USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 68 ASN :FLIP amide:sc= -0.476 F(o=-1.3,f=-0.24) USER MOD Set 1.2: A 70 THR OG1 : rot 0:sc= 0.236 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -167:sc= 0.392 (180deg=-0.258) USER MOD Set 2.2: A 38 THR OG1 : rot -90:sc= -1.16! USER MOD Single : A 17 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-5!) USER MOD Single : A 19 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.645 K(o=-0.65,f=-1.6) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0881 USER MOD Single : A 44 MET CE :methyl -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0584 (180deg=-0.413) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 48 CYS SG : rot 71:sc= -4.23! USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0121 F(o=-0.69,f=-0.012) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 134:sc= -1.09 (180deg=-3.32!) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00435 F(o=-1.5,f=-0.0044) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 78 MET CE :methyl -110:sc= -2.24! (180deg=-2.97!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.502 11.560 9.153 1.00 0.00 N ATOM 243 CA HIS A 17 -6.117 10.488 8.289 1.00 0.00 C ATOM 244 C HIS A 17 -7.320 9.650 7.925 1.00 0.00 C ATOM 245 O HIS A 17 -8.412 9.856 8.441 1.00 0.00 O ATOM 246 CB HIS A 17 -5.063 9.617 8.984 1.00 0.00 C ATOM 247 CG HIS A 17 -5.604 8.779 10.094 1.00 0.00 C ATOM 248 ND1 HIS A 17 -6.009 9.287 11.295 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.846 7.463 10.147 1.00 0.00 C ATOM 250 CE1 HIS A 17 -6.483 8.323 12.040 1.00 0.00 C ATOM 251 NE2 HIS A 17 -6.403 7.194 11.368 1.00 0.00 N ATOM 0 HA HIS A 17 -5.693 10.905 7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.599 8.965 8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.277 10.261 9.379 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.951 10.268 11.569 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.639 6.744 9.368 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.875 8.434 13.040 1.00 0.00 H new ATOM 260 N ILE A 18 -7.116 8.702 7.052 1.00 0.00 N ATOM 261 CA ILE A 18 -8.167 7.794 6.649 1.00 0.00 C ATOM 262 C ILE A 18 -7.700 6.358 6.777 1.00 0.00 C ATOM 263 O ILE A 18 -6.519 6.090 7.006 1.00 0.00 O ATOM 264 CB ILE A 18 -8.643 8.040 5.203 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.465 7.966 4.220 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.363 9.380 5.094 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.872 8.067 2.762 1.00 0.00 C ATOM 0 H ILE A 18 -6.219 8.533 6.597 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.009 7.980 7.315 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.350 7.254 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.764 8.769 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.934 7.026 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.691 9.534 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.229 9.382 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.684 10.182 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.985 8.007 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.549 7.249 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.375 9.018 2.590 1.00 0.00 H new ATOM 279 N ASN A 19 -8.619 5.436 6.657 1.00 0.00 N ATOM 280 CA ASN A 19 -8.294 4.028 6.747 1.00 0.00 C ATOM 281 C ASN A 19 -8.140 3.464 5.355 1.00 0.00 C ATOM 282 O ASN A 19 -8.816 3.891 4.437 1.00 0.00 O ATOM 283 CB ASN A 19 -9.400 3.272 7.496 1.00 0.00 C ATOM 284 CG ASN A 19 -9.723 3.901 8.837 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.115 3.575 9.855 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.692 4.800 8.848 1.00 0.00 N ATOM 0 H ASN A 19 -9.607 5.632 6.495 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.360 3.910 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.300 3.249 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.091 2.238 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.960 5.251 9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.172 5.043 7.981 1.00 0.00 H new ATOM 293 N LEU A 20 -7.235 2.543 5.180 1.00 0.00 N ATOM 294 CA LEU A 20 -7.046 1.909 3.890 1.00 0.00 C ATOM 295 C LEU A 20 -6.965 0.412 4.037 1.00 0.00 C ATOM 296 O LEU A 20 -6.725 -0.113 5.128 1.00 0.00 O ATOM 297 CB LEU A 20 -5.799 2.440 3.168 1.00 0.00 C ATOM 298 CG LEU A 20 -6.038 3.536 2.114 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.126 3.119 1.137 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.385 4.857 2.767 1.00 0.00 C ATOM 0 H LEU A 20 -6.610 2.208 5.913 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.914 2.158 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.110 2.830 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.301 1.601 2.682 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.110 3.670 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.277 3.909 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.827 2.203 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.055 2.946 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.548 5.612 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.292 4.742 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.565 5.170 3.414 1.00 0.00 H new ATOM 312 N LYS A 21 -7.187 -0.281 2.947 1.00 0.00 N ATOM 313 CA LYS A 21 -7.138 -1.718 2.926 1.00 0.00 C ATOM 314 C LYS A 21 -6.393 -2.183 1.710 1.00 0.00 C ATOM 315 O LYS A 21 -6.418 -1.538 0.667 1.00 0.00 O ATOM 316 CB LYS A 21 -8.546 -2.288 2.905 1.00 0.00 C ATOM 317 CG LYS A 21 -9.342 -1.939 4.128 1.00 0.00 C ATOM 318 CD LYS A 21 -10.828 -2.177 3.935 1.00 0.00 C ATOM 319 CE LYS A 21 -11.169 -3.651 3.800 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.637 -3.863 3.712 1.00 0.00 N ATOM 0 H LYS A 21 -7.408 0.141 2.045 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.624 -2.066 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.068 -1.919 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.491 -3.373 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.988 -2.532 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.174 -0.892 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.373 -1.758 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.165 -1.647 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.687 -4.057 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.772 -4.198 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.836 -4.880 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.093 -3.497 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.011 -3.361 2.882 1.00 0.00 H new ATOM 334 N VAL A 22 -5.733 -3.295 1.828 1.00 0.00 N ATOM 335 CA VAL A 22 -4.993 -3.854 0.721 1.00 0.00 C ATOM 336 C VAL A 22 -5.364 -5.301 0.526 1.00 0.00 C ATOM 337 O VAL A 22 -5.152 -6.136 1.411 1.00 0.00 O ATOM 338 CB VAL A 22 -3.461 -3.739 0.909 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.742 -4.467 -0.200 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.027 -2.287 0.932 1.00 0.00 C ATOM 0 H VAL A 22 -5.688 -3.843 2.687 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.262 -3.273 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.203 -4.195 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.665 -4.378 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.024 -5.520 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.016 -4.030 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.947 -2.232 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.301 -1.810 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.521 -1.773 1.757 1.00 0.00 H new ATOM 350 N ALA A 23 -5.942 -5.600 -0.617 1.00 0.00 N ATOM 351 CA ALA A 23 -6.323 -6.942 -0.944 1.00 0.00 C ATOM 352 C ALA A 23 -5.173 -7.641 -1.612 1.00 0.00 C ATOM 353 O ALA A 23 -4.602 -7.145 -2.581 1.00 0.00 O ATOM 354 CB ALA A 23 -7.553 -6.957 -1.835 1.00 0.00 C ATOM 0 H ALA A 23 -6.158 -4.914 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.577 -7.470 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.821 -7.988 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.383 -6.475 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.340 -6.420 -2.759 1.00 0.00 H new ATOM 360 N GLY A 24 -4.833 -8.783 -1.109 1.00 0.00 N ATOM 361 CA GLY A 24 -3.748 -9.516 -1.650 1.00 0.00 C ATOM 362 C GLY A 24 -4.226 -10.507 -2.666 1.00 0.00 C ATOM 363 O GLY A 24 -5.383 -10.926 -2.635 1.00 0.00 O ATOM 0 H GLY A 24 -5.299 -9.227 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.035 -8.832 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.220 -10.035 -0.850 1.00 0.00 H new ATOM 367 N GLN A 25 -3.347 -10.907 -3.562 1.00 0.00 N ATOM 368 CA GLN A 25 -3.684 -11.888 -4.592 1.00 0.00 C ATOM 369 C GLN A 25 -4.014 -13.242 -3.967 1.00 0.00 C ATOM 370 O GLN A 25 -4.540 -14.140 -4.621 1.00 0.00 O ATOM 371 CB GLN A 25 -2.541 -12.002 -5.617 1.00 0.00 C ATOM 372 CG GLN A 25 -1.158 -12.213 -5.002 1.00 0.00 C ATOM 373 CD GLN A 25 -0.930 -13.627 -4.506 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.436 -14.588 -5.072 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.203 -13.753 -3.422 1.00 0.00 N ATOM 0 H GLN A 25 -2.385 -10.569 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.575 -11.547 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.756 -12.831 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.521 -11.096 -6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.397 -11.969 -5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.028 -11.519 -4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.201 -12.927 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.042 -14.677 -3.021 1.00 0.00 H new ATOM 384 N ASP A 26 -3.714 -13.366 -2.681 1.00 0.00 N ATOM 385 CA ASP A 26 -3.985 -14.577 -1.931 1.00 0.00 C ATOM 386 C ASP A 26 -5.467 -14.653 -1.569 1.00 0.00 C ATOM 387 O ASP A 26 -5.994 -15.725 -1.263 1.00 0.00 O ATOM 388 CB ASP A 26 -3.130 -14.605 -0.662 1.00 0.00 C ATOM 389 CG ASP A 26 -3.244 -15.913 0.090 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.578 -16.887 -0.308 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.997 -15.975 1.082 1.00 0.00 O ATOM 0 H ASP A 26 -3.276 -12.627 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.732 -15.439 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.087 -14.433 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.431 -13.787 -0.008 1.00 0.00 H new ATOM 396 N GLY A 27 -6.143 -13.507 -1.616 1.00 0.00 N ATOM 397 CA GLY A 27 -7.565 -13.462 -1.294 1.00 0.00 C ATOM 398 C GLY A 27 -7.853 -12.871 0.079 1.00 0.00 C ATOM 399 O GLY A 27 -8.981 -12.923 0.563 1.00 0.00 O ATOM 0 H GLY A 27 -5.734 -12.608 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.083 -12.874 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.973 -14.472 -1.340 1.00 0.00 H new ATOM 403 N SER A 28 -6.840 -12.310 0.711 1.00 0.00 N ATOM 404 CA SER A 28 -7.001 -11.725 2.026 1.00 0.00 C ATOM 405 C SER A 28 -6.806 -10.235 1.951 1.00 0.00 C ATOM 406 O SER A 28 -6.173 -9.729 1.029 1.00 0.00 O ATOM 407 CB SER A 28 -6.011 -12.341 3.018 1.00 0.00 C ATOM 408 OG SER A 28 -6.246 -11.884 4.345 1.00 0.00 O ATOM 0 H SER A 28 -5.895 -12.248 0.333 1.00 0.00 H new ATOM 0 HA SER A 28 -8.011 -11.934 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.093 -13.428 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.993 -12.089 2.721 1.00 0.00 H new ATOM 0 HG SER A 28 -5.598 -12.298 4.953 1.00 0.00 H new ATOM 414 N VAL A 29 -7.347 -9.527 2.903 1.00 0.00 N ATOM 415 CA VAL A 29 -7.231 -8.094 2.918 1.00 0.00 C ATOM 416 C VAL A 29 -6.814 -7.588 4.293 1.00 0.00 C ATOM 417 O VAL A 29 -7.309 -8.049 5.326 1.00 0.00 O ATOM 418 CB VAL A 29 -8.553 -7.409 2.478 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.646 -7.586 3.527 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.330 -5.938 2.184 1.00 0.00 C ATOM 0 H VAL A 29 -7.875 -9.920 3.682 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.454 -7.831 2.200 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.886 -7.896 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.558 -7.095 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.839 -8.648 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.322 -7.141 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.271 -5.481 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.960 -5.440 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.599 -5.834 1.382 1.00 0.00 H new ATOM 430 N VAL A 30 -5.872 -6.675 4.318 1.00 0.00 N ATOM 431 CA VAL A 30 -5.431 -6.079 5.558 1.00 0.00 C ATOM 432 C VAL A 30 -6.048 -4.691 5.727 1.00 0.00 C ATOM 433 O VAL A 30 -6.219 -3.953 4.752 1.00 0.00 O ATOM 434 CB VAL A 30 -3.882 -5.975 5.615 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.349 -5.033 4.544 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.416 -5.542 6.996 1.00 0.00 C ATOM 0 H VAL A 30 -5.393 -6.326 3.488 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.761 -6.724 6.373 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.478 -6.967 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.262 -4.983 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.635 -5.403 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.768 -4.038 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.328 -5.477 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.841 -4.567 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.745 -6.271 7.736 1.00 0.00 H new ATOM 446 N GLN A 31 -6.413 -4.349 6.950 1.00 0.00 N ATOM 447 CA GLN A 31 -6.973 -3.051 7.244 1.00 0.00 C ATOM 448 C GLN A 31 -5.998 -2.252 8.098 1.00 0.00 C ATOM 449 O GLN A 31 -5.469 -2.749 9.095 1.00 0.00 O ATOM 450 CB GLN A 31 -8.296 -3.220 7.951 1.00 0.00 C ATOM 451 CG GLN A 31 -9.168 -4.265 7.289 1.00 0.00 C ATOM 452 CD GLN A 31 -10.531 -4.355 7.888 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.767 -5.125 8.812 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.434 -3.571 7.377 1.00 0.00 N ATOM 0 H GLN A 31 -6.328 -4.963 7.760 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.144 -2.505 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.118 -3.502 8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.823 -2.266 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.259 -4.034 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.680 -5.237 7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.191 -2.946 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.385 -3.581 7.745 1.00 0.00 H new ATOM 463 N PHE A 32 -5.749 -1.031 7.697 1.00 0.00 N ATOM 464 CA PHE A 32 -4.772 -0.179 8.365 1.00 0.00 C ATOM 465 C PHE A 32 -5.129 1.292 8.224 1.00 0.00 C ATOM 466 O PHE A 32 -6.009 1.661 7.451 1.00 0.00 O ATOM 467 CB PHE A 32 -3.370 -0.436 7.803 1.00 0.00 C ATOM 468 CG PHE A 32 -3.290 -0.315 6.304 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.832 -1.297 5.488 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.695 0.783 5.712 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.780 -1.186 4.124 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.644 0.899 4.350 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.187 -0.084 3.551 1.00 0.00 C ATOM 0 H PHE A 32 -6.211 -0.591 6.901 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.784 -0.428 9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.672 0.269 8.254 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.048 -1.435 8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.302 -2.161 5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.266 1.557 6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.203 -1.960 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.177 1.763 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.147 0.010 2.476 1.00 0.00 H new ATOM 483 N LYS A 33 -4.454 2.138 8.983 1.00 0.00 N ATOM 484 CA LYS A 33 -4.721 3.564 8.949 1.00 0.00 C ATOM 485 C LYS A 33 -3.521 4.329 8.384 1.00 0.00 C ATOM 486 O LYS A 33 -2.374 4.042 8.722 1.00 0.00 O ATOM 487 CB LYS A 33 -5.068 4.067 10.355 1.00 0.00 C ATOM 488 CG LYS A 33 -6.105 3.205 11.060 1.00 0.00 C ATOM 489 CD LYS A 33 -6.704 3.899 12.284 1.00 0.00 C ATOM 490 CE LYS A 33 -5.663 4.167 13.360 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.265 4.778 14.576 1.00 0.00 N ATOM 0 H LYS A 33 -3.716 1.861 9.631 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.573 3.742 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.160 4.098 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.440 5.089 10.287 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.903 2.956 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.645 2.266 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.159 4.841 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.500 3.280 12.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.171 3.233 13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.894 4.830 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.522 4.945 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.713 5.682 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.981 4.135 14.970 1.00 0.00 H new ATOM 505 N ILE A 34 -3.785 5.295 7.508 1.00 0.00 N ATOM 506 CA ILE A 34 -2.724 6.096 6.901 1.00 0.00 C ATOM 507 C ILE A 34 -3.183 7.553 6.743 1.00 0.00 C ATOM 508 O ILE A 34 -4.368 7.828 6.531 1.00 0.00 O ATOM 509 CB ILE A 34 -2.288 5.512 5.523 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.137 6.328 4.920 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.466 5.456 4.566 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.565 5.742 3.646 1.00 0.00 C ATOM 0 H ILE A 34 -4.726 5.543 7.202 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.859 6.066 7.564 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.931 4.495 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.490 7.339 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.340 6.412 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.139 5.045 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.246 4.821 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.859 6.461 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.243 6.378 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.179 4.743 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.347 5.683 2.889 1.00 0.00 H new ATOM 524 N LYS A 35 -2.255 8.491 6.863 1.00 0.00 N ATOM 525 CA LYS A 35 -2.592 9.904 6.781 1.00 0.00 C ATOM 526 C LYS A 35 -2.624 10.377 5.357 1.00 0.00 C ATOM 527 O LYS A 35 -2.011 9.782 4.479 1.00 0.00 O ATOM 528 CB LYS A 35 -1.619 10.738 7.588 1.00 0.00 C ATOM 529 CG LYS A 35 -1.370 10.176 8.966 1.00 0.00 C ATOM 530 CD LYS A 35 -0.886 11.243 9.942 1.00 0.00 C ATOM 531 CE LYS A 35 0.498 11.768 9.571 1.00 0.00 C ATOM 532 NZ LYS A 35 1.531 10.698 9.614 1.00 0.00 N ATOM 0 H LYS A 35 -1.265 8.300 7.017 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.590 10.027 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.673 10.805 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.006 11.753 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.288 9.728 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.629 9.379 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.596 12.070 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.859 10.828 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.465 12.200 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.777 12.569 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.477 11.127 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.433 10.156 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.405 10.061 8.801 1.00 0.00 H new ATOM 546 N ARG A 36 -3.339 11.463 5.124 1.00 0.00 N ATOM 547 CA ARG A 36 -3.484 12.022 3.792 1.00 0.00 C ATOM 548 C ARG A 36 -2.135 12.480 3.250 1.00 0.00 C ATOM 549 O ARG A 36 -1.808 12.254 2.087 1.00 0.00 O ATOM 550 CB ARG A 36 -4.467 13.204 3.814 1.00 0.00 C ATOM 551 CG ARG A 36 -5.769 12.934 4.569 1.00 0.00 C ATOM 552 CD ARG A 36 -6.409 11.606 4.167 1.00 0.00 C ATOM 553 NE ARG A 36 -6.622 11.486 2.715 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.708 11.931 2.058 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.664 12.589 2.705 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.828 11.719 0.750 1.00 0.00 N ATOM 0 H ARG A 36 -3.834 11.981 5.850 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.877 11.244 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.972 14.063 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.708 13.479 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.570 12.929 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.471 13.745 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.775 10.786 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.366 11.500 4.679 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.892 11.032 2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.577 12.760 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.485 12.923 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.096 11.219 0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.652 12.057 0.252 1.00 0.00 H new ATOM 570 N HIS A 37 -1.346 13.103 4.110 1.00 0.00 N ATOM 571 CA HIS A 37 -0.032 13.612 3.724 1.00 0.00 C ATOM 572 C HIS A 37 1.048 12.554 3.909 1.00 0.00 C ATOM 573 O HIS A 37 2.232 12.821 3.749 1.00 0.00 O ATOM 574 CB HIS A 37 0.317 14.863 4.538 1.00 0.00 C ATOM 575 CG HIS A 37 -0.462 16.087 4.139 1.00 0.00 C ATOM 576 ND1 HIS A 37 0.073 17.102 3.381 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.739 16.457 4.400 1.00 0.00 C ATOM 578 CE1 HIS A 37 -0.834 18.040 3.195 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.943 17.673 3.802 1.00 0.00 N ATOM 0 H HIS A 37 -1.591 13.271 5.086 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.075 13.874 2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.139 14.659 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.382 15.070 4.429 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.463 15.897 4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.692 18.955 2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.812 18.207 3.824 1.00 0.00 H new ATOM 588 N THR A 38 0.637 11.354 4.234 1.00 0.00 N ATOM 589 CA THR A 38 1.560 10.275 4.451 1.00 0.00 C ATOM 590 C THR A 38 1.754 9.458 3.172 1.00 0.00 C ATOM 591 O THR A 38 0.784 9.070 2.525 1.00 0.00 O ATOM 592 CB THR A 38 1.099 9.372 5.620 1.00 0.00 C ATOM 593 OG1 THR A 38 1.300 10.062 6.858 1.00 0.00 O ATOM 594 CG2 THR A 38 1.870 8.061 5.639 1.00 0.00 C ATOM 0 H THR A 38 -0.344 11.101 4.355 1.00 0.00 H new ATOM 0 HA THR A 38 2.522 10.708 4.725 1.00 0.00 H new ATOM 0 HB THR A 38 0.042 9.144 5.484 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.196 9.862 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.524 7.448 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.705 7.528 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.934 8.266 5.757 1.00 0.00 H new ATOM 602 N PRO A 39 3.016 9.213 2.788 1.00 0.00 N ATOM 603 CA PRO A 39 3.342 8.456 1.576 1.00 0.00 C ATOM 604 C PRO A 39 2.907 6.997 1.660 1.00 0.00 C ATOM 605 O PRO A 39 2.850 6.402 2.748 1.00 0.00 O ATOM 606 CB PRO A 39 4.869 8.545 1.495 1.00 0.00 C ATOM 607 CG PRO A 39 5.310 8.831 2.886 1.00 0.00 C ATOM 608 CD PRO A 39 4.225 9.656 3.503 1.00 0.00 C ATOM 0 HA PRO A 39 2.827 8.858 0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.300 7.614 1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.183 9.333 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.463 7.907 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.259 9.368 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.146 9.479 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.404 10.723 3.368 1.00 0.00 H new ATOM 616 N LEU A 40 2.611 6.416 0.508 1.00 0.00 N ATOM 617 CA LEU A 40 2.202 5.023 0.418 1.00 0.00 C ATOM 618 C LEU A 40 3.343 4.084 0.803 1.00 0.00 C ATOM 619 O LEU A 40 3.127 2.903 1.024 1.00 0.00 O ATOM 620 CB LEU A 40 1.704 4.695 -0.996 1.00 0.00 C ATOM 621 CG LEU A 40 0.417 5.391 -1.432 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.180 5.194 -2.915 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.768 4.879 -0.649 1.00 0.00 C ATOM 0 H LEU A 40 2.647 6.897 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 40 1.385 4.873 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.491 4.952 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.552 3.618 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 40 0.530 6.456 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.742 5.697 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.015 5.613 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.096 4.129 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.671 5.391 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.878 3.807 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.612 5.068 0.413 1.00 0.00 H new ATOM 635 N SER A 41 4.561 4.618 0.887 1.00 0.00 N ATOM 636 CA SER A 41 5.743 3.838 1.260 1.00 0.00 C ATOM 637 C SER A 41 5.468 2.991 2.508 1.00 0.00 C ATOM 638 O SER A 41 5.805 1.798 2.562 1.00 0.00 O ATOM 639 CB SER A 41 6.913 4.785 1.531 1.00 0.00 C ATOM 640 OG SER A 41 7.079 5.702 0.464 1.00 0.00 O ATOM 0 H SER A 41 4.757 5.601 0.699 1.00 0.00 H new ATOM 0 HA SER A 41 5.991 3.168 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.738 5.329 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.828 4.209 1.666 1.00 0.00 H new ATOM 0 HG SER A 41 7.831 6.299 0.660 1.00 0.00 H new ATOM 672 N LEU A 43 2.446 2.268 3.590 1.00 0.00 N ATOM 673 CA LEU A 43 1.319 1.411 3.233 1.00 0.00 C ATOM 674 C LEU A 43 1.805 0.114 2.604 1.00 0.00 C ATOM 675 O LEU A 43 1.415 -0.980 3.029 1.00 0.00 O ATOM 676 CB LEU A 43 0.350 2.167 2.285 1.00 0.00 C ATOM 677 CG LEU A 43 -0.744 1.327 1.588 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.938 2.193 1.242 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.207 0.707 0.311 1.00 0.00 C ATOM 0 HA LEU A 43 0.775 1.153 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.140 2.954 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.944 2.657 1.514 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.049 0.540 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.699 1.585 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.351 2.625 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.625 2.993 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.991 0.119 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.119 1.496 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.638 0.060 0.548 1.00 0.00 H new ATOM 691 N MET A 44 2.662 0.229 1.588 1.00 0.00 N ATOM 692 CA MET A 44 3.201 -0.944 0.921 1.00 0.00 C ATOM 693 C MET A 44 3.931 -1.825 1.904 1.00 0.00 C ATOM 694 O MET A 44 3.676 -3.023 1.989 1.00 0.00 O ATOM 695 CB MET A 44 4.140 -0.570 -0.236 1.00 0.00 C ATOM 696 CG MET A 44 3.433 -0.141 -1.514 1.00 0.00 C ATOM 697 SD MET A 44 2.911 1.568 -1.507 1.00 0.00 S ATOM 698 CE MET A 44 2.226 1.712 -3.147 1.00 0.00 C ATOM 0 H MET A 44 2.992 1.119 1.215 1.00 0.00 H new ATOM 0 HA MET A 44 2.355 -1.489 0.503 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.793 0.239 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.778 -1.425 -0.459 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.100 -0.304 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.561 -0.777 -1.668 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.969 2.753 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.960 1.374 -3.879 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.329 1.097 -3.222 1.00 0.00 H new ATOM 708 N LYS A 45 4.827 -1.229 2.676 1.00 0.00 N ATOM 709 CA LYS A 45 5.611 -1.977 3.642 1.00 0.00 C ATOM 710 C LYS A 45 4.720 -2.612 4.713 1.00 0.00 C ATOM 711 O LYS A 45 4.939 -3.743 5.111 1.00 0.00 O ATOM 712 CB LYS A 45 6.681 -1.083 4.284 1.00 0.00 C ATOM 713 CG LYS A 45 7.563 -1.799 5.306 1.00 0.00 C ATOM 714 CD LYS A 45 8.268 -3.014 4.714 1.00 0.00 C ATOM 715 CE LYS A 45 9.353 -2.610 3.725 1.00 0.00 C ATOM 716 NZ LYS A 45 10.415 -1.790 4.363 1.00 0.00 N ATOM 0 H LYS A 45 5.028 -0.229 2.651 1.00 0.00 H new ATOM 0 HA LYS A 45 6.113 -2.784 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.315 -0.672 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.190 -0.240 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.307 -1.102 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.952 -2.113 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.709 -3.605 5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.538 -3.650 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.799 -3.505 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.905 -2.048 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.269 -1.806 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.083 -0.810 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.637 -2.179 5.302 1.00 0.00 H new ATOM 730 N ALA A 46 3.682 -1.895 5.129 1.00 0.00 N ATOM 731 CA ALA A 46 2.785 -2.387 6.171 1.00 0.00 C ATOM 732 C ALA A 46 2.129 -3.687 5.739 1.00 0.00 C ATOM 733 O ALA A 46 2.148 -4.681 6.467 1.00 0.00 O ATOM 734 CB ALA A 46 1.729 -1.351 6.514 1.00 0.00 C ATOM 0 H ALA A 46 3.440 -0.974 4.763 1.00 0.00 H new ATOM 0 HA ALA A 46 3.379 -2.576 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.074 -1.743 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.213 -0.442 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.140 -1.124 5.625 1.00 0.00 H new ATOM 740 N TYR A 47 1.567 -3.697 4.536 1.00 0.00 N ATOM 741 CA TYR A 47 0.933 -4.889 4.010 1.00 0.00 C ATOM 742 C TYR A 47 1.951 -6.012 3.817 1.00 0.00 C ATOM 743 O TYR A 47 1.674 -7.185 4.115 1.00 0.00 O ATOM 744 CB TYR A 47 0.225 -4.588 2.682 1.00 0.00 C ATOM 745 CG TYR A 47 -0.080 -5.829 1.865 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.215 -6.585 2.111 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.782 -6.245 0.858 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.486 -7.722 1.378 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.517 -7.377 0.119 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.616 -8.114 0.381 1.00 0.00 C ATOM 751 OH TYR A 47 -0.877 -9.254 -0.347 1.00 0.00 O ATOM 0 H TYR A 47 1.540 -2.892 3.911 1.00 0.00 H new ATOM 0 HA TYR A 47 0.190 -5.217 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.706 -4.060 2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.848 -3.917 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.899 -6.279 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.674 -5.672 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.374 -8.302 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.195 -7.685 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.168 -9.388 -1.010 1.00 0.00 H new ATOM 761 N CYS A 48 3.131 -5.653 3.331 1.00 0.00 N ATOM 762 CA CYS A 48 4.179 -6.630 3.054 1.00 0.00 C ATOM 763 C CYS A 48 4.627 -7.325 4.330 1.00 0.00 C ATOM 764 O CYS A 48 4.944 -8.517 4.333 1.00 0.00 O ATOM 765 CB CYS A 48 5.359 -5.964 2.356 1.00 0.00 C ATOM 766 SG CYS A 48 4.945 -5.246 0.759 1.00 0.00 S ATOM 0 H CYS A 48 3.389 -4.689 3.119 1.00 0.00 H new ATOM 0 HA CYS A 48 3.769 -7.389 2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.758 -5.183 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.151 -6.700 2.219 1.00 0.00 H new ATOM 0 HG CYS A 48 4.213 -4.186 0.936 1.00 0.00 H new ATOM 772 N GLU A 49 4.632 -6.586 5.417 1.00 0.00 N ATOM 773 CA GLU A 49 5.006 -7.116 6.710 1.00 0.00 C ATOM 774 C GLU A 49 3.933 -8.052 7.240 1.00 0.00 C ATOM 775 O GLU A 49 4.226 -9.113 7.785 1.00 0.00 O ATOM 776 CB GLU A 49 5.216 -5.975 7.685 1.00 0.00 C ATOM 777 CG GLU A 49 6.367 -5.077 7.308 1.00 0.00 C ATOM 778 CD GLU A 49 7.704 -5.715 7.580 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.192 -5.612 8.715 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.274 -6.338 6.659 1.00 0.00 O ATOM 0 H GLU A 49 4.376 -5.599 5.430 1.00 0.00 H new ATOM 0 HA GLU A 49 5.932 -7.680 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.304 -5.381 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.393 -6.383 8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.296 -4.824 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.293 -4.143 7.864 1.00 0.00 H new ATOM 787 N ARG A 50 2.680 -7.657 7.066 1.00 0.00 N ATOM 788 CA ARG A 50 1.545 -8.440 7.555 1.00 0.00 C ATOM 789 C ARG A 50 1.428 -9.760 6.818 1.00 0.00 C ATOM 790 O ARG A 50 1.260 -10.815 7.421 1.00 0.00 O ATOM 791 CB ARG A 50 0.246 -7.662 7.382 1.00 0.00 C ATOM 792 CG ARG A 50 0.211 -6.314 8.085 1.00 0.00 C ATOM 793 CD ARG A 50 0.439 -6.436 9.584 1.00 0.00 C ATOM 794 NE ARG A 50 1.860 -6.495 9.938 1.00 0.00 N ATOM 795 CZ ARG A 50 2.435 -7.483 10.636 1.00 0.00 C ATOM 796 NH1 ARG A 50 1.732 -8.553 10.994 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.722 -7.400 10.959 1.00 0.00 N ATOM 0 H ARG A 50 2.419 -6.795 6.588 1.00 0.00 H new ATOM 0 HA ARG A 50 1.719 -8.638 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.072 -7.505 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.578 -8.271 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.973 -5.664 7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.753 -5.838 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.021 -5.586 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.060 -7.333 9.951 1.00 0.00 H new ATOM 0 HE ARG A 50 2.455 -5.726 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.748 -8.626 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.177 -9.301 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.268 -6.586 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.164 -8.150 11.490 1.00 0.00 H new ATOM 811 N GLN A 51 1.516 -9.697 5.510 1.00 0.00 N ATOM 812 CA GLN A 51 1.367 -10.884 4.678 1.00 0.00 C ATOM 813 C GLN A 51 2.653 -11.697 4.613 1.00 0.00 C ATOM 814 O GLN A 51 2.642 -12.863 4.219 1.00 0.00 O ATOM 815 CB GLN A 51 0.907 -10.504 3.270 1.00 0.00 C ATOM 816 CG GLN A 51 -0.540 -10.880 2.968 1.00 0.00 C ATOM 817 CD GLN A 51 -1.546 -10.247 3.921 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.237 -9.065 4.424 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.599 -10.819 4.197 1.00 0.00 N flip ATOM 0 H GLN A 51 1.690 -8.837 4.991 1.00 0.00 H new ATOM 0 HA GLN A 51 0.604 -11.509 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.028 -9.429 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.557 -10.990 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.779 -10.579 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.642 -11.964 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.806 -11.731 3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.266 -10.381 4.833 1.00 0.00 H new ATOM 828 N GLY A 52 3.762 -11.091 4.993 1.00 0.00 N ATOM 829 CA GLY A 52 5.018 -11.804 4.967 1.00 0.00 C ATOM 830 C GLY A 52 5.514 -12.006 3.554 1.00 0.00 C ATOM 831 O GLY A 52 5.713 -13.136 3.105 1.00 0.00 O ATOM 0 H GLY A 52 3.817 -10.125 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.763 -11.251 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.897 -12.772 5.453 1.00 0.00 H new ATOM 835 N LEU A 53 5.691 -10.917 2.839 1.00 0.00 N ATOM 836 CA LEU A 53 6.145 -10.970 1.470 1.00 0.00 C ATOM 837 C LEU A 53 6.987 -9.743 1.141 1.00 0.00 C ATOM 838 O LEU A 53 7.109 -8.828 1.956 1.00 0.00 O ATOM 839 CB LEU A 53 4.960 -11.156 0.490 1.00 0.00 C ATOM 840 CG LEU A 53 3.747 -10.238 0.683 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.067 -8.823 0.265 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.555 -10.768 -0.102 1.00 0.00 C ATOM 0 H LEU A 53 5.525 -9.974 3.190 1.00 0.00 H new ATOM 0 HA LEU A 53 6.784 -11.845 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.334 -11.015 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.619 -12.189 0.563 1.00 0.00 H new ATOM 0 HG LEU A 53 3.493 -10.227 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.190 -8.193 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.892 -8.443 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.351 -8.810 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.701 -10.107 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.806 -10.808 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.304 -11.769 0.249 1.00 0.00 H new ATOM 854 N SER A 54 7.573 -9.725 -0.034 1.00 0.00 N ATOM 855 CA SER A 54 8.416 -8.622 -0.455 1.00 0.00 C ATOM 856 C SER A 54 7.660 -7.645 -1.360 1.00 0.00 C ATOM 857 O SER A 54 6.978 -8.056 -2.300 1.00 0.00 O ATOM 858 CB SER A 54 9.635 -9.176 -1.180 1.00 0.00 C ATOM 859 OG SER A 54 10.445 -9.939 -0.299 1.00 0.00 O ATOM 0 H SER A 54 7.481 -10.470 -0.725 1.00 0.00 H new ATOM 0 HA SER A 54 8.728 -8.068 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.314 -9.798 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.218 -8.356 -1.598 1.00 0.00 H new ATOM 0 HG SER A 54 11.221 -10.286 -0.786 1.00 0.00 H new ATOM 865 N MET A 55 7.797 -6.340 -1.085 1.00 0.00 N ATOM 866 CA MET A 55 7.141 -5.307 -1.897 1.00 0.00 C ATOM 867 C MET A 55 7.690 -5.290 -3.319 1.00 0.00 C ATOM 868 O MET A 55 7.004 -4.896 -4.259 1.00 0.00 O ATOM 869 CB MET A 55 7.270 -3.908 -1.266 1.00 0.00 C ATOM 870 CG MET A 55 8.699 -3.451 -1.000 1.00 0.00 C ATOM 871 SD MET A 55 8.832 -1.661 -0.818 1.00 0.00 S ATOM 872 CE MET A 55 7.659 -1.369 0.500 1.00 0.00 C ATOM 0 H MET A 55 8.353 -5.977 -0.311 1.00 0.00 H new ATOM 0 HA MET A 55 6.082 -5.564 -1.932 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.789 -3.184 -1.923 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.720 -3.898 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.068 -3.933 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.340 -3.778 -1.819 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.101 -0.702 1.240 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.758 -0.911 0.091 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.401 -2.316 0.974 1.00 0.00 H new ATOM 882 N ARG A 56 8.929 -5.733 -3.481 1.00 0.00 N ATOM 883 CA ARG A 56 9.556 -5.782 -4.796 1.00 0.00 C ATOM 884 C ARG A 56 8.994 -6.939 -5.624 1.00 0.00 C ATOM 885 O ARG A 56 9.316 -7.097 -6.797 1.00 0.00 O ATOM 886 CB ARG A 56 11.075 -5.929 -4.664 1.00 0.00 C ATOM 887 CG ARG A 56 11.517 -7.251 -4.060 1.00 0.00 C ATOM 888 CD ARG A 56 13.025 -7.365 -4.012 1.00 0.00 C ATOM 889 NE ARG A 56 13.628 -6.410 -3.080 1.00 0.00 N ATOM 890 CZ ARG A 56 14.937 -6.131 -3.033 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.775 -6.696 -3.896 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.403 -5.280 -2.130 1.00 0.00 N ATOM 0 H ARG A 56 9.521 -6.064 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 56 9.334 -4.845 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.527 -5.822 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.457 -5.114 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.112 -7.345 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.108 -8.074 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.301 -8.378 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.431 -7.200 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 56 13.012 -5.927 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.422 -7.346 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.771 -6.480 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.764 -4.837 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.400 -5.068 -2.095 1.00 0.00 H new ATOM 906 N GLN A 57 8.163 -7.758 -5.002 1.00 0.00 N ATOM 907 CA GLN A 57 7.572 -8.907 -5.668 1.00 0.00 C ATOM 908 C GLN A 57 6.088 -8.691 -5.908 1.00 0.00 C ATOM 909 O GLN A 57 5.397 -9.577 -6.393 1.00 0.00 O ATOM 910 CB GLN A 57 7.771 -10.161 -4.819 1.00 0.00 C ATOM 911 CG GLN A 57 9.220 -10.458 -4.488 1.00 0.00 C ATOM 912 CD GLN A 57 10.037 -10.850 -5.701 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.591 -9.868 -6.375 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.154 -12.030 -6.034 1.00 0.00 N flip ATOM 0 H GLN A 57 7.880 -7.647 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 57 8.067 -9.033 -6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.212 -10.051 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.347 -11.015 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.668 -9.579 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.261 -11.263 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.707 -12.762 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.698 -12.275 -6.862 1.00 0.00 H new ATOM 923 N ILE A 58 5.596 -7.504 -5.592 1.00 0.00 N ATOM 924 CA ILE A 58 4.177 -7.219 -5.725 1.00 0.00 C ATOM 925 C ILE A 58 3.948 -5.847 -6.330 1.00 0.00 C ATOM 926 O ILE A 58 4.880 -5.062 -6.500 1.00 0.00 O ATOM 927 CB ILE A 58 3.441 -7.272 -4.363 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.142 -6.401 -3.337 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.311 -8.692 -3.856 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.376 -6.259 -2.047 1.00 0.00 C ATOM 0 H ILE A 58 6.155 -6.726 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 58 3.776 -7.992 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 58 2.435 -6.882 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.124 -6.824 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.307 -5.412 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.790 -8.690 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.746 -9.285 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.303 -9.125 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.935 -5.624 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.404 -5.808 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.234 -7.242 -1.598 1.00 0.00 H new ATOM 942 N ARG A 59 2.698 -5.565 -6.642 1.00 0.00 N ATOM 943 CA ARG A 59 2.290 -4.288 -7.178 1.00 0.00 C ATOM 944 C ARG A 59 0.948 -3.894 -6.622 1.00 0.00 C ATOM 945 O ARG A 59 0.110 -4.749 -6.327 1.00 0.00 O ATOM 946 CB ARG A 59 2.244 -4.300 -8.701 1.00 0.00 C ATOM 947 CG ARG A 59 3.610 -4.261 -9.353 1.00 0.00 C ATOM 948 CD ARG A 59 4.455 -3.129 -8.790 1.00 0.00 C ATOM 949 NE ARG A 59 5.705 -2.974 -9.516 1.00 0.00 N ATOM 950 CZ ARG A 59 6.918 -3.027 -8.960 1.00 0.00 C ATOM 951 NH1 ARG A 59 7.059 -3.240 -7.649 1.00 0.00 N ATOM 952 NH2 ARG A 59 7.990 -2.880 -9.716 1.00 0.00 N ATOM 0 H ARG A 59 1.930 -6.227 -6.528 1.00 0.00 H new ATOM 0 HA ARG A 59 3.036 -3.552 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.719 -5.196 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.663 -3.444 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.119 -5.212 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.499 -4.135 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.891 -2.197 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.667 -3.322 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 59 5.652 -2.813 -10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.235 -3.364 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.991 -3.278 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.889 -2.727 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.919 -2.920 -9.297 1.00 0.00 H new ATOM 966 N PHE A 60 0.748 -2.598 -6.464 1.00 0.00 N ATOM 967 CA PHE A 60 -0.480 -2.065 -5.914 1.00 0.00 C ATOM 968 C PHE A 60 -1.217 -1.263 -6.966 1.00 0.00 C ATOM 969 O PHE A 60 -0.639 -0.379 -7.610 1.00 0.00 O ATOM 970 CB PHE A 60 -0.185 -1.166 -4.699 1.00 0.00 C ATOM 971 CG PHE A 60 0.413 -1.880 -3.520 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.672 -2.451 -3.599 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.284 -1.967 -2.330 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.222 -3.099 -2.511 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.261 -2.614 -1.236 1.00 0.00 C ATOM 976 CZ PHE A 60 1.517 -3.181 -1.328 1.00 0.00 C ATOM 0 H PHE A 60 1.435 -1.887 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.101 -2.901 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.494 -0.372 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.113 -0.688 -4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.230 -2.389 -4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.266 -1.524 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.204 -3.542 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.294 -2.676 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.946 -3.687 -0.476 1.00 0.00 H new ATOM 986 N ARG A 61 -2.481 -1.569 -7.161 1.00 0.00 N ATOM 987 CA ARG A 61 -3.285 -0.842 -8.124 1.00 0.00 C ATOM 988 C ARG A 61 -4.601 -0.386 -7.520 1.00 0.00 C ATOM 989 O ARG A 61 -5.268 -1.126 -6.791 1.00 0.00 O ATOM 990 CB ARG A 61 -3.500 -1.666 -9.405 1.00 0.00 C ATOM 991 CG ARG A 61 -4.318 -2.928 -9.225 1.00 0.00 C ATOM 992 CD ARG A 61 -5.760 -2.764 -9.683 1.00 0.00 C ATOM 993 NE ARG A 61 -6.477 -4.044 -9.630 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.740 -4.233 -10.020 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.447 -3.232 -10.532 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.289 -5.434 -9.901 1.00 0.00 N ATOM 0 H ARG A 61 -2.975 -2.313 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.734 0.056 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.991 -1.036 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.526 -1.937 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.854 -3.740 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.306 -3.217 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.265 -2.034 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.780 -2.374 -10.700 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.971 -4.852 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.026 -2.308 -10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.411 -3.387 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.747 -6.206 -9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.253 -5.586 -10.197 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.963 0.843 -7.814 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.169 1.449 -7.306 1.00 0.00 C ATOM 1012 C PHE A 62 -6.838 2.245 -8.406 1.00 0.00 C ATOM 1013 O PHE A 62 -6.179 2.983 -9.121 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.834 2.375 -6.131 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.012 3.136 -5.594 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.863 2.561 -4.674 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.266 4.433 -6.019 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.946 3.260 -4.184 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.347 5.137 -5.532 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.188 4.549 -4.614 1.00 0.00 C ATOM 0 H PHE A 62 -4.419 1.456 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.845 0.666 -6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.402 1.781 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.071 3.085 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.679 1.553 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.609 4.896 -6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.605 2.799 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.533 6.146 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.037 5.096 -4.231 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.142 2.069 -8.561 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.926 2.812 -9.566 1.00 0.00 C ATOM 1032 C ASP A 63 -8.486 2.439 -10.966 1.00 0.00 C ATOM 1033 O ASP A 63 -8.649 3.209 -11.907 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.759 4.325 -9.385 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.985 5.109 -9.824 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.945 5.218 -9.029 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.993 5.636 -10.961 1.00 0.00 O ATOM 0 H ASP A 63 -8.693 1.415 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.973 2.545 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.552 4.540 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.894 4.662 -9.957 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.953 1.247 -11.126 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.471 0.846 -12.421 1.00 0.00 C ATOM 1044 C GLY A 64 -6.072 1.349 -12.721 1.00 0.00 C ATOM 1045 O GLY A 64 -5.489 1.011 -13.752 1.00 0.00 O ATOM 0 H GLY A 64 -7.845 0.552 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.480 -0.242 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.154 1.215 -13.186 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.518 2.159 -11.835 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.190 2.704 -12.046 1.00 0.00 C ATOM 1051 C GLN A 65 -3.237 2.293 -10.930 1.00 0.00 C ATOM 1052 O GLN A 65 -3.626 2.191 -9.771 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.248 4.230 -12.176 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.916 4.928 -11.008 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.021 6.417 -11.206 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.125 7.172 -10.833 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.111 6.849 -11.796 1.00 0.00 N ATOM 0 H GLN A 65 -5.966 2.452 -10.967 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.804 2.292 -12.979 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.233 4.613 -12.282 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.782 4.485 -13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.914 4.513 -10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.352 4.725 -10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.829 6.186 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.240 7.847 -11.961 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.982 2.027 -11.274 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.968 1.644 -10.302 1.00 0.00 C ATOM 1068 C PRO A 66 -0.486 2.840 -9.476 1.00 0.00 C ATOM 1069 O PRO A 66 -0.373 3.964 -9.980 1.00 0.00 O ATOM 1070 CB PRO A 66 0.165 1.104 -11.175 1.00 0.00 C ATOM 1071 CG PRO A 66 0.023 1.840 -12.464 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.449 2.077 -12.650 1.00 0.00 C ATOM 0 HA PRO A 66 -1.342 0.924 -9.574 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.139 1.285 -10.719 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.076 0.027 -11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.569 2.783 -12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.432 1.259 -13.291 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.644 3.040 -13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.902 1.314 -13.284 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.191 2.600 -8.214 1.00 0.00 N ATOM 1081 CA ILE A 67 0.272 3.659 -7.328 1.00 0.00 C ATOM 1082 C ILE A 67 1.616 3.312 -6.741 1.00 0.00 C ATOM 1083 O ILE A 67 1.841 2.203 -6.256 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.723 3.997 -6.174 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.141 2.739 -5.375 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.941 4.743 -6.710 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.253 1.928 -6.007 1.00 0.00 C ATOM 0 H ILE A 67 -0.262 1.682 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 67 0.348 4.549 -7.953 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.200 4.652 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.268 2.098 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.456 3.047 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.621 4.968 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.620 5.672 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.454 4.122 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.478 1.067 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.144 2.548 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.938 1.585 -6.992 1.00 0.00 H new ATOM 1099 N ASN A 68 2.524 4.247 -6.825 1.00 0.00 N ATOM 1100 CA ASN A 68 3.859 4.070 -6.293 1.00 0.00 C ATOM 1101 C ASN A 68 3.928 4.509 -4.851 1.00 0.00 C ATOM 1102 O ASN A 68 3.124 5.315 -4.401 1.00 0.00 O ATOM 1103 CB ASN A 68 4.880 4.838 -7.138 1.00 0.00 C ATOM 1104 CG ASN A 68 4.265 6.027 -7.848 1.00 0.00 C ATOM 1105 OD1 ASN A 68 4.229 7.155 -7.186 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 3.810 5.915 -8.987 1.00 0.00 N flip ATOM 0 H ASN A 68 2.365 5.154 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 68 4.102 3.008 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.693 5.181 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.317 4.165 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.858 5.017 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.386 6.720 -9.448 1.00 0.00 H new ATOM 1113 N GLU A 69 4.903 3.981 -4.126 1.00 0.00 N ATOM 1114 CA GLU A 69 5.090 4.286 -2.704 1.00 0.00 C ATOM 1115 C GLU A 69 5.268 5.787 -2.453 1.00 0.00 C ATOM 1116 O GLU A 69 4.935 6.296 -1.387 1.00 0.00 O ATOM 1117 CB GLU A 69 6.296 3.516 -2.160 1.00 0.00 C ATOM 1118 CG GLU A 69 7.492 3.523 -3.092 1.00 0.00 C ATOM 1119 CD GLU A 69 8.742 2.947 -2.459 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.314 3.599 -1.562 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.166 1.843 -2.857 1.00 0.00 O ATOM 0 H GLU A 69 5.590 3.328 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 69 4.187 3.974 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.590 3.947 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.001 2.484 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.250 2.952 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.691 4.546 -3.410 1.00 0.00 H new ATOM 1128 N THR A 70 5.761 6.494 -3.449 1.00 0.00 N ATOM 1129 CA THR A 70 6.014 7.915 -3.328 1.00 0.00 C ATOM 1130 C THR A 70 4.709 8.715 -3.360 1.00 0.00 C ATOM 1131 O THR A 70 4.666 9.881 -2.955 1.00 0.00 O ATOM 1132 CB THR A 70 6.937 8.390 -4.462 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.328 8.101 -5.724 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.273 7.674 -4.389 1.00 0.00 C ATOM 0 H THR A 70 5.997 6.102 -4.361 1.00 0.00 H new ATOM 0 HA THR A 70 6.501 8.086 -2.368 1.00 0.00 H new ATOM 0 HB THR A 70 7.096 9.463 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.461 7.669 -5.577 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.916 8.020 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.748 7.887 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.116 6.600 -4.485 1.00 0.00 H new ATOM 1142 N ASP A 71 3.641 8.085 -3.833 1.00 0.00 N ATOM 1143 CA ASP A 71 2.339 8.733 -3.928 1.00 0.00 C ATOM 1144 C ASP A 71 1.649 8.768 -2.577 1.00 0.00 C ATOM 1145 O ASP A 71 1.980 8.005 -1.674 1.00 0.00 O ATOM 1146 CB ASP A 71 1.449 8.018 -4.962 1.00 0.00 C ATOM 1147 CG ASP A 71 1.727 8.452 -6.385 1.00 0.00 C ATOM 1148 OD1 ASP A 71 2.452 9.452 -6.582 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.237 7.785 -7.322 1.00 0.00 O ATOM 0 H ASP A 71 3.652 7.119 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 71 2.500 9.759 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.600 6.942 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.402 8.211 -4.727 1.00 0.00 H new ATOM 1154 N THR A 72 0.712 9.678 -2.428 1.00 0.00 N ATOM 1155 CA THR A 72 -0.053 9.805 -1.193 1.00 0.00 C ATOM 1156 C THR A 72 -1.538 9.536 -1.450 1.00 0.00 C ATOM 1157 O THR A 72 -2.032 9.761 -2.558 1.00 0.00 O ATOM 1158 CB THR A 72 0.099 11.218 -0.595 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.107 12.206 -1.621 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.474 11.403 0.029 1.00 0.00 C ATOM 0 H THR A 72 0.455 10.350 -3.151 1.00 0.00 H new ATOM 0 HA THR A 72 0.337 9.070 -0.488 1.00 0.00 H new ATOM 0 HB THR A 72 -0.651 11.341 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.011 13.102 -1.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.553 12.408 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.614 10.671 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.241 11.263 -0.733 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.285 9.069 -0.424 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.723 8.799 -0.555 1.00 0.00 C ATOM 1170 C PRO A 73 -4.536 10.089 -0.754 1.00 0.00 C ATOM 1171 O PRO A 73 -5.748 10.058 -1.010 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.090 8.128 0.776 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.045 8.580 1.735 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.785 8.757 0.935 1.00 0.00 C ATOM 0 HA PRO A 73 -3.945 8.182 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.085 8.425 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.097 7.042 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.336 9.515 2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.902 7.846 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.167 9.563 1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.174 7.854 0.941 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.872 11.226 -0.628 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.507 12.518 -0.822 1.00 0.00 C ATOM 1184 C ALA A 74 -4.295 13.009 -2.240 1.00 0.00 C ATOM 1185 O ALA A 74 -5.066 13.811 -2.754 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.956 13.531 0.161 1.00 0.00 C ATOM 0 H ALA A 74 -2.882 11.279 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.577 12.401 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.442 14.494 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.147 13.191 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.882 13.638 0.010 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.251 12.502 -2.879 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.890 12.907 -4.230 1.00 0.00 C ATOM 1194 C GLN A 75 -4.002 12.553 -5.210 1.00 0.00 C ATOM 1195 O GLN A 75 -4.326 13.319 -6.114 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.597 12.215 -4.634 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.840 12.894 -5.752 1.00 0.00 C ATOM 1198 CD GLN A 75 0.362 12.090 -6.171 1.00 0.00 C ATOM 1199 OE1 GLN A 75 0.286 11.288 -7.092 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.469 12.275 -5.477 1.00 0.00 N ATOM 0 H GLN A 75 -2.631 11.799 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.747 13.987 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.948 12.150 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.827 11.194 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.501 13.035 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.522 13.885 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.487 12.955 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.307 11.738 -5.701 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.599 11.391 -5.010 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.679 10.927 -5.864 1.00 0.00 C ATOM 1211 C LEU A 76 -7.016 10.995 -5.134 1.00 0.00 C ATOM 1212 O LEU A 76 -8.057 10.625 -5.675 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.411 9.492 -6.418 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.732 8.452 -5.478 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.240 8.719 -5.325 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.406 8.410 -4.118 1.00 0.00 C ATOM 0 H LEU A 76 -4.352 10.747 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.725 11.597 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.366 9.076 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.790 9.590 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.851 7.476 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.803 7.972 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.758 8.664 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.090 9.712 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.907 7.674 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.342 9.392 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.453 8.134 -4.239 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.967 11.483 -3.889 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.149 11.627 -3.034 1.00 0.00 C ATOM 1230 C GLU A 77 -8.997 10.358 -2.984 1.00 0.00 C ATOM 1231 O GLU A 77 -10.155 10.338 -3.418 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.986 12.834 -3.443 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.297 14.160 -3.182 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.142 15.344 -3.571 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.116 15.647 -2.852 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.839 15.980 -4.601 1.00 0.00 O ATOM 0 H GLU A 77 -6.102 11.790 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.781 11.797 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.224 12.759 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.932 12.811 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.045 14.231 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.359 14.192 -3.736 1.00 0.00 H new ATOM 1243 N MET A 78 -8.410 9.290 -2.474 1.00 0.00 N ATOM 1244 CA MET A 78 -9.125 8.030 -2.328 1.00 0.00 C ATOM 1245 C MET A 78 -10.071 8.096 -1.142 1.00 0.00 C ATOM 1246 O MET A 78 -10.030 9.042 -0.345 1.00 0.00 O ATOM 1247 CB MET A 78 -8.155 6.854 -2.170 1.00 0.00 C ATOM 1248 CG MET A 78 -7.079 7.078 -1.126 1.00 0.00 C ATOM 1249 SD MET A 78 -6.054 5.619 -0.844 1.00 0.00 S ATOM 1250 CE MET A 78 -5.624 5.139 -2.515 1.00 0.00 C ATOM 0 H MET A 78 -7.442 9.268 -2.154 1.00 0.00 H new ATOM 0 HA MET A 78 -9.705 7.866 -3.236 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.722 5.961 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.679 6.657 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.444 7.906 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.547 7.373 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.136 4.211 -2.770 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.927 5.924 -3.208 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.547 4.990 -2.585 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.915 7.101 -1.014 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.900 7.072 0.048 1.00 0.00 C ATOM 1262 C GLU A 79 -11.340 6.433 1.296 1.00 0.00 C ATOM 1263 O GLU A 79 -10.308 5.760 1.265 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.134 6.301 -0.407 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.839 6.927 -1.591 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.490 8.240 -1.244 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.786 9.265 -1.192 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.717 8.255 -1.016 1.00 0.00 O ATOM 0 H GLU A 79 -10.942 6.293 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.173 8.101 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.841 5.284 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.834 6.229 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.122 7.082 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.595 6.238 -1.966 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.013 6.643 2.405 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.627 6.014 3.636 1.00 0.00 C ATOM 1277 C ASP A 80 -12.191 4.620 3.663 1.00 0.00 C ATOM 1278 O ASP A 80 -13.314 4.384 3.219 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.096 6.809 4.854 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.582 7.069 4.853 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.032 7.947 4.087 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.301 6.413 5.624 1.00 0.00 O ATOM 0 H ASP A 80 -12.832 7.247 2.474 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.539 5.978 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.829 6.266 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.566 7.761 4.885 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.387 3.691 4.136 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.728 2.276 4.202 1.00 0.00 C ATOM 1289 C GLU A 81 -11.718 1.666 2.807 1.00 0.00 C ATOM 1290 O GLU A 81 -12.210 0.556 2.589 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.075 2.031 4.885 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.141 2.533 6.312 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.298 1.930 7.074 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.506 0.695 6.974 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.991 2.674 7.790 1.00 0.00 O ATOM 0 H GLU A 81 -10.455 3.899 4.495 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.969 1.789 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.859 2.515 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.286 0.962 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.208 2.295 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.236 3.619 6.310 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.151 2.402 1.852 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.043 1.934 0.481 1.00 0.00 C ATOM 1304 C ASP A 82 -10.071 0.767 0.407 1.00 0.00 C ATOM 1305 O ASP A 82 -9.395 0.445 1.385 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.568 3.056 -0.437 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.233 3.005 -1.794 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.317 1.902 -2.379 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.679 4.062 -2.281 1.00 0.00 O ATOM 0 H ASP A 82 -10.759 3.330 2.010 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.029 1.607 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.775 4.018 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.487 2.988 -0.561 1.00 0.00 H new ATOM 1314 N THR A 83 -9.975 0.140 -0.739 1.00 0.00 N ATOM 1315 CA THR A 83 -9.116 -1.012 -0.880 1.00 0.00 C ATOM 1316 C THR A 83 -8.239 -0.904 -2.131 1.00 0.00 C ATOM 1317 O THR A 83 -8.607 -0.265 -3.116 1.00 0.00 O ATOM 1318 CB THR A 83 -9.945 -2.311 -0.932 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.053 -2.203 -0.025 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.098 -3.499 -0.516 1.00 0.00 C ATOM 0 H THR A 83 -10.478 0.405 -1.585 1.00 0.00 H new ATOM 0 HA THR A 83 -8.466 -1.042 -0.006 1.00 0.00 H new ATOM 0 HB THR A 83 -10.297 -2.457 -1.953 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.583 -3.027 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.699 -4.407 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.248 -3.594 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.737 -3.350 0.502 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.075 -1.525 -2.077 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.124 -1.523 -3.175 1.00 0.00 C ATOM 1330 C ILE A 84 -5.810 -2.965 -3.551 1.00 0.00 C ATOM 1331 O ILE A 84 -5.715 -3.828 -2.680 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.799 -0.772 -2.797 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.022 0.744 -2.712 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.684 -1.078 -3.781 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.732 1.197 -1.463 1.00 0.00 C ATOM 0 H ILE A 84 -6.759 -2.050 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.569 -0.995 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.498 -1.135 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.056 1.245 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.599 1.064 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.782 -0.541 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.484 -2.149 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.984 -0.764 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.849 2.281 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.714 0.727 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.148 0.911 -0.588 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.665 -3.237 -4.837 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.405 -4.596 -5.304 1.00 0.00 C ATOM 1349 C ASP A 85 -3.924 -4.862 -5.387 1.00 0.00 C ATOM 1350 O ASP A 85 -3.158 -4.053 -5.924 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.018 -4.797 -6.667 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.008 -6.235 -7.131 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.460 -7.120 -6.374 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.582 -6.484 -8.277 1.00 0.00 O ATOM 0 H ASP A 85 -5.722 -2.539 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.850 -5.289 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.047 -4.437 -6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.479 -4.187 -7.392 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.514 -5.981 -4.851 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.132 -6.388 -4.880 1.00 0.00 C ATOM 1361 C VAL A 86 -1.961 -7.657 -5.677 1.00 0.00 C ATOM 1362 O VAL A 86 -2.712 -8.621 -5.523 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.557 -6.567 -3.450 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.404 -7.564 -3.424 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.090 -5.238 -2.929 1.00 0.00 C ATOM 0 H VAL A 86 -4.132 -6.641 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.571 -5.591 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.350 -6.961 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.030 -7.661 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.754 -8.534 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.397 -7.211 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.686 -5.363 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.315 -4.842 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.930 -4.544 -2.899 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.966 -7.660 -6.520 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.672 -8.799 -7.361 1.00 0.00 C ATOM 1377 C PHE A 87 0.827 -8.982 -7.488 1.00 0.00 C ATOM 1378 O PHE A 87 1.591 -8.026 -7.352 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.325 -8.628 -8.746 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.117 -7.264 -9.359 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.839 -6.173 -8.902 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.208 -7.074 -10.384 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.659 -4.925 -9.446 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -0.026 -5.820 -10.939 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.752 -4.743 -10.468 1.00 0.00 C ATOM 0 H PHE A 87 -0.331 -6.872 -6.648 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.089 -9.694 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.924 -9.384 -9.421 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.395 -8.816 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.555 -6.306 -8.105 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.364 -7.912 -10.754 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.228 -4.086 -9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.684 -5.683 -11.741 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.610 -3.763 -10.899 1.00 0.00 H new ATOM 1395 N GLN A 88 1.258 -10.207 -7.731 1.00 0.00 N ATOM 1396 CA GLN A 88 2.669 -10.490 -7.886 1.00 0.00 C ATOM 1397 C GLN A 88 2.968 -10.779 -9.334 1.00 0.00 C ATOM 1398 O GLN A 88 2.581 -11.815 -9.863 1.00 0.00 O ATOM 1399 CB GLN A 88 3.063 -11.691 -7.040 1.00 0.00 C ATOM 1400 CG GLN A 88 2.887 -11.460 -5.567 1.00 0.00 C ATOM 1401 CD GLN A 88 3.386 -12.588 -4.715 1.00 0.00 C ATOM 1402 OE1 GLN A 88 3.347 -13.750 -5.109 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.875 -12.249 -3.541 1.00 0.00 N ATOM 0 H GLN A 88 0.649 -11.020 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 88 3.240 -9.622 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.464 -12.551 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.105 -11.942 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.410 -10.546 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.830 -11.299 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.886 -11.269 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.243 -12.966 -2.915 1.00 0.00 H new