USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 910 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 45 MET CE :methyl -162:sc= -0.231 (180deg=-0.78) USER MOD Set 1.2: A 124 MET CE :methyl -106:sc= -0.248 (180deg=-0.84) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 33 MET CE :methyl -162:sc= -0.0958 (180deg=-0.527) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -1.62! (180deg=-2.64!) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.461 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.529 K(o=-0.53,f=-3.6!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= -0.0219 (180deg=-0.187) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.336 K(o=-0.34,f=-3.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -0.0208 (180deg=-0.168) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.82) USER MOD Single : A 83 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.1) USER MOD Single : A 89 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.011) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 95 THR OG1 : rot 170:sc= -0.0735 USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.945 USER MOD Single : A 98 GLN : amide:sc=-0.000401 K(o=-0.0004,f=-0.53) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.424 X(o=-0.42,f=0.024) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.102 (180deg=-0.428) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.874 (180deg=-1.21) USER MOD Single : A 114 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.002 3.273 5.975 1.00 0.00 N ATOM 243 CA ALA A 19 19.149 4.436 5.756 1.00 0.00 C ATOM 244 C ALA A 19 18.239 4.246 4.546 1.00 0.00 C ATOM 245 O ALA A 19 17.198 4.890 4.438 1.00 0.00 O ATOM 246 CB ALA A 19 20.000 5.685 5.583 1.00 0.00 C ATOM 0 HA ALA A 19 18.513 4.553 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.353 6.547 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.598 5.845 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.660 5.560 4.725 1.00 0.00 H new ATOM 252 N GLU A 20 18.642 3.362 3.637 1.00 0.00 N ATOM 253 CA GLU A 20 17.869 3.098 2.427 1.00 0.00 C ATOM 254 C GLU A 20 16.439 2.673 2.762 1.00 0.00 C ATOM 255 O GLU A 20 15.480 3.222 2.219 1.00 0.00 O ATOM 256 CB GLU A 20 18.558 2.014 1.593 1.00 0.00 C ATOM 257 CG GLU A 20 18.045 1.913 0.164 1.00 0.00 C ATOM 258 CD GLU A 20 16.657 1.310 0.077 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.526 0.088 0.297 1.00 0.00 O ATOM 260 OE2 GLU A 20 15.701 2.061 -0.209 1.00 0.00 O ATOM 0 H GLU A 20 19.500 2.816 3.716 1.00 0.00 H new ATOM 0 HA GLU A 20 17.818 4.021 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.629 2.214 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.424 1.051 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.033 2.907 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.736 1.308 -0.423 1.00 0.00 H new ATOM 267 N PHE A 21 16.300 1.699 3.656 1.00 0.00 N ATOM 268 CA PHE A 21 14.979 1.214 4.049 1.00 0.00 C ATOM 269 C PHE A 21 14.193 2.308 4.766 1.00 0.00 C ATOM 270 O PHE A 21 13.045 2.587 4.419 1.00 0.00 O ATOM 271 CB PHE A 21 15.106 -0.019 4.947 1.00 0.00 C ATOM 272 CG PHE A 21 13.785 -0.633 5.324 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.196 -1.594 4.517 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.134 -0.250 6.487 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.983 -2.160 4.862 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.920 -0.812 6.836 1.00 0.00 C ATOM 277 CZ PHE A 21 11.343 -1.768 6.022 1.00 0.00 C ATOM 0 H PHE A 21 17.079 1.232 4.120 1.00 0.00 H new ATOM 0 HA PHE A 21 14.437 0.935 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.712 -0.768 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.640 0.258 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.691 -1.904 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.581 0.496 7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.536 -2.909 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.423 -0.504 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.394 -2.208 6.292 1.00 0.00 H new ATOM 287 N ASP A 22 14.820 2.925 5.764 1.00 0.00 N ATOM 288 CA ASP A 22 14.178 3.989 6.529 1.00 0.00 C ATOM 289 C ASP A 22 13.762 5.139 5.617 1.00 0.00 C ATOM 290 O ASP A 22 12.800 5.853 5.901 1.00 0.00 O ATOM 291 CB ASP A 22 15.119 4.501 7.621 1.00 0.00 C ATOM 292 CG ASP A 22 15.475 3.424 8.627 1.00 0.00 C ATOM 293 OD1 ASP A 22 16.390 2.624 8.342 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.836 3.380 9.699 1.00 0.00 O ATOM 0 H ASP A 22 15.771 2.707 6.061 1.00 0.00 H new ATOM 0 HA ASP A 22 13.283 3.578 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.031 4.882 7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.650 5.338 8.139 1.00 0.00 H new ATOM 299 N ALA A 23 14.494 5.311 4.519 1.00 0.00 N ATOM 300 CA ALA A 23 14.201 6.371 3.564 1.00 0.00 C ATOM 301 C ALA A 23 12.859 6.136 2.884 1.00 0.00 C ATOM 302 O ALA A 23 11.986 7.003 2.898 1.00 0.00 O ATOM 303 CB ALA A 23 15.307 6.468 2.523 1.00 0.00 C ATOM 0 H ALA A 23 15.294 4.729 4.271 1.00 0.00 H new ATOM 0 HA ALA A 23 14.147 7.313 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.073 7.265 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.253 6.687 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.388 5.521 1.989 1.00 0.00 H new ATOM 309 N VAL A 24 12.705 4.956 2.291 1.00 0.00 N ATOM 310 CA VAL A 24 11.467 4.602 1.606 1.00 0.00 C ATOM 311 C VAL A 24 10.271 4.751 2.538 1.00 0.00 C ATOM 312 O VAL A 24 9.217 5.246 2.136 1.00 0.00 O ATOM 313 CB VAL A 24 11.511 3.160 1.065 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.254 2.852 0.266 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.756 2.943 0.220 1.00 0.00 C ATOM 0 H VAL A 24 13.421 4.230 2.271 1.00 0.00 H new ATOM 0 HA VAL A 24 11.361 5.287 0.765 1.00 0.00 H new ATOM 0 HB VAL A 24 11.553 2.475 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.302 1.829 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.379 2.963 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.178 3.543 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.769 1.919 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.750 3.636 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.644 3.119 0.828 1.00 0.00 H new ATOM 325 N VAL A 25 10.441 4.319 3.784 1.00 0.00 N ATOM 326 CA VAL A 25 9.377 4.412 4.775 1.00 0.00 C ATOM 327 C VAL A 25 8.972 5.866 4.993 1.00 0.00 C ATOM 328 O VAL A 25 7.794 6.170 5.188 1.00 0.00 O ATOM 329 CB VAL A 25 9.804 3.794 6.122 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.690 3.925 7.151 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.200 2.336 5.939 1.00 0.00 C ATOM 0 H VAL A 25 11.305 3.902 4.130 1.00 0.00 H new ATOM 0 HA VAL A 25 8.526 3.851 4.389 1.00 0.00 H new ATOM 0 HB VAL A 25 10.672 4.341 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.012 3.483 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.459 4.979 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.801 3.407 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.498 1.917 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.352 1.775 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.034 2.270 5.240 1.00 0.00 H new ATOM 341 N GLY A 26 9.957 6.760 4.955 1.00 0.00 N ATOM 342 CA GLY A 26 9.684 8.172 5.140 1.00 0.00 C ATOM 343 C GLY A 26 8.788 8.727 4.051 1.00 0.00 C ATOM 344 O GLY A 26 7.824 9.439 4.334 1.00 0.00 O ATOM 0 H GLY A 26 10.938 6.530 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.212 8.325 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.624 8.724 5.152 1.00 0.00 H new ATOM 348 N TYR A 27 9.106 8.396 2.803 1.00 0.00 N ATOM 349 CA TYR A 27 8.320 8.859 1.666 1.00 0.00 C ATOM 350 C TYR A 27 6.882 8.361 1.773 1.00 0.00 C ATOM 351 O TYR A 27 5.939 9.092 1.471 1.00 0.00 O ATOM 352 CB TYR A 27 8.940 8.377 0.350 1.00 0.00 C ATOM 353 CG TYR A 27 10.352 8.873 0.115 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.616 10.227 -0.055 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.420 7.986 0.062 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.903 10.681 -0.271 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.709 8.433 -0.153 1.00 0.00 C ATOM 358 CZ TYR A 27 12.945 9.780 -0.319 1.00 0.00 C ATOM 359 OH TYR A 27 14.228 10.230 -0.533 1.00 0.00 O ATOM 0 H TYR A 27 9.902 7.809 2.554 1.00 0.00 H new ATOM 0 HA TYR A 27 8.319 9.949 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.942 7.287 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.309 8.702 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.802 10.936 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.239 6.929 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.092 11.736 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.528 7.730 -0.191 1.00 0.00 H new ATOM 0 HH TYR A 27 14.845 9.469 -0.538 1.00 0.00 H new ATOM 369 N LEU A 28 6.727 7.114 2.210 1.00 0.00 N ATOM 370 CA LEU A 28 5.405 6.512 2.362 1.00 0.00 C ATOM 371 C LEU A 28 4.538 7.337 3.306 1.00 0.00 C ATOM 372 O LEU A 28 3.369 7.599 3.022 1.00 0.00 O ATOM 373 CB LEU A 28 5.529 5.078 2.891 1.00 0.00 C ATOM 374 CG LEU A 28 6.208 4.089 1.941 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.430 2.752 2.632 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.377 3.902 0.681 1.00 0.00 C ATOM 0 H LEU A 28 7.501 6.500 2.465 1.00 0.00 H new ATOM 0 HA LEU A 28 4.929 6.491 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.088 5.100 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.531 4.706 3.124 1.00 0.00 H new ATOM 0 HG LEU A 28 7.178 4.498 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.914 2.061 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.065 2.895 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.470 2.340 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.876 3.195 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.393 3.516 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.266 4.860 0.173 1.00 0.00 H new ATOM 388 N GLU A 29 5.121 7.743 4.429 1.00 0.00 N ATOM 389 CA GLU A 29 4.406 8.539 5.420 1.00 0.00 C ATOM 390 C GLU A 29 3.929 9.858 4.822 1.00 0.00 C ATOM 391 O GLU A 29 2.815 10.307 5.094 1.00 0.00 O ATOM 392 CB GLU A 29 5.306 8.804 6.627 1.00 0.00 C ATOM 393 CG GLU A 29 5.724 7.540 7.360 1.00 0.00 C ATOM 394 CD GLU A 29 6.622 7.823 8.549 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.855 7.881 8.362 1.00 0.00 O ATOM 396 OE2 GLU A 29 6.091 7.984 9.667 1.00 0.00 O ATOM 0 H GLU A 29 6.088 7.533 4.676 1.00 0.00 H new ATOM 0 HA GLU A 29 3.530 7.976 5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.199 9.334 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.784 9.462 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.834 7.011 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.243 6.878 6.667 1.00 0.00 H new ATOM 403 N ASP A 30 4.779 10.476 4.009 1.00 0.00 N ATOM 404 CA ASP A 30 4.445 11.744 3.369 1.00 0.00 C ATOM 405 C ASP A 30 3.265 11.582 2.415 1.00 0.00 C ATOM 406 O ASP A 30 2.460 12.499 2.246 1.00 0.00 O ATOM 407 CB ASP A 30 5.657 12.291 2.612 1.00 0.00 C ATOM 408 CG ASP A 30 5.360 13.603 1.913 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.499 14.664 2.559 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.991 13.571 0.721 1.00 0.00 O ATOM 0 H ASP A 30 5.706 10.119 3.777 1.00 0.00 H new ATOM 0 HA ASP A 30 4.161 12.451 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.483 12.433 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.984 11.556 1.876 1.00 0.00 H new ATOM 415 N ILE A 31 3.168 10.409 1.795 1.00 0.00 N ATOM 416 CA ILE A 31 2.092 10.126 0.853 1.00 0.00 C ATOM 417 C ILE A 31 0.766 9.900 1.575 1.00 0.00 C ATOM 418 O ILE A 31 -0.286 10.338 1.109 1.00 0.00 O ATOM 419 CB ILE A 31 2.418 8.891 -0.010 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.719 9.116 -0.785 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.272 8.587 -0.966 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.248 7.870 -1.460 1.00 0.00 C ATOM 0 H ILE A 31 3.823 9.639 1.929 1.00 0.00 H new ATOM 0 HA ILE A 31 1.998 10.999 0.207 1.00 0.00 H new ATOM 0 HB ILE A 31 2.549 8.032 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.554 9.885 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.477 9.498 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.521 7.712 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.365 8.389 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.109 9.442 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.171 8.107 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.446 7.106 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.508 7.499 -2.169 1.00 0.00 H new ATOM 434 N ILE A 32 0.822 9.217 2.713 1.00 0.00 N ATOM 435 CA ILE A 32 -0.377 8.931 3.493 1.00 0.00 C ATOM 436 C ILE A 32 -1.028 10.214 4.002 1.00 0.00 C ATOM 437 O ILE A 32 -2.253 10.332 4.022 1.00 0.00 O ATOM 438 CB ILE A 32 -0.065 8.009 4.691 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.448 6.656 4.192 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.301 7.829 5.564 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.897 5.727 5.300 1.00 0.00 C ATOM 0 H ILE A 32 1.685 8.851 3.116 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.071 8.421 2.825 1.00 0.00 H new ATOM 0 HB ILE A 32 0.712 8.473 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.340 6.168 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.282 6.823 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.062 7.176 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.625 8.799 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.101 7.383 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.247 4.789 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.707 6.194 5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.060 5.529 5.970 1.00 0.00 H new ATOM 453 N MET A 33 -0.203 11.172 4.409 1.00 0.00 N ATOM 454 CA MET A 33 -0.704 12.443 4.922 1.00 0.00 C ATOM 455 C MET A 33 -0.886 13.461 3.799 1.00 0.00 C ATOM 456 O MET A 33 -1.148 14.637 4.055 1.00 0.00 O ATOM 457 CB MET A 33 0.248 12.997 5.984 1.00 0.00 C ATOM 458 CG MET A 33 0.431 12.072 7.177 1.00 0.00 C ATOM 459 SD MET A 33 1.502 12.776 8.446 1.00 0.00 S ATOM 460 CE MET A 33 3.047 12.913 7.551 1.00 0.00 C ATOM 0 H MET A 33 0.814 11.094 4.394 1.00 0.00 H new ATOM 0 HA MET A 33 -1.679 12.261 5.375 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.220 13.184 5.527 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.130 13.958 6.334 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.543 11.850 7.612 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.851 11.126 6.837 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.869 13.022 8.259 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.201 12.016 6.952 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.013 13.784 6.897 1.00 0.00 H new ATOM 470 N ASP A 34 -0.748 13.005 2.557 1.00 0.00 N ATOM 471 CA ASP A 34 -0.902 13.883 1.401 1.00 0.00 C ATOM 472 C ASP A 34 -2.374 14.191 1.145 1.00 0.00 C ATOM 473 O ASP A 34 -3.215 13.292 1.142 1.00 0.00 O ATOM 474 CB ASP A 34 -0.280 13.245 0.158 1.00 0.00 C ATOM 475 CG ASP A 34 -0.326 14.166 -1.045 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.613 14.972 -1.213 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.302 14.081 -1.821 1.00 0.00 O ATOM 0 H ASP A 34 -0.531 12.036 2.326 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.384 14.817 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.755 12.978 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.807 12.320 -0.075 1.00 0.00 H new ATOM 482 N ASP A 35 -2.674 15.466 0.923 1.00 0.00 N ATOM 483 CA ASP A 35 -4.045 15.900 0.673 1.00 0.00 C ATOM 484 C ASP A 35 -4.625 15.221 -0.565 1.00 0.00 C ATOM 485 O ASP A 35 -5.725 14.670 -0.521 1.00 0.00 O ATOM 486 CB ASP A 35 -4.096 17.419 0.505 1.00 0.00 C ATOM 487 CG ASP A 35 -5.492 17.921 0.191 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.304 18.047 1.132 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.772 18.190 -0.996 1.00 0.00 O ATOM 0 H ASP A 35 -1.986 16.219 0.911 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.649 15.612 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.739 17.895 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.418 17.716 -0.295 1.00 0.00 H new ATOM 494 N GLU A 36 -3.881 15.263 -1.665 1.00 0.00 N ATOM 495 CA GLU A 36 -4.328 14.656 -2.914 1.00 0.00 C ATOM 496 C GLU A 36 -4.518 13.149 -2.749 1.00 0.00 C ATOM 497 O GLU A 36 -5.250 12.519 -3.512 1.00 0.00 O ATOM 498 CB GLU A 36 -3.324 14.943 -4.033 1.00 0.00 C ATOM 499 CG GLU A 36 -3.765 14.431 -5.396 1.00 0.00 C ATOM 500 CD GLU A 36 -5.051 15.079 -5.873 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.987 16.217 -6.383 1.00 0.00 O ATOM 502 OE2 GLU A 36 -6.119 14.447 -5.737 1.00 0.00 O ATOM 0 H GLU A 36 -2.966 15.711 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.289 15.095 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.160 16.019 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.367 14.488 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.976 14.619 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.903 13.351 -5.347 1.00 0.00 H new ATOM 509 N PHE A 37 -3.855 12.580 -1.747 1.00 0.00 N ATOM 510 CA PHE A 37 -3.951 11.148 -1.482 1.00 0.00 C ATOM 511 C PHE A 37 -5.253 10.812 -0.758 1.00 0.00 C ATOM 512 O PHE A 37 -5.945 9.860 -1.118 1.00 0.00 O ATOM 513 CB PHE A 37 -2.754 10.686 -0.650 1.00 0.00 C ATOM 514 CG PHE A 37 -2.833 9.248 -0.218 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.577 8.224 -1.115 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.160 8.925 1.088 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.648 6.903 -0.718 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.233 7.605 1.492 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.977 6.593 0.588 1.00 0.00 C ATOM 0 H PHE A 37 -3.246 13.088 -1.106 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.946 10.624 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.843 10.832 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.673 11.317 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.319 8.461 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.360 9.713 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.447 6.114 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.490 7.366 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.034 5.561 0.901 1.00 0.00 H new ATOM 529 N GLN A 38 -5.578 11.600 0.262 1.00 0.00 N ATOM 530 CA GLN A 38 -6.794 11.385 1.041 1.00 0.00 C ATOM 531 C GLN A 38 -8.038 11.676 0.207 1.00 0.00 C ATOM 532 O GLN A 38 -9.064 11.010 0.354 1.00 0.00 O ATOM 533 CB GLN A 38 -6.784 12.267 2.290 1.00 0.00 C ATOM 534 CG GLN A 38 -5.570 12.052 3.181 1.00 0.00 C ATOM 535 CD GLN A 38 -5.566 12.961 4.395 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.620 13.346 4.901 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.375 13.312 4.867 1.00 0.00 N ATOM 0 H GLN A 38 -5.016 12.394 0.569 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.822 10.338 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.819 13.313 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.687 12.073 2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.546 11.013 3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.664 12.224 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.527 12.969 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.309 13.924 5.680 1.00 0.00 H new ATOM 546 N LEU A 39 -7.942 12.673 -0.666 1.00 0.00 N ATOM 547 CA LEU A 39 -9.061 13.054 -1.522 1.00 0.00 C ATOM 548 C LEU A 39 -9.362 11.954 -2.536 1.00 0.00 C ATOM 549 O LEU A 39 -10.497 11.486 -2.639 1.00 0.00 O ATOM 550 CB LEU A 39 -8.746 14.373 -2.243 1.00 0.00 C ATOM 551 CG LEU A 39 -9.944 15.102 -2.874 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.434 14.378 -4.120 1.00 0.00 C ATOM 553 CD2 LEU A 39 -11.077 15.256 -1.867 1.00 0.00 C ATOM 0 H LEU A 39 -7.100 13.233 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.944 13.194 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.270 15.048 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.016 14.170 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.608 16.096 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.281 14.917 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.629 14.332 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.743 13.367 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.913 15.774 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.403 14.271 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.727 15.833 -1.011 1.00 0.00 H new ATOM 565 N LEU A 40 -8.341 11.547 -3.282 1.00 0.00 N ATOM 566 CA LEU A 40 -8.495 10.504 -4.289 1.00 0.00 C ATOM 567 C LEU A 40 -8.931 9.185 -3.655 1.00 0.00 C ATOM 568 O LEU A 40 -9.730 8.446 -4.229 1.00 0.00 O ATOM 569 CB LEU A 40 -7.184 10.317 -5.062 1.00 0.00 C ATOM 570 CG LEU A 40 -7.162 9.137 -6.038 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.375 9.495 -7.289 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.562 7.907 -5.372 1.00 0.00 C ATOM 0 H LEU A 40 -7.396 11.924 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.275 10.816 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.976 11.231 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.374 10.189 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.188 8.911 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.370 8.645 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.840 10.351 -7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.350 9.746 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.554 7.078 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.542 8.125 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.160 7.636 -4.502 1.00 0.00 H new ATOM 584 N GLN A 41 -8.404 8.896 -2.470 1.00 0.00 N ATOM 585 CA GLN A 41 -8.739 7.661 -1.766 1.00 0.00 C ATOM 586 C GLN A 41 -10.232 7.595 -1.459 1.00 0.00 C ATOM 587 O GLN A 41 -10.902 6.623 -1.804 1.00 0.00 O ATOM 588 CB GLN A 41 -7.935 7.550 -0.469 1.00 0.00 C ATOM 589 CG GLN A 41 -8.237 6.291 0.328 1.00 0.00 C ATOM 590 CD GLN A 41 -7.434 6.202 1.611 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.331 5.656 1.630 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.986 6.739 2.693 1.00 0.00 N ATOM 0 H GLN A 41 -7.745 9.498 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.483 6.824 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.872 7.573 -0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.141 8.422 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.300 6.264 0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.027 5.417 -0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.903 7.182 2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.493 6.709 3.585 1.00 0.00 H new ATOM 601 N ARG A 42 -10.744 8.636 -0.814 1.00 0.00 N ATOM 602 CA ARG A 42 -12.156 8.697 -0.452 1.00 0.00 C ATOM 603 C ARG A 42 -13.046 8.725 -1.691 1.00 0.00 C ATOM 604 O ARG A 42 -14.160 8.201 -1.678 1.00 0.00 O ATOM 605 CB ARG A 42 -12.424 9.933 0.409 1.00 0.00 C ATOM 606 CG ARG A 42 -13.816 9.963 1.020 1.00 0.00 C ATOM 607 CD ARG A 42 -13.987 11.150 1.954 1.00 0.00 C ATOM 608 NE ARG A 42 -12.990 11.150 3.021 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.877 12.115 3.929 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.707 13.151 3.908 1.00 0.00 N ATOM 611 NH2 ARG A 42 -11.938 12.043 4.860 1.00 0.00 N ATOM 0 H ARG A 42 -10.202 9.452 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.396 7.799 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.685 9.975 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.285 10.826 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.562 10.012 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.994 9.038 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.908 12.075 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.986 11.128 2.390 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.342 10.364 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.433 13.208 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.618 13.890 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.301 11.247 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.852 12.784 5.556 1.00 0.00 H new ATOM 625 N ASN A 43 -12.545 9.337 -2.759 1.00 0.00 N ATOM 626 CA ASN A 43 -13.298 9.443 -4.006 1.00 0.00 C ATOM 627 C ASN A 43 -13.650 8.068 -4.569 1.00 0.00 C ATOM 628 O ASN A 43 -14.802 7.809 -4.919 1.00 0.00 O ATOM 629 CB ASN A 43 -12.499 10.235 -5.041 1.00 0.00 C ATOM 630 CG ASN A 43 -13.234 10.369 -6.360 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.091 9.532 -7.252 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.029 11.424 -6.490 1.00 0.00 N ATOM 0 H ASN A 43 -11.621 9.768 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.228 9.967 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.282 11.228 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.541 9.743 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.551 11.566 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.118 12.093 -5.725 1.00 0.00 H new ATOM 639 N PHE A 44 -12.656 7.189 -4.653 1.00 0.00 N ATOM 640 CA PHE A 44 -12.869 5.847 -5.182 1.00 0.00 C ATOM 641 C PHE A 44 -13.530 4.942 -4.146 1.00 0.00 C ATOM 642 O PHE A 44 -14.403 4.143 -4.478 1.00 0.00 O ATOM 643 CB PHE A 44 -11.543 5.240 -5.649 1.00 0.00 C ATOM 644 CG PHE A 44 -11.087 5.760 -6.983 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.377 6.946 -7.075 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.371 5.061 -8.145 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.960 7.426 -8.302 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.956 5.536 -9.375 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.249 6.720 -9.454 1.00 0.00 C ATOM 0 H PHE A 44 -11.697 7.382 -4.362 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.541 5.927 -6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.775 5.447 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.648 4.157 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.147 7.502 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.923 4.134 -8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.408 8.353 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.184 4.982 -10.273 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.923 7.093 -10.414 1.00 0.00 H new ATOM 659 N MET A 45 -13.111 5.076 -2.891 1.00 0.00 N ATOM 660 CA MET A 45 -13.669 4.269 -1.809 1.00 0.00 C ATOM 661 C MET A 45 -15.176 4.469 -1.697 1.00 0.00 C ATOM 662 O MET A 45 -15.891 3.601 -1.197 1.00 0.00 O ATOM 663 CB MET A 45 -12.998 4.622 -0.480 1.00 0.00 C ATOM 664 CG MET A 45 -11.582 4.084 -0.353 1.00 0.00 C ATOM 665 SD MET A 45 -11.529 2.285 -0.232 1.00 0.00 S ATOM 666 CE MET A 45 -12.397 2.026 1.314 1.00 0.00 C ATOM 0 H MET A 45 -12.389 5.734 -2.598 1.00 0.00 H new ATOM 0 HA MET A 45 -13.476 3.221 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.977 5.706 -0.369 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.602 4.230 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.998 4.403 -1.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.111 4.517 0.529 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.178 1.027 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.071 2.768 2.043 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.470 2.125 1.150 1.00 0.00 H new ATOM 676 N ASP A 46 -15.653 5.618 -2.165 1.00 0.00 N ATOM 677 CA ASP A 46 -17.077 5.934 -2.121 1.00 0.00 C ATOM 678 C ASP A 46 -17.879 4.968 -2.989 1.00 0.00 C ATOM 679 O ASP A 46 -19.036 4.671 -2.696 1.00 0.00 O ATOM 680 CB ASP A 46 -17.316 7.371 -2.586 1.00 0.00 C ATOM 681 CG ASP A 46 -18.786 7.742 -2.574 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.295 8.117 -1.497 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.429 7.654 -3.641 1.00 0.00 O ATOM 0 H ASP A 46 -15.073 6.347 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.413 5.831 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.765 8.056 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.920 7.495 -3.594 1.00 0.00 H new ATOM 688 N LYS A 47 -17.258 4.490 -4.060 1.00 0.00 N ATOM 689 CA LYS A 47 -17.913 3.560 -4.974 1.00 0.00 C ATOM 690 C LYS A 47 -17.589 2.117 -4.606 1.00 0.00 C ATOM 691 O LYS A 47 -18.469 1.256 -4.583 1.00 0.00 O ATOM 692 CB LYS A 47 -17.468 3.835 -6.409 1.00 0.00 C ATOM 693 CG LYS A 47 -18.370 3.202 -7.457 1.00 0.00 C ATOM 694 CD LYS A 47 -19.754 3.832 -7.459 1.00 0.00 C ATOM 695 CE LYS A 47 -19.807 5.069 -8.342 1.00 0.00 C ATOM 696 NZ LYS A 47 -18.892 6.141 -7.862 1.00 0.00 N ATOM 0 H LYS A 47 -16.301 4.731 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.990 3.706 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.437 4.912 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.452 3.463 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.918 3.313 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.457 2.133 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.485 3.103 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.034 4.100 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.541 4.796 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.828 5.450 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.159 7.046 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.963 6.221 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.914 5.906 -8.124 1.00 0.00 H new ATOM 710 N TYR A 48 -16.316 1.865 -4.323 1.00 0.00 N ATOM 711 CA TYR A 48 -15.853 0.528 -3.957 1.00 0.00 C ATOM 712 C TYR A 48 -16.651 -0.049 -2.789 1.00 0.00 C ATOM 713 O TYR A 48 -17.103 -1.193 -2.845 1.00 0.00 O ATOM 714 CB TYR A 48 -14.368 0.563 -3.592 1.00 0.00 C ATOM 715 CG TYR A 48 -13.435 0.536 -4.783 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.491 1.521 -5.761 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.491 -0.473 -4.922 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.633 1.500 -6.844 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.630 -0.502 -6.003 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.705 0.487 -6.959 1.00 0.00 C ATOM 721 OH TYR A 48 -10.850 0.464 -8.035 1.00 0.00 O ATOM 0 H TYR A 48 -15.581 2.572 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.005 -0.116 -4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.170 1.463 -3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.143 -0.288 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.217 2.316 -5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.428 -1.248 -4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.689 2.273 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.903 -1.295 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.940 0.670 -7.734 1.00 0.00 H new ATOM 731 N TYR A 49 -16.821 0.744 -1.735 1.00 0.00 N ATOM 732 CA TYR A 49 -17.548 0.290 -0.552 1.00 0.00 C ATOM 733 C TYR A 49 -19.023 0.034 -0.865 1.00 0.00 C ATOM 734 O TYR A 49 -19.706 -0.673 -0.124 1.00 0.00 O ATOM 735 CB TYR A 49 -17.402 1.307 0.591 1.00 0.00 C ATOM 736 CG TYR A 49 -18.603 2.208 0.793 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.783 3.345 0.018 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.552 1.921 1.767 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.876 4.170 0.204 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.648 2.741 1.960 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.805 3.863 1.176 1.00 0.00 C ATOM 742 OH TYR A 49 -21.894 4.682 1.363 1.00 0.00 O ATOM 0 H TYR A 49 -16.468 1.699 -1.675 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.111 -0.656 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.210 0.766 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.527 1.928 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.057 3.589 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.431 1.043 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.002 5.050 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.377 2.504 2.721 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.452 4.324 2.085 1.00 0.00 H new ATOM 752 N LEU A 50 -19.511 0.611 -1.960 1.00 0.00 N ATOM 753 CA LEU A 50 -20.905 0.431 -2.358 1.00 0.00 C ATOM 754 C LEU A 50 -21.124 -0.944 -2.982 1.00 0.00 C ATOM 755 O LEU A 50 -22.058 -1.658 -2.618 1.00 0.00 O ATOM 756 CB LEU A 50 -21.332 1.523 -3.342 1.00 0.00 C ATOM 757 CG LEU A 50 -21.578 2.900 -2.722 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.894 3.921 -3.803 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.712 2.831 -1.710 1.00 0.00 C ATOM 0 H LEU A 50 -18.965 1.204 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.518 0.505 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.563 1.620 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.244 1.200 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.671 3.213 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.066 4.895 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.055 3.989 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.788 3.612 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.875 3.818 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.623 2.498 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.452 2.127 -0.919 1.00 0.00 H new ATOM 771 N GLU A 51 -20.259 -1.308 -3.925 1.00 0.00 N ATOM 772 CA GLU A 51 -20.360 -2.598 -4.599 1.00 0.00 C ATOM 773 C GLU A 51 -20.199 -3.746 -3.608 1.00 0.00 C ATOM 774 O GLU A 51 -20.879 -4.767 -3.709 1.00 0.00 O ATOM 775 CB GLU A 51 -19.300 -2.705 -5.697 1.00 0.00 C ATOM 776 CG GLU A 51 -19.386 -1.597 -6.733 1.00 0.00 C ATOM 777 CD GLU A 51 -18.338 -1.733 -7.820 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.216 -1.218 -7.631 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.639 -2.356 -8.861 1.00 0.00 O ATOM 0 H GLU A 51 -19.481 -0.728 -4.239 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.350 -2.668 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.311 -2.687 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.402 -3.668 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.377 -1.604 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.269 -0.633 -6.239 1.00 0.00 H new ATOM 786 N PHE A 52 -19.295 -3.569 -2.650 1.00 0.00 N ATOM 787 CA PHE A 52 -19.044 -4.589 -1.637 1.00 0.00 C ATOM 788 C PHE A 52 -20.123 -4.561 -0.560 1.00 0.00 C ATOM 789 O PHE A 52 -19.963 -3.917 0.477 1.00 0.00 O ATOM 790 CB PHE A 52 -17.668 -4.386 -1.002 1.00 0.00 C ATOM 791 CG PHE A 52 -16.535 -4.927 -1.828 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.086 -4.244 -2.948 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.915 -6.117 -1.482 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.042 -4.738 -3.706 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.871 -6.617 -2.235 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.433 -5.926 -3.349 1.00 0.00 C ATOM 0 H PHE A 52 -18.724 -2.729 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 52 -19.067 -5.563 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.508 -3.321 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.655 -4.867 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.558 -3.315 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -16.253 -6.661 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.702 -4.196 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.398 -7.546 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.616 -6.314 -3.940 1.00 0.00 H new ATOM 806 N GLU A 53 -21.226 -5.258 -0.818 1.00 0.00 N ATOM 807 CA GLU A 53 -22.330 -5.317 0.132 1.00 0.00 C ATOM 808 C GLU A 53 -22.178 -6.520 1.060 1.00 0.00 C ATOM 809 O GLU A 53 -21.786 -7.604 0.627 1.00 0.00 O ATOM 810 CB GLU A 53 -23.673 -5.382 -0.605 1.00 0.00 C ATOM 811 CG GLU A 53 -23.907 -6.683 -1.358 1.00 0.00 C ATOM 812 CD GLU A 53 -22.975 -6.855 -2.543 1.00 0.00 C ATOM 813 OE1 GLU A 53 -23.283 -6.310 -3.624 1.00 0.00 O ATOM 814 OE2 GLU A 53 -21.937 -7.533 -2.389 1.00 0.00 O ATOM 0 H GLU A 53 -21.378 -5.789 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.308 -4.409 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.478 -5.243 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.729 -4.552 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.776 -7.521 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.939 -6.715 -1.706 1.00 0.00 H new ATOM 821 N ASP A 54 -22.488 -6.319 2.337 1.00 0.00 N ATOM 822 CA ASP A 54 -22.381 -7.378 3.324 1.00 0.00 C ATOM 823 C ASP A 54 -23.416 -8.473 3.074 1.00 0.00 C ATOM 824 O ASP A 54 -24.548 -8.397 3.552 1.00 0.00 O ATOM 825 CB ASP A 54 -22.551 -6.793 4.724 1.00 0.00 C ATOM 826 CG ASP A 54 -23.744 -5.862 4.824 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.590 -4.664 4.506 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.832 -6.329 5.221 1.00 0.00 O ATOM 0 H ASP A 54 -22.816 -5.428 2.710 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.393 -7.831 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.667 -7.605 5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.647 -6.250 5.000 1.00 0.00 H new ATOM 833 N THR A 55 -23.016 -9.487 2.312 1.00 0.00 N ATOM 834 CA THR A 55 -23.895 -10.605 1.992 1.00 0.00 C ATOM 835 C THR A 55 -23.118 -11.915 1.977 1.00 0.00 C ATOM 836 O THR A 55 -21.887 -11.916 2.014 1.00 0.00 O ATOM 837 CB THR A 55 -24.578 -10.414 0.624 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.590 -10.235 -0.398 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.514 -9.214 0.646 1.00 0.00 C ATOM 0 H THR A 55 -22.084 -9.556 1.903 1.00 0.00 H new ATOM 0 HA THR A 55 -24.661 -10.640 2.767 1.00 0.00 H new ATOM 0 HB THR A 55 -25.164 -11.308 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 55 -24.033 -10.116 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.984 -9.101 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.283 -9.367 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.946 -8.314 0.882 1.00 0.00 H new ATOM 847 N GLU A 56 -23.839 -13.030 1.924 1.00 0.00 N ATOM 848 CA GLU A 56 -23.209 -14.344 1.900 1.00 0.00 C ATOM 849 C GLU A 56 -23.017 -14.824 0.466 1.00 0.00 C ATOM 850 O GLU A 56 -22.249 -15.752 0.209 1.00 0.00 O ATOM 851 CB GLU A 56 -24.052 -15.354 2.681 1.00 0.00 C ATOM 852 CG GLU A 56 -25.458 -15.528 2.129 1.00 0.00 C ATOM 853 CD GLU A 56 -26.286 -16.505 2.940 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.150 -17.726 2.715 1.00 0.00 O ATOM 855 OE2 GLU A 56 -27.068 -16.049 3.799 1.00 0.00 O ATOM 0 H GLU A 56 -24.858 -13.050 1.897 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.230 -14.260 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.546 -16.319 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.116 -15.034 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.959 -14.560 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.399 -15.876 1.098 1.00 0.00 H new ATOM 862 N GLU A 57 -23.717 -14.182 -0.464 1.00 0.00 N ATOM 863 CA GLU A 57 -23.629 -14.540 -1.876 1.00 0.00 C ATOM 864 C GLU A 57 -22.326 -14.033 -2.486 1.00 0.00 C ATOM 865 O GLU A 57 -22.031 -12.838 -2.439 1.00 0.00 O ATOM 866 CB GLU A 57 -24.824 -13.965 -2.642 1.00 0.00 C ATOM 867 CG GLU A 57 -24.838 -14.332 -4.117 1.00 0.00 C ATOM 868 CD GLU A 57 -24.861 -15.832 -4.347 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.968 -16.409 -4.386 1.00 0.00 O ATOM 870 OE2 GLU A 57 -23.773 -16.428 -4.490 1.00 0.00 O ATOM 0 H GLU A 57 -24.353 -13.410 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.644 -15.627 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.745 -14.319 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.817 -12.879 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -25.711 -13.882 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.958 -13.908 -4.601 1.00 0.00 H new ATOM 877 N ASN A 58 -21.551 -14.950 -3.057 1.00 0.00 N ATOM 878 CA ASN A 58 -20.279 -14.597 -3.680 1.00 0.00 C ATOM 879 C ASN A 58 -20.500 -14.030 -5.078 1.00 0.00 C ATOM 880 O ASN A 58 -21.359 -14.504 -5.823 1.00 0.00 O ATOM 881 CB ASN A 58 -19.365 -15.822 -3.751 1.00 0.00 C ATOM 882 CG ASN A 58 -19.062 -16.402 -2.383 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.881 -16.324 -1.467 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.879 -16.987 -2.237 1.00 0.00 N ATOM 0 H ASN A 58 -21.781 -15.943 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.801 -13.832 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.835 -16.586 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.431 -15.546 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.619 -17.394 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.230 -17.029 -3.023 1.00 0.00 H new ATOM 891 N LYS A 59 -19.721 -13.013 -5.428 1.00 0.00 N ATOM 892 CA LYS A 59 -19.830 -12.378 -6.737 1.00 0.00 C ATOM 893 C LYS A 59 -18.478 -12.362 -7.449 1.00 0.00 C ATOM 894 O LYS A 59 -17.434 -12.217 -6.816 1.00 0.00 O ATOM 895 CB LYS A 59 -20.362 -10.951 -6.590 1.00 0.00 C ATOM 896 CG LYS A 59 -21.766 -10.882 -6.010 1.00 0.00 C ATOM 897 CD LYS A 59 -22.242 -9.445 -5.867 1.00 0.00 C ATOM 898 CE LYS A 59 -23.671 -9.378 -5.354 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.814 -10.018 -4.017 1.00 0.00 N ATOM 0 H LYS A 59 -19.006 -12.610 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.529 -12.958 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.685 -10.384 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.357 -10.468 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.453 -11.431 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.782 -11.370 -5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.584 -8.909 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.177 -8.942 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.986 -8.336 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.335 -9.870 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.755 -9.805 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.704 -11.048 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.083 -9.649 -3.376 1.00 0.00 H new ATOM 913 N LEU A 60 -18.509 -12.516 -8.768 1.00 0.00 N ATOM 914 CA LEU A 60 -17.289 -12.517 -9.568 1.00 0.00 C ATOM 915 C LEU A 60 -16.805 -11.093 -9.821 1.00 0.00 C ATOM 916 O LEU A 60 -15.709 -10.881 -10.341 1.00 0.00 O ATOM 917 CB LEU A 60 -17.528 -13.226 -10.904 1.00 0.00 C ATOM 918 CG LEU A 60 -17.923 -14.700 -10.796 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.265 -15.263 -12.167 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.805 -15.506 -10.151 1.00 0.00 C ATOM 0 H LEU A 60 -19.366 -12.642 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.521 -13.053 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.312 -12.695 -11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.621 -13.152 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.808 -14.773 -10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.543 -16.312 -12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.099 -14.704 -12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.398 -15.177 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.104 -16.552 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.902 -15.425 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.607 -15.119 -9.151 1.00 0.00 H new ATOM 932 N ILE A 61 -17.631 -10.122 -9.449 1.00 0.00 N ATOM 933 CA ILE A 61 -17.302 -8.716 -9.644 1.00 0.00 C ATOM 934 C ILE A 61 -16.118 -8.288 -8.776 1.00 0.00 C ATOM 935 O ILE A 61 -15.552 -7.212 -8.969 1.00 0.00 O ATOM 936 CB ILE A 61 -18.518 -7.817 -9.332 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.291 -6.397 -9.856 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.801 -7.797 -7.836 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.245 -6.310 -11.367 1.00 0.00 C ATOM 0 H ILE A 61 -18.537 -10.284 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.025 -8.597 -10.691 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.388 -8.233 -9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.087 -5.751 -9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.355 -6.014 -9.449 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.661 -7.158 -7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.014 -8.809 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -17.931 -7.409 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.081 -5.275 -11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.431 -6.930 -11.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.190 -6.663 -11.781 1.00 0.00 H new ATOM 951 N TYR A 62 -15.739 -9.139 -7.829 1.00 0.00 N ATOM 952 CA TYR A 62 -14.625 -8.837 -6.936 1.00 0.00 C ATOM 953 C TYR A 62 -13.291 -8.866 -7.680 1.00 0.00 C ATOM 954 O TYR A 62 -12.319 -8.249 -7.244 1.00 0.00 O ATOM 955 CB TYR A 62 -14.588 -9.825 -5.766 1.00 0.00 C ATOM 956 CG TYR A 62 -15.819 -9.789 -4.883 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.448 -8.588 -4.570 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.348 -10.961 -4.356 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.568 -8.559 -3.760 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.468 -10.938 -3.546 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.074 -9.736 -3.251 1.00 0.00 C ATOM 962 OH TYR A 62 -19.189 -9.710 -2.444 1.00 0.00 O ATOM 0 H TYR A 62 -16.185 -10.041 -7.660 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.780 -7.830 -6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.467 -10.834 -6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.710 -9.615 -5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.055 -7.663 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.876 -11.906 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -18.045 -7.618 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.867 -11.859 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.416 -10.623 -2.171 1.00 0.00 H new ATOM 972 N THR A 63 -13.249 -9.582 -8.801 1.00 0.00 N ATOM 973 CA THR A 63 -12.024 -9.685 -9.590 1.00 0.00 C ATOM 974 C THR A 63 -11.748 -8.402 -10.383 1.00 0.00 C ATOM 975 O THR A 63 -10.650 -7.850 -10.295 1.00 0.00 O ATOM 976 CB THR A 63 -12.067 -10.891 -10.552 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.232 -12.104 -9.808 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.793 -10.972 -11.382 1.00 0.00 C ATOM 0 H THR A 63 -14.043 -10.096 -9.182 1.00 0.00 H new ATOM 0 HA THR A 63 -11.211 -9.834 -8.879 1.00 0.00 H new ATOM 0 HB THR A 63 -12.913 -10.757 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.260 -12.865 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.849 -11.830 -12.051 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.683 -10.060 -11.969 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.934 -11.083 -10.720 1.00 0.00 H new ATOM 986 N PRO A 64 -12.725 -7.900 -11.172 1.00 0.00 N ATOM 987 CA PRO A 64 -12.542 -6.673 -11.956 1.00 0.00 C ATOM 988 C PRO A 64 -12.283 -5.459 -11.070 1.00 0.00 C ATOM 989 O PRO A 64 -11.432 -4.624 -11.381 1.00 0.00 O ATOM 990 CB PRO A 64 -13.868 -6.512 -12.709 1.00 0.00 C ATOM 991 CG PRO A 64 -14.847 -7.332 -11.945 1.00 0.00 C ATOM 992 CD PRO A 64 -14.064 -8.480 -11.379 1.00 0.00 C ATOM 0 HA PRO A 64 -11.677 -6.742 -12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.175 -5.467 -12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.782 -6.858 -13.739 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.312 -6.747 -11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.649 -7.687 -12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.496 -8.841 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.035 -9.326 -12.066 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.020 -5.366 -9.968 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.863 -4.253 -9.038 1.00 0.00 C ATOM 1002 C ILE A 65 -11.467 -4.249 -8.421 1.00 0.00 C ATOM 1003 O ILE A 65 -10.816 -3.207 -8.343 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.916 -4.306 -7.912 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.327 -4.237 -8.500 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.694 -3.173 -6.920 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.420 -4.502 -7.485 1.00 0.00 C ATOM 0 H ILE A 65 -13.730 -6.046 -9.697 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.006 -3.337 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.808 -5.252 -7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.481 -3.251 -8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.410 -4.962 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.446 -3.226 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.701 -3.264 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.776 -2.216 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.393 -4.437 -7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.291 -5.499 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.363 -3.761 -6.687 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.015 -5.421 -7.982 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.695 -5.555 -7.373 1.00 0.00 C ATOM 1021 C PHE A 66 -8.605 -5.065 -8.324 1.00 0.00 C ATOM 1022 O PHE A 66 -7.711 -4.320 -7.923 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.436 -7.013 -6.983 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.145 -7.220 -6.241 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.011 -6.801 -4.927 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.067 -7.837 -6.857 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.828 -6.993 -4.240 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.880 -8.032 -6.176 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.761 -7.610 -4.866 1.00 0.00 C ATOM 0 H PHE A 66 -11.544 -6.292 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.671 -4.938 -6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.261 -7.366 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.429 -7.625 -7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.842 -6.318 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.156 -8.169 -7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.737 -6.662 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.047 -8.513 -6.667 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.835 -7.762 -4.331 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.690 -5.484 -9.584 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.713 -5.089 -10.594 1.00 0.00 C ATOM 1041 C ASN A 67 -7.625 -3.571 -10.708 1.00 0.00 C ATOM 1042 O ASN A 67 -6.532 -3.006 -10.784 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.078 -5.692 -11.953 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.946 -7.202 -11.970 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -8.067 -7.861 -10.939 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.697 -7.759 -13.151 1.00 0.00 N ATOM 0 H ASN A 67 -9.427 -6.098 -9.930 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.739 -5.468 -10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.102 -5.417 -12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.434 -5.265 -12.722 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.599 -8.771 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.604 -7.174 -13.981 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.782 -2.916 -10.721 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.841 -1.461 -10.826 1.00 0.00 C ATOM 1055 C GLU A 68 -8.142 -0.799 -9.642 1.00 0.00 C ATOM 1056 O GLU A 68 -7.542 0.266 -9.778 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.296 -0.998 -10.899 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.454 0.508 -11.035 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.905 0.929 -11.164 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.560 1.128 -10.120 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.385 1.058 -12.309 1.00 0.00 O ATOM 0 H GLU A 68 -9.693 -3.370 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.324 -1.165 -11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.780 -1.483 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.819 -1.329 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.013 0.997 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.900 0.851 -11.909 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.226 -1.440 -8.481 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.606 -0.922 -7.266 1.00 0.00 C ATOM 1070 C TYR A 69 -6.084 -1.009 -7.357 1.00 0.00 C ATOM 1071 O TYR A 69 -5.367 -0.143 -6.854 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.106 -1.712 -6.054 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.736 -1.101 -4.722 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.527 -0.115 -4.147 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.603 -1.518 -4.035 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.198 0.440 -2.925 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.267 -0.967 -2.814 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.067 0.011 -2.262 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.737 0.560 -1.044 1.00 0.00 O ATOM 0 H TYR A 69 -8.720 -2.324 -8.355 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.883 0.126 -7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.191 -1.798 -6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.703 -2.724 -6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.413 0.223 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.975 -2.285 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.823 1.206 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.381 -1.301 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.913 0.147 -0.711 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.606 -2.064 -8.006 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.175 -2.290 -8.171 1.00 0.00 C ATOM 1091 C ILE A 70 -3.570 -1.342 -9.204 1.00 0.00 C ATOM 1092 O ILE A 70 -2.392 -0.994 -9.129 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.896 -3.747 -8.592 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.545 -4.717 -7.596 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.399 -4.001 -8.700 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.967 -4.639 -6.197 1.00 0.00 C ATOM 0 H ILE A 70 -6.194 -2.782 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.708 -2.095 -7.206 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.335 -3.915 -9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.614 -4.512 -7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.432 -5.735 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.226 -5.035 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.969 -3.332 -9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.928 -3.818 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.477 -5.354 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.903 -4.874 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.104 -3.632 -5.802 1.00 0.00 H new ATOM 1108 N SER A 71 -4.377 -0.930 -10.175 1.00 0.00 N ATOM 1109 CA SER A 71 -3.907 -0.031 -11.222 1.00 0.00 C ATOM 1110 C SER A 71 -4.106 1.430 -10.830 1.00 0.00 C ATOM 1111 O SER A 71 -3.404 2.313 -11.321 1.00 0.00 O ATOM 1112 CB SER A 71 -4.635 -0.320 -12.536 1.00 0.00 C ATOM 1113 OG SER A 71 -4.178 0.531 -13.571 1.00 0.00 O ATOM 0 H SER A 71 -5.356 -1.203 -10.259 1.00 0.00 H new ATOM 0 HA SER A 71 -2.839 -0.206 -11.356 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.478 -1.360 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.708 -0.186 -12.398 1.00 0.00 H new ATOM 0 HG SER A 71 -4.658 0.325 -14.400 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.080 1.686 -9.964 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.363 3.047 -9.521 1.00 0.00 C ATOM 1121 C LEU A 72 -4.574 3.411 -8.260 1.00 0.00 C ATOM 1122 O LEU A 72 -3.729 4.306 -8.282 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.870 3.204 -9.267 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.408 4.643 -9.258 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.957 5.387 -8.009 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.975 5.389 -10.513 1.00 0.00 C ATOM 0 H LEU A 72 -5.685 0.973 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.050 3.730 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.407 2.642 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.106 2.744 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.497 4.594 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.352 6.403 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.328 4.870 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.868 5.421 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.367 6.406 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.886 5.421 -10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.361 4.875 -11.393 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.849 2.700 -7.169 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.195 2.969 -5.888 1.00 0.00 C ATOM 1140 C VAL A 73 -2.744 2.494 -5.843 1.00 0.00 C ATOM 1141 O VAL A 73 -1.830 3.300 -5.665 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.972 2.320 -4.726 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.330 2.660 -3.389 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.426 2.762 -4.755 1.00 0.00 C ATOM 0 H VAL A 73 -5.520 1.933 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.194 4.054 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.937 1.237 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.896 2.191 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.304 2.292 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.330 3.741 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.964 2.297 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.479 3.846 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.879 2.460 -5.699 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.534 1.189 -5.996 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.187 0.623 -5.945 1.00 0.00 C ATOM 1156 C GLU A 74 -0.252 1.328 -6.922 1.00 0.00 C ATOM 1157 O GLU A 74 0.916 1.561 -6.613 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.220 -0.878 -6.234 1.00 0.00 C ATOM 1159 CG GLU A 74 0.140 -1.549 -6.112 1.00 0.00 C ATOM 1160 CD GLU A 74 0.095 -3.027 -6.448 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.291 -3.825 -5.568 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.446 -3.386 -7.591 1.00 0.00 O ATOM 0 H GLU A 74 -3.274 0.506 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.802 0.777 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.916 -1.357 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.606 -1.038 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.847 -1.051 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.513 -1.423 -5.096 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.769 1.666 -8.097 1.00 0.00 N ATOM 1170 CA LYS A 75 0.031 2.349 -9.106 1.00 0.00 C ATOM 1171 C LYS A 75 0.338 3.775 -8.663 1.00 0.00 C ATOM 1172 O LYS A 75 1.422 4.295 -8.928 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.698 2.363 -10.450 1.00 0.00 C ATOM 1174 CG LYS A 75 0.201 2.702 -11.627 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.604 2.940 -12.894 1.00 0.00 C ATOM 1176 CE LYS A 75 0.300 3.135 -14.101 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.265 4.250 -13.898 1.00 0.00 N ATOM 0 H LYS A 75 -1.733 1.480 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 75 0.969 1.807 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.150 1.386 -10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.512 3.087 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.786 3.592 -11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.908 1.889 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.268 2.093 -13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.235 3.819 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.847 2.213 -14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.309 3.338 -14.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.732 4.473 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.758 5.090 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.980 3.967 -13.198 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.623 4.402 -7.988 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.449 5.767 -7.501 1.00 0.00 C ATOM 1193 C TYR A 76 0.760 5.856 -6.574 1.00 0.00 C ATOM 1194 O TYR A 76 1.594 6.751 -6.713 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.707 6.238 -6.768 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.630 7.670 -6.287 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.887 8.727 -7.152 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.302 7.966 -4.970 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.816 10.037 -6.719 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.231 9.275 -4.528 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.488 10.306 -5.407 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.418 11.609 -4.971 1.00 0.00 O ATOM 0 H TYR A 76 -1.528 3.987 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.279 6.416 -8.360 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.565 6.133 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.884 5.586 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.147 8.521 -8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.099 7.161 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.016 10.847 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.976 9.488 -3.500 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.176 11.624 -4.021 1.00 0.00 H new ATOM 1212 N ILE A 77 0.849 4.922 -5.631 1.00 0.00 N ATOM 1213 CA ILE A 77 1.961 4.891 -4.688 1.00 0.00 C ATOM 1214 C ILE A 77 3.279 4.650 -5.418 1.00 0.00 C ATOM 1215 O ILE A 77 4.300 5.259 -5.095 1.00 0.00 O ATOM 1216 CB ILE A 77 1.771 3.791 -3.624 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.484 4.032 -2.830 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.975 3.740 -2.690 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.151 2.916 -1.861 1.00 0.00 C ATOM 0 H ILE A 77 0.164 4.177 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 77 1.986 5.861 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 77 1.688 2.829 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.578 4.966 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.345 4.156 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.825 2.959 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.874 3.523 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.088 4.702 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.773 3.155 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.024 1.983 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.962 2.806 -1.141 1.00 0.00 H new ATOM 1231 N GLU A 78 3.244 3.758 -6.403 1.00 0.00 N ATOM 1232 CA GLU A 78 4.431 3.424 -7.180 1.00 0.00 C ATOM 1233 C GLU A 78 5.019 4.667 -7.846 1.00 0.00 C ATOM 1234 O GLU A 78 6.209 4.940 -7.720 1.00 0.00 O ATOM 1235 CB GLU A 78 4.085 2.377 -8.242 1.00 0.00 C ATOM 1236 CG GLU A 78 5.275 1.943 -9.084 1.00 0.00 C ATOM 1237 CD GLU A 78 4.910 0.875 -10.097 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.410 1.233 -11.184 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.127 -0.320 -9.803 1.00 0.00 O ATOM 0 H GLU A 78 2.403 3.252 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 78 5.178 3.015 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.660 1.501 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.314 2.780 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.683 2.809 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.061 1.565 -8.430 1.00 0.00 H new ATOM 1246 N GLU A 79 4.177 5.420 -8.543 1.00 0.00 N ATOM 1247 CA GLU A 79 4.623 6.629 -9.230 1.00 0.00 C ATOM 1248 C GLU A 79 5.179 7.658 -8.249 1.00 0.00 C ATOM 1249 O GLU A 79 6.259 8.208 -8.463 1.00 0.00 O ATOM 1250 CB GLU A 79 3.471 7.244 -10.028 1.00 0.00 C ATOM 1251 CG GLU A 79 2.943 6.340 -11.130 1.00 0.00 C ATOM 1252 CD GLU A 79 1.827 6.986 -11.926 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.652 6.843 -11.525 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.126 7.634 -12.951 1.00 0.00 O ATOM 0 H GLU A 79 3.183 5.217 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 79 5.423 6.343 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.656 7.485 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.806 8.183 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.760 6.077 -11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.581 5.411 -10.691 1.00 0.00 H new ATOM 1261 N GLN A 80 4.442 7.906 -7.170 1.00 0.00 N ATOM 1262 CA GLN A 80 4.853 8.882 -6.163 1.00 0.00 C ATOM 1263 C GLN A 80 6.213 8.542 -5.556 1.00 0.00 C ATOM 1264 O GLN A 80 6.990 9.436 -5.221 1.00 0.00 O ATOM 1265 CB GLN A 80 3.804 8.972 -5.052 1.00 0.00 C ATOM 1266 CG GLN A 80 2.480 9.567 -5.505 1.00 0.00 C ATOM 1267 CD GLN A 80 2.614 11.001 -5.980 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.490 11.738 -5.527 1.00 0.00 O ATOM 1269 NE2 GLN A 80 1.742 11.405 -6.895 1.00 0.00 N ATOM 0 H GLN A 80 3.555 7.444 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 80 4.941 9.845 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.625 7.974 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.203 9.575 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.070 8.959 -6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.768 9.527 -4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.032 10.760 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.782 12.360 -7.251 1.00 0.00 H new ATOM 1278 N LEU A 81 6.501 7.251 -5.417 1.00 0.00 N ATOM 1279 CA LEU A 81 7.766 6.814 -4.834 1.00 0.00 C ATOM 1280 C LEU A 81 8.902 6.920 -5.841 1.00 0.00 C ATOM 1281 O LEU A 81 10.024 7.295 -5.497 1.00 0.00 O ATOM 1282 CB LEU A 81 7.649 5.370 -4.336 1.00 0.00 C ATOM 1283 CG LEU A 81 6.828 5.185 -3.058 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.573 3.709 -2.800 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.539 5.819 -1.870 1.00 0.00 C ATOM 0 H LEU A 81 5.879 6.493 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 81 7.991 7.470 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.203 4.765 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.652 4.980 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 81 5.868 5.684 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.988 3.595 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.023 3.283 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.525 3.189 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.941 5.678 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.513 5.349 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.673 6.885 -2.053 1.00 0.00 H new ATOM 1297 N LEU A 82 8.596 6.593 -7.087 1.00 0.00 N ATOM 1298 CA LEU A 82 9.583 6.623 -8.157 1.00 0.00 C ATOM 1299 C LEU A 82 10.010 8.050 -8.484 1.00 0.00 C ATOM 1300 O LEU A 82 11.092 8.271 -9.028 1.00 0.00 O ATOM 1301 CB LEU A 82 9.021 5.935 -9.404 1.00 0.00 C ATOM 1302 CG LEU A 82 8.812 4.411 -9.307 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.804 3.686 -10.200 1.00 0.00 C ATOM 1304 CD2 LEU A 82 8.942 3.901 -7.876 1.00 0.00 C ATOM 0 H LEU A 82 7.665 6.302 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 82 10.468 6.084 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.064 6.397 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.693 6.136 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 82 7.795 4.205 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.645 2.610 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.660 4.000 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.820 3.927 -9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.787 2.822 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.938 4.130 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.194 4.385 -7.248 1.00 0.00 H new ATOM 1316 N GLN A 83 9.155 9.017 -8.155 1.00 0.00 N ATOM 1317 CA GLN A 83 9.458 10.422 -8.407 1.00 0.00 C ATOM 1318 C GLN A 83 10.805 10.800 -7.801 1.00 0.00 C ATOM 1319 O GLN A 83 11.418 11.794 -8.191 1.00 0.00 O ATOM 1320 CB GLN A 83 8.361 11.318 -7.830 1.00 0.00 C ATOM 1321 CG GLN A 83 7.058 11.262 -8.609 1.00 0.00 C ATOM 1322 CD GLN A 83 7.165 11.907 -9.977 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.493 11.498 -10.923 1.00 0.00 O ATOM 1324 NE2 GLN A 83 8.012 12.926 -10.089 1.00 0.00 N ATOM 0 H GLN A 83 8.250 8.853 -7.715 1.00 0.00 H new ATOM 0 HA GLN A 83 9.505 10.569 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.170 11.026 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.718 12.348 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.754 10.222 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.276 11.761 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.550 13.233 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.123 13.400 -10.985 1.00 0.00 H new ATOM 1333 N ARG A 84 11.259 9.996 -6.845 1.00 0.00 N ATOM 1334 CA ARG A 84 12.533 10.236 -6.180 1.00 0.00 C ATOM 1335 C ARG A 84 13.495 9.074 -6.407 1.00 0.00 C ATOM 1336 O ARG A 84 14.713 9.252 -6.390 1.00 0.00 O ATOM 1337 CB ARG A 84 12.310 10.445 -4.681 1.00 0.00 C ATOM 1338 CG ARG A 84 13.576 10.791 -3.916 1.00 0.00 C ATOM 1339 CD ARG A 84 14.080 12.179 -4.276 1.00 0.00 C ATOM 1340 NE ARG A 84 13.079 13.208 -4.007 1.00 0.00 N ATOM 1341 CZ ARG A 84 13.250 14.497 -4.284 1.00 0.00 C ATOM 1342 NH1 ARG A 84 14.380 14.918 -4.839 1.00 0.00 N ATOM 1343 NH2 ARG A 84 12.288 15.368 -4.007 1.00 0.00 N ATOM 0 H ARG A 84 10.761 9.170 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 84 12.977 11.136 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.581 11.243 -4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.877 9.539 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.381 10.740 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.348 10.054 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.985 12.395 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.352 12.204 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 84 12.197 12.921 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.121 14.252 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.507 15.908 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.418 15.048 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.419 16.357 -4.219 1.00 0.00 H new ATOM 1357 N ILE A 85 12.939 7.885 -6.619 1.00 0.00 N ATOM 1358 CA ILE A 85 13.748 6.691 -6.842 1.00 0.00 C ATOM 1359 C ILE A 85 13.432 6.054 -8.198 1.00 0.00 C ATOM 1360 O ILE A 85 12.475 5.289 -8.319 1.00 0.00 O ATOM 1361 CB ILE A 85 13.515 5.649 -5.729 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.592 6.317 -4.353 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.535 4.525 -5.837 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.143 5.422 -3.217 1.00 0.00 C ATOM 0 H ILE A 85 11.932 7.723 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 85 14.792 7.004 -6.829 1.00 0.00 H new ATOM 0 HB ILE A 85 12.519 5.223 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.618 6.635 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.976 7.217 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.359 3.797 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.438 4.037 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.540 4.935 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.225 5.962 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.106 5.125 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.774 4.534 -3.182 1.00 0.00 H new ATOM 1376 N PRO A 86 14.231 6.363 -9.240 1.00 0.00 N ATOM 1377 CA PRO A 86 14.019 5.814 -10.584 1.00 0.00 C ATOM 1378 C PRO A 86 14.462 4.360 -10.701 1.00 0.00 C ATOM 1379 O PRO A 86 14.212 3.702 -11.710 1.00 0.00 O ATOM 1380 CB PRO A 86 14.888 6.710 -11.465 1.00 0.00 C ATOM 1381 CG PRO A 86 15.994 7.151 -10.571 1.00 0.00 C ATOM 1382 CD PRO A 86 15.397 7.269 -9.194 1.00 0.00 C ATOM 0 HA PRO A 86 12.965 5.807 -10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.269 6.167 -12.330 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.323 7.560 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.813 6.432 -10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.404 8.105 -10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.107 6.970 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.099 8.294 -8.973 1.00 0.00 H new ATOM 1390 N GLU A 87 15.119 3.868 -9.660 1.00 0.00 N ATOM 1391 CA GLU A 87 15.602 2.491 -9.636 1.00 0.00 C ATOM 1392 C GLU A 87 14.856 1.682 -8.581 1.00 0.00 C ATOM 1393 O GLU A 87 15.296 0.602 -8.184 1.00 0.00 O ATOM 1394 CB GLU A 87 17.105 2.462 -9.348 1.00 0.00 C ATOM 1395 CG GLU A 87 17.933 3.226 -10.367 1.00 0.00 C ATOM 1396 CD GLU A 87 19.420 3.168 -10.069 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.085 2.230 -10.554 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.916 4.062 -9.352 1.00 0.00 O ATOM 0 H GLU A 87 15.331 4.402 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 87 15.419 2.045 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.285 2.881 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.442 1.426 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.749 2.817 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.610 4.267 -10.386 1.00 0.00 H new ATOM 1405 N PHE A 88 13.722 2.212 -8.141 1.00 0.00 N ATOM 1406 CA PHE A 88 12.905 1.558 -7.128 1.00 0.00 C ATOM 1407 C PHE A 88 12.352 0.228 -7.632 1.00 0.00 C ATOM 1408 O PHE A 88 12.077 0.069 -8.822 1.00 0.00 O ATOM 1409 CB PHE A 88 11.750 2.471 -6.721 1.00 0.00 C ATOM 1410 CG PHE A 88 11.033 2.023 -5.481 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.593 2.224 -4.229 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.796 1.406 -5.566 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.933 1.816 -3.085 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.131 0.996 -4.426 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.700 1.201 -3.185 1.00 0.00 C ATOM 0 H PHE A 88 13.345 3.100 -8.473 1.00 0.00 H new ATOM 0 HA PHE A 88 13.539 1.359 -6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.134 3.479 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.036 2.527 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.556 2.705 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.346 1.243 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.380 1.978 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.167 0.516 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.182 0.881 -2.293 1.00 0.00 H new ATOM 1425 N ASN A 89 12.192 -0.720 -6.715 1.00 0.00 N ATOM 1426 CA ASN A 89 11.659 -2.036 -7.048 1.00 0.00 C ATOM 1427 C ASN A 89 10.518 -2.394 -6.102 1.00 0.00 C ATOM 1428 O ASN A 89 10.745 -2.935 -5.020 1.00 0.00 O ATOM 1429 CB ASN A 89 12.760 -3.097 -6.968 1.00 0.00 C ATOM 1430 CG ASN A 89 13.902 -2.830 -7.931 1.00 0.00 C ATOM 1431 OD1 ASN A 89 15.055 -3.156 -7.647 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.588 -2.242 -9.080 1.00 0.00 N ATOM 0 H ASN A 89 12.425 -0.600 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 89 11.278 -2.007 -8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.149 -3.135 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.331 -4.076 -7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.315 -2.044 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.619 -1.988 -9.275 1.00 0.00 H new ATOM 1439 N MET A 90 9.292 -2.085 -6.513 1.00 0.00 N ATOM 1440 CA MET A 90 8.116 -2.360 -5.692 1.00 0.00 C ATOM 1441 C MET A 90 7.919 -3.859 -5.486 1.00 0.00 C ATOM 1442 O MET A 90 7.209 -4.279 -4.573 1.00 0.00 O ATOM 1443 CB MET A 90 6.866 -1.751 -6.334 1.00 0.00 C ATOM 1444 CG MET A 90 5.660 -1.717 -5.409 1.00 0.00 C ATOM 1445 SD MET A 90 5.969 -0.776 -3.901 1.00 0.00 S ATOM 1446 CE MET A 90 4.321 -0.699 -3.203 1.00 0.00 C ATOM 0 H MET A 90 9.086 -1.644 -7.409 1.00 0.00 H new ATOM 0 HA MET A 90 8.277 -1.903 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.093 -0.735 -6.659 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.612 -2.322 -7.227 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.813 -1.280 -5.938 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.380 -2.737 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.349 -0.146 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.653 -0.195 -3.901 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.957 -1.710 -3.018 1.00 0.00 H new ATOM 1456 N ALA A 91 8.550 -4.664 -6.335 1.00 0.00 N ATOM 1457 CA ALA A 91 8.436 -6.115 -6.232 1.00 0.00 C ATOM 1458 C ALA A 91 9.283 -6.651 -5.083 1.00 0.00 C ATOM 1459 O ALA A 91 8.769 -7.301 -4.171 1.00 0.00 O ATOM 1460 CB ALA A 91 8.846 -6.771 -7.543 1.00 0.00 C ATOM 0 H ALA A 91 9.143 -4.338 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 91 7.394 -6.360 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.756 -7.853 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.197 -6.419 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.879 -6.511 -7.773 1.00 0.00 H new ATOM 1466 N ALA A 92 10.581 -6.372 -5.133 1.00 0.00 N ATOM 1467 CA ALA A 92 11.503 -6.828 -4.100 1.00 0.00 C ATOM 1468 C ALA A 92 11.272 -6.093 -2.785 1.00 0.00 C ATOM 1469 O ALA A 92 11.575 -6.614 -1.712 1.00 0.00 O ATOM 1470 CB ALA A 92 12.940 -6.641 -4.559 1.00 0.00 C ATOM 0 H ALA A 92 11.019 -5.831 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 92 11.317 -7.888 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.619 -6.985 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.110 -7.218 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.123 -5.585 -4.760 1.00 0.00 H new ATOM 1476 N PHE A 93 10.733 -4.881 -2.873 1.00 0.00 N ATOM 1477 CA PHE A 93 10.471 -4.077 -1.686 1.00 0.00 C ATOM 1478 C PHE A 93 9.313 -4.649 -0.877 1.00 0.00 C ATOM 1479 O PHE A 93 9.449 -4.900 0.320 1.00 0.00 O ATOM 1480 CB PHE A 93 10.169 -2.628 -2.075 1.00 0.00 C ATOM 1481 CG PHE A 93 9.788 -1.763 -0.908 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.708 -1.477 0.088 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.507 -1.245 -0.802 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.359 -0.686 1.166 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.152 -0.455 0.274 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.079 -0.176 1.260 1.00 0.00 C ATOM 0 H PHE A 93 10.470 -4.436 -3.752 1.00 0.00 H new ATOM 0 HA PHE A 93 11.367 -4.100 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.045 -2.201 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.360 -2.617 -2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.709 -1.877 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.778 -1.461 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.086 -0.467 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.151 -0.056 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.803 0.440 2.103 1.00 0.00 H new ATOM 1496 N THR A 94 8.174 -4.852 -1.533 1.00 0.00 N ATOM 1497 CA THR A 94 6.996 -5.391 -0.863 1.00 0.00 C ATOM 1498 C THR A 94 7.284 -6.753 -0.241 1.00 0.00 C ATOM 1499 O THR A 94 6.952 -6.995 0.920 1.00 0.00 O ATOM 1500 CB THR A 94 5.804 -5.522 -1.829 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.200 -6.239 -3.004 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.269 -4.151 -2.218 1.00 0.00 C ATOM 0 H THR A 94 8.042 -4.652 -2.525 1.00 0.00 H new ATOM 0 HA THR A 94 6.738 -4.684 -0.075 1.00 0.00 H new ATOM 0 HB THR A 94 5.012 -6.072 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.643 -5.626 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.428 -4.269 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.939 -3.622 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.057 -3.579 -2.708 1.00 0.00 H new ATOM 1510 N THR A 95 7.906 -7.638 -1.016 1.00 0.00 N ATOM 1511 CA THR A 95 8.240 -8.976 -0.538 1.00 0.00 C ATOM 1512 C THR A 95 9.069 -8.914 0.742 1.00 0.00 C ATOM 1513 O THR A 95 8.757 -9.579 1.729 1.00 0.00 O ATOM 1514 CB THR A 95 9.017 -9.769 -1.603 1.00 0.00 C ATOM 1515 OG1 THR A 95 10.162 -9.023 -2.032 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.129 -10.079 -2.799 1.00 0.00 C ATOM 0 H THR A 95 8.189 -7.452 -1.978 1.00 0.00 H new ATOM 0 HA THR A 95 7.298 -9.484 -0.330 1.00 0.00 H new ATOM 0 HB THR A 95 9.344 -10.709 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.736 -9.594 -2.585 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.699 -10.640 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.274 -10.672 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.777 -9.147 -3.242 1.00 0.00 H new ATOM 1524 N THR A 96 10.129 -8.113 0.713 1.00 0.00 N ATOM 1525 CA THR A 96 11.004 -7.953 1.869 1.00 0.00 C ATOM 1526 C THR A 96 10.261 -7.287 3.024 1.00 0.00 C ATOM 1527 O THR A 96 10.535 -7.557 4.193 1.00 0.00 O ATOM 1528 CB THR A 96 12.245 -7.110 1.510 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.972 -7.739 0.449 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.156 -6.928 2.716 1.00 0.00 C ATOM 0 H THR A 96 10.403 -7.563 -0.101 1.00 0.00 H new ATOM 0 HA THR A 96 11.326 -8.948 2.175 1.00 0.00 H new ATOM 0 HB THR A 96 11.903 -6.127 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.606 -7.452 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.022 -6.330 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.610 -6.420 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.490 -7.903 3.070 1.00 0.00 H new ATOM 1538 N LEU A 97 9.315 -6.416 2.683 1.00 0.00 N ATOM 1539 CA LEU A 97 8.527 -5.705 3.683 1.00 0.00 C ATOM 1540 C LEU A 97 7.627 -6.669 4.455 1.00 0.00 C ATOM 1541 O LEU A 97 7.419 -6.507 5.658 1.00 0.00 O ATOM 1542 CB LEU A 97 7.680 -4.617 3.012 1.00 0.00 C ATOM 1543 CG LEU A 97 7.524 -3.316 3.808 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.734 -2.295 3.004 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.844 -3.575 5.145 1.00 0.00 C ATOM 0 H LEU A 97 9.076 -6.186 1.719 1.00 0.00 H new ATOM 0 HA LEU A 97 9.213 -5.238 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.124 -4.380 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.688 -5.023 2.816 1.00 0.00 H new ATOM 0 HG LEU A 97 8.519 -2.916 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.632 -1.377 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.258 -2.081 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.745 -2.695 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.745 -2.637 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.856 -4.001 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.444 -4.273 5.729 1.00 0.00 H new ATOM 1557 N GLN A 98 7.095 -7.669 3.755 1.00 0.00 N ATOM 1558 CA GLN A 98 6.206 -8.654 4.371 1.00 0.00 C ATOM 1559 C GLN A 98 6.826 -9.257 5.628 1.00 0.00 C ATOM 1560 O GLN A 98 6.166 -9.366 6.661 1.00 0.00 O ATOM 1561 CB GLN A 98 5.870 -9.766 3.374 1.00 0.00 C ATOM 1562 CG GLN A 98 5.063 -9.290 2.177 1.00 0.00 C ATOM 1563 CD GLN A 98 4.767 -10.402 1.188 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.649 -11.569 1.563 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.651 -10.043 -0.085 1.00 0.00 N ATOM 0 H GLN A 98 7.264 -7.819 2.760 1.00 0.00 H new ATOM 0 HA GLN A 98 5.290 -8.137 4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.797 -10.217 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.312 -10.548 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.124 -8.860 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.609 -8.494 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.756 -9.064 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.456 -10.746 -0.798 1.00 0.00 H new ATOM 1574 N HIS A 99 8.091 -9.647 5.537 1.00 0.00 N ATOM 1575 CA HIS A 99 8.787 -10.229 6.678 1.00 0.00 C ATOM 1576 C HIS A 99 9.195 -9.141 7.663 1.00 0.00 C ATOM 1577 O HIS A 99 9.064 -9.301 8.880 1.00 0.00 O ATOM 1578 CB HIS A 99 10.022 -11.002 6.213 1.00 0.00 C ATOM 1579 CG HIS A 99 9.705 -12.158 5.317 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.673 -13.464 5.756 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.407 -12.199 3.996 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.371 -14.259 4.746 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.204 -13.517 3.668 1.00 0.00 N ATOM 0 H HIS A 99 8.654 -9.572 4.690 1.00 0.00 H new ATOM 0 HA HIS A 99 8.108 -10.920 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.691 -10.320 5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.561 -11.368 7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.341 -11.354 3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.277 -15.334 4.794 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.963 -13.866 2.740 1.00 0.00 H new ATOM 1592 N HIS A 100 9.667 -8.021 7.127 1.00 0.00 N ATOM 1593 CA HIS A 100 10.099 -6.906 7.958 1.00 0.00 C ATOM 1594 C HIS A 100 8.906 -6.219 8.606 1.00 0.00 C ATOM 1595 O HIS A 100 9.061 -5.244 9.341 1.00 0.00 O ATOM 1596 CB HIS A 100 10.912 -5.904 7.136 1.00 0.00 C ATOM 1597 CG HIS A 100 12.354 -6.285 7.001 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.335 -5.827 7.855 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.981 -7.090 6.109 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.501 -6.334 7.495 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.312 -7.103 6.440 1.00 0.00 N ATOM 0 H HIS A 100 9.760 -7.862 6.124 1.00 0.00 H new ATOM 0 HA HIS A 100 10.736 -7.301 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.471 -5.816 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.845 -4.921 7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.519 -7.622 5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.447 -6.150 7.982 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.039 -7.624 5.949 1.00 0.00 H new ATOM 1610 N LYS A 101 7.713 -6.735 8.327 1.00 0.00 N ATOM 1611 CA LYS A 101 6.496 -6.185 8.903 1.00 0.00 C ATOM 1612 C LYS A 101 6.528 -6.333 10.418 1.00 0.00 C ATOM 1613 O LYS A 101 5.830 -5.620 11.140 1.00 0.00 O ATOM 1614 CB LYS A 101 5.265 -6.894 8.330 1.00 0.00 C ATOM 1615 CG LYS A 101 3.946 -6.325 8.827 1.00 0.00 C ATOM 1616 CD LYS A 101 2.757 -7.102 8.279 1.00 0.00 C ATOM 1617 CE LYS A 101 2.687 -8.505 8.860 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.600 -8.487 10.346 1.00 0.00 N ATOM 0 H LYS A 101 7.566 -7.531 7.707 1.00 0.00 H new ATOM 0 HA LYS A 101 6.435 -5.127 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.292 -6.828 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.314 -7.952 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.926 -6.350 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.866 -5.279 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.836 -6.567 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.830 -7.161 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.820 -9.024 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.569 -9.069 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.253 -9.407 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.542 -8.303 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.944 -7.738 10.646 1.00 0.00 H new ATOM 1632 N ASP A 102 7.350 -7.268 10.893 1.00 0.00 N ATOM 1633 CA ASP A 102 7.484 -7.509 12.324 1.00 0.00 C ATOM 1634 C ASP A 102 8.303 -6.402 12.982 1.00 0.00 C ATOM 1635 O ASP A 102 8.167 -6.142 14.178 1.00 0.00 O ATOM 1636 CB ASP A 102 8.143 -8.867 12.576 1.00 0.00 C ATOM 1637 CG ASP A 102 8.182 -9.226 14.049 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.210 -9.841 14.535 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.184 -8.892 14.715 1.00 0.00 O ATOM 0 H ASP A 102 7.931 -7.868 10.307 1.00 0.00 H new ATOM 0 HA ASP A 102 6.487 -7.513 12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.599 -9.639 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.159 -8.854 12.181 1.00 0.00 H new ATOM 1644 N GLU A 103 9.152 -5.752 12.188 1.00 0.00 N ATOM 1645 CA GLU A 103 9.995 -4.669 12.686 1.00 0.00 C ATOM 1646 C GLU A 103 9.347 -3.311 12.430 1.00 0.00 C ATOM 1647 O GLU A 103 9.040 -2.574 13.367 1.00 0.00 O ATOM 1648 CB GLU A 103 11.376 -4.719 12.025 1.00 0.00 C ATOM 1649 CG GLU A 103 12.255 -5.858 12.520 1.00 0.00 C ATOM 1650 CD GLU A 103 11.655 -7.223 12.245 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.808 -7.722 11.110 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.033 -7.794 13.165 1.00 0.00 O ATOM 0 H GLU A 103 9.274 -5.957 11.196 1.00 0.00 H new ATOM 0 HA GLU A 103 10.110 -4.801 13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.249 -4.814 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.888 -3.774 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.232 -5.792 12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.417 -5.746 13.592 1.00 0.00 H new ATOM 1659 N VAL A 104 9.146 -2.986 11.155 1.00 0.00 N ATOM 1660 CA VAL A 104 8.535 -1.718 10.772 1.00 0.00 C ATOM 1661 C VAL A 104 7.156 -1.570 11.407 1.00 0.00 C ATOM 1662 O VAL A 104 6.558 -2.555 11.843 1.00 0.00 O ATOM 1663 CB VAL A 104 8.405 -1.597 9.238 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.314 -2.518 8.708 1.00 0.00 C ATOM 1665 CG2 VAL A 104 8.137 -0.154 8.832 1.00 0.00 C ATOM 0 H VAL A 104 9.398 -3.585 10.369 1.00 0.00 H new ATOM 0 HA VAL A 104 9.188 -0.923 11.132 1.00 0.00 H new ATOM 0 HB VAL A 104 9.351 -1.907 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.243 -2.413 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.557 -3.551 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.360 -2.250 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.049 -0.092 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.209 0.187 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.961 0.477 9.166 1.00 0.00 H new ATOM 1675 N ALA A 105 6.658 -0.338 11.465 1.00 0.00 N ATOM 1676 CA ALA A 105 5.349 -0.073 12.047 1.00 0.00 C ATOM 1677 C ALA A 105 4.287 -0.961 11.409 1.00 0.00 C ATOM 1678 O ALA A 105 3.895 -0.752 10.261 1.00 0.00 O ATOM 1679 CB ALA A 105 4.984 1.395 11.883 1.00 0.00 C ATOM 0 H ALA A 105 7.141 0.490 11.116 1.00 0.00 H new ATOM 0 HA ALA A 105 5.393 -0.303 13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.003 1.577 12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.728 2.013 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.959 1.647 10.823 1.00 0.00 H new ATOM 1685 N GLY A 106 3.826 -1.954 12.163 1.00 0.00 N ATOM 1686 CA GLY A 106 2.817 -2.866 11.656 1.00 0.00 C ATOM 1687 C GLY A 106 1.475 -2.195 11.451 1.00 0.00 C ATOM 1688 O GLY A 106 0.714 -2.577 10.563 1.00 0.00 O ATOM 0 H GLY A 106 4.134 -2.143 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.156 -3.288 10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.701 -3.697 12.352 1.00 0.00 H new ATOM 1692 N ASP A 107 1.186 -1.194 12.273 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.077 -0.471 12.182 1.00 0.00 C ATOM 1694 C ASP A 107 -0.158 0.340 10.892 1.00 0.00 C ATOM 1695 O ASP A 107 -1.225 0.455 10.290 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.250 0.454 13.388 1.00 0.00 C ATOM 1697 CG ASP A 107 0.819 1.527 13.450 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.915 1.244 13.979 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.560 2.651 12.972 1.00 0.00 O ATOM 0 H ASP A 107 1.809 -0.864 13.010 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.881 -1.207 12.176 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.232 0.925 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.221 -0.137 14.303 1.00 0.00 H new ATOM 1704 N ILE A 108 0.973 0.898 10.469 1.00 0.00 N ATOM 1705 CA ILE A 108 1.010 1.701 9.252 1.00 0.00 C ATOM 1706 C ILE A 108 0.930 0.823 8.009 1.00 0.00 C ATOM 1707 O ILE A 108 0.117 1.070 7.116 1.00 0.00 O ATOM 1708 CB ILE A 108 2.287 2.565 9.181 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.370 3.483 10.403 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.304 3.380 7.894 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.641 4.306 10.466 1.00 0.00 C ATOM 0 H ILE A 108 1.870 0.810 10.947 1.00 0.00 H new ATOM 0 HA ILE A 108 0.141 2.358 9.284 1.00 0.00 H new ATOM 0 HB ILE A 108 3.157 1.908 9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.513 4.156 10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.295 2.877 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.210 3.984 7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.282 2.707 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.431 4.033 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.626 4.931 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.504 3.641 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.709 4.939 9.581 1.00 0.00 H new ATOM 1723 N PHE A 109 1.764 -0.212 7.956 1.00 0.00 N ATOM 1724 CA PHE A 109 1.771 -1.115 6.813 1.00 0.00 C ATOM 1725 C PHE A 109 0.460 -1.886 6.717 1.00 0.00 C ATOM 1726 O PHE A 109 0.044 -2.272 5.626 1.00 0.00 O ATOM 1727 CB PHE A 109 2.946 -2.091 6.878 1.00 0.00 C ATOM 1728 CG PHE A 109 3.035 -2.982 5.668 1.00 0.00 C ATOM 1729 CD1 PHE A 109 3.062 -2.436 4.393 1.00 0.00 C ATOM 1730 CD2 PHE A 109 3.078 -4.360 5.803 1.00 0.00 C ATOM 1731 CE1 PHE A 109 3.133 -3.248 3.276 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.147 -5.176 4.690 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.174 -4.621 3.425 1.00 0.00 C ATOM 0 H PHE A 109 2.438 -0.444 8.686 1.00 0.00 H new ATOM 0 HA PHE A 109 1.884 -0.502 5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.874 -1.528 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.850 -2.708 7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.027 -1.363 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.057 -4.801 6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.156 -2.810 2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.180 -6.249 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.227 -5.259 2.555 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.183 -2.110 7.861 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.445 -2.846 7.899 1.00 0.00 C ATOM 1745 C ASP A 110 -2.417 -2.311 6.851 1.00 0.00 C ATOM 1746 O ASP A 110 -3.252 -3.050 6.331 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.075 -2.749 9.289 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.383 -3.509 9.387 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.345 -4.722 9.682 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.447 -2.891 9.169 1.00 0.00 O ATOM 0 H ASP A 110 0.148 -1.793 8.772 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.234 -3.892 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.376 -3.138 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.248 -1.701 9.534 1.00 0.00 H new ATOM 1755 N MET A 111 -2.300 -1.022 6.547 1.00 0.00 N ATOM 1756 CA MET A 111 -3.155 -0.398 5.547 1.00 0.00 C ATOM 1757 C MET A 111 -2.748 -0.865 4.152 1.00 0.00 C ATOM 1758 O MET A 111 -3.582 -1.308 3.361 1.00 0.00 O ATOM 1759 CB MET A 111 -3.063 1.127 5.656 1.00 0.00 C ATOM 1760 CG MET A 111 -3.851 1.873 4.590 1.00 0.00 C ATOM 1761 SD MET A 111 -2.896 2.151 3.085 1.00 0.00 S ATOM 1762 CE MET A 111 -1.584 3.203 3.704 1.00 0.00 C ATOM 0 H MET A 111 -1.623 -0.392 6.978 1.00 0.00 H new ATOM 0 HA MET A 111 -4.189 -0.694 5.724 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.422 1.433 6.639 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.016 1.423 5.593 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.750 1.307 4.346 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.178 2.833 4.991 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.059 3.661 2.866 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.010 3.983 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.884 2.606 4.288 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.452 -0.773 3.869 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.909 -1.191 2.582 1.00 0.00 C ATOM 1774 C LEU A 112 -1.050 -2.699 2.402 1.00 0.00 C ATOM 1775 O LEU A 112 -1.055 -3.202 1.281 1.00 0.00 O ATOM 1776 CB LEU A 112 0.563 -0.787 2.467 1.00 0.00 C ATOM 1777 CG LEU A 112 0.828 0.721 2.441 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.323 1.000 2.478 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.203 1.354 1.206 1.00 0.00 C ATOM 0 H LEU A 112 -0.755 -0.410 4.519 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.475 -0.692 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.108 -1.221 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.973 -1.227 1.558 1.00 0.00 H new ATOM 0 HG LEU A 112 0.370 1.164 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.493 2.077 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.749 0.582 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.800 0.542 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.402 2.426 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.632 0.905 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.874 1.185 1.216 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.164 -3.410 3.519 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.295 -4.863 3.507 1.00 0.00 C ATOM 1793 C LEU A 113 -2.393 -5.305 2.545 1.00 0.00 C ATOM 1794 O LEU A 113 -2.354 -6.414 2.011 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.583 -5.382 4.919 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.601 -6.906 5.070 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.314 -7.521 4.536 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.806 -7.291 6.527 1.00 0.00 C ATOM 0 H LEU A 113 -1.168 -2.999 4.452 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.352 -5.286 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.832 -4.976 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.548 -4.991 5.241 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.433 -7.296 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.352 -8.604 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.204 -7.275 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.536 -7.125 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.817 -8.377 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.993 -6.884 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.755 -6.888 6.880 1.00 0.00 H new ATOM 1810 N THR A 114 -3.374 -4.431 2.332 1.00 0.00 N ATOM 1811 CA THR A 114 -4.482 -4.723 1.429 1.00 0.00 C ATOM 1812 C THR A 114 -4.000 -4.964 -0.005 1.00 0.00 C ATOM 1813 O THR A 114 -4.808 -5.189 -0.907 1.00 0.00 O ATOM 1814 CB THR A 114 -5.509 -3.576 1.421 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.865 -2.342 1.082 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.184 -3.445 2.777 1.00 0.00 C ATOM 0 H THR A 114 -3.423 -3.513 2.774 1.00 0.00 H new ATOM 0 HA THR A 114 -4.952 -5.633 1.801 1.00 0.00 H new ATOM 0 HB THR A 114 -6.269 -3.805 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.418 -1.978 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.905 -2.628 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.699 -4.375 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.433 -3.238 3.539 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.684 -4.920 -0.213 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.110 -5.140 -1.538 1.00 0.00 C ATOM 1826 C PHE A 115 -2.376 -6.565 -2.017 1.00 0.00 C ATOM 1827 O PHE A 115 -2.504 -6.812 -3.216 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.598 -4.877 -1.526 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.215 -3.422 -1.630 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.901 -2.564 -2.480 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.840 -2.916 -0.884 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.544 -1.233 -2.578 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.200 -1.585 -0.982 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.508 -0.743 -1.829 1.00 0.00 C ATOM 0 H PHE A 115 -1.998 -4.734 0.518 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.588 -4.441 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.178 -5.285 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.141 -5.420 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.722 -2.942 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.386 -3.569 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.088 -0.576 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.023 -1.204 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.789 0.297 -1.906 1.00 0.00 H new ATOM 1844 N THR A 116 -2.455 -7.500 -1.073 1.00 0.00 N ATOM 1845 CA THR A 116 -2.700 -8.898 -1.407 1.00 0.00 C ATOM 1846 C THR A 116 -3.702 -9.535 -0.450 1.00 0.00 C ATOM 1847 O THR A 116 -4.407 -10.475 -0.813 1.00 0.00 O ATOM 1848 CB THR A 116 -1.395 -9.719 -1.383 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.802 -9.659 -0.081 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.408 -9.200 -2.419 1.00 0.00 C ATOM 0 H THR A 116 -2.353 -7.315 -0.075 1.00 0.00 H new ATOM 0 HA THR A 116 -3.113 -8.908 -2.416 1.00 0.00 H new ATOM 0 HB THR A 116 -1.639 -10.754 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.025 -10.184 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.504 -9.795 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.850 -9.275 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.170 -8.158 -2.205 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.761 -9.020 0.775 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.678 -9.549 1.780 1.00 0.00 C ATOM 1860 C ASP A 117 -6.126 -9.244 1.405 1.00 0.00 C ATOM 1861 O ASP A 117 -6.677 -8.212 1.795 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.354 -8.964 3.158 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.903 -9.810 4.290 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -6.120 -9.734 4.553 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -4.113 -10.550 4.912 1.00 0.00 O ATOM 0 H ASP A 117 -3.187 -8.240 1.095 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.553 -10.631 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.273 -8.875 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.766 -7.957 3.228 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.733 -10.148 0.641 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.115 -9.985 0.201 1.00 0.00 C ATOM 1872 C PHE A 118 -9.066 -9.905 1.392 1.00 0.00 C ATOM 1873 O PHE A 118 -10.063 -9.184 1.355 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.518 -11.145 -0.711 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.865 -10.968 -1.352 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -9.995 -10.265 -2.539 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.001 -11.506 -0.769 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.231 -10.101 -3.132 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.242 -11.344 -1.357 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.358 -10.640 -2.540 1.00 0.00 C ATOM 0 H PHE A 118 -6.287 -11.005 0.313 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.184 -9.050 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.766 -11.260 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.520 -12.068 -0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.119 -9.840 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.916 -12.058 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.317 -9.552 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.120 -11.767 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.326 -10.511 -3.001 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.750 -10.650 2.446 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.576 -10.667 3.648 1.00 0.00 C ATOM 1892 C LEU A 119 -9.639 -9.283 4.285 1.00 0.00 C ATOM 1893 O LEU A 119 -10.660 -8.897 4.855 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.026 -11.683 4.651 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.023 -13.134 4.166 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.239 -14.017 5.125 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.447 -13.645 4.010 1.00 0.00 C ATOM 0 H LEU A 119 -7.927 -11.251 2.492 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.587 -10.959 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.006 -11.400 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.615 -11.623 5.566 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.535 -13.171 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.248 -15.045 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.210 -13.663 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.696 -13.976 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.427 -14.679 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.959 -13.594 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.977 -13.030 3.283 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.541 -8.541 4.184 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.468 -7.199 4.749 1.00 0.00 C ATOM 1911 C ALA A 120 -9.217 -6.195 3.881 1.00 0.00 C ATOM 1912 O ALA A 120 -9.790 -5.230 4.385 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.018 -6.774 4.917 1.00 0.00 C ATOM 0 H ALA A 120 -7.688 -8.847 3.715 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.945 -7.220 5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.980 -5.770 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.510 -7.469 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.523 -6.778 3.946 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.202 -6.431 2.573 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.876 -5.549 1.624 1.00 0.00 C ATOM 1921 C PHE A 121 -11.376 -5.485 1.905 1.00 0.00 C ATOM 1922 O PHE A 121 -11.941 -4.404 2.095 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.629 -6.040 0.193 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.823 -4.987 -0.861 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.197 -3.755 -0.755 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.625 -5.233 -1.966 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.367 -2.789 -1.728 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.799 -4.271 -2.941 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.168 -3.047 -2.822 1.00 0.00 C ATOM 0 H PHE A 121 -8.730 -7.227 2.144 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.467 -4.545 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.612 -6.425 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.300 -6.874 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.569 -3.548 0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.119 -6.188 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.874 -1.833 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.427 -4.475 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.302 -2.293 -3.584 1.00 0.00 H new ATOM 1939 N LYS A 122 -12.015 -6.650 1.942 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.447 -6.731 2.196 1.00 0.00 C ATOM 1941 C LYS A 122 -13.775 -6.257 3.609 1.00 0.00 C ATOM 1942 O LYS A 122 -14.732 -5.510 3.815 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.941 -8.165 1.996 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.442 -8.322 2.174 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.884 -9.752 1.920 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.391 -9.901 2.046 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.834 -11.298 1.792 1.00 0.00 N ATOM 0 H LYS A 122 -11.561 -7.552 1.799 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.956 -6.078 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.665 -8.499 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.429 -8.818 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.723 -8.027 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.963 -7.652 1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.569 -10.059 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.391 -10.417 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.703 -9.597 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.882 -9.231 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.868 -11.357 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.559 -11.580 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.386 -11.935 2.481 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.976 -6.695 4.577 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.181 -6.311 5.969 1.00 0.00 C ATOM 1963 C GLU A 123 -13.077 -4.799 6.129 1.00 0.00 C ATOM 1964 O GLU A 123 -13.762 -4.203 6.961 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.158 -7.005 6.870 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.352 -6.716 8.349 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.706 -7.172 8.859 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.663 -6.371 8.805 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.809 -8.331 9.313 1.00 0.00 O ATOM 0 H GLU A 123 -12.181 -7.316 4.423 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.182 -6.625 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.216 -8.081 6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.156 -6.692 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.567 -7.213 8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.244 -5.646 8.524 1.00 0.00 H new ATOM 1976 N MET A 124 -12.213 -4.188 5.326 1.00 0.00 N ATOM 1977 CA MET A 124 -12.014 -2.745 5.370 1.00 0.00 C ATOM 1978 C MET A 124 -13.294 -2.011 4.982 1.00 0.00 C ATOM 1979 O MET A 124 -13.710 -1.071 5.659 1.00 0.00 O ATOM 1980 CB MET A 124 -10.873 -2.336 4.436 1.00 0.00 C ATOM 1981 CG MET A 124 -10.597 -0.841 4.425 1.00 0.00 C ATOM 1982 SD MET A 124 -9.328 -0.374 3.231 1.00 0.00 S ATOM 1983 CE MET A 124 -10.101 -0.880 1.696 1.00 0.00 C ATOM 0 H MET A 124 -11.638 -4.671 4.636 1.00 0.00 H new ATOM 0 HA MET A 124 -11.752 -2.469 6.391 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.966 -2.862 4.734 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.111 -2.660 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.519 -0.307 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.286 -0.526 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.620 -1.786 1.328 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.159 -1.075 1.869 1.00 0.00 H new ATOM 0 HE3 MET A 124 -9.994 -0.087 0.956 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.914 -2.449 3.888 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.148 -1.828 3.409 1.00 0.00 C ATOM 1995 C PHE A 125 -16.250 -1.873 4.466 1.00 0.00 C ATOM 1996 O PHE A 125 -16.872 -0.853 4.765 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.628 -2.511 2.127 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.711 -2.300 0.957 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.370 -1.020 0.549 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -14.191 -3.382 0.266 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.527 -0.824 -0.526 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -13.347 -3.191 -0.810 1.00 0.00 C ATOM 2003 CZ PHE A 125 -13.014 -1.911 -1.208 1.00 0.00 C ATOM 0 H PHE A 125 -13.584 -3.228 3.318 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.926 -0.782 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.730 -3.581 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.619 -2.135 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.768 -0.167 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.448 -4.385 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.268 0.178 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.947 -4.043 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 125 -12.355 -1.760 -2.050 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.494 -3.056 5.025 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.529 -3.221 6.043 1.00 0.00 C ATOM 2015 C LEU A 126 -17.281 -2.303 7.236 1.00 0.00 C ATOM 2016 O LEU A 126 -18.223 -1.791 7.842 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.597 -4.677 6.510 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.492 -5.590 5.668 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.951 -5.724 4.253 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.620 -6.957 6.322 1.00 0.00 C ATOM 0 H LEU A 126 -15.991 -3.912 4.791 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.483 -2.948 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.587 -5.088 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.953 -4.695 7.540 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.482 -5.138 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.604 -6.377 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.913 -4.741 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.948 -6.150 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.259 -7.594 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.633 -7.412 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -19.059 -6.846 7.313 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.012 -2.100 7.567 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.644 -1.240 8.687 1.00 0.00 C ATOM 2034 C ASP A 127 -15.937 0.223 8.369 1.00 0.00 C ATOM 2035 O ASP A 127 -16.488 0.949 9.197 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.163 -1.413 9.025 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.743 -0.580 10.220 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.991 -1.015 11.363 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.165 0.507 10.011 1.00 0.00 O ATOM 0 H ASP A 127 -15.221 -2.518 7.077 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.243 -1.533 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.960 -2.464 9.229 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.561 -1.134 8.161 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.564 0.645 7.164 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.784 2.021 6.733 1.00 0.00 C ATOM 2046 C TYR A 128 -17.267 2.375 6.778 1.00 0.00 C ATOM 2047 O TYR A 128 -17.638 3.488 7.149 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.241 2.228 5.317 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.434 3.634 4.790 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.567 4.657 5.152 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.484 3.937 3.931 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.741 5.942 4.673 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.664 5.220 3.448 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.789 6.219 3.822 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.964 7.497 3.345 1.00 0.00 O ATOM 0 H TYR A 128 -15.108 0.053 6.469 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.251 2.679 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.178 1.989 5.307 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.732 1.526 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.744 4.445 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.171 3.157 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.058 6.726 4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.485 5.439 2.782 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.747 7.522 2.757 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.109 1.419 6.399 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.552 1.627 6.395 1.00 0.00 C ATOM 2067 C ARG A 129 -20.091 1.708 7.819 1.00 0.00 C ATOM 2068 O ARG A 129 -21.003 2.483 8.104 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.248 0.499 5.629 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.756 0.666 5.529 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.388 -0.456 4.720 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.836 -0.302 4.604 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.606 -1.093 3.863 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.068 -2.089 3.170 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.915 -0.890 3.812 1.00 0.00 N ATOM 0 H ARG A 129 -17.816 0.492 6.090 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.760 2.573 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.830 0.443 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.028 -0.450 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.188 0.683 6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.987 1.625 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.945 -0.478 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.162 -1.413 5.190 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.282 0.456 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.061 -2.249 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.661 -2.694 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.334 -0.126 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.504 -1.498 3.243 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.520 0.901 8.710 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.943 0.884 10.104 1.00 0.00 C ATOM 2091 C ALA A 130 -19.717 2.241 10.761 1.00 0.00 C ATOM 2092 O ALA A 130 -20.472 2.648 11.645 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.203 -0.202 10.869 1.00 0.00 C ATOM 0 H ALA A 130 -18.765 0.252 8.490 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.011 0.667 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.530 -0.202 11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.417 -1.173 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.131 -0.011 10.826 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.671 2.936 10.325 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.347 4.252 10.866 1.00 0.00 C ATOM 2101 C GLU A 131 -19.345 5.295 10.376 1.00 0.00 C ATOM 2102 O GLU A 131 -19.609 6.286 11.059 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.930 4.661 10.459 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.856 3.700 10.938 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.470 4.092 10.464 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.104 3.722 9.328 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.750 4.768 11.229 1.00 0.00 O ATOM 0 H GLU A 131 -18.033 2.610 9.599 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.403 4.196 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.881 4.735 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.720 5.654 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.866 3.663 12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.087 2.696 10.582 1.00 0.00 H new