.00 H new ATOM 870 N VAL A 60 0.887 -0.883 -7.980 1.00 0.00 N ATOM 871 CA VAL A 60 0.465 -1.224 -9.334 1.00 0.00 C ATOM 872 C VAL A 60 1.625 -1.111 -10.316 1.00 0.00 C ATOM 873 O VAL A 60 2.523 -0.288 -10.139 1.00 0.00 O ATOM 874 CB VAL A 60 -0.686 -0.317 -9.808 1.00 0.00 C ATOM 875 CG1 VAL A 60 -0.980 -0.554 -11.282 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.930 -0.550 -8.964 1.00 0.00 C ATOM 0 H VAL A 60 1.257 0.062 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 60 0.116 -2.256 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.381 0.722 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.796 0.095 -11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.090 -0.332 -11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.265 -1.595 -11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.733 0.099 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.240 -1.591 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.709 -0.325 -7.921 1.00 0.00 H new ATOM 886 N TRP A 61 1.599 -1.942 -11.352 1.00 0.00 N ATOM 887 CA TRP A 61 2.650 -1.934 -12.364 1.00 0.00 C ATOM 888 C TRP A 61 2.083 -1.576 -13.733 1.00 0.00 C ATOM 889 O TRP A 61 1.144 -2.211 -14.211 1.00 0.00 O ATOM 890 CB TRP A 61 3.338 -3.299 -12.424 1.00 0.00 C ATOM 891 CG TRP A 61 3.845 -3.768 -11.093 1.00 0.00 C ATOM 892 CD1 TRP A 61 3.096 -4.207 -10.039 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.212 -3.841 -10.675 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.915 -4.549 -8.991 1.00 0.00 N ATOM 895 CE2 TRP A 61 5.217 -4.335 -9.355 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.432 -3.541 -11.286 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.395 -4.533 -8.640 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.600 -3.737 -10.575 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.575 -4.230 -9.263 1.00 0.00 C ATOM 0 H TRP A 61 0.863 -2.629 -11.513 1.00 0.00 H new ATOM 0 HA TRP A 61 3.383 -1.177 -12.086 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.636 -4.035 -12.817 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.171 -3.247 -13.125 1.00 0.00 H new ATOM 0 HD1 TRP A 61 2.018 -4.275 -10.031 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.603 -4.905 -8.087 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.461 -3.162 -12.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.378 -4.912 -7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.548 -3.507 -11.038 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.505 -4.373 -8.734 1.00 0.00 H new ATOM 910 N GLN A 62 2.661 -0.556 -14.359 1.00 0.00 N ATOM 911 CA GLN A 62 2.212 -0.114 -15.674 1.00 0.00 C ATOM 912 C GLN A 62 3.376 -0.065 -16.659 1.00 0.00 C ATOM 913 O GLN A 62 4.235 0.812 -16.575 1.00 0.00 O ATOM 914 CB GLN A 62 1.553 1.263 -15.576 1.00 0.00 C ATOM 915 CG GLN A 62 0.063 1.205 -15.280 1.00 0.00 C ATOM 916 CD GLN A 62 -0.666 2.465 -15.704 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.157 3.251 -16.504 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.865 2.664 -15.169 1.00 0.00 N ATOM 0 H GLN A 62 3.441 -0.020 -13.977 1.00 0.00 H new ATOM 0 HA GLN A 62 1.480 -0.834 -16.040 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.048 1.839 -14.794 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.708 1.798 -16.513 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.372 0.348 -15.793 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.085 1.046 -14.212 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.248 1.986 -14.510 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.403 3.495 -15.417 1.00 0.00 H new ATOM 927 N SER A 63 3.397 -1.012 -17.591 1.00 0.00 N ATOM 928 CA SER A 63 4.458 -1.079 -18.589 1.00 0.00 C ATOM 929 C SER A 63 3.897 -0.869 -19.992 1.00 0.00 C ATOM 930 O SER A 63 2.698 -1.023 -20.223 1.00 0.00 O ATOM 931 CB SER A 63 5.176 -2.428 -18.511 1.00 0.00 C ATOM 932 OG SER A 63 5.723 -2.788 -19.768 1.00 0.00 O ATOM 0 H SER A 63 2.691 -1.744 -17.676 1.00 0.00 H new ATOM 0 HA SER A 63 5.172 -0.283 -18.379 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.970 -2.378 -17.766 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.477 -3.197 -18.181 1.00 0.00 H new ATOM 0 HG SER A 63 6.178 -3.653 -19.691 1.00 0.00 H new ATOM 938 N ALA A 64 4.775 -0.516 -20.926 1.00 0.00 N ATOM 939 CA ALA A 64 4.369 -0.286 -22.307 1.00 0.00 C ATOM 940 C ALA A 64 3.871 -1.574 -22.955 1.00 0.00 C ATOM 941 O ALA A 64 4.663 -2.420 -23.367 1.00 0.00 O ATOM 942 CB ALA A 64 5.526 0.296 -23.107 1.00 0.00 C ATOM 0 H ALA A 64 5.771 -0.383 -20.751 1.00 0.00 H new ATOM 0 HA ALA A 64 3.547 0.430 -22.304 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.209 0.463 -24.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.834 1.243 -22.664 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.364 -0.401 -23.094 1.00 0.00 H new ATOM 948 N GLY A 65 2.552 -1.716 -23.040 1.00 0.00 N ATOM 949 CA GLY A 65 1.971 -2.904 -23.638 1.00 0.00 C ATOM 950 C GLY A 65 1.467 -3.888 -22.600 1.00 0.00 C ATOM 951 O GLY A 65 0.689 -4.788 -22.916 1.00 0.00 O ATOM 0 H GLY A 65 1.875 -1.030 -22.706 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.147 -2.613 -24.289 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.716 -3.393 -24.266 1.00 0.00 H new ATOM 955 N ILE A 66 1.912 -3.717 -21.360 1.00 0.00 N ATOM 956 CA ILE A 66 1.502 -4.598 -20.274 1.00 0.00 C ATOM 957 C ILE A 66 1.155 -3.801 -19.021 1.00 0.00 C ATOM 958 O ILE A 66 2.005 -3.113 -18.455 1.00 0.00 O ATOM 959 CB ILE A 66 2.603 -5.619 -19.930 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.683 -6.698 -21.012 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.338 -6.245 -18.569 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.404 -7.488 -21.174 1.00 0.00 C ATOM 0 H ILE A 66 2.556 -2.977 -21.082 1.00 0.00 H new ATOM 0 HA ILE A 66 0.617 -5.133 -20.619 1.00 0.00 H new ATOM 0 HB ILE A 66 3.560 -5.100 -19.889 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.934 -6.229 -21.963 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.496 -7.383 -20.771 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.124 -6.964 -18.340 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.325 -5.466 -17.807 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.374 -6.754 -18.584 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.534 -8.234 -21.958 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.163 -7.986 -20.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.592 -6.814 -21.446 1.00 0.00 H new ATOM 974 N SER A 67 -0.099 -3.899 -18.592 1.00 0.00 N ATOM 975 CA SER A 67 -0.560 -3.186 -17.407 1.00 0.00 C ATOM 976 C SER A 67 -1.291 -4.128 -16.455 1.00 0.00 C ATOM 977 O SER A 67 -2.362 -4.645 -16.774 1.00 0.00 O ATOM 978 CB SER A 67 -1.481 -2.031 -17.806 1.00 0.00 C ATOM 979 OG SER A 67 -2.693 -2.514 -18.361 1.00 0.00 O ATOM 0 H SER A 67 -0.814 -4.466 -19.048 1.00 0.00 H new ATOM 0 HA SER A 67 0.313 -2.784 -16.893 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.697 -1.415 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.975 -1.392 -18.530 1.00 0.00 H new ATOM 0 HG SER A 67 -2.927 -3.369 -17.943 1.00 0.00 H new ATOM 985 N LYS A 68 -0.703 -4.349 -15.284 1.00 0.00 N ATOM 986 CA LYS A 68 -1.297 -5.228 -14.283 1.00 0.00 C ATOM 987 C LYS A 68 -1.576 -4.469 -12.990 1.00 0.00 C ATOM 988 O LYS A 68 -1.087 -3.356 -12.795 1.00 0.00 O ATOM 989 CB LYS A 68 -0.371 -6.413 -14.002 1.00 0.00 C ATOM 990 CG LYS A 68 -0.090 -7.269 -15.225 1.00 0.00 C ATOM 991 CD LYS A 68 0.168 -8.717 -14.844 1.00 0.00 C ATOM 992 CE LYS A 68 1.644 -8.969 -14.577 1.00 0.00 C ATOM 993 NZ LYS A 68 1.982 -10.417 -14.650 1.00 0.00 N ATOM 0 H LYS A 68 0.185 -3.931 -15.005 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.243 -5.600 -14.677 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.573 -6.039 -13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.817 -7.036 -13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.937 -7.217 -15.909 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.774 -6.872 -15.757 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.412 -8.969 -13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.175 -9.372 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.243 -8.419 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.905 -8.584 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.997 -10.547 -14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.429 -10.939 -13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.757 -10.779 -15.599 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.362 -5.079 -12.109 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.704 -4.460 -10.834 1.00 0.00 C ATOM 1009 C GLU A 69 -2.557 -5.457 -9.688 1.00 0.00 C ATOM 1010 O GLU A 69 -2.931 -6.624 -9.812 1.00 0.00 O ATOM 1011 CB GLU A 69 -4.135 -3.919 -10.872 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.643 -3.445 -9.520 1.00 0.00 C ATOM 1013 CD GLU A 69 -6.156 -3.354 -9.465 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -6.714 -2.393 -10.034 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.781 -4.245 -8.852 1.00 0.00 O ATOM 0 H GLU A 69 -2.774 -6.001 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.014 -3.633 -10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.183 -3.091 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.799 -4.698 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.295 -4.128 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.216 -2.467 -9.298 1.00 0.00 H new ATOM 1022 N LEU A 70 -2.008 -4.989 -8.572 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.809 -5.839 -7.403 1.00 0.00 C ATOM 1024 C LEU A 70 -2.182 -5.099 -6.122 1.00 0.00 C ATOM 1025 O LEU A 70 -2.212 -3.868 -6.090 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.354 -6.307 -7.329 1.00 0.00 C ATOM 1027 CG LEU A 70 0.151 -7.118 -8.523 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.671 -7.174 -8.525 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.437 -8.521 -8.502 1.00 0.00 C ATOM 0 H LEU A 70 -1.693 -4.026 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.459 -6.708 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.283 -5.430 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.232 -6.909 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.175 -6.624 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.013 -7.755 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.072 -6.163 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.019 -7.645 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.067 -9.084 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.142 -9.025 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.524 -8.461 -8.550 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.465 -5.856 -5.069 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.834 -5.273 -3.783 1.00 0.00 C ATOM 1043 C LEU A 71 -2.251 -6.083 -2.630 1.00 0.00 C ATOM 1044 O LEU A 71 -2.484 -7.287 -2.526 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.356 -5.200 -3.653 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.897 -4.144 -2.688 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.234 -4.276 -1.326 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.686 -2.747 -3.253 1.00 0.00 C ATOM 0 H LEU A 71 -2.446 -6.876 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.423 -4.265 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.776 -5.010 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.721 -6.176 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.968 -4.306 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.631 -3.516 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.437 -5.266 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.158 -4.141 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.077 -2.009 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.621 -2.574 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.209 -2.657 -4.205 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.496 -5.413 -1.765 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.882 -6.072 -0.618 1.00 0.00 C ATOM 1062 C GLU A 72 -1.663 -5.779 0.660 1.00 0.00 C ATOM 1063 O GLU A 72 -2.452 -4.837 0.714 1.00 0.00 O ATOM 1064 CB GLU A 72 0.570 -5.617 -0.458 1.00 0.00 C ATOM 1065 CG GLU A 72 1.473 -6.671 0.160 1.00 0.00 C ATOM 1066 CD GLU A 72 1.520 -7.949 -0.655 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.237 -7.888 -1.870 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.839 -9.010 -0.079 1.00 0.00 O ATOM 0 H GLU A 72 -1.295 -4.416 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.901 -7.147 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.965 -5.340 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.595 -4.721 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.481 -6.269 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.123 -6.899 1.167 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.435 -6.594 1.686 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.118 -6.422 2.962 1.00 0.00 C ATOM 1077 C GLU A 73 -1.122 -6.434 4.118 1.00 0.00 C ATOM 1078 O GLU A 73 -0.241 -7.292 4.184 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.160 -7.525 3.161 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.193 -7.594 2.048 1.00 0.00 C ATOM 1081 CD GLU A 73 -4.995 -8.881 2.076 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -4.403 -9.944 2.353 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -6.216 -8.823 1.821 1.00 0.00 O ATOM 0 H GLU A 73 -0.784 -7.378 1.658 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.621 -5.455 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.651 -8.486 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.671 -7.364 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.872 -6.745 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.691 -7.504 1.085 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.268 -5.476 5.028 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.383 -5.376 6.182 1.00 0.00 C ATOM 1092 C VAL A 74 -1.159 -5.001 7.439 1.00 0.00 C ATOM 1093 O VAL A 74 -2.048 -4.151 7.403 1.00 0.00 O ATOM 1094 CB VAL A 74 0.728 -4.335 5.948 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.942 -4.986 5.303 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.211 -3.187 5.094 1.00 0.00 C ATOM 0 H VAL A 74 -1.991 -4.758 4.988 1.00 0.00 H new ATOM 0 HA VAL A 74 0.071 -6.357 6.319 1.00 0.00 H new ATOM 0 HB VAL A 74 1.033 -3.931 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.717 -4.235 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.324 -5.770 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.656 -5.419 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.009 -2.461 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.122 -3.572 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.625 -2.705 5.600 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.816 -5.642 8.553 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.490 -5.362 9.807 1.00 0.00 C ATOM 1108 C GLY A 75 -0.829 -4.239 10.583 1.00 0.00 C ATOM 1109 O GLY A 75 0.142 -3.643 10.117 1.00 0.00 O ATOM 0 H GLY A 75 -0.084 -6.350 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.529 -5.099 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.502 -6.264 10.419 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.358 -3.949 11.767 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.814 -2.888 12.607 1.00 0.00 C ATOM 1115 C GLN A 76 0.597 -3.232 13.072 1.00 0.00 C ATOM 1116 O GLN A 76 1.455 -2.357 13.184 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.719 -2.652 13.817 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.868 -3.870 14.713 1.00 0.00 C ATOM 1119 CD GLN A 76 -0.826 -3.917 15.813 1.00 0.00 C ATOM 1120 OE1 GLN A 76 0.352 -3.642 15.581 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -1.255 -4.265 17.021 1.00 0.00 N ATOM 0 H GLN A 76 -2.162 -4.433 12.166 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.769 -1.975 12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.318 -1.826 14.405 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.705 -2.345 13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.862 -3.868 15.160 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.792 -4.773 14.107 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.240 -4.485 17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.599 -4.312 17.801 1.00 0.00 H new ATOM 1130 N ASN A 77 0.830 -4.513 13.343 1.00 0.00 N ATOM 1131 CA ASN A 77 2.138 -4.972 13.797 1.00 0.00 C ATOM 1132 C ASN A 77 3.027 -5.339 12.613 1.00 0.00 C ATOM 1133 O ASN A 77 3.400 -6.498 12.439 1.00 0.00 O ATOM 1134 CB ASN A 77 1.983 -6.178 14.726 1.00 0.00 C ATOM 1135 CG ASN A 77 1.833 -5.773 16.180 1.00 0.00 C ATOM 1136 OD1 ASN A 77 0.844 -6.110 16.831 1.00 0.00 O ATOM 1137 ND2 ASN A 77 2.817 -5.046 16.696 1.00 0.00 N ATOM 0 H ASN A 77 0.131 -5.250 13.256 1.00 0.00 H new ATOM 0 HA ASN A 77 2.612 -4.157 14.345 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.112 -6.758 14.422 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.851 -6.828 14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.772 -4.744 17.669 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.618 -4.790 16.119 1.00 0.00 H new ATOM 1144 N GLY A 78 3.364 -4.341 11.802 1.00 0.00 N ATOM 1145 CA GLY A 78 4.208 -4.578 10.645 1.00 0.00 C ATOM 1146 C GLY A 78 5.185 -3.445 10.398 1.00 0.00 C ATOM 1147 O GLY A 78 6.386 -3.674 10.251 1.00 0.00 O ATOM 0 H GLY A 78 3.068 -3.373 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.761 -5.506 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.581 -4.712 9.763 1.00 0.00 H new ATOM 1151 N SER A 79 4.670 -2.221 10.352 1.00 0.00 N ATOM 1152 CA SER A 79 5.505 -1.049 10.115 1.00 0.00 C ATOM 1153 C SER A 79 6.602 -1.359 9.101 1.00 0.00 C ATOM 1154 O SER A 79 7.671 -0.750 9.121 1.00 0.00 O ATOM 1155 CB SER A 79 6.129 -0.568 11.427 1.00 0.00 C ATOM 1156 OG SER A 79 6.420 0.818 11.375 1.00 0.00 O ATOM 0 H SER A 79 3.679 -2.015 10.476 1.00 0.00 H new ATOM 0 HA SER A 79 4.873 -0.259 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.447 -0.769 12.253 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.043 -1.128 11.625 1.00 0.00 H new ATOM 0 HG SER A 79 6.816 1.101 12.225 1.00 0.00 H new ATOM 1162 N ARG A 80 6.327 -2.311 8.214 1.00 0.00 N ATOM 1163 CA ARG A 80 7.290 -2.704 7.192 1.00 0.00 C ATOM 1164 C ARG A 80 6.635 -3.600 6.145 1.00 0.00 C ATOM 1165 O ARG A 80 5.865 -4.500 6.478 1.00 0.00 O ATOM 1166 CB ARG A 80 8.476 -3.429 7.830 1.00 0.00 C ATOM 1167 CG ARG A 80 9.449 -4.011 6.819 1.00 0.00 C ATOM 1168 CD ARG A 80 10.790 -4.335 7.458 1.00 0.00 C ATOM 1169 NE ARG A 80 11.543 -3.128 7.793 1.00 0.00 N ATOM 1170 CZ ARG A 80 12.629 -3.128 8.557 1.00 0.00 C ATOM 1171 NH1 ARG A 80 13.089 -4.264 9.062 1.00 0.00 N ATOM 1172 NH2 ARG A 80 13.259 -1.989 8.816 1.00 0.00 N ATOM 0 H ARG A 80 5.446 -2.824 8.183 1.00 0.00 H new ATOM 0 HA ARG A 80 7.649 -1.800 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.010 -2.734 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.101 -4.232 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.025 -4.915 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.595 -3.303 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.628 -4.924 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.377 -4.951 6.777 1.00 0.00 H new ATOM 0 HE ARG A 80 11.216 -2.237 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.608 -5.142 8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.924 -4.260 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.909 -1.113 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.093 -1.990 9.403 1.00 0.00 H new ATOM 1186 N ALA A 81 6.947 -3.347 4.878 1.00 0.00 N ATOM 1187 CA ALA A 81 6.391 -4.131 3.783 1.00 0.00 C ATOM 1188 C ALA A 81 7.410 -4.308 2.662 1.00 0.00 C ATOM 1189 O ALA A 81 8.201 -3.408 2.382 1.00 0.00 O ATOM 1190 CB ALA A 81 5.127 -3.473 3.251 1.00 0.00 C ATOM 0 H ALA A 81 7.582 -2.605 4.585 1.00 0.00 H new ATOM 0 HA ALA A 81 6.138 -5.119 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.723 -4.070 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.389 -3.404 4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.363 -2.473 2.888 1.00 0.00 H new ATOM 1196 N ARG A 82 7.385 -5.474 2.025 1.00 0.00 N ATOM 1197 CA ARG A 82 8.308 -5.770 0.936 1.00 0.00 C ATOM 1198 C ARG A 82 7.589 -6.476 -0.210 1.00 0.00 C ATOM 1199 O ARG A 82 6.811 -7.405 0.012 1.00 0.00 O ATOM 1200 CB ARG A 82 9.463 -6.637 1.439 1.00 0.00 C ATOM 1201 CG ARG A 82 10.453 -7.023 0.352 1.00 0.00 C ATOM 1202 CD ARG A 82 11.552 -7.923 0.894 1.00 0.00 C ATOM 1203 NE ARG A 82 12.409 -7.225 1.849 1.00 0.00 N ATOM 1204 CZ ARG A 82 13.178 -7.846 2.737 1.00 0.00 C ATOM 1205 NH1 ARG A 82 13.197 -9.171 2.791 1.00 0.00 N ATOM 1206 NH2 ARG A 82 13.930 -7.142 3.573 1.00 0.00 N ATOM 0 H ARG A 82 6.735 -6.229 2.244 1.00 0.00 H new ATOM 0 HA ARG A 82 8.707 -4.826 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.992 -6.101 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.057 -7.544 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.928 -7.534 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.896 -6.123 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.104 -8.792 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.158 -8.294 0.067 1.00 0.00 H new ATOM 0 HE ARG A 82 12.418 -6.205 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.620 -9.716 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.788 -9.645 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.918 -6.123 3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.520 -7.620 4.254 1.00 0.00 H new ATOM 1220 N ILE A 83 7.854 -6.029 -1.433 1.00 0.00 N ATOM 1221 CA ILE A 83 7.232 -6.619 -2.612 1.00 0.00 C ATOM 1222 C ILE A 83 8.284 -7.158 -3.576 1.00 0.00 C ATOM 1223 O ILE A 83 9.307 -6.516 -3.817 1.00 0.00 O ATOM 1224 CB ILE A 83 6.348 -5.599 -3.352 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.753 -4.594 -2.363 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.244 -6.312 -4.119 1.00 0.00 C ATOM 1227 CD1 ILE A 83 5.009 -3.458 -3.030 1.00 0.00 C ATOM 0 H ILE A 83 8.495 -5.261 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 83 6.608 -7.441 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 83 6.967 -5.055 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.073 -5.117 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.554 -4.182 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.628 -5.577 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.687 -6.992 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.625 -6.879 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.614 -2.785 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.690 -2.910 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.186 -3.860 -3.621 1.00 0.00 H new ATOM 1239 N SER A 84 8.024 -8.339 -4.127 1.00 0.00 N ATOM 1240 CA SER A 84 8.949 -8.966 -5.064 1.00 0.00 C ATOM 1241 C SER A 84 8.692 -8.481 -6.488 1.00 0.00 C ATOM 1242 O SER A 84 7.653 -8.777 -7.078 1.00 0.00 O ATOM 1243 CB SER A 84 8.820 -10.489 -5.000 1.00 0.00 C ATOM 1244 OG SER A 84 9.008 -10.962 -3.678 1.00 0.00 O ATOM 0 H SER A 84 7.180 -8.881 -3.941 1.00 0.00 H new ATOM 0 HA SER A 84 9.962 -8.683 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.836 -10.789 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.555 -10.947 -5.661 1.00 0.00 H new ATOM 0 HG SER A 84 8.919 -11.938 -3.664 1.00 0.00 H new ATOM 1250 N VAL A 85 9.646 -7.734 -7.034 1.00 0.00 N ATOM 1251 CA VAL A 85 9.525 -7.208 -8.388 1.00 0.00 C ATOM 1252 C VAL A 85 8.774 -8.182 -9.290 1.00 0.00 C ATOM 1253 O VAL A 85 9.252 -9.281 -9.566 1.00 0.00 O ATOM 1254 CB VAL A 85 10.906 -6.917 -9.003 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.759 -6.401 -10.427 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.673 -5.923 -8.144 1.00 0.00 C ATOM 0 H VAL A 85 10.512 -7.479 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 85 8.964 -6.276 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 85 11.473 -7.847 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.746 -6.201 -10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.252 -7.150 -11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.174 -5.482 -10.422 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.647 -5.729 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.112 -4.991 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.811 -6.336 -7.145 1.00 0.00 H new ATOM 1266 N GLN A 86 7.596 -7.768 -9.746 1.00 0.00 N ATOM 1267 CA GLN A 86 6.779 -8.605 -10.618 1.00 0.00 C ATOM 1268 C GLN A 86 7.031 -8.272 -12.084 1.00 0.00 C ATOM 1269 O GLN A 86 6.883 -9.125 -12.959 1.00 0.00 O ATOM 1270 CB GLN A 86 5.296 -8.424 -10.289 1.00 0.00 C ATOM 1271 CG GLN A 86 4.954 -8.717 -8.837 1.00 0.00 C ATOM 1272 CD GLN A 86 4.958 -10.201 -8.525 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.993 -11.037 -9.428 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.923 -10.536 -7.240 1.00 0.00 N ATOM 0 H GLN A 86 7.186 -6.860 -9.527 1.00 0.00 H new ATOM 0 HA GLN A 86 7.058 -9.645 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.003 -7.401 -10.523 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.707 -9.079 -10.931 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.671 -8.211 -8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.971 -8.304 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.895 -9.810 -6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.925 -11.519 -6.969 1.00 0.00 H new ATOM 1283 N VAL A 87 7.412 -7.026 -12.346 1.00 0.00 N ATOM 1284 CA VAL A 87 7.685 -6.580 -13.708 1.00 0.00 C ATOM 1285 C VAL A 87 8.910 -5.674 -13.753 1.00 0.00 C ATOM 1286 O VAL A 87 9.076 -4.793 -12.910 1.00 0.00 O ATOM 1287 CB VAL A 87 6.481 -5.827 -14.304 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.917 -4.970 -15.482 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.394 -6.807 -14.721 1.00 0.00 C ATOM 0 H VAL A 87 7.539 -6.307 -11.634 1.00 0.00 H new ATOM 0 HA VAL A 87 7.875 -7.474 -14.302 1.00 0.00 H new ATOM 0 HB VAL A 87 6.071 -5.168 -13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.053 -4.446 -15.890 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.658 -4.244 -15.149 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.353 -5.606 -16.253 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.551 -6.258 -15.140 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.790 -7.492 -15.471 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.062 -7.374 -13.851 1.00 0.00 H new ATOM 1299 N HIS A 88 9.767 -5.896 -14.745 1.00 0.00 N ATOM 1300 CA HIS A 88 10.978 -5.099 -14.903 1.00 0.00 C ATOM 1301 C HIS A 88 10.820 -4.090 -16.036 1.00 0.00 C ATOM 1302 O HIS A 88 10.104 -4.337 -17.005 1.00 0.00 O ATOM 1303 CB HIS A 88 12.179 -6.005 -15.174 1.00 0.00 C ATOM 1304 CG HIS A 88 12.582 -6.835 -13.995 1.00 0.00 C ATOM 1305 ND1 HIS A 88 11.963 -8.023 -13.664 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.548 -6.645 -13.067 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.531 -8.526 -12.582 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.496 -7.709 -12.200 1.00 0.00 N ATOM 0 H HIS A 88 9.645 -6.622 -15.451 1.00 0.00 H new ATOM 0 HA HIS A 88 11.148 -4.553 -13.975 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.944 -6.665 -16.009 1.00 0.00 H new ATOM 0 HB3 HIS A 88 13.025 -5.390 -15.481 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.233 -5.811 -13.017 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.253 -9.448 -12.093 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.104 -7.846 -11.392 1.00 0.00 H new ATOM 1317 N ASN A 89 11.495 -2.951 -15.906 1.00 0.00 N ATOM 1318 CA ASN A 89 11.428 -1.904 -16.919 1.00 0.00 C ATOM 1319 C ASN A 89 10.007 -1.364 -17.051 1.00 0.00 C ATOM 1320 O ASN A 89 9.469 -1.267 -18.153 1.00 0.00 O ATOM 1321 CB ASN A 89 11.909 -2.440 -18.269 1.00 0.00 C ATOM 1322 CG ASN A 89 12.137 -1.335 -19.282 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.192 -0.693 -19.741 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.397 -1.108 -19.636 1.00 0.00 N ATOM 0 H ASN A 89 12.094 -2.731 -15.110 1.00 0.00 H new ATOM 0 HA ASN A 89 12.080 -1.088 -16.606 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.836 -2.996 -18.127 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.173 -3.142 -18.661 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.612 -0.377 -20.314 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.149 -1.665 -19.230 1.00 0.00 H new ATOM 1331 N ALA A 90 9.407 -1.013 -15.918 1.00 0.00 N ATOM 1332 CA ALA A 90 8.050 -0.480 -15.907 1.00 0.00 C ATOM 1333 C ALA A 90 7.869 0.536 -14.784 1.00 0.00 C ATOM 1334 O ALA A 90 8.692 0.623 -13.872 1.00 0.00 O ATOM 1335 CB ALA A 90 7.040 -1.609 -15.767 1.00 0.00 C ATOM 0 H ALA A 90 9.839 -1.088 -14.997 1.00 0.00 H new ATOM 0 HA ALA A 90 7.879 0.030 -16.855 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.031 -1.196 -15.760 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.145 -2.297 -16.606 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.219 -2.144 -14.834 1.00 0.00 H new ATOM 1341 N THR A 91 6.786 1.304 -14.856 1.00 0.00 N ATOM 1342 CA THR A 91 6.498 2.315 -13.846 1.00 0.00 C ATOM 1343 C THR A 91 5.528 1.785 -12.798 1.00 0.00 C ATOM 1344 O THR A 91 4.403 1.399 -13.118 1.00 0.00 O ATOM 1345 CB THR A 91 5.906 3.589 -14.480 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.953 3.236 -15.488 1.00 0.00 O ATOM 1347 CG2 THR A 91 7.002 4.449 -15.089 1.00 0.00 C ATOM 0 H THR A 91 6.094 1.245 -15.603 1.00 0.00 H new ATOM 0 HA THR A 91 7.445 2.562 -13.367 1.00 0.00 H new ATOM 0 HB THR A 91 5.410 4.162 -13.697 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.481 2.420 -15.221 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.560 5.342 -15.530 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.710 4.740 -14.313 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.523 3.882 -15.861 1.00 0.00 H new ATOM 1355 N CYS A 92 5.969 1.768 -11.545 1.00 0.00 N ATOM 1356 CA CYS A 92 5.138 1.284 -10.448 1.00 0.00 C ATOM 1357 C CYS A 92 4.750 2.427 -9.515 1.00 0.00 C ATOM 1358 O CYS A 92 5.522 3.363 -9.306 1.00 0.00 O ATOM 1359 CB CYS A 92 5.874 0.197 -9.664 1.00 0.00 C ATOM 1360 SG CYS A 92 4.955 -0.440 -8.243 1.00 0.00 S ATOM 0 H CYS A 92 6.897 2.084 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 92 4.228 0.861 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 92 6.101 -0.630 -10.337 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.827 0.597 -9.317 1.00 0.00 H new ATOM 0 HG CYS A 92 3.698 -0.553 -8.555 1.00 0.00 H new ATOM 1366 N THR A 93 3.547 2.344 -8.955 1.00 0.00 N ATOM 1367 CA THR A 93 3.055 3.372 -8.046 1.00 0.00 C ATOM 1368 C THR A 93 2.769 2.793 -6.665 1.00 0.00 C ATOM 1369 O THR A 93 1.883 1.954 -6.503 1.00 0.00 O ATOM 1370 CB THR A 93 1.774 4.034 -8.587 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.790 4.034 -10.019 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.645 5.462 -8.077 1.00 0.00 C ATOM 0 H THR A 93 2.896 1.576 -9.115 1.00 0.00 H new ATOM 0 HA THR A 93 3.839 4.125 -7.967 1.00 0.00 H new ATOM 0 HB THR A 93 0.918 3.460 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.971 4.455 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.733 5.909 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.604 5.457 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.506 6.045 -8.405 1.00 0.00 H new ATOM 1380 N VAL A 94 3.525 3.248 -5.670 1.00 0.00 N ATOM 1381 CA VAL A 94 3.352 2.776 -4.301 1.00 0.00 C ATOM 1382 C VAL A 94 2.453 3.716 -3.506 1.00 0.00 C ATOM 1383 O VAL A 94 2.514 4.935 -3.668 1.00 0.00 O ATOM 1384 CB VAL A 94 4.705 2.644 -3.578 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.521 1.990 -2.217 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.689 1.855 -4.429 1.00 0.00 C ATOM 0 H VAL A 94 4.263 3.943 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 94 2.883 1.794 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 94 5.114 3.643 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.488 1.905 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.853 2.599 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.091 0.997 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.640 1.771 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.290 0.858 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.843 2.369 -5.378 1.00 0.00 H new ATOM 1396 N ARG A 95 1.619 3.141 -2.645 1.00 0.00 N ATOM 1397 CA ARG A 95 0.706 3.928 -1.825 1.00 0.00 C ATOM 1398 C ARG A 95 0.306 3.159 -0.569 1.00 0.00 C ATOM 1399 O ARG A 95 0.156 1.937 -0.598 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.542 4.301 -2.627 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.335 5.484 -3.559 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.647 6.190 -3.862 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.782 5.271 -3.834 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.126 4.497 -4.857 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -2.426 4.530 -5.983 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.172 3.687 -4.755 1.00 0.00 N ATOM 0 H ARG A 95 1.557 2.134 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 95 1.221 4.840 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.858 3.438 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.353 4.531 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.362 6.188 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.118 5.141 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.807 6.986 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.587 6.662 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.341 5.221 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.621 5.151 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.693 3.934 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.713 3.658 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.436 3.093 -5.541 1.00 0.00 H new ATOM 1420 N ILE A 96 0.134 3.884 0.532 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.250 3.270 1.797 1.00 0.00 C ATOM 1422 C ILE A 96 -1.392 4.036 2.456 1.00 0.00 C ATOM 1423 O ILE A 96 -1.470 5.261 2.357 1.00 0.00 O ATOM 1424 CB ILE A 96 0.939 3.204 2.774 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.174 2.637 2.071 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.580 2.360 3.989 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.316 2.325 3.013 1.00 0.00 C ATOM 0 H ILE A 96 0.254 4.896 0.573 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.580 2.256 1.568 1.00 0.00 H new ATOM 0 HB ILE A 96 1.169 4.214 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.894 1.728 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.516 3.352 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.430 2.323 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.275 2.803 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.328 1.349 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.157 1.927 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.623 3.236 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.991 1.587 3.746 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.276 3.307 3.129 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.412 3.919 3.808 1.00 0.00 C ATOM 1441 C ALA A 97 -3.592 3.339 5.207 1.00 0.00 C ATOM 1442 O ALA A 97 -3.288 2.172 5.449 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.680 3.729 2.988 1.00 0.00 C ATOM 0 H ALA A 97 -2.228 2.292 3.219 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.213 4.986 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.521 4.190 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.555 4.196 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.874 2.664 2.859 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.088 4.164 6.124 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.310 3.732 7.498 1.00 0.00 C ATOM 1451 C ALA A 98 -5.632 2.985 7.632 1.00 0.00 C ATOM 1452 O ALA A 98 -6.663 3.431 7.129 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.280 4.929 8.438 1.00 0.00 C ATOM 0 H ALA A 98 -4.343 5.134 5.940 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.507 3.048 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.447 4.592 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.309 5.420 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.062 5.633 8.155 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.595 1.844 8.314 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.791 1.034 8.515 1.00 0.00 C ATOM 1461 C VAL A 99 -7.174 0.976 9.989 1.00 0.00 C ATOM 1462 O VAL A 99 -6.334 0.715 10.851 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.591 -0.401 7.990 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.723 -1.303 8.458 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.490 -0.403 6.472 1.00 0.00 C ATOM 0 H VAL A 99 -4.750 1.460 8.736 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.594 1.510 7.953 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.657 -0.791 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.565 -2.312 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.744 -1.325 9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.672 -0.919 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.349 -1.424 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.406 0.005 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.642 0.208 6.163 1.00 0.00 H new ATOM 1475 N THR A 100 -8.450 1.220 10.273 1.00 0.00 N ATOM 1476 CA THR A 100 -8.946 1.196 11.643 1.00 0.00 C ATOM 1477 C THR A 100 -10.024 0.133 11.820 1.00 0.00 C ATOM 1478 O THR A 100 -10.309 -0.634 10.900 1.00 0.00 O ATOM 1479 CB THR A 100 -9.518 2.565 12.058 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.591 2.932 11.184 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.438 3.636 12.022 1.00 0.00 C ATOM 0 H THR A 100 -9.158 1.437 9.572 1.00 0.00 H new ATOM 0 HA THR A 100 -8.096 0.957 12.282 1.00 0.00 H new ATOM 0 HB THR A 100 -9.893 2.484 13.078 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.236 3.486 11.672 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.865 4.594 12.319 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.636 3.368 12.710 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.037 3.715 11.011 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.620 0.093 13.007 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.668 -0.877 13.303 1.00 0.00 C ATOM 1491 C ARG A 101 -13.018 -0.397 12.779 1.00 0.00 C ATOM 1492 O ARG A 101 -14.067 -0.886 13.196 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.752 -1.124 14.810 1.00 0.00 C ATOM 1494 CG ARG A 101 -10.850 -2.247 15.295 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.390 -2.887 16.564 1.00 0.00 C ATOM 1496 NE ARG A 101 -11.023 -4.297 16.665 1.00 0.00 N ATOM 1497 CZ ARG A 101 -11.615 -5.262 15.971 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -12.596 -4.971 15.128 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -11.225 -6.522 16.117 1.00 0.00 N ATOM 0 H ARG A 101 -10.395 0.721 13.779 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.415 -1.811 12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.489 -0.206 15.335 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.783 -1.358 15.074 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.758 -3.003 14.516 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.849 -1.857 15.480 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.008 -2.350 17.432 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.476 -2.793 16.584 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.271 -4.555 17.304 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.898 -4.004 15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.049 -5.714 14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.469 -6.750 16.763 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.681 -7.262 15.583 1.00 0.00 H new ATOM 1513 N GLY A 102 -12.983 0.565 11.861 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.209 1.095 11.296 1.00 0.00 C ATOM 1515 C GLY A 102 -14.244 0.989 9.784 1.00 0.00 C ATOM 1516 O GLY A 102 -15.213 0.491 9.212 1.00 0.00 O ATOM 0 H GLY A 102 -12.127 0.986 11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.060 0.558 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.317 2.140 11.586 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.185 1.461 9.134 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.119 1.410 7.686 1.00 0.00 C ATOM 1522 C GLY A 103 -11.744 1.761 7.155 1.00 0.00 C ATOM 1523 O GLY A 103 -10.826 2.044 7.925 1.00 0.00 O ATOM 0 H GLY A 103 -12.371 1.878 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.391 0.410 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.853 2.099 7.268 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.599 1.744 5.833 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.325 2.063 5.200 1.00 0.00 C ATOM 1529 C VAL A 104 -10.278 3.524 4.766 1.00 0.00 C ATOM 1530 O VAL A 104 -11.177 4.009 4.082 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.068 1.167 3.974 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.144 1.381 2.920 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.685 1.435 3.398 1.00 0.00 C ATOM 0 H VAL A 104 -12.348 1.513 5.180 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.548 1.882 5.943 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.108 0.126 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.945 0.739 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.119 1.134 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.140 2.424 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.521 0.793 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.614 2.479 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.929 1.225 4.154 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.220 4.221 5.170 1.00 0.00 N ATOM 1544 CA GLY A 105 -9.074 5.621 4.814 1.00 0.00 C ATOM 1545 C GLY A 105 -8.337 5.811 3.503 1.00 0.00 C ATOM 1546 O GLY A 105 -7.943 4.850 2.842 1.00 0.00 O ATOM 0 H GLY A 105 -8.462 3.842 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.060 6.080 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.537 6.141 5.608 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.143 7.078 3.108 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.448 7.422 1.864 1.00 0.00 C ATOM 1552 C PRO A 106 -5.957 7.110 1.927 1.00 0.00 C ATOM 1553 O PRO A 106 -5.341 7.189 2.989 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.674 8.931 1.736 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.891 9.400 3.133 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.586 8.273 3.846 1.00 0.00 C ATOM 0 HA PRO A 106 -7.822 6.848 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.814 9.423 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.536 9.150 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.944 9.641 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.497 10.306 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.300 8.225 4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.670 8.386 3.815 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.383 6.754 0.782 1.00 0.00 N ATOM 1565 CA PHE A 107 -3.963 6.429 0.708 1.00 0.00 C ATOM 1566 C PHE A 107 -3.121 7.696 0.590 1.00 0.00 C ATOM 1567 O PHE A 107 -3.635 8.769 0.276 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.691 5.509 -0.483 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.248 4.125 -0.312 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.590 3.935 -0.021 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.431 3.013 -0.441 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.105 2.662 0.138 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -3.941 1.738 -0.284 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.280 1.563 0.006 1.00 0.00 C ATOM 0 H PHE A 107 -5.879 6.683 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.685 5.914 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.118 5.955 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.615 5.442 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.240 4.791 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.383 3.144 -0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.152 2.527 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.293 0.880 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.681 0.568 0.129 1.00 0.00 H new ATOM 1584 N SER A 108 -1.823 7.562 0.843 1.00 0.00 N ATOM 1585 CA SER A 108 -0.909 8.696 0.770 1.00 0.00 C ATOM 1586 C SER A 108 -0.651 9.093 -0.681 1.00 0.00 C ATOM 1587 O SER A 108 -1.241 8.531 -1.604 1.00 0.00 O ATOM 1588 CB SER A 108 0.413 8.358 1.461 1.00 0.00 C ATOM 1589 OG SER A 108 0.984 7.178 0.921 1.00 0.00 O ATOM 0 H SER A 108 -1.381 6.680 1.100 1.00 0.00 H new ATOM 0 HA SER A 108 -1.373 9.539 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.110 9.188 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.245 8.228 2.530 1.00 0.00 H new ATOM 0 HG SER A 108 1.370 6.641 1.644 1.00 0.00 H new ATOM 1595 N ASP A 109 0.235 10.064 -0.873 1.00 0.00 N ATOM 1596 CA ASP A 109 0.573 10.537 -2.210 1.00 0.00 C ATOM 1597 C ASP A 109 1.199 9.419 -3.039 1.00 0.00 C ATOM 1598 O ASP A 109 2.021 8.641 -2.556 1.00 0.00 O ATOM 1599 CB ASP A 109 1.531 11.725 -2.127 1.00 0.00 C ATOM 1600 CG ASP A 109 2.304 11.938 -3.414 1.00 0.00 C ATOM 1601 OD1 ASP A 109 1.784 12.635 -4.311 1.00 0.00 O ATOM 1602 OD2 ASP A 109 3.429 11.407 -3.525 1.00 0.00 O ATOM 0 H ASP A 109 0.732 10.539 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.347 10.857 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.966 12.627 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.232 11.566 -1.308 1.00 0.00 H new ATOM 1607 N PRO A 110 0.802 9.337 -4.318 1.00 0.00 N ATOM 1608 CA PRO A 110 1.311 8.318 -5.241 1.00 0.00 C ATOM 1609 C PRO A 110 2.773 8.547 -5.607 1.00 0.00 C ATOM 1610 O PRO A 110 3.159 9.646 -6.007 1.00 0.00 O ATOM 1611 CB PRO A 110 0.419 8.479 -6.474 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.051 9.892 -6.420 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.175 10.232 -4.961 1.00 0.00 C ATOM 0 HA PRO A 110 1.281 7.320 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.973 8.281 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.419 7.782 -6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.655 10.557 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.008 10.005 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.055 11.280 -4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.185 10.056 -4.592 1.00 0.00 H new ATOM 1621 N VAL A 111 3.584 7.503 -5.470 1.00 0.00 N ATOM 1622 CA VAL A 111 5.004 7.590 -5.788 1.00 0.00 C ATOM 1623 C VAL A 111 5.347 6.739 -7.006 1.00 0.00 C ATOM 1624 O VAL A 111 5.250 5.512 -6.967 1.00 0.00 O ATOM 1625 CB VAL A 111 5.874 7.141 -4.600 1.00 0.00 C ATOM 1626 CG1 VAL A 111 5.921 5.623 -4.516 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.276 7.720 -4.717 1.00 0.00 C ATOM 0 H VAL A 111 3.281 6.586 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 111 5.216 8.636 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 111 5.425 7.518 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.541 5.324 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.911 5.235 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.345 5.221 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.877 7.392 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.736 7.375 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.221 8.809 -4.723 1.00 0.00 H new ATOM 1637 N LYS A 112 5.750 7.398 -8.087 1.00 0.00 N ATOM 1638 CA LYS A 112 6.111 6.703 -9.317 1.00 0.00 C ATOM 1639 C LYS A 112 7.592 6.341 -9.323 1.00 0.00 C ATOM 1640 O LYS A 112 8.453 7.211 -9.464 1.00 0.00 O ATOM 1641 CB LYS A 112 5.782 7.573 -10.533 1.00 0.00 C ATOM 1642 CG LYS A 112 6.363 7.045 -11.833 1.00 0.00 C ATOM 1643 CD LYS A 112 6.270 8.076 -12.945 1.00 0.00 C ATOM 1644 CE LYS A 112 4.847 8.209 -13.464 1.00 0.00 C ATOM 1645 NZ LYS A 112 4.776 9.076 -14.673 1.00 0.00 N ATOM 0 H LYS A 112 5.835 8.413 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 112 5.530 5.782 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.699 7.649 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.157 8.582 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.406 6.767 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.832 6.140 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.616 9.042 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.932 7.791 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.454 7.221 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.212 8.625 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.790 9.141 -14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.128 10.027 -14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.361 8.666 -15.429 1.00 0.00 H new ATOM 1659 N ILE A 113 7.883 5.054 -9.172 1.00 0.00 N ATOM 1660 CA ILE A 113 9.261 4.578 -9.163 1.00 0.00 C ATOM 1661 C ILE A 113 9.597 3.844 -10.457 1.00 0.00 C ATOM 1662 O ILE A 113 8.816 3.023 -10.939 1.00 0.00 O ATOM 1663 CB ILE A 113 9.525 3.640 -7.971 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.948 3.084 -8.037 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.508 2.508 -7.952 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.539 2.771 -6.679 1.00 0.00 C ATOM 0 H ILE A 113 7.183 4.322 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 113 9.898 5.458 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 113 9.421 4.211 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.947 2.177 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.588 3.805 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.708 1.853 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.504 2.922 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.583 1.936 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.549 2.381 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.572 3.680 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.922 2.026 -6.176 1.00 0.00 H new ATOM 1678 N PHE A 114 10.766 4.144 -11.014 1.00 0.00 N ATOM 1679 CA PHE A 114 11.207 3.512 -12.252 1.00 0.00 C ATOM 1680 C PHE A 114 11.932 2.201 -11.965 1.00 0.00 C ATOM 1681 O PHE A 114 12.971 2.186 -11.306 1.00 0.00 O ATOM 1682 CB PHE A 114 12.125 4.456 -13.032 1.00 0.00 C ATOM 1683 CG PHE A 114 12.925 3.767 -14.100 1.00 0.00 C ATOM 1684 CD1 PHE A 114 14.096 3.097 -13.785 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.505 3.788 -15.421 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.834 2.462 -14.765 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.239 3.154 -16.406 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.405 2.491 -16.078 1.00 0.00 C ATOM 0 H PHE A 114 11.425 4.820 -10.628 1.00 0.00 H new ATOM 0 HA PHE A 114 10.325 3.294 -12.854 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.522 5.240 -13.490 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.807 4.944 -12.336 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.436 3.071 -12.760 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.594 4.305 -15.684 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.745 1.944 -14.505 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.901 3.177 -17.431 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.980 1.996 -16.846 1.00 0.00 H new ATOM 1698 N ILE A 115 11.375 1.102 -12.464 1.00 0.00 N ATOM 1699 CA ILE A 115 11.968 -0.214 -12.263 1.00 0.00 C ATOM 1700 C ILE A 115 13.016 -0.513 -13.328 1.00 0.00 C ATOM 1701 O ILE A 115 12.711 -0.661 -14.512 1.00 0.00 O ATOM 1702 CB ILE A 115 10.899 -1.322 -12.284 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.640 -0.861 -11.547 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.446 -2.598 -11.663 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.755 -0.951 -10.041 1.00 0.00 C ATOM 0 H ILE A 115 10.514 1.097 -13.010 1.00 0.00 H new ATOM 0 HA ILE A 115 12.444 -0.199 -11.283 1.00 0.00 H new ATOM 0 HB ILE A 115 10.634 -1.531 -13.321 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.422 0.170 -11.826 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.794 -1.465 -11.876 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.678 -3.372 -11.685 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.316 -2.934 -12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.736 -2.405 -10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.827 -0.608 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.942 -1.985 -9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.580 -0.324 -9.701 1.00 0.00 H new ATOM 1717 N PRO A 116 14.284 -0.608 -12.900 1.00 0.00 N ATOM 1718 CA PRO A 116 15.404 -0.894 -13.802 1.00 0.00 C ATOM 1719 C PRO A 116 15.373 -2.324 -14.330 1.00 0.00 C ATOM 1720 O PRO A 116 15.271 -3.278 -13.560 1.00 0.00 O ATOM 1721 CB PRO A 116 16.635 -0.678 -12.917 1.00 0.00 C ATOM 1722 CG PRO A 116 16.150 -0.914 -11.529 1.00 0.00 C ATOM 1723 CD PRO A 116 14.721 -0.444 -11.504 1.00 0.00 C ATOM 0 HA PRO A 116 15.383 -0.263 -14.690 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.437 -1.368 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.033 0.330 -13.031 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.218 -1.970 -11.266 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.754 -0.366 -10.806 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.114 -1.038 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.645 0.593 -11.178 1.00 0.00 H new ATOM 1731 N ALA A 117 15.461 -2.464 -15.649 1.00 0.00 N ATOM 1732 CA ALA A 117 15.445 -3.778 -16.280 1.00 0.00 C ATOM 1733 C ALA A 117 16.459 -4.712 -15.629 1.00 0.00 C ATOM 1734 O ALA A 117 16.090 -5.701 -14.994 1.00 0.00 O ATOM 1735 CB ALA A 117 15.722 -3.651 -17.771 1.00 0.00 C ATOM 0 H ALA A 117 15.544 -1.684 -16.301 1.00 0.00 H new ATOM 0 HA ALA A 117 14.453 -4.208 -16.141 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.707 -4.640 -18.229 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.957 -3.026 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.701 -3.196 -17.922 1.00 0.00 H new