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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -85:sc= 0.0874 USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -165:sc= -0.0277 (180deg=-0.338) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 43 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.3!) USER MOD Single : A 45 MET CE :methyl 143:sc= -0.321 (180deg=-1.13) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.0386 (180deg=-0.263) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.214 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.068 (180deg=-0.469) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.61) USER MOD Single : A 71 SER OG : rot 78:sc= 0.372 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0949 (180deg=-0.427) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.31) USER MOD Single : A 83 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.089) USER MOD Single : A 89 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.95) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -22:sc= 0.325 USER MOD Single : A 95 THR OG1 : rot 75:sc= 0.419 USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.401 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-0.16) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 139:sc= -0.388 (180deg=-1.34!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.234) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.285 (180deg=-0.789) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.101 1.761 4.959 1.00 0.00 N ATOM 243 CA ALA A 19 19.585 3.122 5.077 1.00 0.00 C ATOM 244 C ALA A 19 18.599 3.454 3.962 1.00 0.00 C ATOM 245 O ALA A 19 17.719 4.298 4.135 1.00 0.00 O ATOM 246 CB ALA A 19 20.732 4.119 5.080 1.00 0.00 C ATOM 0 HA ALA A 19 19.046 3.190 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.335 5.130 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.391 3.913 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.294 4.030 4.150 1.00 0.00 H new ATOM 252 N GLU A 20 18.747 2.790 2.821 1.00 0.00 N ATOM 253 CA GLU A 20 17.867 3.029 1.682 1.00 0.00 C ATOM 254 C GLU A 20 16.427 2.646 2.012 1.00 0.00 C ATOM 255 O GLU A 20 15.502 3.424 1.778 1.00 0.00 O ATOM 256 CB GLU A 20 18.352 2.251 0.457 1.00 0.00 C ATOM 257 CG GLU A 20 17.563 2.553 -0.807 1.00 0.00 C ATOM 258 CD GLU A 20 17.578 4.025 -1.169 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.504 4.450 -1.892 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.662 4.753 -0.733 1.00 0.00 O ATOM 0 H GLU A 20 19.465 2.084 2.660 1.00 0.00 H new ATOM 0 HA GLU A 20 17.894 4.095 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.403 2.482 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.291 1.183 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.975 1.975 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.532 2.227 -0.673 1.00 0.00 H new ATOM 267 N PHE A 21 16.242 1.444 2.552 1.00 0.00 N ATOM 268 CA PHE A 21 14.911 0.968 2.917 1.00 0.00 C ATOM 269 C PHE A 21 14.209 1.971 3.827 1.00 0.00 C ATOM 270 O PHE A 21 13.078 2.380 3.561 1.00 0.00 O ATOM 271 CB PHE A 21 15.000 -0.391 3.614 1.00 0.00 C ATOM 272 CG PHE A 21 13.686 -1.119 3.681 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.754 -0.807 4.657 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.384 -2.114 2.765 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.545 -1.475 4.719 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.177 -2.785 2.821 1.00 0.00 C ATOM 277 CZ PHE A 21 11.255 -2.464 3.799 1.00 0.00 C ATOM 0 H PHE A 21 16.995 0.784 2.746 1.00 0.00 H new ATOM 0 HA PHE A 21 14.329 0.859 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.724 -1.013 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.378 -0.247 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.974 -0.033 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.101 -2.368 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.828 -1.224 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.955 -3.559 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.310 -2.985 3.844 1.00 0.00 H new ATOM 287 N ASP A 22 14.888 2.362 4.904 1.00 0.00 N ATOM 288 CA ASP A 22 14.332 3.320 5.854 1.00 0.00 C ATOM 289 C ASP A 22 13.935 4.613 5.152 1.00 0.00 C ATOM 290 O ASP A 22 12.928 5.232 5.493 1.00 0.00 O ATOM 291 CB ASP A 22 15.342 3.619 6.964 1.00 0.00 C ATOM 292 CG ASP A 22 15.665 2.396 7.799 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.911 2.113 8.754 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.671 1.721 7.499 1.00 0.00 O ATOM 0 H ASP A 22 15.823 2.030 5.139 1.00 0.00 H new ATOM 0 HA ASP A 22 13.439 2.877 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.260 4.006 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.946 4.402 7.610 1.00 0.00 H new ATOM 299 N ALA A 23 14.736 5.015 4.168 1.00 0.00 N ATOM 300 CA ALA A 23 14.464 6.231 3.413 1.00 0.00 C ATOM 301 C ALA A 23 13.111 6.145 2.719 1.00 0.00 C ATOM 302 O ALA A 23 12.333 7.101 2.728 1.00 0.00 O ATOM 303 CB ALA A 23 15.569 6.483 2.399 1.00 0.00 C ATOM 0 H ALA A 23 15.577 4.516 3.877 1.00 0.00 H new ATOM 0 HA ALA A 23 14.435 7.068 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.351 7.395 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.521 6.593 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.628 5.642 1.708 1.00 0.00 H new ATOM 309 N VAL A 24 12.834 4.992 2.116 1.00 0.00 N ATOM 310 CA VAL A 24 11.571 4.776 1.422 1.00 0.00 C ATOM 311 C VAL A 24 10.401 4.891 2.393 1.00 0.00 C ATOM 312 O VAL A 24 9.364 5.466 2.063 1.00 0.00 O ATOM 313 CB VAL A 24 11.527 3.396 0.738 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.248 3.239 -0.072 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.751 3.197 -0.143 1.00 0.00 C ATOM 0 H VAL A 24 13.468 4.194 2.095 1.00 0.00 H new ATOM 0 HA VAL A 24 11.490 5.546 0.655 1.00 0.00 H new ATOM 0 HB VAL A 24 11.535 2.629 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.236 2.258 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.386 3.333 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.205 4.013 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.702 2.217 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.777 3.971 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.652 3.260 0.467 1.00 0.00 H new ATOM 325 N VAL A 25 10.578 4.341 3.592 1.00 0.00 N ATOM 326 CA VAL A 25 9.541 4.390 4.616 1.00 0.00 C ATOM 327 C VAL A 25 9.142 5.831 4.905 1.00 0.00 C ATOM 328 O VAL A 25 7.963 6.138 5.078 1.00 0.00 O ATOM 329 CB VAL A 25 10.010 3.722 5.924 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.911 3.763 6.975 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.452 2.291 5.661 1.00 0.00 C ATOM 0 H VAL A 25 11.429 3.857 3.877 1.00 0.00 H new ATOM 0 HA VAL A 25 8.680 3.842 4.232 1.00 0.00 H new ATOM 0 HB VAL A 25 10.864 4.280 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.264 3.286 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.647 4.799 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.034 3.233 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.780 1.834 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.617 1.722 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.276 2.290 4.948 1.00 0.00 H new ATOM 341 N GLY A 26 10.137 6.712 4.959 1.00 0.00 N ATOM 342 CA GLY A 26 9.871 8.115 5.214 1.00 0.00 C ATOM 343 C GLY A 26 9.046 8.743 4.111 1.00 0.00 C ATOM 344 O GLY A 26 8.111 9.502 4.377 1.00 0.00 O ATOM 0 H GLY A 26 11.122 6.479 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.346 8.218 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.815 8.651 5.312 1.00 0.00 H new ATOM 348 N TYR A 27 9.387 8.422 2.864 1.00 0.00 N ATOM 349 CA TYR A 27 8.667 8.955 1.714 1.00 0.00 C ATOM 350 C TYR A 27 7.223 8.467 1.721 1.00 0.00 C ATOM 351 O TYR A 27 6.318 9.170 1.274 1.00 0.00 O ATOM 352 CB TYR A 27 9.355 8.546 0.407 1.00 0.00 C ATOM 353 CG TYR A 27 10.805 8.975 0.312 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.207 10.243 0.718 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.773 8.109 -0.185 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.530 10.634 0.632 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.098 8.494 -0.274 1.00 0.00 C ATOM 358 CZ TYR A 27 13.470 9.757 0.136 1.00 0.00 C ATOM 359 OH TYR A 27 14.788 10.144 0.049 1.00 0.00 O ATOM 0 H TYR A 27 10.157 7.796 2.627 1.00 0.00 H new ATOM 0 HA TYR A 27 8.672 10.043 1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.300 7.462 0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.805 8.974 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.473 10.934 1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.485 7.119 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.826 11.622 0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.837 7.809 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 27 15.321 9.409 -0.321 1.00 0.00 H new ATOM 369 N LEU A 28 7.015 7.256 2.233 1.00 0.00 N ATOM 370 CA LEU A 28 5.679 6.672 2.307 1.00 0.00 C ATOM 371 C LEU A 28 4.794 7.467 3.259 1.00 0.00 C ATOM 372 O LEU A 28 3.664 7.816 2.923 1.00 0.00 O ATOM 373 CB LEU A 28 5.757 5.215 2.771 1.00 0.00 C ATOM 374 CG LEU A 28 6.388 4.243 1.771 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.460 2.844 2.361 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.603 4.231 0.466 1.00 0.00 C ATOM 0 H LEU A 28 7.756 6.660 2.603 1.00 0.00 H new ATOM 0 HA LEU A 28 5.241 6.706 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.327 5.177 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.749 4.870 3.002 1.00 0.00 H new ATOM 0 HG LEU A 28 7.402 4.581 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.911 2.166 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.066 2.862 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.455 2.499 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.067 3.534 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.577 3.919 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.602 5.231 0.033 1.00 0.00 H new ATOM 388 N GLU A 29 5.319 7.752 4.445 1.00 0.00 N ATOM 389 CA GLU A 29 4.578 8.504 5.450 1.00 0.00 C ATOM 390 C GLU A 29 4.212 9.893 4.936 1.00 0.00 C ATOM 391 O GLU A 29 3.166 10.437 5.288 1.00 0.00 O ATOM 392 CB GLU A 29 5.399 8.620 6.735 1.00 0.00 C ATOM 393 CG GLU A 29 5.686 7.280 7.398 1.00 0.00 C ATOM 394 CD GLU A 29 6.507 7.419 8.666 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.907 7.630 9.740 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.748 7.314 8.583 1.00 0.00 O ATOM 0 H GLU A 29 6.257 7.473 4.734 1.00 0.00 H new ATOM 0 HA GLU A 29 3.655 7.965 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.344 9.114 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.866 9.258 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.743 6.786 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.216 6.637 6.695 1.00 0.00 H new ATOM 403 N ASP A 30 5.077 10.461 4.101 1.00 0.00 N ATOM 404 CA ASP A 30 4.836 11.788 3.542 1.00 0.00 C ATOM 405 C ASP A 30 3.694 11.759 2.530 1.00 0.00 C ATOM 406 O ASP A 30 2.911 12.706 2.438 1.00 0.00 O ATOM 407 CB ASP A 30 6.107 12.322 2.878 1.00 0.00 C ATOM 408 CG ASP A 30 5.931 13.731 2.346 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.477 13.878 1.192 1.00 0.00 O ATOM 410 OD2 ASP A 30 6.246 14.687 3.085 1.00 0.00 O ATOM 0 H ASP A 30 5.948 10.026 3.797 1.00 0.00 H new ATOM 0 HA ASP A 30 4.553 12.451 4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.924 12.308 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.392 11.660 2.060 1.00 0.00 H new ATOM 415 N ILE A 31 3.600 10.668 1.776 1.00 0.00 N ATOM 416 CA ILE A 31 2.553 10.520 0.769 1.00 0.00 C ATOM 417 C ILE A 31 1.205 10.206 1.412 1.00 0.00 C ATOM 418 O ILE A 31 0.174 10.739 1.003 1.00 0.00 O ATOM 419 CB ILE A 31 2.902 9.410 -0.245 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.214 9.743 -0.961 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.774 9.230 -1.252 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.744 8.612 -1.817 1.00 0.00 C ATOM 0 H ILE A 31 4.236 9.873 1.843 1.00 0.00 H new ATOM 0 HA ILE A 31 2.484 11.473 0.244 1.00 0.00 H new ATOM 0 HB ILE A 31 3.028 8.472 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.063 10.621 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.966 10.008 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.039 8.443 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.859 8.954 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.616 10.164 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.675 8.921 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.928 7.738 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.011 8.361 -2.584 1.00 0.00 H new ATOM 434 N ILE A 32 1.219 9.339 2.418 1.00 0.00 N ATOM 435 CA ILE A 32 -0.005 8.957 3.113 1.00 0.00 C ATOM 436 C ILE A 32 -0.626 10.149 3.836 1.00 0.00 C ATOM 437 O ILE A 32 -1.849 10.260 3.931 1.00 0.00 O ATOM 438 CB ILE A 32 0.257 7.823 4.125 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.811 6.593 3.404 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.021 7.473 4.879 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.276 5.497 4.337 1.00 0.00 C ATOM 0 H ILE A 32 2.063 8.888 2.770 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.703 8.600 2.356 1.00 0.00 H new ATOM 0 HB ILE A 32 0.996 8.165 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.041 6.193 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.645 6.898 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.817 6.671 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.378 8.351 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.783 7.146 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.655 4.659 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.069 5.879 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.440 5.163 4.951 1.00 0.00 H new ATOM 453 N MET A 33 0.221 11.040 4.343 1.00 0.00 N ATOM 454 CA MET A 33 -0.251 12.220 5.057 1.00 0.00 C ATOM 455 C MET A 33 -0.484 13.389 4.101 1.00 0.00 C ATOM 456 O MET A 33 -0.730 14.515 4.534 1.00 0.00 O ATOM 457 CB MET A 33 0.751 12.626 6.139 1.00 0.00 C ATOM 458 CG MET A 33 0.975 11.554 7.196 1.00 0.00 C ATOM 459 SD MET A 33 -0.554 11.043 8.006 1.00 0.00 S ATOM 460 CE MET A 33 -1.061 12.576 8.780 1.00 0.00 C ATOM 0 H MET A 33 1.236 10.967 4.272 1.00 0.00 H new ATOM 0 HA MET A 33 -1.201 11.966 5.526 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.705 12.865 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.399 13.536 6.625 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.444 10.686 6.733 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.671 11.929 7.946 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.829 12.370 9.526 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.202 13.042 9.263 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.462 13.251 8.023 1.00 0.00 H new ATOM 470 N ASP A 34 -0.405 13.115 2.802 1.00 0.00 N ATOM 471 CA ASP A 34 -0.610 14.147 1.789 1.00 0.00 C ATOM 472 C ASP A 34 -2.098 14.444 1.612 1.00 0.00 C ATOM 473 O ASP A 34 -2.930 13.538 1.653 1.00 0.00 O ATOM 474 CB ASP A 34 0.003 13.710 0.456 1.00 0.00 C ATOM 475 CG ASP A 34 -0.024 14.813 -0.584 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.888 15.665 -0.569 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.958 14.825 -1.412 1.00 0.00 O ATOM 0 H ASP A 34 -0.201 12.189 2.426 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.115 15.058 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.033 13.394 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.539 12.844 0.077 1.00 0.00 H new ATOM 482 N ASP A 35 -2.423 15.719 1.416 1.00 0.00 N ATOM 483 CA ASP A 35 -3.810 16.142 1.239 1.00 0.00 C ATOM 484 C ASP A 35 -4.449 15.466 0.029 1.00 0.00 C ATOM 485 O ASP A 35 -5.583 14.995 0.097 1.00 0.00 O ATOM 486 CB ASP A 35 -3.887 17.662 1.081 1.00 0.00 C ATOM 487 CG ASP A 35 -3.310 18.402 2.272 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.031 18.559 3.280 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.138 18.826 2.197 1.00 0.00 O ATOM 0 H ASP A 35 -1.744 16.479 1.376 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.362 15.842 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.350 17.958 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.927 17.957 0.944 1.00 0.00 H new ATOM 494 N GLU A 36 -3.713 15.423 -1.078 1.00 0.00 N ATOM 495 CA GLU A 36 -4.214 14.814 -2.307 1.00 0.00 C ATOM 496 C GLU A 36 -4.449 13.314 -2.128 1.00 0.00 C ATOM 497 O GLU A 36 -5.242 12.713 -2.854 1.00 0.00 O ATOM 498 CB GLU A 36 -3.232 15.056 -3.454 1.00 0.00 C ATOM 499 CG GLU A 36 -3.742 14.584 -4.806 1.00 0.00 C ATOM 500 CD GLU A 36 -2.747 14.828 -5.924 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.694 15.968 -6.434 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.021 13.880 -6.289 1.00 0.00 O ATOM 0 H GLU A 36 -2.769 15.802 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.170 15.280 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.010 16.122 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.295 14.546 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.969 13.519 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.675 15.097 -5.037 1.00 0.00 H new ATOM 509 N PHE A 37 -3.760 12.715 -1.163 1.00 0.00 N ATOM 510 CA PHE A 37 -3.898 11.285 -0.902 1.00 0.00 C ATOM 511 C PHE A 37 -5.185 10.984 -0.139 1.00 0.00 C ATOM 512 O PHE A 37 -5.905 10.042 -0.471 1.00 0.00 O ATOM 513 CB PHE A 37 -2.691 10.767 -0.116 1.00 0.00 C ATOM 514 CG PHE A 37 -2.757 9.296 0.187 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.437 8.360 -0.783 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.143 8.852 1.442 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.498 7.007 -0.506 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.206 7.501 1.724 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.884 6.576 0.748 1.00 0.00 C ATOM 0 H PHE A 37 -3.102 13.195 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.944 10.774 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.783 10.972 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.613 11.319 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.137 8.691 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.397 9.570 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.244 6.287 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.507 7.168 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.934 5.519 0.966 1.00 0.00 H new ATOM 529 N GLN A 38 -5.468 11.785 0.883 1.00 0.00 N ATOM 530 CA GLN A 38 -6.669 11.596 1.690 1.00 0.00 C ATOM 531 C GLN A 38 -7.930 11.770 0.847 1.00 0.00 C ATOM 532 O GLN A 38 -8.884 11.001 0.971 1.00 0.00 O ATOM 533 CB GLN A 38 -6.684 12.583 2.861 1.00 0.00 C ATOM 534 CG GLN A 38 -5.537 12.386 3.839 1.00 0.00 C ATOM 535 CD GLN A 38 -5.598 13.350 5.010 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.677 13.770 5.426 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.436 13.705 5.547 1.00 0.00 N ATOM 0 H GLN A 38 -4.884 12.570 1.172 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.654 10.578 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.645 13.599 2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.628 12.484 3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.555 11.363 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.590 12.516 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.565 13.332 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.415 14.350 6.336 1.00 0.00 H new ATOM 546 N LEU A 39 -7.925 12.784 -0.013 1.00 0.00 N ATOM 547 CA LEU A 39 -9.067 13.066 -0.877 1.00 0.00 C ATOM 548 C LEU A 39 -9.239 11.979 -1.935 1.00 0.00 C ATOM 549 O LEU A 39 -10.353 11.528 -2.201 1.00 0.00 O ATOM 550 CB LEU A 39 -8.890 14.427 -1.556 1.00 0.00 C ATOM 551 CG LEU A 39 -9.993 14.811 -2.545 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.310 15.036 -1.817 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.596 16.051 -3.331 1.00 0.00 C ATOM 0 H LEU A 39 -7.141 13.426 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.963 13.085 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.832 15.195 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.935 14.431 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.127 13.988 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.082 15.308 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.601 14.121 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.192 15.840 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.392 16.309 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.433 16.881 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.678 15.853 -3.884 1.00 0.00 H new ATOM 565 N LEU A 40 -8.128 11.567 -2.534 1.00 0.00 N ATOM 566 CA LEU A 40 -8.145 10.539 -3.571 1.00 0.00 C ATOM 567 C LEU A 40 -8.676 9.210 -3.037 1.00 0.00 C ATOM 568 O LEU A 40 -9.567 8.603 -3.632 1.00 0.00 O ATOM 569 CB LEU A 40 -6.735 10.353 -4.142 1.00 0.00 C ATOM 570 CG LEU A 40 -6.583 9.232 -5.172 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.615 9.648 -6.269 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.107 7.952 -4.500 1.00 0.00 C ATOM 0 H LEU A 40 -7.199 11.930 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.818 10.870 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.422 11.290 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.050 10.159 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.557 9.043 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.518 8.840 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.993 10.540 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.640 9.863 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.004 7.165 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.143 8.128 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.833 7.645 -3.747 1.00 0.00 H new ATOM 584 N GLN A 41 -8.123 8.766 -1.913 1.00 0.00 N ATOM 585 CA GLN A 41 -8.528 7.501 -1.307 1.00 0.00 C ATOM 586 C GLN A 41 -10.012 7.497 -0.942 1.00 0.00 C ATOM 587 O GLN A 41 -10.735 6.557 -1.272 1.00 0.00 O ATOM 588 CB GLN A 41 -7.687 7.218 -0.060 1.00 0.00 C ATOM 589 CG GLN A 41 -8.017 5.893 0.609 1.00 0.00 C ATOM 590 CD GLN A 41 -7.180 5.635 1.846 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.769 6.568 2.538 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.920 4.364 2.130 1.00 0.00 N ATOM 0 H GLN A 41 -7.393 9.263 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.361 6.716 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.632 7.224 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.834 8.025 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.072 5.882 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.863 5.083 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.281 3.623 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.360 4.129 2.949 1.00 0.00 H new ATOM 601 N ARG A 42 -10.460 8.547 -0.262 1.00 0.00 N ATOM 602 CA ARG A 42 -11.856 8.649 0.154 1.00 0.00 C ATOM 603 C ARG A 42 -12.791 8.780 -1.045 1.00 0.00 C ATOM 604 O ARG A 42 -13.926 8.301 -1.014 1.00 0.00 O ATOM 605 CB ARG A 42 -12.044 9.842 1.092 1.00 0.00 C ATOM 606 CG ARG A 42 -13.445 9.945 1.672 1.00 0.00 C ATOM 607 CD ARG A 42 -13.582 11.149 2.591 1.00 0.00 C ATOM 608 NE ARG A 42 -14.905 11.223 3.205 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.394 12.322 3.773 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.673 13.435 3.802 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.605 12.308 4.310 1.00 0.00 N ATOM 0 H ARG A 42 -9.879 9.339 0.013 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.110 7.730 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.326 9.768 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.816 10.760 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.170 10.020 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.678 9.035 2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.823 11.097 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.394 12.061 2.024 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.487 10.385 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.741 13.450 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.051 14.276 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.163 11.454 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.980 13.151 4.745 1.00 0.00 H new ATOM 625 N ASN A 43 -12.314 9.432 -2.101 1.00 0.00 N ATOM 626 CA ASN A 43 -13.115 9.634 -3.304 1.00 0.00 C ATOM 627 C ASN A 43 -13.526 8.299 -3.922 1.00 0.00 C ATOM 628 O ASN A 43 -14.693 8.095 -4.255 1.00 0.00 O ATOM 629 CB ASN A 43 -12.337 10.467 -4.326 1.00 0.00 C ATOM 630 CG ASN A 43 -13.193 10.902 -5.502 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.120 10.201 -5.908 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.884 12.069 -6.057 1.00 0.00 N ATOM 0 H ASN A 43 -11.376 9.830 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.020 10.172 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.928 11.349 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.491 9.886 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.423 12.415 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.108 12.619 -5.689 1.00 0.00 H new ATOM 639 N PHE A 44 -12.562 7.396 -4.070 1.00 0.00 N ATOM 640 CA PHE A 44 -12.828 6.087 -4.657 1.00 0.00 C ATOM 641 C PHE A 44 -13.510 5.155 -3.657 1.00 0.00 C ATOM 642 O PHE A 44 -14.482 4.482 -3.995 1.00 0.00 O ATOM 643 CB PHE A 44 -11.530 5.458 -5.167 1.00 0.00 C ATOM 644 CG PHE A 44 -11.022 6.088 -6.433 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.603 5.782 -7.654 1.00 0.00 C ATOM 646 CD2 PHE A 44 -9.969 6.987 -6.404 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.142 6.360 -8.821 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.503 7.569 -7.568 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.091 7.255 -8.778 1.00 0.00 C ATOM 0 H PHE A 44 -11.592 7.546 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.507 6.231 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.765 5.543 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.693 4.394 -5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.426 5.083 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.506 7.236 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.603 6.112 -9.766 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.681 8.268 -7.532 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.729 7.709 -9.689 1.00 0.00 H new ATOM 659 N MET A 45 -13.001 5.122 -2.428 1.00 0.00 N ATOM 660 CA MET A 45 -13.571 4.267 -1.390 1.00 0.00 C ATOM 661 C MET A 45 -15.051 4.570 -1.178 1.00 0.00 C ATOM 662 O MET A 45 -15.810 3.712 -0.726 1.00 0.00 O ATOM 663 CB MET A 45 -12.816 4.442 -0.071 1.00 0.00 C ATOM 664 CG MET A 45 -11.472 3.731 -0.038 1.00 0.00 C ATOM 665 SD MET A 45 -10.712 3.757 1.598 1.00 0.00 S ATOM 666 CE MET A 45 -11.956 2.904 2.565 1.00 0.00 C ATOM 0 H MET A 45 -12.198 5.675 -2.127 1.00 0.00 H new ATOM 0 HA MET A 45 -13.472 3.234 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.659 5.505 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.435 4.068 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.604 2.697 -0.356 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.799 4.201 -0.755 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.469 2.279 3.314 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.595 3.634 3.062 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.562 2.279 1.909 1.00 0.00 H new ATOM 676 N ASP A 46 -15.454 5.793 -1.508 1.00 0.00 N ATOM 677 CA ASP A 46 -16.844 6.211 -1.355 1.00 0.00 C ATOM 678 C ASP A 46 -17.775 5.321 -2.173 1.00 0.00 C ATOM 679 O ASP A 46 -18.928 5.103 -1.803 1.00 0.00 O ATOM 680 CB ASP A 46 -17.010 7.671 -1.781 1.00 0.00 C ATOM 681 CG ASP A 46 -18.413 8.188 -1.540 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.259 8.063 -2.451 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.669 8.719 -0.438 1.00 0.00 O ATOM 0 H ASP A 46 -14.837 6.513 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.111 6.114 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.299 8.289 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.767 7.768 -2.839 1.00 0.00 H new ATOM 688 N LYS A 47 -17.267 4.815 -3.293 1.00 0.00 N ATOM 689 CA LYS A 47 -18.050 3.950 -4.168 1.00 0.00 C ATOM 690 C LYS A 47 -17.734 2.479 -3.915 1.00 0.00 C ATOM 691 O LYS A 47 -18.604 1.617 -4.036 1.00 0.00 O ATOM 692 CB LYS A 47 -17.774 4.291 -5.631 1.00 0.00 C ATOM 693 CG LYS A 47 -18.377 5.615 -6.078 1.00 0.00 C ATOM 694 CD LYS A 47 -19.897 5.578 -6.053 1.00 0.00 C ATOM 695 CE LYS A 47 -20.492 6.896 -6.523 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.073 8.035 -5.661 1.00 0.00 N ATOM 0 H LYS A 47 -16.315 4.990 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.104 4.119 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.696 4.321 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.167 3.493 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.022 6.415 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.035 5.849 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.253 4.769 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.241 5.362 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.184 7.087 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.580 6.823 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.827 8.751 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.894 7.692 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.204 8.459 -6.044 1.00 0.00 H new ATOM 710 N TYR A 48 -16.482 2.201 -3.570 1.00 0.00 N ATOM 711 CA TYR A 48 -16.042 0.835 -3.304 1.00 0.00 C ATOM 712 C TYR A 48 -16.862 0.180 -2.194 1.00 0.00 C ATOM 713 O TYR A 48 -17.431 -0.894 -2.390 1.00 0.00 O ATOM 714 CB TYR A 48 -14.558 0.819 -2.928 1.00 0.00 C ATOM 715 CG TYR A 48 -13.624 0.774 -4.119 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.668 1.754 -5.103 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.696 -0.251 -4.257 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.816 1.712 -6.190 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.839 -0.299 -5.341 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.903 0.686 -6.304 1.00 0.00 C ATOM 721 OH TYR A 48 -11.053 0.642 -7.385 1.00 0.00 O ATOM 0 H TYR A 48 -15.751 2.905 -3.468 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.194 0.260 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.334 1.706 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.363 -0.045 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.380 2.562 -5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.643 -1.024 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.865 2.480 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.124 -1.103 -5.433 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.139 0.837 -7.090 1.00 0.00 H new ATOM 731 N TYR A 49 -16.927 0.830 -1.034 1.00 0.00 N ATOM 732 CA TYR A 49 -17.669 0.287 0.103 1.00 0.00 C ATOM 733 C TYR A 49 -19.136 0.044 -0.252 1.00 0.00 C ATOM 734 O TYR A 49 -19.840 -0.682 0.452 1.00 0.00 O ATOM 735 CB TYR A 49 -17.547 1.214 1.321 1.00 0.00 C ATOM 736 CG TYR A 49 -18.675 2.216 1.477 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.637 3.447 0.834 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.774 1.930 2.280 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.660 4.363 0.985 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.801 2.842 2.437 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.739 4.056 1.787 1.00 0.00 C ATOM 742 OH TYR A 49 -21.759 4.967 1.941 1.00 0.00 O ATOM 0 H TYR A 49 -16.478 1.728 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.229 -0.677 0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.497 0.602 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.605 1.758 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.794 3.692 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.826 0.979 2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.615 5.315 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.647 2.605 3.065 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.442 4.595 2.537 1.00 0.00 H new ATOM 752 N LEU A 50 -19.591 0.654 -1.342 1.00 0.00 N ATOM 753 CA LEU A 50 -20.971 0.492 -1.786 1.00 0.00 C ATOM 754 C LEU A 50 -21.140 -0.809 -2.567 1.00 0.00 C ATOM 755 O LEU A 50 -22.116 -1.535 -2.377 1.00 0.00 O ATOM 756 CB LEU A 50 -21.397 1.679 -2.654 1.00 0.00 C ATOM 757 CG LEU A 50 -21.517 3.015 -1.918 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.804 4.139 -2.899 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.608 2.942 -0.857 1.00 0.00 C ATOM 0 H LEU A 50 -19.026 1.264 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.607 0.453 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.677 1.792 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.359 1.447 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.568 3.223 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.886 5.082 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.992 4.206 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.740 3.937 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.680 3.900 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.562 2.712 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.363 2.161 -0.137 1.00 0.00 H new ATOM 771 N GLU A 51 -20.182 -1.096 -3.446 1.00 0.00 N ATOM 772 CA GLU A 51 -20.225 -2.310 -4.254 1.00 0.00 C ATOM 773 C GLU A 51 -19.962 -3.545 -3.402 1.00 0.00 C ATOM 774 O GLU A 51 -20.561 -4.599 -3.618 1.00 0.00 O ATOM 775 CB GLU A 51 -19.199 -2.234 -5.387 1.00 0.00 C ATOM 776 CG GLU A 51 -19.450 -1.099 -6.366 1.00 0.00 C ATOM 777 CD GLU A 51 -20.822 -1.177 -7.008 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.994 -1.983 -7.946 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.724 -0.430 -6.571 1.00 0.00 O ATOM 0 H GLU A 51 -19.368 -0.505 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.225 -2.391 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.204 -2.117 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.202 -3.178 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.350 -0.146 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.687 -1.119 -7.144 1.00 0.00 H new ATOM 786 N PHE A 52 -19.060 -3.412 -2.433 1.00 0.00 N ATOM 787 CA PHE A 52 -18.723 -4.521 -1.550 1.00 0.00 C ATOM 788 C PHE A 52 -19.826 -4.750 -0.524 1.00 0.00 C ATOM 789 O PHE A 52 -19.793 -4.199 0.577 1.00 0.00 O ATOM 790 CB PHE A 52 -17.389 -4.264 -0.845 1.00 0.00 C ATOM 791 CG PHE A 52 -16.191 -4.557 -1.702 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.647 -5.830 -1.739 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.609 -3.561 -2.472 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.546 -6.106 -2.526 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.507 -3.832 -3.261 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.975 -5.106 -3.288 1.00 0.00 C ATOM 0 H PHE A 52 -18.551 -2.549 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.627 -5.420 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.351 -3.223 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.340 -4.876 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.089 -6.616 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -16.021 -2.563 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.132 -7.103 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.062 -3.048 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.114 -5.320 -3.904 1.00 0.00 H new ATOM 806 N GLU A 53 -20.807 -5.562 -0.901 1.00 0.00 N ATOM 807 CA GLU A 53 -21.927 -5.874 -0.023 1.00 0.00 C ATOM 808 C GLU A 53 -21.782 -7.280 0.547 1.00 0.00 C ATOM 809 O GLU A 53 -21.291 -8.185 -0.128 1.00 0.00 O ATOM 810 CB GLU A 53 -23.245 -5.751 -0.790 1.00 0.00 C ATOM 811 CG GLU A 53 -24.475 -6.037 0.056 1.00 0.00 C ATOM 812 CD GLU A 53 -25.767 -5.868 -0.719 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.176 -6.826 -1.409 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.369 -4.777 -0.639 1.00 0.00 O ATOM 0 H GLU A 53 -20.849 -6.017 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.930 -5.163 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.323 -4.744 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.229 -6.439 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.417 -7.055 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.482 -5.369 0.918 1.00 0.00 H new ATOM 821 N ASP A 54 -22.208 -7.457 1.793 1.00 0.00 N ATOM 822 CA ASP A 54 -22.123 -8.755 2.449 1.00 0.00 C ATOM 823 C ASP A 54 -23.011 -9.777 1.745 1.00 0.00 C ATOM 824 O ASP A 54 -24.227 -9.797 1.940 1.00 0.00 O ATOM 825 CB ASP A 54 -22.525 -8.635 3.922 1.00 0.00 C ATOM 826 CG ASP A 54 -22.359 -9.941 4.676 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.302 -10.758 4.660 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.285 -10.143 5.281 1.00 0.00 O ATOM 0 H ASP A 54 -22.615 -6.719 2.367 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.090 -9.098 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.920 -7.864 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.564 -8.311 3.987 1.00 0.00 H new ATOM 833 N THR A 55 -22.395 -10.618 0.919 1.00 0.00 N ATOM 834 CA THR A 55 -23.126 -11.642 0.182 1.00 0.00 C ATOM 835 C THR A 55 -22.480 -13.012 0.356 1.00 0.00 C ATOM 836 O THR A 55 -21.345 -13.119 0.823 1.00 0.00 O ATOM 837 CB THR A 55 -23.196 -11.311 -1.322 1.00 0.00 C ATOM 838 OG1 THR A 55 -21.876 -11.290 -1.881 1.00 0.00 O ATOM 839 CG2 THR A 55 -23.869 -9.965 -1.552 1.00 0.00 C ATOM 0 H THR A 55 -21.390 -10.610 0.744 1.00 0.00 H new ATOM 0 HA THR A 55 -24.136 -11.663 0.591 1.00 0.00 H new ATOM 0 HB THR A 55 -23.788 -12.084 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.929 -11.081 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.906 -9.755 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.883 -9.992 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.301 -9.183 -1.048 1.00 0.00 H new ATOM 847 N GLU A 56 -23.209 -14.057 -0.023 1.00 0.00 N ATOM 848 CA GLU A 56 -22.707 -15.423 0.087 1.00 0.00 C ATOM 849 C GLU A 56 -22.232 -15.935 -1.269 1.00 0.00 C ATOM 850 O GLU A 56 -21.242 -16.662 -1.357 1.00 0.00 O ATOM 851 CB GLU A 56 -23.790 -16.347 0.645 1.00 0.00 C ATOM 852 CG GLU A 56 -24.192 -16.016 2.073 1.00 0.00 C ATOM 853 CD GLU A 56 -25.267 -16.944 2.605 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.921 -18.055 3.058 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.454 -16.558 2.568 1.00 0.00 O ATOM 0 H GLU A 56 -24.150 -13.984 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.860 -15.418 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.671 -16.289 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.434 -17.376 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.314 -16.075 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.550 -14.988 2.117 1.00 0.00 H new ATOM 862 N GLU A 57 -22.946 -15.552 -2.323 1.00 0.00 N ATOM 863 CA GLU A 57 -22.600 -15.971 -3.676 1.00 0.00 C ATOM 864 C GLU A 57 -21.511 -15.073 -4.257 1.00 0.00 C ATOM 865 O GLU A 57 -21.683 -13.857 -4.355 1.00 0.00 O ATOM 866 CB GLU A 57 -23.839 -15.943 -4.572 1.00 0.00 C ATOM 867 CG GLU A 57 -23.587 -16.458 -5.981 1.00 0.00 C ATOM 868 CD GLU A 57 -24.837 -16.443 -6.838 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.108 -15.404 -7.474 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.544 -17.472 -6.874 1.00 0.00 O ATOM 0 H GLU A 57 -23.769 -14.952 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.219 -16.991 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.624 -16.543 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.212 -14.920 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.818 -15.848 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.199 -17.475 -5.928 1.00 0.00 H new ATOM 877 N ASN A 58 -20.392 -15.681 -4.639 1.00 0.00 N ATOM 878 CA ASN A 58 -19.270 -14.940 -5.207 1.00 0.00 C ATOM 879 C ASN A 58 -19.671 -14.237 -6.500 1.00 0.00 C ATOM 880 O ASN A 58 -20.057 -14.883 -7.476 1.00 0.00 O ATOM 881 CB ASN A 58 -18.094 -15.883 -5.470 1.00 0.00 C ATOM 882 CG ASN A 58 -16.892 -15.164 -6.051 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.032 -14.678 -5.319 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.830 -15.093 -7.376 1.00 0.00 N ATOM 0 H ASN A 58 -20.238 -16.687 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.969 -14.181 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.807 -16.369 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.409 -16.669 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.046 -14.621 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.567 -15.511 -7.944 1.00 0.00 H new ATOM 891 N LYS A 59 -19.578 -12.910 -6.500 1.00 0.00 N ATOM 892 CA LYS A 59 -19.928 -12.117 -7.673 1.00 0.00 C ATOM 893 C LYS A 59 -18.697 -11.864 -8.538 1.00 0.00 C ATOM 894 O LYS A 59 -17.577 -11.780 -8.031 1.00 0.00 O ATOM 895 CB LYS A 59 -20.557 -10.786 -7.250 1.00 0.00 C ATOM 896 CG LYS A 59 -21.780 -10.946 -6.359 1.00 0.00 C ATOM 897 CD LYS A 59 -22.318 -9.601 -5.894 1.00 0.00 C ATOM 898 CE LYS A 59 -22.963 -8.829 -7.035 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.106 -9.572 -7.635 1.00 0.00 N ATOM 0 H LYS A 59 -19.263 -12.362 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.655 -12.678 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.810 -10.192 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.839 -10.227 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.559 -11.481 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.521 -11.554 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.049 -9.756 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.506 -9.011 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.311 -7.863 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.217 -8.628 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.689 -8.918 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.744 -10.327 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.684 -9.990 -6.878 1.00 0.00 H new ATOM 913 N LEU A 60 -18.909 -11.744 -9.844 1.00 0.00 N ATOM 914 CA LEU A 60 -17.815 -11.510 -10.779 1.00 0.00 C ATOM 915 C LEU A 60 -17.405 -10.040 -10.802 1.00 0.00 C ATOM 916 O LEU A 60 -16.325 -9.702 -11.283 1.00 0.00 O ATOM 917 CB LEU A 60 -18.211 -11.959 -12.190 1.00 0.00 C ATOM 918 CG LEU A 60 -18.265 -13.475 -12.414 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.922 -14.116 -12.100 1.00 0.00 C ATOM 920 CD2 LEU A 60 -19.367 -14.107 -11.577 1.00 0.00 C ATOM 0 H LEU A 60 -19.829 -11.805 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.962 -12.098 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.190 -11.541 -12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.504 -11.530 -12.900 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.491 -13.652 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.984 -15.191 -12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -16.156 -13.692 -12.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.662 -13.924 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -19.386 -15.183 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.177 -13.915 -10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -20.329 -13.677 -11.857 1.00 0.00 H new ATOM 932 N ILE A 61 -18.268 -9.171 -10.283 1.00 0.00 N ATOM 933 CA ILE A 61 -17.989 -7.738 -10.257 1.00 0.00 C ATOM 934 C ILE A 61 -16.802 -7.418 -9.347 1.00 0.00 C ATOM 935 O ILE A 61 -16.200 -6.344 -9.442 1.00 0.00 O ATOM 936 CB ILE A 61 -19.223 -6.938 -9.790 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.997 -5.436 -9.982 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.539 -7.248 -8.333 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.856 -5.020 -11.432 1.00 0.00 C ATOM 0 H ILE A 61 -19.165 -9.433 -9.875 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.740 -7.444 -11.277 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.076 -7.237 -10.400 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.831 -4.893 -9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.099 -5.141 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.412 -6.675 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.745 -8.313 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.686 -6.978 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.699 -3.943 -11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.005 -5.535 -11.877 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.763 -5.283 -11.976 1.00 0.00 H new ATOM 951 N TYR A 62 -16.461 -8.360 -8.476 1.00 0.00 N ATOM 952 CA TYR A 62 -15.352 -8.175 -7.546 1.00 0.00 C ATOM 953 C TYR A 62 -14.005 -8.189 -8.267 1.00 0.00 C ATOM 954 O TYR A 62 -13.019 -7.662 -7.753 1.00 0.00 O ATOM 955 CB TYR A 62 -15.372 -9.258 -6.466 1.00 0.00 C ATOM 956 CG TYR A 62 -16.518 -9.123 -5.488 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.667 -7.978 -4.715 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.452 -10.141 -5.337 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.713 -7.851 -3.820 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.500 -10.021 -4.445 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.626 -8.876 -3.689 1.00 0.00 C ATOM 962 OH TYR A 62 -19.668 -8.754 -2.799 1.00 0.00 O ATOM 0 H TYR A 62 -16.935 -9.259 -8.394 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.478 -7.198 -7.079 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.429 -10.235 -6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.431 -9.227 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.953 -7.173 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.357 -11.041 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.814 -6.954 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.218 -10.821 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.220 -9.563 -2.829 1.00 0.00 H new ATOM 972 N THR A 63 -13.962 -8.788 -9.456 1.00 0.00 N ATOM 973 CA THR A 63 -12.719 -8.857 -10.216 1.00 0.00 C ATOM 974 C THR A 63 -12.377 -7.510 -10.868 1.00 0.00 C ATOM 975 O THR A 63 -11.270 -7.004 -10.684 1.00 0.00 O ATOM 976 CB THR A 63 -12.765 -9.962 -11.294 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.053 -11.227 -10.686 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.442 -10.047 -12.041 1.00 0.00 C ATOM 0 H THR A 63 -14.764 -9.227 -9.908 1.00 0.00 H new ATOM 0 HA THR A 63 -11.935 -9.106 -9.501 1.00 0.00 H new ATOM 0 HB THR A 63 -13.552 -9.710 -12.005 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.082 -11.922 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.500 -10.832 -12.795 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.236 -9.093 -12.526 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.641 -10.277 -11.338 1.00 0.00 H new ATOM 986 N PRO A 64 -13.310 -6.901 -11.635 1.00 0.00 N ATOM 987 CA PRO A 64 -13.062 -5.605 -12.278 1.00 0.00 C ATOM 988 C PRO A 64 -12.763 -4.511 -11.262 1.00 0.00 C ATOM 989 O PRO A 64 -11.836 -3.720 -11.440 1.00 0.00 O ATOM 990 CB PRO A 64 -14.369 -5.297 -13.015 1.00 0.00 C ATOM 991 CG PRO A 64 -15.051 -6.611 -13.160 1.00 0.00 C ATOM 992 CD PRO A 64 -14.653 -7.417 -11.958 1.00 0.00 C ATOM 0 HA PRO A 64 -12.193 -5.644 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.983 -4.594 -12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.176 -4.844 -13.987 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.133 -6.486 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.748 -7.108 -14.081 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.348 -7.276 -11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.632 -8.484 -12.178 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.556 -4.469 -10.192 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.373 -3.466 -9.150 1.00 0.00 C ATOM 1002 C ILE A 65 -11.995 -3.589 -8.504 1.00 0.00 C ATOM 1003 O ILE A 65 -11.278 -2.597 -8.353 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.459 -3.580 -8.061 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.846 -3.367 -8.674 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.203 -2.570 -6.948 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.983 -3.600 -7.702 1.00 0.00 C ATOM 0 H ILE A 65 -14.327 -5.116 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.457 -2.491 -9.630 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.421 -4.581 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.911 -2.349 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.964 -4.037 -9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.978 -2.663 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.229 -2.763 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.219 -1.561 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.934 -3.431 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.944 -4.626 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.891 -2.911 -6.862 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.628 -4.809 -8.126 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.337 -5.056 -7.495 1.00 0.00 C ATOM 1021 C PHE A 66 -9.196 -4.582 -8.389 1.00 0.00 C ATOM 1022 O PHE A 66 -8.214 -4.014 -7.909 1.00 0.00 O ATOM 1023 CB PHE A 66 -10.171 -6.542 -7.174 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.913 -6.853 -6.414 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.842 -6.637 -5.047 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.801 -7.361 -7.067 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.685 -6.920 -4.345 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.641 -7.646 -6.369 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.584 -7.425 -5.007 1.00 0.00 C ATOM 0 H PHE A 66 -12.206 -5.641 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.304 -4.490 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.030 -6.878 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.174 -7.109 -8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.701 -6.243 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.840 -7.536 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.643 -6.746 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.781 -8.041 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.679 -7.647 -4.461 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.330 -4.817 -9.693 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.310 -4.409 -10.653 1.00 0.00 C ATOM 1041 C ASN A 67 -8.176 -2.890 -10.685 1.00 0.00 C ATOM 1042 O ASN A 67 -7.085 -2.357 -10.887 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.649 -4.932 -12.049 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.722 -6.448 -12.100 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.513 -7.015 -12.854 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.894 -7.112 -11.300 1.00 0.00 N ATOM 0 H ASN A 67 -10.135 -5.287 -10.107 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.358 -4.836 -10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.604 -4.515 -12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.897 -4.584 -12.757 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.898 -8.132 -11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.255 -6.602 -10.691 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.294 -2.198 -10.486 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.301 -0.739 -10.484 1.00 0.00 C ATOM 1055 C GLU A 68 -8.474 -0.205 -9.321 1.00 0.00 C ATOM 1056 O GLU A 68 -7.791 0.812 -9.443 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.734 -0.212 -10.387 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.827 1.306 -10.401 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.282 1.913 -11.679 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -9.071 2.216 -11.723 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -11.066 2.087 -12.635 1.00 0.00 O ATOM 0 H GLU A 68 -10.206 -2.624 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.860 -0.393 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.316 -0.611 -11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.189 -0.587 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.868 1.603 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.278 1.708 -9.550 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.545 -0.901 -8.191 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.802 -0.512 -6.998 1.00 0.00 C ATOM 1070 C TYR A 69 -6.303 -0.714 -7.204 1.00 0.00 C ATOM 1071 O TYR A 69 -5.484 0.076 -6.732 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.280 -1.334 -5.799 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.688 -0.898 -4.479 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.263 0.132 -3.747 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.558 -1.519 -3.962 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.728 0.532 -2.538 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.018 -1.126 -2.753 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.606 -0.100 -2.044 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.072 0.295 -0.840 1.00 0.00 O ATOM 0 H TYR A 69 -9.112 -1.741 -8.077 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.983 0.546 -6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.366 -1.269 -5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.032 -2.382 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.143 0.628 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.094 -2.323 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.186 1.336 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.139 -1.620 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.285 -0.252 -0.636 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.957 -1.780 -7.917 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.563 -2.103 -8.191 1.00 0.00 C ATOM 1091 C ILE A 70 -3.967 -1.160 -9.235 1.00 0.00 C ATOM 1092 O ILE A 70 -2.767 -0.888 -9.228 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.423 -3.560 -8.681 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -5.014 -4.528 -7.648 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.966 -3.895 -8.963 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.325 -4.487 -6.299 1.00 0.00 C ATOM 0 H ILE A 70 -6.627 -2.437 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.015 -1.982 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.980 -3.667 -9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.071 -4.297 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.958 -5.543 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.890 -4.926 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.581 -3.226 -9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.381 -3.773 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.801 -5.199 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.274 -4.748 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.404 -3.484 -5.881 1.00 0.00 H new ATOM 1108 N SER A 71 -4.808 -0.664 -10.132 1.00 0.00 N ATOM 1109 CA SER A 71 -4.356 0.242 -11.180 1.00 0.00 C ATOM 1110 C SER A 71 -4.350 1.691 -10.701 1.00 0.00 C ATOM 1111 O SER A 71 -3.577 2.511 -11.193 1.00 0.00 O ATOM 1112 CB SER A 71 -5.248 0.107 -12.416 1.00 0.00 C ATOM 1113 OG SER A 71 -5.213 -1.212 -12.931 1.00 0.00 O ATOM 0 H SER A 71 -5.806 -0.873 -10.156 1.00 0.00 H new ATOM 0 HA SER A 71 -3.334 -0.033 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.273 0.373 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.920 0.809 -13.183 1.00 0.00 H new ATOM 0 HG SER A 71 -5.785 -1.791 -12.385 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.229 2.007 -9.756 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.321 3.365 -9.229 1.00 0.00 C ATOM 1121 C LEU A 72 -4.413 3.575 -8.013 1.00 0.00 C ATOM 1122 O LEU A 72 -3.483 4.383 -8.053 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.779 3.681 -8.867 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.102 5.150 -8.549 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.683 5.505 -7.131 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.437 6.085 -9.552 1.00 0.00 C ATOM 0 H LEU A 72 -5.885 1.346 -9.341 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.979 4.048 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.413 3.363 -9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.055 3.076 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.182 5.277 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.923 6.549 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.216 4.869 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.610 5.351 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.682 7.118 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.356 5.949 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.797 5.858 -10.555 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.684 2.837 -6.938 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.920 2.968 -5.696 1.00 0.00 C ATOM 1140 C VAL A 73 -2.522 2.359 -5.780 1.00 0.00 C ATOM 1141 O VAL A 73 -1.525 3.065 -5.624 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.676 2.334 -4.515 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.887 2.487 -3.222 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.057 2.955 -4.378 1.00 0.00 C ATOM 0 H VAL A 73 -5.428 2.140 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.804 4.040 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.793 1.269 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.441 2.031 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.920 1.994 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.734 3.546 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.580 2.497 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.958 4.026 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.624 2.788 -5.294 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.447 1.051 -6.015 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.156 0.367 -6.087 1.00 0.00 C ATOM 1156 C GLU A 74 -0.217 1.061 -7.068 1.00 0.00 C ATOM 1157 O GLU A 74 0.988 1.157 -6.826 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.340 -1.099 -6.486 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.046 -1.899 -6.473 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.234 -3.322 -6.960 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.626 -4.182 -6.143 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.012 -3.577 -8.158 1.00 0.00 O ATOM 0 H GLU A 74 -3.257 0.447 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.707 0.408 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.053 -1.565 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.775 -1.144 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.692 -1.399 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.356 -1.916 -5.460 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.774 1.548 -8.168 1.00 0.00 N ATOM 1170 CA LYS A 75 0.016 2.235 -9.181 1.00 0.00 C ATOM 1171 C LYS A 75 0.451 3.609 -8.682 1.00 0.00 C ATOM 1172 O LYS A 75 1.537 4.083 -9.012 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.789 2.379 -10.472 1.00 0.00 C ATOM 1174 CG LYS A 75 0.021 2.900 -11.647 1.00 0.00 C ATOM 1175 CD LYS A 75 1.080 1.901 -12.082 1.00 0.00 C ATOM 1176 CE LYS A 75 1.817 2.375 -13.324 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.888 2.608 -14.465 1.00 0.00 N ATOM 0 H LYS A 75 -1.769 1.480 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 75 0.907 1.640 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.211 1.409 -10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.627 3.053 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.645 3.113 -12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.498 3.841 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.792 1.748 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.612 0.937 -12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.354 3.297 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.563 1.633 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.428 2.629 -15.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.187 1.841 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.399 3.517 -14.335 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.406 4.242 -7.886 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.113 5.563 -7.341 1.00 0.00 C ATOM 1193 C TYR A 76 1.174 5.548 -6.517 1.00 0.00 C ATOM 1194 O TYR A 76 2.111 6.294 -6.804 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.279 6.054 -6.480 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.088 7.453 -5.938 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -0.971 8.540 -6.796 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.027 7.688 -4.570 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -0.797 9.820 -6.305 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.853 8.966 -4.073 1.00 0.00 C ATOM 1201 CZ TYR A 76 -0.738 10.028 -4.944 1.00 0.00 C ATOM 1202 OH TYR A 76 -0.566 11.300 -4.453 1.00 0.00 O ATOM 0 H TYR A 76 -1.309 3.861 -7.604 1.00 0.00 H new ATOM 0 HA TYR A 76 0.026 6.247 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.194 6.025 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.418 5.366 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.017 8.382 -7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.117 6.859 -3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.708 10.654 -6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.807 9.132 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.547 11.273 -3.474 1.00 0.00 H new ATOM 1212 N ILE A 77 1.214 4.697 -5.493 1.00 0.00 N ATOM 1213 CA ILE A 77 2.389 4.594 -4.629 1.00 0.00 C ATOM 1214 C ILE A 77 3.629 4.201 -5.427 1.00 0.00 C ATOM 1215 O ILE A 77 4.698 4.788 -5.256 1.00 0.00 O ATOM 1216 CB ILE A 77 2.178 3.562 -3.499 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.950 3.932 -2.659 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.424 3.473 -2.624 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.680 2.972 -1.516 1.00 0.00 C ATOM 0 H ILE A 77 0.449 4.071 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 77 2.536 5.580 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 77 2.003 2.584 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.087 4.935 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.074 3.966 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.261 2.742 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.275 3.165 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.628 4.448 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.203 3.299 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.511 1.971 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.538 2.955 -0.844 1.00 0.00 H new ATOM 1231 N GLU A 78 3.478 3.206 -6.294 1.00 0.00 N ATOM 1232 CA GLU A 78 4.586 2.724 -7.113 1.00 0.00 C ATOM 1233 C GLU A 78 5.214 3.854 -7.928 1.00 0.00 C ATOM 1234 O GLU A 78 6.433 4.017 -7.938 1.00 0.00 O ATOM 1235 CB GLU A 78 4.105 1.610 -8.047 1.00 0.00 C ATOM 1236 CG GLU A 78 5.209 1.007 -8.900 1.00 0.00 C ATOM 1237 CD GLU A 78 4.707 -0.105 -9.799 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.264 0.197 -10.927 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.755 -1.279 -9.375 1.00 0.00 O ATOM 0 H GLU A 78 2.597 2.716 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 78 5.349 2.330 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.647 0.821 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.329 2.007 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.659 1.789 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.994 0.619 -8.251 1.00 0.00 H new ATOM 1246 N GLU A 79 4.376 4.631 -8.606 1.00 0.00 N ATOM 1247 CA GLU A 79 4.853 5.735 -9.434 1.00 0.00 C ATOM 1248 C GLU A 79 5.505 6.833 -8.594 1.00 0.00 C ATOM 1249 O GLU A 79 6.567 7.344 -8.947 1.00 0.00 O ATOM 1250 CB GLU A 79 3.701 6.323 -10.252 1.00 0.00 C ATOM 1251 CG GLU A 79 3.162 5.379 -11.314 1.00 0.00 C ATOM 1252 CD GLU A 79 4.216 4.978 -12.327 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.477 5.770 -13.257 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.779 3.871 -12.191 1.00 0.00 O ATOM 0 H GLU A 79 3.362 4.517 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 79 5.609 5.334 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.890 6.597 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.040 7.241 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.767 4.484 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.330 5.857 -11.831 1.00 0.00 H new ATOM 1261 N GLN A 80 4.866 7.190 -7.483 1.00 0.00 N ATOM 1262 CA GLN A 80 5.386 8.235 -6.605 1.00 0.00 C ATOM 1263 C GLN A 80 6.785 7.895 -6.102 1.00 0.00 C ATOM 1264 O GLN A 80 7.625 8.779 -5.934 1.00 0.00 O ATOM 1265 CB GLN A 80 4.444 8.447 -5.417 1.00 0.00 C ATOM 1266 CG GLN A 80 3.151 9.156 -5.783 1.00 0.00 C ATOM 1267 CD GLN A 80 3.376 10.594 -6.208 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.587 10.881 -7.387 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.331 11.509 -5.246 1.00 0.00 N ATOM 0 H GLN A 80 3.990 6.773 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 80 5.448 9.155 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.205 7.479 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.962 9.026 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.660 8.614 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.475 9.135 -4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.153 11.227 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.474 12.493 -5.471 1.00 0.00 H new ATOM 1278 N LEU A 81 7.028 6.612 -5.861 1.00 0.00 N ATOM 1279 CA LEU A 81 8.325 6.158 -5.373 1.00 0.00 C ATOM 1280 C LEU A 81 9.356 6.109 -6.496 1.00 0.00 C ATOM 1281 O LEU A 81 10.528 6.426 -6.288 1.00 0.00 O ATOM 1282 CB LEU A 81 8.187 4.781 -4.720 1.00 0.00 C ATOM 1283 CG LEU A 81 7.311 4.748 -3.466 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.068 3.315 -3.021 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.955 5.552 -2.346 1.00 0.00 C ATOM 0 H LEU A 81 6.344 5.867 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 81 8.675 6.874 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.774 4.087 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.181 4.417 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 81 6.349 5.200 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.443 3.312 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.565 2.767 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.022 2.837 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.319 5.518 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.930 5.128 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.078 6.587 -2.665 1.00 0.00 H new ATOM 1297 N LEU A 82 8.916 5.713 -7.687 1.00 0.00 N ATOM 1298 CA LEU A 82 9.806 5.625 -8.840 1.00 0.00 C ATOM 1299 C LEU A 82 10.293 7.009 -9.262 1.00 0.00 C ATOM 1300 O LEU A 82 11.337 7.140 -9.903 1.00 0.00 O ATOM 1301 CB LEU A 82 9.101 4.936 -10.012 1.00 0.00 C ATOM 1302 CG LEU A 82 8.839 3.437 -9.829 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.990 2.900 -10.972 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.151 2.671 -9.739 1.00 0.00 C ATOM 0 H LEU A 82 7.950 5.448 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 82 10.672 5.029 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.148 5.436 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.703 5.076 -10.910 1.00 0.00 H new ATOM 0 HG LEU A 82 8.293 3.297 -8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.814 1.834 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.035 3.426 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.511 3.055 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.944 1.609 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.723 2.820 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.727 3.035 -8.888 1.00 0.00 H new ATOM 1316 N GLN A 83 9.530 8.038 -8.900 1.00 0.00 N ATOM 1317 CA GLN A 83 9.880 9.414 -9.241 1.00 0.00 C ATOM 1318 C GLN A 83 11.295 9.756 -8.780 1.00 0.00 C ATOM 1319 O GLN A 83 11.935 10.653 -9.330 1.00 0.00 O ATOM 1320 CB GLN A 83 8.883 10.389 -8.612 1.00 0.00 C ATOM 1321 CG GLN A 83 7.491 10.326 -9.225 1.00 0.00 C ATOM 1322 CD GLN A 83 7.350 11.186 -10.470 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.273 11.714 -10.750 1.00 0.00 O ATOM 1324 NE2 GLN A 83 8.432 11.326 -11.229 1.00 0.00 N ATOM 0 H GLN A 83 8.664 7.944 -8.370 1.00 0.00 H new ATOM 0 HA GLN A 83 9.840 9.507 -10.326 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.809 10.180 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.269 11.404 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.257 9.291 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.759 10.647 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.305 10.872 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.389 11.888 -12.079 1.00 0.00 H new ATOM 1333 N ARG A 84 11.778 9.040 -7.769 1.00 0.00 N ATOM 1334 CA ARG A 84 13.117 9.275 -7.241 1.00 0.00 C ATOM 1335 C ARG A 84 13.988 8.029 -7.375 1.00 0.00 C ATOM 1336 O ARG A 84 15.176 8.124 -7.686 1.00 0.00 O ATOM 1337 CB ARG A 84 13.039 9.706 -5.775 1.00 0.00 C ATOM 1338 CG ARG A 84 14.390 10.055 -5.173 1.00 0.00 C ATOM 1339 CD ARG A 84 14.249 10.583 -3.754 1.00 0.00 C ATOM 1340 NE ARG A 84 15.539 10.955 -3.181 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.721 12.008 -2.390 1.00 0.00 C ATOM 1342 NH1 ARG A 84 14.699 12.796 -2.083 1.00 0.00 N ATOM 1343 NH2 ARG A 84 16.927 12.277 -1.911 1.00 0.00 N ATOM 0 H ARG A 84 11.263 8.294 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 84 13.574 10.074 -7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.380 10.570 -5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.587 8.904 -5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.028 9.171 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.883 10.803 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.588 11.450 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.780 9.823 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 84 16.348 10.373 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.770 12.595 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.842 13.603 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.716 11.676 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.066 13.085 -1.304 1.00 0.00 H new ATOM 1357 N ILE A 85 13.394 6.864 -7.137 1.00 0.00 N ATOM 1358 CA ILE A 85 14.118 5.601 -7.237 1.00 0.00 C ATOM 1359 C ILE A 85 13.671 4.810 -8.468 1.00 0.00 C ATOM 1360 O ILE A 85 12.698 4.057 -8.407 1.00 0.00 O ATOM 1361 CB ILE A 85 13.919 4.729 -5.979 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.277 5.513 -4.713 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.760 3.463 -6.072 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.141 6.358 -4.179 1.00 0.00 C ATOM 0 H ILE A 85 12.413 6.768 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 85 15.175 5.850 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 85 12.868 4.447 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.592 4.813 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.130 6.158 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.608 2.859 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.461 2.891 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.813 3.731 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.469 6.884 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.840 7.083 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.294 5.717 -3.934 1.00 0.00 H new ATOM 1376 N PRO A 86 14.373 4.973 -9.608 1.00 0.00 N ATOM 1377 CA PRO A 86 14.034 4.267 -10.849 1.00 0.00 C ATOM 1378 C PRO A 86 14.371 2.783 -10.786 1.00 0.00 C ATOM 1379 O PRO A 86 14.053 2.022 -11.702 1.00 0.00 O ATOM 1380 CB PRO A 86 14.896 4.967 -11.900 1.00 0.00 C ATOM 1381 CG PRO A 86 16.066 5.485 -11.139 1.00 0.00 C ATOM 1382 CD PRO A 86 15.546 5.855 -9.778 1.00 0.00 C ATOM 0 HA PRO A 86 12.965 4.304 -11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.207 4.275 -12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.350 5.775 -12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.849 4.730 -11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.504 6.350 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.293 5.684 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.268 6.908 -9.727 1.00 0.00 H new ATOM 1390 N GLU A 87 15.015 2.378 -9.700 1.00 0.00 N ATOM 1391 CA GLU A 87 15.398 0.984 -9.508 1.00 0.00 C ATOM 1392 C GLU A 87 14.569 0.347 -8.397 1.00 0.00 C ATOM 1393 O GLU A 87 14.904 -0.725 -7.893 1.00 0.00 O ATOM 1394 CB GLU A 87 16.887 0.882 -9.171 1.00 0.00 C ATOM 1395 CG GLU A 87 17.795 1.422 -10.265 1.00 0.00 C ATOM 1396 CD GLU A 87 19.265 1.228 -9.951 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.857 2.120 -9.307 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.826 0.185 -10.349 1.00 0.00 O ATOM 0 H GLU A 87 15.284 2.997 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 87 15.208 0.447 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.080 1.427 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.138 -0.162 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.560 0.925 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.595 2.484 -10.407 1.00 0.00 H new ATOM 1405 N PHE A 88 13.483 1.016 -8.025 1.00 0.00 N ATOM 1406 CA PHE A 88 12.602 0.526 -6.973 1.00 0.00 C ATOM 1407 C PHE A 88 11.737 -0.626 -7.475 1.00 0.00 C ATOM 1408 O PHE A 88 11.336 -0.655 -8.639 1.00 0.00 O ATOM 1409 CB PHE A 88 11.710 1.661 -6.465 1.00 0.00 C ATOM 1410 CG PHE A 88 10.847 1.277 -5.296 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.317 1.412 -4.000 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.566 0.785 -5.494 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.525 1.064 -2.923 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.771 0.434 -4.421 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.252 0.574 -3.134 1.00 0.00 C ATOM 0 H PHE A 88 13.192 1.902 -8.438 1.00 0.00 H new ATOM 0 HA PHE A 88 13.222 0.159 -6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.339 2.504 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.071 2.001 -7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.313 1.793 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.186 0.675 -6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.902 1.175 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.775 0.051 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.632 0.300 -2.293 1.00 0.00 H new ATOM 1425 N ASN A 89 11.454 -1.574 -6.586 1.00 0.00 N ATOM 1426 CA ASN A 89 10.627 -2.724 -6.930 1.00 0.00 C ATOM 1427 C ASN A 89 9.539 -2.922 -5.879 1.00 0.00 C ATOM 1428 O ASN A 89 9.807 -3.401 -4.778 1.00 0.00 O ATOM 1429 CB ASN A 89 11.482 -3.987 -7.052 1.00 0.00 C ATOM 1430 CG ASN A 89 10.696 -5.165 -7.597 1.00 0.00 C ATOM 1431 OD1 ASN A 89 9.726 -4.990 -8.334 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.116 -6.373 -7.241 1.00 0.00 N ATOM 0 H ASN A 89 11.786 -1.567 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 89 10.156 -2.534 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.331 -3.786 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.887 -4.245 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.630 -7.203 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.925 -6.471 -6.628 1.00 0.00 H new ATOM 1439 N MET A 90 8.314 -2.546 -6.230 1.00 0.00 N ATOM 1440 CA MET A 90 7.178 -2.662 -5.322 1.00 0.00 C ATOM 1441 C MET A 90 6.983 -4.102 -4.851 1.00 0.00 C ATOM 1442 O MET A 90 6.543 -4.342 -3.727 1.00 0.00 O ATOM 1443 CB MET A 90 5.905 -2.164 -6.011 1.00 0.00 C ATOM 1444 CG MET A 90 4.724 -1.991 -5.069 1.00 0.00 C ATOM 1445 SD MET A 90 4.970 -0.654 -3.885 1.00 0.00 S ATOM 1446 CE MET A 90 3.342 -0.550 -3.145 1.00 0.00 C ATOM 0 H MET A 90 8.081 -2.156 -7.143 1.00 0.00 H new ATOM 0 HA MET A 90 7.385 -2.046 -4.447 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.115 -1.210 -6.495 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.630 -2.867 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.825 -1.793 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.555 -2.923 -4.529 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.335 0.236 -2.390 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.606 -0.319 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.093 -1.503 -2.679 1.00 0.00 H new ATOM 1456 N ALA A 91 7.316 -5.057 -5.715 1.00 0.00 N ATOM 1457 CA ALA A 91 7.162 -6.471 -5.387 1.00 0.00 C ATOM 1458 C ALA A 91 8.151 -6.909 -4.311 1.00 0.00 C ATOM 1459 O ALA A 91 7.753 -7.398 -3.253 1.00 0.00 O ATOM 1460 CB ALA A 91 7.332 -7.322 -6.637 1.00 0.00 C ATOM 0 H ALA A 91 7.693 -4.878 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 91 6.157 -6.613 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.215 -8.375 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.578 -7.043 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.325 -7.159 -7.056 1.00 0.00 H new ATOM 1466 N ALA A 92 9.439 -6.731 -4.584 1.00 0.00 N ATOM 1467 CA ALA A 92 10.481 -7.115 -3.638 1.00 0.00 C ATOM 1468 C ALA A 92 10.419 -6.270 -2.372 1.00 0.00 C ATOM 1469 O ALA A 92 10.862 -6.700 -1.306 1.00 0.00 O ATOM 1470 CB ALA A 92 11.852 -6.998 -4.285 1.00 0.00 C ATOM 0 H ALA A 92 9.787 -6.324 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 92 10.311 -8.154 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.619 -7.288 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.902 -7.654 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.019 -5.968 -4.599 1.00 0.00 H new ATOM 1476 N PHE A 93 9.870 -5.067 -2.492 1.00 0.00 N ATOM 1477 CA PHE A 93 9.757 -4.161 -1.355 1.00 0.00 C ATOM 1478 C PHE A 93 8.808 -4.722 -0.301 1.00 0.00 C ATOM 1479 O PHE A 93 9.161 -4.811 0.874 1.00 0.00 O ATOM 1480 CB PHE A 93 9.275 -2.783 -1.813 1.00 0.00 C ATOM 1481 CG PHE A 93 9.215 -1.767 -0.707 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.378 -1.233 -0.177 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.997 -1.346 -0.200 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.328 -0.297 0.838 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.940 -0.409 0.816 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.107 0.116 1.335 1.00 0.00 C ATOM 0 H PHE A 93 9.496 -4.696 -3.365 1.00 0.00 H new ATOM 0 HA PHE A 93 10.746 -4.059 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.940 -2.417 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.285 -2.883 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.335 -1.552 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.081 -1.754 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.242 0.111 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.984 -0.088 1.203 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.065 0.848 2.128 1.00 0.00 H new ATOM 1496 N THR A 94 7.606 -5.097 -0.727 1.00 0.00 N ATOM 1497 CA THR A 94 6.609 -5.647 0.185 1.00 0.00 C ATOM 1498 C THR A 94 7.089 -6.953 0.810 1.00 0.00 C ATOM 1499 O THR A 94 6.906 -7.181 2.007 1.00 0.00 O ATOM 1500 CB THR A 94 5.267 -5.896 -0.530 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.464 -6.756 -1.659 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.648 -4.585 -0.986 1.00 0.00 C ATOM 0 H THR A 94 7.299 -5.030 -1.697 1.00 0.00 H new ATOM 0 HA THR A 94 6.462 -4.906 0.971 1.00 0.00 H new ATOM 0 HB THR A 94 4.588 -6.375 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.402 -6.716 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.701 -4.785 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.472 -3.945 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.326 -4.083 -1.676 1.00 0.00 H new ATOM 1510 N THR A 95 7.700 -7.808 -0.005 1.00 0.00 N ATOM 1511 CA THR A 95 8.205 -9.089 0.474 1.00 0.00 C ATOM 1512 C THR A 95 9.179 -8.895 1.632 1.00 0.00 C ATOM 1513 O THR A 95 9.095 -9.581 2.651 1.00 0.00 O ATOM 1514 CB THR A 95 8.909 -9.875 -0.650 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.031 -10.019 -1.773 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.340 -11.251 -0.162 1.00 0.00 C ATOM 0 H THR A 95 7.857 -7.637 -0.998 1.00 0.00 H new ATOM 0 HA THR A 95 7.343 -9.660 0.818 1.00 0.00 H new ATOM 0 HB THR A 95 9.796 -9.317 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.965 -9.164 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.834 -11.786 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.031 -11.141 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.464 -11.813 0.163 1.00 0.00 H new ATOM 1524 N THR A 96 10.103 -7.955 1.465 1.00 0.00 N ATOM 1525 CA THR A 96 11.095 -7.662 2.492 1.00 0.00 C ATOM 1526 C THR A 96 10.483 -6.851 3.633 1.00 0.00 C ATOM 1527 O THR A 96 10.921 -6.945 4.780 1.00 0.00 O ATOM 1528 CB THR A 96 12.293 -6.888 1.904 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.830 -7.596 0.781 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.381 -6.692 2.949 1.00 0.00 C ATOM 0 H THR A 96 10.185 -7.382 0.625 1.00 0.00 H new ATOM 0 HA THR A 96 11.445 -8.618 2.882 1.00 0.00 H new ATOM 0 HB THR A 96 11.939 -5.908 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.286 -7.410 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.214 -6.144 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.980 -6.128 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.730 -7.664 3.297 1.00 0.00 H new ATOM 1538 N LEU A 97 9.466 -6.059 3.305 1.00 0.00 N ATOM 1539 CA LEU A 97 8.790 -5.222 4.291 1.00 0.00 C ATOM 1540 C LEU A 97 8.209 -6.061 5.425 1.00 0.00 C ATOM 1541 O LEU A 97 8.219 -5.643 6.584 1.00 0.00 O ATOM 1542 CB LEU A 97 7.675 -4.411 3.624 1.00 0.00 C ATOM 1543 CG LEU A 97 7.524 -2.969 4.118 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.430 -2.254 3.341 1.00 0.00 C ATOM 1545 CD2 LEU A 97 7.224 -2.936 5.609 1.00 0.00 C ATOM 0 H LEU A 97 9.091 -5.979 2.360 1.00 0.00 H new ATOM 0 HA LEU A 97 9.530 -4.541 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.856 -4.392 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.729 -4.931 3.778 1.00 0.00 H new ATOM 0 HG LEU A 97 8.468 -2.451 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.335 -1.231 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.685 -2.241 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.484 -2.777 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.121 -1.902 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.296 -3.473 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.040 -3.410 6.155 1.00 0.00 H new ATOM 1557 N GLN A 98 7.701 -7.243 5.085 1.00 0.00 N ATOM 1558 CA GLN A 98 7.107 -8.135 6.077 1.00 0.00 C ATOM 1559 C GLN A 98 8.043 -8.343 7.262 1.00 0.00 C ATOM 1560 O GLN A 98 7.604 -8.379 8.412 1.00 0.00 O ATOM 1561 CB GLN A 98 6.759 -9.484 5.444 1.00 0.00 C ATOM 1562 CG GLN A 98 5.778 -9.378 4.289 1.00 0.00 C ATOM 1563 CD GLN A 98 5.359 -10.733 3.752 1.00 0.00 C ATOM 1564 OE1 GLN A 98 6.123 -11.697 3.801 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.138 -10.812 3.235 1.00 0.00 N ATOM 0 H GLN A 98 7.689 -7.605 4.131 1.00 0.00 H new ATOM 0 HA GLN A 98 6.193 -7.666 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.675 -9.957 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.338 -10.137 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.893 -8.832 4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.230 -8.797 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.538 -9.987 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.800 -11.698 2.858 1.00 0.00 H new ATOM 1574 N HIS A 99 9.331 -8.481 6.975 1.00 0.00 N ATOM 1575 CA HIS A 99 10.325 -8.675 8.022 1.00 0.00 C ATOM 1576 C HIS A 99 10.689 -7.339 8.663 1.00 0.00 C ATOM 1577 O HIS A 99 10.829 -7.236 9.883 1.00 0.00 O ATOM 1578 CB HIS A 99 11.576 -9.343 7.448 1.00 0.00 C ATOM 1579 CG HIS A 99 11.309 -10.687 6.846 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.451 -11.867 7.545 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.904 -11.035 5.602 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.146 -12.883 6.758 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.810 -12.405 5.574 1.00 0.00 N ATOM 0 H HIS A 99 9.711 -8.462 6.029 1.00 0.00 H new ATOM 0 HA HIS A 99 9.900 -9.325 8.787 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.010 -8.693 6.689 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.318 -9.448 8.239 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.694 -10.361 4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.168 -13.926 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.526 -12.963 4.769 1.00 0.00 H new ATOM 1592 N HIS A 100 10.815 -6.310 7.829 1.00 0.00 N ATOM 1593 CA HIS A 100 11.162 -4.977 8.308 1.00 0.00 C ATOM 1594 C HIS A 100 10.009 -4.365 9.091 1.00 0.00 C ATOM 1595 O HIS A 100 10.124 -3.260 9.621 1.00 0.00 O ATOM 1596 CB HIS A 100 11.543 -4.069 7.138 1.00 0.00 C ATOM 1597 CG HIS A 100 12.975 -4.200 6.721 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.904 -3.195 6.898 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.638 -5.222 6.131 1.00 0.00 C ATOM 1600 CE1 HIS A 100 15.075 -3.594 6.434 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.941 -4.820 5.965 1.00 0.00 N ATOM 0 H HIS A 100 10.682 -6.374 6.820 1.00 0.00 H new ATOM 0 HA HIS A 100 12.020 -5.071 8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.903 -4.299 6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.347 -3.033 7.414 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.220 -6.176 5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.987 -3.015 6.438 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.685 -5.379 5.547 1.00 0.00 H new ATOM 1610 N LYS A 101 8.897 -5.090 9.160 1.00 0.00 N ATOM 1611 CA LYS A 101 7.725 -4.622 9.885 1.00 0.00 C ATOM 1612 C LYS A 101 8.039 -4.474 11.369 1.00 0.00 C ATOM 1613 O LYS A 101 7.362 -3.738 12.088 1.00 0.00 O ATOM 1614 CB LYS A 101 6.558 -5.591 9.685 1.00 0.00 C ATOM 1615 CG LYS A 101 5.266 -5.142 10.352 1.00 0.00 C ATOM 1616 CD LYS A 101 4.103 -6.054 9.995 1.00 0.00 C ATOM 1617 CE LYS A 101 4.309 -7.463 10.532 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.175 -8.362 10.183 1.00 0.00 N ATOM 0 H LYS A 101 8.785 -6.004 8.722 1.00 0.00 H new ATOM 0 HA LYS A 101 7.442 -3.645 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.380 -5.716 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.838 -6.568 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.400 -5.129 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.035 -4.121 10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.179 -5.641 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.988 -6.090 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.235 -7.873 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.422 -7.426 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.354 -9.312 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.295 -7.985 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.082 -8.419 9.149 1.00 0.00 H new ATOM 1632 N ASP A 102 9.075 -5.177 11.822 1.00 0.00 N ATOM 1633 CA ASP A 102 9.483 -5.119 13.221 1.00 0.00 C ATOM 1634 C ASP A 102 9.980 -3.722 13.586 1.00 0.00 C ATOM 1635 O ASP A 102 10.109 -3.387 14.764 1.00 0.00 O ATOM 1636 CB ASP A 102 10.571 -6.156 13.501 1.00 0.00 C ATOM 1637 CG ASP A 102 10.054 -7.577 13.389 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.002 -8.103 12.258 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.699 -8.164 14.434 1.00 0.00 O ATOM 0 H ASP A 102 9.645 -5.792 11.241 1.00 0.00 H new ATOM 0 HA ASP A 102 8.613 -5.345 13.838 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.394 -6.015 12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.974 -5.996 14.501 1.00 0.00 H new ATOM 1644 N GLU A 103 10.254 -2.911 12.568 1.00 0.00 N ATOM 1645 CA GLU A 103 10.728 -1.548 12.777 1.00 0.00 C ATOM 1646 C GLU A 103 9.718 -0.542 12.236 1.00 0.00 C ATOM 1647 O GLU A 103 9.375 0.432 12.906 1.00 0.00 O ATOM 1648 CB GLU A 103 12.084 -1.345 12.096 1.00 0.00 C ATOM 1649 CG GLU A 103 12.688 0.030 12.335 1.00 0.00 C ATOM 1650 CD GLU A 103 12.958 0.302 13.802 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.066 -0.032 14.272 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.064 0.850 14.479 1.00 0.00 O ATOM 0 H GLU A 103 10.155 -3.176 11.588 1.00 0.00 H new ATOM 0 HA GLU A 103 10.844 -1.386 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.778 -2.105 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.969 -1.500 11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.620 0.115 11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.012 0.792 11.946 1.00 0.00 H new ATOM 1659 N VAL A 104 9.246 -0.786 11.017 1.00 0.00 N ATOM 1660 CA VAL A 104 8.271 0.091 10.381 1.00 0.00 C ATOM 1661 C VAL A 104 6.913 -0.026 11.063 1.00 0.00 C ATOM 1662 O VAL A 104 6.546 -1.095 11.553 1.00 0.00 O ATOM 1663 CB VAL A 104 8.114 -0.239 8.882 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.048 0.638 8.239 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.444 -0.084 8.161 1.00 0.00 C ATOM 0 H VAL A 104 9.525 -1.586 10.449 1.00 0.00 H new ATOM 0 HA VAL A 104 8.641 1.111 10.481 1.00 0.00 H new ATOM 0 HB VAL A 104 7.792 -1.277 8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.957 0.385 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.092 0.472 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.331 1.686 8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.315 -0.321 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.795 0.943 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.176 -0.763 8.598 1.00 0.00 H new ATOM 1675 N ALA A 105 6.171 1.077 11.095 1.00 0.00 N ATOM 1676 CA ALA A 105 4.852 1.093 11.716 1.00 0.00 C ATOM 1677 C ALA A 105 3.955 0.019 11.112 1.00 0.00 C ATOM 1678 O ALA A 105 3.497 0.141 9.975 1.00 0.00 O ATOM 1679 CB ALA A 105 4.212 2.464 11.566 1.00 0.00 C ATOM 0 H ALA A 105 6.461 1.971 10.698 1.00 0.00 H new ATOM 0 HA ALA A 105 4.973 0.878 12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.228 2.459 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.840 3.213 12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.109 2.703 10.508 1.00 0.00 H new ATOM 1685 N GLY A 106 3.713 -1.036 11.884 1.00 0.00 N ATOM 1686 CA GLY A 106 2.874 -2.123 11.417 1.00 0.00 C ATOM 1687 C GLY A 106 1.439 -1.691 11.192 1.00 0.00 C ATOM 1688 O GLY A 106 0.751 -2.235 10.330 1.00 0.00 O ATOM 0 H GLY A 106 4.084 -1.157 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.281 -2.519 10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.896 -2.934 12.145 1.00 0.00 H new ATOM 1692 N ASP A 107 0.989 -0.715 11.971 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.376 -0.213 11.862 1.00 0.00 C ATOM 1694 C ASP A 107 -0.628 0.424 10.497 1.00 0.00 C ATOM 1695 O ASP A 107 -1.706 0.265 9.923 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.658 0.801 12.971 1.00 0.00 C ATOM 1697 CG ASP A 107 0.267 2.002 12.908 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.382 1.921 13.464 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -0.125 3.021 12.304 1.00 0.00 O ATOM 0 H ASP A 107 1.551 -0.254 12.687 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.052 -1.061 11.970 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.692 1.138 12.896 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.551 0.314 13.940 1.00 0.00 H new ATOM 1704 N ILE A 108 0.365 1.142 9.979 1.00 0.00 N ATOM 1705 CA ILE A 108 0.229 1.798 8.684 1.00 0.00 C ATOM 1706 C ILE A 108 0.267 0.785 7.547 1.00 0.00 C ATOM 1707 O ILE A 108 -0.618 0.767 6.684 1.00 0.00 O ATOM 1708 CB ILE A 108 1.346 2.841 8.459 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.252 3.955 9.506 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.263 3.416 7.050 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.428 4.909 9.481 1.00 0.00 C ATOM 0 H ILE A 108 1.267 1.283 10.434 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.737 2.303 8.688 1.00 0.00 H new ATOM 0 HB ILE A 108 2.311 2.347 8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.333 4.519 9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.179 3.506 10.497 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.057 4.149 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.377 2.613 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.295 3.898 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.294 5.671 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.348 4.357 9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.489 5.386 8.503 1.00 0.00 H new ATOM 1723 N PHE A 109 1.281 -0.075 7.555 1.00 0.00 N ATOM 1724 CA PHE A 109 1.414 -1.080 6.514 1.00 0.00 C ATOM 1725 C PHE A 109 0.238 -2.043 6.549 1.00 0.00 C ATOM 1726 O PHE A 109 -0.155 -2.574 5.521 1.00 0.00 O ATOM 1727 CB PHE A 109 2.735 -1.851 6.636 1.00 0.00 C ATOM 1728 CG PHE A 109 2.919 -2.887 5.554 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.610 -2.592 4.232 1.00 0.00 C ATOM 1730 CD2 PHE A 109 3.390 -4.154 5.856 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.765 -3.538 3.235 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.550 -5.106 4.864 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.237 -4.797 3.553 1.00 0.00 C ATOM 0 H PHE A 109 2.014 -0.094 8.264 1.00 0.00 H new ATOM 0 HA PHE A 109 1.419 -0.560 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.565 -1.145 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.775 -2.340 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.243 -1.608 3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.635 -4.402 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.518 -3.294 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.919 -6.090 5.114 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.361 -5.539 2.778 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.323 -2.257 7.736 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.460 -3.161 7.893 1.00 0.00 C ATOM 1745 C ASP A 110 -2.642 -2.716 7.032 1.00 0.00 C ATOM 1746 O ASP A 110 -3.367 -3.546 6.484 1.00 0.00 O ATOM 1747 CB ASP A 110 -1.887 -3.233 9.361 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.008 -4.227 9.591 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.185 -3.841 9.438 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -2.708 -5.393 9.926 1.00 0.00 O ATOM 0 H ASP A 110 -0.010 -1.818 8.602 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.146 -4.151 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.028 -3.510 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.208 -2.245 9.692 1.00 0.00 H new ATOM 1755 N MET A 111 -2.834 -1.403 6.921 1.00 0.00 N ATOM 1756 CA MET A 111 -3.932 -0.859 6.125 1.00 0.00 C ATOM 1757 C MET A 111 -3.652 -1.014 4.632 1.00 0.00 C ATOM 1758 O MET A 111 -4.455 -1.583 3.890 1.00 0.00 O ATOM 1759 CB MET A 111 -4.135 0.620 6.464 1.00 0.00 C ATOM 1760 CG MET A 111 -5.150 1.323 5.578 1.00 0.00 C ATOM 1761 SD MET A 111 -5.033 3.119 5.684 1.00 0.00 S ATOM 1762 CE MET A 111 -3.364 3.380 5.085 1.00 0.00 C ATOM 0 H MET A 111 -2.247 -0.700 7.370 1.00 0.00 H new ATOM 0 HA MET A 111 -4.838 -1.415 6.364 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.455 0.704 7.503 1.00 0.00 H new ATOM 0 HB3 MET A 111 -3.178 1.136 6.383 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.001 1.013 4.544 1.00 0.00 H new ATOM 0 HG3 MET A 111 -6.155 1.010 5.863 1.00 0.00 H new ATOM 0 HE1 MET A 111 -3.345 4.250 4.429 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.696 3.548 5.930 1.00 0.00 H new ATOM 0 HE3 MET A 111 -3.035 2.501 4.531 1.00 0.00 H new ATOM 1772 N LEU A 112 -2.499 -0.520 4.207 1.00 0.00 N ATOM 1773 CA LEU A 112 -2.092 -0.597 2.809 1.00 0.00 C ATOM 1774 C LEU A 112 -1.803 -2.041 2.418 1.00 0.00 C ATOM 1775 O LEU A 112 -1.797 -2.395 1.239 1.00 0.00 O ATOM 1776 CB LEU A 112 -0.905 0.327 2.556 1.00 0.00 C ATOM 1777 CG LEU A 112 0.460 -0.218 2.936 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.119 -0.839 1.721 1.00 0.00 C ATOM 1779 CD2 LEU A 112 1.324 0.893 3.512 1.00 0.00 C ATOM 0 H LEU A 112 -1.823 -0.058 4.815 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.908 -0.254 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.889 0.583 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.069 1.254 3.105 1.00 0.00 H new ATOM 0 HG LEU A 112 0.342 -0.988 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.098 -1.229 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.498 -1.652 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.236 -0.083 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.301 0.492 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.448 1.680 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.844 1.304 4.400 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.562 -2.861 3.433 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.284 -4.289 3.252 1.00 0.00 C ATOM 1793 C LEU A 113 -2.327 -4.936 2.346 1.00 0.00 C ATOM 1794 O LEU A 113 -2.072 -5.980 1.741 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.262 -5.014 4.603 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.047 -6.527 4.530 1.00 0.00 C ATOM 1797 CD1 LEU A 113 0.307 -6.847 3.913 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.164 -7.146 5.914 1.00 0.00 C ATOM 0 H LEU A 113 -1.553 -2.559 4.407 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.304 -4.377 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.472 -4.581 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.205 -4.822 5.115 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.821 -6.955 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.441 -7.928 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.354 -6.435 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.097 -6.408 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.009 -8.223 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.411 -6.712 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.157 -6.948 6.319 1.00 0.00 H new ATOM 1810 N THR A 114 -3.517 -4.334 2.296 1.00 0.00 N ATOM 1811 CA THR A 114 -4.609 -4.840 1.463 1.00 0.00 C ATOM 1812 C THR A 114 -4.155 -5.146 0.030 1.00 0.00 C ATOM 1813 O THR A 114 -4.932 -5.663 -0.773 1.00 0.00 O ATOM 1814 CB THR A 114 -5.776 -3.838 1.410 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.303 -2.554 0.987 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.447 -3.715 2.770 1.00 0.00 C ATOM 0 H THR A 114 -3.749 -3.493 2.824 1.00 0.00 H new ATOM 0 HA THR A 114 -4.940 -5.769 1.928 1.00 0.00 H new ATOM 0 HB THR A 114 -6.509 -4.208 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.962 -2.060 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.268 -3.001 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.834 -4.688 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.720 -3.368 3.504 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.901 -4.826 -0.288 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.356 -5.090 -1.614 1.00 0.00 C ATOM 1826 C PHE A 115 -2.340 -6.589 -1.899 1.00 0.00 C ATOM 1827 O PHE A 115 -2.423 -7.012 -3.052 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.925 -4.553 -1.721 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.830 -3.066 -1.916 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.652 -2.418 -2.825 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.099 -2.317 -1.204 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.554 -1.055 -3.020 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.197 -0.952 -1.397 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.629 -0.322 -2.306 1.00 0.00 C ATOM 0 H PHE A 115 -2.246 -4.384 0.356 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.992 -4.587 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.380 -4.824 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.426 -5.048 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.378 -2.987 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.750 -2.806 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.201 -0.563 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 115 0.920 -0.378 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.551 0.744 -2.458 1.00 0.00 H new ATOM 1844 N THR A 116 -2.235 -7.384 -0.840 1.00 0.00 N ATOM 1845 CA THR A 116 -2.200 -8.834 -0.975 1.00 0.00 C ATOM 1846 C THR A 116 -3.242 -9.504 -0.084 1.00 0.00 C ATOM 1847 O THR A 116 -3.732 -10.588 -0.397 1.00 0.00 O ATOM 1848 CB THR A 116 -0.809 -9.394 -0.624 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.442 -8.997 0.704 1.00 0.00 O ATOM 1850 CG2 THR A 116 0.237 -8.900 -1.613 1.00 0.00 C ATOM 0 H THR A 116 -2.173 -7.048 0.121 1.00 0.00 H new ATOM 0 HA THR A 116 -2.426 -9.056 -2.018 1.00 0.00 H new ATOM 0 HB THR A 116 -0.854 -10.482 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.443 -9.358 0.921 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.212 -9.308 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.030 -9.226 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.279 -7.811 -1.584 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.578 -8.853 1.027 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.562 -9.400 1.957 1.00 0.00 C ATOM 1860 C ASP A 117 -5.980 -8.994 1.564 1.00 0.00 C ATOM 1861 O ASP A 117 -6.534 -8.030 2.097 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.259 -8.942 3.386 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.027 -9.615 3.958 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.907 -9.272 3.524 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.181 -10.488 4.839 1.00 0.00 O ATOM 0 H ASP A 117 -3.187 -7.953 1.304 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.496 -10.487 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.117 -7.861 3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.117 -9.157 4.023 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.562 -9.738 0.626 1.00 0.00 N ATOM 1871 CA PHE A 118 -7.917 -9.464 0.158 1.00 0.00 C ATOM 1872 C PHE A 118 -8.920 -9.583 1.302 1.00 0.00 C ATOM 1873 O PHE A 118 -9.971 -8.941 1.286 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.293 -10.427 -0.974 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.691 -10.235 -1.494 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -9.974 -9.235 -2.410 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -10.722 -11.057 -1.065 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.259 -9.057 -2.889 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.008 -10.884 -1.540 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.277 -9.882 -2.453 1.00 0.00 C ATOM 0 H PHE A 118 -6.115 -10.536 0.175 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.947 -8.443 -0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.589 -10.299 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.185 -11.452 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.182 -8.587 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.518 -11.841 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.466 -8.274 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.802 -11.531 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.282 -9.744 -2.825 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.587 -10.406 2.291 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.456 -10.604 3.446 1.00 0.00 C ATOM 1892 C LEU A 119 -9.606 -9.306 4.232 1.00 0.00 C ATOM 1893 O LEU A 119 -10.695 -8.977 4.705 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.901 -11.707 4.355 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.060 -13.140 3.832 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.529 -13.475 3.613 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.270 -13.338 2.548 1.00 0.00 C ATOM 0 H LEU A 119 -7.722 -10.946 2.316 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.438 -10.910 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.841 -11.516 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.394 -11.636 5.324 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.662 -13.820 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.618 -14.496 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.068 -13.383 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.955 -12.786 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.398 -14.362 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.631 -12.645 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.213 -13.149 2.738 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.506 -8.568 4.362 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.516 -7.304 5.085 1.00 0.00 C ATOM 1911 C ALA A 120 -9.166 -6.213 4.245 1.00 0.00 C ATOM 1912 O ALA A 120 -9.723 -5.253 4.774 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.101 -6.906 5.478 1.00 0.00 C ATOM 0 H ALA A 120 -7.598 -8.826 3.975 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.103 -7.431 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.126 -5.959 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.671 -7.677 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.491 -6.797 4.581 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.088 -6.377 2.930 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.666 -5.422 1.994 1.00 0.00 C ATOM 1921 C PHE A 121 -11.186 -5.378 2.146 1.00 0.00 C ATOM 1922 O PHE A 121 -11.774 -4.314 2.368 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.286 -5.819 0.564 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.466 -4.730 -0.454 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.926 -3.470 -0.250 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.165 -4.973 -1.625 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.082 -2.474 -1.195 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.326 -3.981 -2.573 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.783 -2.729 -2.358 1.00 0.00 C ATOM 0 H PHE A 121 -8.626 -7.170 2.485 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.274 -4.428 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.244 -6.139 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.887 -6.679 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.377 -3.264 0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.590 -5.951 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.656 -1.496 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.875 -4.184 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.906 -1.951 -3.097 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.813 -6.546 2.040 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.262 -6.655 2.162 1.00 0.00 C ATOM 1941 C LYS A 122 -13.727 -6.207 3.544 1.00 0.00 C ATOM 1942 O LYS A 122 -14.616 -5.365 3.667 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.706 -8.097 1.901 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.210 -8.304 1.990 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.583 -9.761 1.766 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.084 -9.977 1.871 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.833 -9.194 0.850 1.00 0.00 N ATOM 0 H LYS A 122 -11.338 -7.432 1.869 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.717 -6.001 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.366 -8.398 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.216 -8.754 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.566 -7.982 2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.709 -7.681 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.237 -10.079 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.073 -10.385 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.307 -11.037 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.423 -9.691 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.816 -9.530 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.822 -8.187 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.384 -9.317 -0.080 1.00 0.00 H new ATOM 1961 N GLU A 123 -13.116 -6.774 4.581 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.468 -6.437 5.954 1.00 0.00 C ATOM 1963 C GLU A 123 -13.289 -4.946 6.218 1.00 0.00 C ATOM 1964 O GLU A 123 -13.991 -4.365 7.046 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.616 -7.245 6.928 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.923 -8.732 6.917 1.00 0.00 C ATOM 1967 CD GLU A 123 -14.320 -9.043 7.419 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.496 -9.167 8.650 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -15.240 -9.161 6.581 1.00 0.00 O ATOM 0 H GLU A 123 -12.375 -7.469 4.495 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.519 -6.685 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.564 -7.098 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -12.767 -6.859 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.812 -9.115 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.194 -9.254 7.536 1.00 0.00 H new ATOM 1976 N MET A 124 -12.345 -4.331 5.511 1.00 0.00 N ATOM 1977 CA MET A 124 -12.078 -2.907 5.675 1.00 0.00 C ATOM 1978 C MET A 124 -13.285 -2.076 5.258 1.00 0.00 C ATOM 1979 O MET A 124 -13.707 -1.171 5.980 1.00 0.00 O ATOM 1980 CB MET A 124 -10.851 -2.494 4.858 1.00 0.00 C ATOM 1981 CG MET A 124 -10.536 -1.009 4.941 1.00 0.00 C ATOM 1982 SD MET A 124 -9.044 -0.564 4.030 1.00 0.00 S ATOM 1983 CE MET A 124 -9.480 -1.099 2.377 1.00 0.00 C ATOM 0 H MET A 124 -11.754 -4.795 4.821 1.00 0.00 H new ATOM 0 HA MET A 124 -11.879 -2.722 6.730 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.987 -3.060 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.012 -2.765 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.379 -0.440 4.550 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.417 -0.724 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.821 -0.619 1.654 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.371 -2.181 2.304 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.513 -0.823 2.166 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.841 -2.384 4.089 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.003 -1.657 3.587 1.00 0.00 C ATOM 1995 C PHE A 125 -16.228 -1.903 4.463 1.00 0.00 C ATOM 1996 O PHE A 125 -16.984 -0.978 4.760 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.308 -2.060 2.145 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.246 -1.642 1.170 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.960 -0.302 0.967 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.537 -2.591 0.454 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.985 0.084 0.068 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.563 -2.212 -0.444 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.284 -0.873 -0.639 1.00 0.00 C ATOM 0 H PHE A 125 -13.508 -3.127 3.475 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.765 -0.594 3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.429 -3.142 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.259 -1.619 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.506 0.450 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.749 -3.640 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.771 1.132 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.017 -2.963 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.520 -0.576 -1.342 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.421 -3.155 4.873 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.558 -3.519 5.713 1.00 0.00 C ATOM 2015 C LEU A 126 -17.531 -2.755 7.032 1.00 0.00 C ATOM 2016 O LEU A 126 -18.577 -2.412 7.583 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.558 -5.026 5.982 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.592 -5.910 4.733 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.520 -7.379 5.118 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.845 -5.634 3.915 1.00 0.00 C ATOM 0 H LEU A 126 -15.805 -3.933 4.637 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.470 -3.251 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.669 -5.276 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.421 -5.268 6.603 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.723 -5.671 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.545 -7.993 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.593 -7.568 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.370 -7.631 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.851 -6.272 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.728 -5.843 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.856 -4.588 3.607 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.328 -2.492 7.531 1.00 0.00 N ATOM 2033 CA ASP A 127 -16.163 -1.768 8.786 1.00 0.00 C ATOM 2034 C ASP A 127 -16.556 -0.302 8.618 1.00 0.00 C ATOM 2035 O ASP A 127 -17.297 0.249 9.434 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.717 -1.870 9.271 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.508 -1.200 10.615 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.712 -1.869 11.650 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.141 -0.006 10.633 1.00 0.00 O ATOM 0 H ASP A 127 -15.453 -2.769 7.086 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.819 -2.220 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.435 -2.920 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -14.057 -1.413 8.534 1.00 0.00 H new ATOM 2044 N TYR A 128 -16.055 0.320 7.556 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.354 1.721 7.277 1.00 0.00 C ATOM 2046 C TYR A 128 -17.848 1.922 7.054 1.00 0.00 C ATOM 2047 O TYR A 128 -18.418 2.931 7.470 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.574 2.197 6.050 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.777 3.663 5.733 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.133 4.648 6.471 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.615 4.061 4.698 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.316 5.987 6.186 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.803 5.398 4.407 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.152 6.357 5.154 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.336 7.689 4.867 1.00 0.00 O ATOM 0 H TYR A 128 -15.440 -0.124 6.874 1.00 0.00 H new ATOM 0 HA TYR A 128 -16.051 2.311 8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.512 2.013 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.873 1.603 5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.478 4.362 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.127 3.313 4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.807 6.740 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.457 5.691 3.599 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.954 7.779 4.111 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.478 0.956 6.393 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.908 1.025 6.118 1.00 0.00 C ATOM 2067 C ARG A 129 -20.701 1.049 7.419 1.00 0.00 C ATOM 2068 O ARG A 129 -21.653 1.818 7.566 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.347 -0.166 5.264 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.830 -0.159 4.932 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.219 -1.366 4.095 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.652 -1.391 3.809 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.209 -2.186 2.903 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.458 -3.022 2.197 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.519 -2.146 2.699 1.00 0.00 N ATOM 0 H ARG A 129 -18.020 0.116 6.038 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.105 1.945 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.775 -0.168 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.105 -1.089 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.410 -0.152 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.079 0.755 4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.662 -1.353 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.938 -2.278 4.621 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.259 -0.762 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.450 -3.055 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.889 -3.631 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.100 -1.504 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.946 -2.757 2.003 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.301 0.202 8.362 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.968 0.124 9.656 1.00 0.00 C ATOM 2091 C ALA A 130 -20.812 1.428 10.428 1.00 0.00 C ATOM 2092 O ALA A 130 -21.681 1.803 11.215 1.00 0.00 O ATOM 2093 CB ALA A 130 -20.414 -1.040 10.463 1.00 0.00 C ATOM 0 H ALA A 130 -19.517 -0.441 8.254 1.00 0.00 H new ATOM 0 HA ALA A 130 -22.031 -0.042 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.920 -1.088 11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.579 -1.971 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -19.345 -0.897 10.621 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.697 2.115 10.196 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.424 3.382 10.866 1.00 0.00 C ATOM 2101 C GLU A 131 -20.496 4.414 10.530 1.00 0.00 C ATOM 2102 O GLU A 131 -20.802 5.291 11.337 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.044 3.907 10.465 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.627 5.163 11.213 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.265 5.669 10.783 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.250 5.127 11.268 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.213 6.606 9.959 1.00 0.00 O ATOM 0 H GLU A 131 -18.968 1.815 9.549 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.438 3.209 11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.303 3.127 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.041 4.114 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.370 5.944 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.613 4.957 12.283 1.00 0.00 H new