USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 72 THR OG1 : rot 124:sc= 0.989 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= 0.707 F(o=-0.067,f=1.7) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.6!) USER MOD Set 3.1: A 48 CYS SG : rot 6:sc= -0.207 USER MOD Set 3.2: A 55 MET CE :methyl -134:sc= -0.92 (180deg=-2.08) USER MOD Set 4.1: A 28 SER OG : rot -166:sc= 1.2 USER MOD Set 4.2: A 51 GLN : amide:sc= 0.128 K(o=1.3,f=-2.1) USER MOD Set 5.1: A 25 GLN :FLIP amide:sc= -0.0094 F(o=-1.6,f=-1) USER MOD Set 5.2: A 88 GLN :FLIP amide:sc= -0.99 F(o=-2.8!,f=-1) USER MOD Set 6.1: A 21 LYS NZ :NH3+ -135:sc= 0.839 (180deg=-0.944) USER MOD Set 6.2: A 83 THR OG1 : rot -149:sc= 0.866 USER MOD Single : A 17 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0024) USER MOD Single : A 19 ASN : amide:sc= -0.229 K(o=-0.23,f=-6!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0974 F(o=-0.67,f=-0.097) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -0.119 (180deg=-0.58) USER MOD Single : A 37 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.45 USER MOD Single : A 41 SER OG : rot -123:sc= -0.202 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 168:sc= -1.21 (180deg=-1.71!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.993 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.67 F(o=-1.4!,f=-0.67) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0905 F(o=-0.74,f=-0.09) USER MOD Single : A 70 THR OG1 : rot -35:sc= 0.629 USER MOD Single : A 78 MET CE :methyl -140:sc= -0.438 (180deg=-2.89) USER MOD Single : A 89 GLN : amide:sc= 0.859 K(o=0.86,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -1.155 15.614 1.013 1.00 0.00 N ATOM 243 CA HIS A 17 -0.851 14.242 1.357 1.00 0.00 C ATOM 244 C HIS A 17 -2.135 13.500 1.683 1.00 0.00 C ATOM 245 O HIS A 17 -3.006 14.015 2.386 1.00 0.00 O ATOM 246 CB HIS A 17 0.188 14.136 2.510 1.00 0.00 C ATOM 247 CG HIS A 17 -0.346 14.364 3.903 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.182 15.543 4.594 1.00 0.00 N ATOM 249 CD2 HIS A 17 -1.013 13.534 4.742 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.724 15.428 5.793 1.00 0.00 C ATOM 251 NE2 HIS A 17 -1.235 14.217 5.907 1.00 0.00 N ATOM 0 HA HIS A 17 -0.384 13.771 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.642 13.146 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.983 14.858 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.314 12.519 4.530 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.745 16.196 6.552 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.716 13.850 6.728 1.00 0.00 H new ATOM 260 N ILE A 18 -2.259 12.297 1.176 1.00 0.00 N ATOM 261 CA ILE A 18 -3.464 11.513 1.358 1.00 0.00 C ATOM 262 C ILE A 18 -3.138 10.127 1.898 1.00 0.00 C ATOM 263 O ILE A 18 -1.976 9.709 1.923 1.00 0.00 O ATOM 264 CB ILE A 18 -4.270 11.381 0.035 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.401 10.767 -1.068 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.810 12.740 -0.407 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.164 10.437 -2.336 1.00 0.00 C ATOM 0 H ILE A 18 -1.534 11.833 0.628 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.080 12.043 2.084 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.116 10.718 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.595 11.459 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.936 9.857 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.371 12.625 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.466 13.140 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.979 13.427 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.482 10.007 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.953 9.720 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.606 11.347 -2.742 1.00 0.00 H new ATOM 279 N ASN A 19 -4.156 9.418 2.343 1.00 0.00 N ATOM 280 CA ASN A 19 -3.986 8.073 2.874 1.00 0.00 C ATOM 281 C ASN A 19 -4.525 7.064 1.888 1.00 0.00 C ATOM 282 O ASN A 19 -5.641 7.190 1.409 1.00 0.00 O ATOM 283 CB ASN A 19 -4.711 7.941 4.230 1.00 0.00 C ATOM 284 CG ASN A 19 -4.395 6.641 4.989 1.00 0.00 C ATOM 285 OD1 ASN A 19 -4.174 5.584 4.401 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.362 6.728 6.308 1.00 0.00 N ATOM 0 H ASN A 19 -5.120 9.752 2.349 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.924 7.882 3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.441 8.790 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.786 7.998 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.148 5.903 6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.550 7.620 6.765 1.00 0.00 H new ATOM 293 N LEU A 20 -3.726 6.082 1.551 1.00 0.00 N ATOM 294 CA LEU A 20 -4.155 5.041 0.646 1.00 0.00 C ATOM 295 C LEU A 20 -4.112 3.714 1.344 1.00 0.00 C ATOM 296 O LEU A 20 -3.148 3.393 2.038 1.00 0.00 O ATOM 297 CB LEU A 20 -3.302 4.992 -0.634 1.00 0.00 C ATOM 298 CG LEU A 20 -3.468 6.164 -1.611 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.937 6.477 -1.843 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.724 7.385 -1.120 1.00 0.00 C ATOM 0 H LEU A 20 -2.770 5.980 1.891 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.177 5.269 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.253 4.936 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.536 4.069 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.035 5.869 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.026 7.311 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.434 5.601 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.406 6.743 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.857 8.202 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.115 7.682 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.663 7.152 -1.029 1.00 0.00 H new ATOM 312 N LYS A 21 -5.155 2.945 1.189 1.00 0.00 N ATOM 313 CA LYS A 21 -5.232 1.658 1.813 1.00 0.00 C ATOM 314 C LYS A 21 -5.263 0.585 0.770 1.00 0.00 C ATOM 315 O LYS A 21 -5.771 0.783 -0.318 1.00 0.00 O ATOM 316 CB LYS A 21 -6.462 1.571 2.690 1.00 0.00 C ATOM 317 CG LYS A 21 -6.556 2.692 3.695 1.00 0.00 C ATOM 318 CD LYS A 21 -7.807 2.578 4.544 1.00 0.00 C ATOM 319 CE LYS A 21 -9.069 2.623 3.686 1.00 0.00 C ATOM 320 NZ LYS A 21 -9.572 1.269 3.325 1.00 0.00 N ATOM 0 H LYS A 21 -5.970 3.194 0.629 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.350 1.518 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.351 1.581 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.457 0.618 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.676 2.679 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.555 3.649 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.782 1.646 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.830 3.390 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.848 3.163 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.863 3.184 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.822 1.249 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.832 0.563 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.413 1.048 3.895 1.00 0.00 H new ATOM 334 N VAL A 22 -4.733 -0.545 1.095 1.00 0.00 N ATOM 335 CA VAL A 22 -4.660 -1.643 0.168 1.00 0.00 C ATOM 336 C VAL A 22 -5.298 -2.889 0.760 1.00 0.00 C ATOM 337 O VAL A 22 -4.989 -3.281 1.875 1.00 0.00 O ATOM 338 CB VAL A 22 -3.190 -1.922 -0.215 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.337 -2.038 1.012 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.073 -3.158 -1.068 1.00 0.00 C ATOM 0 H VAL A 22 -4.334 -0.743 2.013 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.211 -1.371 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.831 -1.078 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.305 -2.235 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.383 -1.107 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.701 -2.857 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.026 -3.328 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.457 -4.017 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.650 -3.025 -1.983 1.00 0.00 H new ATOM 350 N ALA A 23 -6.196 -3.502 0.014 1.00 0.00 N ATOM 351 CA ALA A 23 -6.881 -4.698 0.465 1.00 0.00 C ATOM 352 C ALA A 23 -6.418 -5.893 -0.346 1.00 0.00 C ATOM 353 O ALA A 23 -6.538 -5.914 -1.577 1.00 0.00 O ATOM 354 CB ALA A 23 -8.389 -4.531 0.344 1.00 0.00 C ATOM 0 H ALA A 23 -6.470 -3.188 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.639 -4.864 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.884 -5.439 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.712 -3.688 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.652 -4.346 -0.697 1.00 0.00 H new ATOM 360 N GLY A 24 -5.874 -6.877 0.324 1.00 0.00 N ATOM 361 CA GLY A 24 -5.382 -8.032 -0.354 1.00 0.00 C ATOM 362 C GLY A 24 -6.398 -9.129 -0.446 1.00 0.00 C ATOM 363 O GLY A 24 -7.326 -9.208 0.358 1.00 0.00 O ATOM 0 H GLY A 24 -5.764 -6.894 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.066 -7.751 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.499 -8.404 0.166 1.00 0.00 H new ATOM 367 N GLN A 25 -6.221 -9.986 -1.435 1.00 0.00 N ATOM 368 CA GLN A 25 -7.087 -11.143 -1.675 1.00 0.00 C ATOM 369 C GLN A 25 -7.214 -12.078 -0.455 1.00 0.00 C ATOM 370 O GLN A 25 -8.088 -12.943 -0.416 1.00 0.00 O ATOM 371 CB GLN A 25 -6.595 -11.927 -2.907 1.00 0.00 C ATOM 372 CG GLN A 25 -5.070 -11.911 -3.137 1.00 0.00 C ATOM 373 CD GLN A 25 -4.262 -12.536 -2.009 1.00 0.00 C ATOM 374 OE1 GLN A 25 -3.805 -11.716 -1.074 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -4.023 -13.735 -2.005 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.461 -9.903 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.086 -10.750 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.920 -12.963 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.083 -11.521 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.848 -12.440 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.745 -10.879 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.395 -14.332 -2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.452 -14.139 -1.262 1.00 0.00 H new ATOM 384 N ASP A 26 -6.353 -11.904 0.532 1.00 0.00 N ATOM 385 CA ASP A 26 -6.383 -12.728 1.733 1.00 0.00 C ATOM 386 C ASP A 26 -7.281 -12.101 2.796 1.00 0.00 C ATOM 387 O ASP A 26 -7.635 -12.738 3.784 1.00 0.00 O ATOM 388 CB ASP A 26 -4.967 -12.917 2.287 1.00 0.00 C ATOM 389 CG ASP A 26 -4.352 -11.621 2.774 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.216 -10.680 1.961 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.991 -11.540 3.966 1.00 0.00 O ATOM 0 H ASP A 26 -5.619 -11.196 0.527 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.790 -13.703 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.995 -13.632 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.332 -13.347 1.512 1.00 0.00 H new ATOM 396 N GLY A 27 -7.647 -10.844 2.595 1.00 0.00 N ATOM 397 CA GLY A 27 -8.507 -10.156 3.539 1.00 0.00 C ATOM 398 C GLY A 27 -7.744 -9.160 4.389 1.00 0.00 C ATOM 399 O GLY A 27 -8.287 -8.574 5.326 1.00 0.00 O ATOM 0 H GLY A 27 -7.363 -10.284 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.297 -9.637 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.991 -10.887 4.186 1.00 0.00 H new ATOM 403 N SER A 28 -6.487 -8.970 4.067 1.00 0.00 N ATOM 404 CA SER A 28 -5.644 -8.043 4.794 1.00 0.00 C ATOM 405 C SER A 28 -5.724 -6.655 4.175 1.00 0.00 C ATOM 406 O SER A 28 -6.052 -6.508 3.004 1.00 0.00 O ATOM 407 CB SER A 28 -4.203 -8.544 4.789 1.00 0.00 C ATOM 408 OG SER A 28 -3.341 -7.685 5.519 1.00 0.00 O ATOM 0 H SER A 28 -6.019 -9.449 3.298 1.00 0.00 H new ATOM 0 HA SER A 28 -5.994 -7.979 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.165 -9.545 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.850 -8.624 3.761 1.00 0.00 H new ATOM 0 HG SER A 28 -2.409 -7.907 5.315 1.00 0.00 H new ATOM 414 N VAL A 29 -5.443 -5.639 4.962 1.00 0.00 N ATOM 415 CA VAL A 29 -5.458 -4.276 4.484 1.00 0.00 C ATOM 416 C VAL A 29 -4.423 -3.437 5.218 1.00 0.00 C ATOM 417 O VAL A 29 -4.290 -3.517 6.434 1.00 0.00 O ATOM 418 CB VAL A 29 -6.874 -3.632 4.602 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.449 -3.824 5.986 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.847 -2.152 4.232 1.00 0.00 C ATOM 0 H VAL A 29 -5.199 -5.735 5.948 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.200 -4.301 3.425 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.522 -4.144 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.436 -3.364 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.533 -4.889 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.793 -3.357 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.850 -1.735 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.170 -1.622 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.502 -2.040 3.204 1.00 0.00 H new ATOM 430 N VAL A 30 -3.669 -2.644 4.472 1.00 0.00 N ATOM 431 CA VAL A 30 -2.644 -1.802 5.058 1.00 0.00 C ATOM 432 C VAL A 30 -2.910 -0.348 4.704 1.00 0.00 C ATOM 433 O VAL A 30 -3.327 -0.046 3.588 1.00 0.00 O ATOM 434 CB VAL A 30 -1.234 -2.185 4.574 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.180 -1.581 5.490 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.078 -3.695 4.487 1.00 0.00 C ATOM 0 H VAL A 30 -3.750 -2.568 3.458 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.683 -1.946 6.138 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.093 -1.780 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.813 -1.860 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.275 -0.495 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.322 -1.955 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.073 -3.938 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.241 -4.135 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.809 -4.096 3.785 1.00 0.00 H new ATOM 446 N GLN A 31 -2.716 0.553 5.658 1.00 0.00 N ATOM 447 CA GLN A 31 -2.947 1.975 5.417 1.00 0.00 C ATOM 448 C GLN A 31 -1.619 2.740 5.339 1.00 0.00 C ATOM 449 O GLN A 31 -0.674 2.444 6.081 1.00 0.00 O ATOM 450 CB GLN A 31 -3.826 2.584 6.518 1.00 0.00 C ATOM 451 CG GLN A 31 -5.146 1.856 6.794 1.00 0.00 C ATOM 452 CD GLN A 31 -5.018 0.709 7.793 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.905 -0.507 7.291 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.066 0.921 9.004 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.401 0.328 6.602 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.465 2.065 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.249 2.615 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.051 3.616 6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.875 2.574 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.539 1.466 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.154 1.876 9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.018 0.142 9.660 1.00 0.00 H new ATOM 463 N PHE A 32 -1.545 3.736 4.446 1.00 0.00 N ATOM 464 CA PHE A 32 -0.307 4.518 4.259 1.00 0.00 C ATOM 465 C PHE A 32 -0.605 5.995 4.041 1.00 0.00 C ATOM 466 O PHE A 32 -1.601 6.359 3.435 1.00 0.00 O ATOM 467 CB PHE A 32 0.477 4.032 3.040 1.00 0.00 C ATOM 468 CG PHE A 32 0.612 2.549 2.918 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.417 1.799 2.387 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.775 1.906 3.308 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.298 0.445 2.253 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.899 0.538 3.176 1.00 0.00 C ATOM 473 CZ PHE A 32 0.855 -0.192 2.645 1.00 0.00 C ATOM 0 H PHE A 32 -2.318 4.021 3.845 1.00 0.00 H new ATOM 0 HA PHE A 32 0.276 4.381 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.009 4.411 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.475 4.470 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.327 2.288 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.592 2.480 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.114 -0.128 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.807 0.042 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.944 -1.263 2.538 1.00 0.00 H new ATOM 509 N ILE A 34 0.878 9.113 2.144 1.00 0.00 N ATOM 510 CA ILE A 34 1.845 9.562 1.146 1.00 0.00 C ATOM 511 C ILE A 34 1.388 10.857 0.506 1.00 0.00 C ATOM 512 O ILE A 34 0.286 11.332 0.760 1.00 0.00 O ATOM 513 CB ILE A 34 2.082 8.509 0.023 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.801 8.281 -0.790 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.594 7.196 0.606 1.00 0.00 C ATOM 516 CD1 ILE A 34 0.988 7.356 -1.978 1.00 0.00 C ATOM 0 HA ILE A 34 2.784 9.711 1.678 1.00 0.00 H new ATOM 0 HB ILE A 34 2.846 8.900 -0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.035 7.866 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.431 9.243 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.751 6.478 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.536 7.371 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.861 6.799 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.040 7.243 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.730 7.779 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.328 6.381 -1.630 1.00 0.00 H new ATOM 528 N LYS A 35 2.230 11.434 -0.321 1.00 0.00 N ATOM 529 CA LYS A 35 1.885 12.651 -1.015 1.00 0.00 C ATOM 530 C LYS A 35 1.176 12.335 -2.315 1.00 0.00 C ATOM 531 O LYS A 35 1.425 11.306 -2.935 1.00 0.00 O ATOM 532 CB LYS A 35 3.128 13.492 -1.280 1.00 0.00 C ATOM 533 CG LYS A 35 3.617 14.265 -0.072 1.00 0.00 C ATOM 534 CD LYS A 35 4.925 14.979 -0.369 1.00 0.00 C ATOM 535 CE LYS A 35 6.116 14.040 -0.256 1.00 0.00 C ATOM 536 NZ LYS A 35 6.269 13.507 1.120 1.00 0.00 N ATOM 0 H LYS A 35 3.163 11.077 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 35 1.211 13.226 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.928 12.839 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.914 14.194 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.862 14.992 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.754 13.584 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.889 15.402 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.051 15.811 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.994 13.212 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.024 14.569 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.254 13.208 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.024 14.247 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.637 12.691 1.249 1.00 0.00 H new ATOM 550 N ARG A 36 0.301 13.230 -2.735 1.00 0.00 N ATOM 551 CA ARG A 36 -0.464 13.069 -3.967 1.00 0.00 C ATOM 552 C ARG A 36 0.456 13.026 -5.183 1.00 0.00 C ATOM 553 O ARG A 36 0.119 12.466 -6.223 1.00 0.00 O ATOM 554 CB ARG A 36 -1.430 14.230 -4.113 1.00 0.00 C ATOM 555 CG ARG A 36 -0.731 15.573 -4.112 1.00 0.00 C ATOM 556 CD ARG A 36 -1.633 16.661 -4.594 1.00 0.00 C ATOM 557 NE ARG A 36 -0.959 17.962 -4.589 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.580 19.141 -4.620 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.905 19.205 -4.678 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.868 20.262 -4.588 1.00 0.00 N ATOM 0 H ARG A 36 0.097 14.094 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.010 12.127 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.990 14.117 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.153 14.201 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.387 15.804 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.153 15.524 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.974 16.431 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.519 16.707 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 36 0.061 17.966 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.457 18.347 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.371 20.112 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.150 20.218 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.339 21.166 -4.612 1.00 0.00 H new ATOM 574 N HIS A 37 1.629 13.609 -5.046 1.00 0.00 N ATOM 575 CA HIS A 37 2.575 13.693 -6.138 1.00 0.00 C ATOM 576 C HIS A 37 3.682 12.658 -5.938 1.00 0.00 C ATOM 577 O HIS A 37 4.615 12.550 -6.722 1.00 0.00 O ATOM 578 CB HIS A 37 3.147 15.110 -6.189 1.00 0.00 C ATOM 579 CG HIS A 37 3.869 15.456 -7.457 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.276 16.139 -8.495 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.144 15.229 -7.843 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.153 16.315 -9.461 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.293 15.772 -9.089 1.00 0.00 N ATOM 0 H HIS A 37 1.952 14.036 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 37 2.080 13.480 -7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.332 15.820 -6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.832 15.240 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.904 14.715 -7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.969 16.819 -10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.150 15.758 -9.642 1.00 0.00 H new ATOM 592 N THR A 38 3.557 11.894 -4.881 1.00 0.00 N ATOM 593 CA THR A 38 4.507 10.864 -4.547 1.00 0.00 C ATOM 594 C THR A 38 4.060 9.528 -5.149 1.00 0.00 C ATOM 595 O THR A 38 2.876 9.215 -5.137 1.00 0.00 O ATOM 596 CB THR A 38 4.643 10.773 -3.006 1.00 0.00 C ATOM 597 OG1 THR A 38 5.678 11.660 -2.554 1.00 0.00 O ATOM 598 CG2 THR A 38 4.910 9.353 -2.519 1.00 0.00 C ATOM 0 H THR A 38 2.783 11.972 -4.221 1.00 0.00 H new ATOM 0 HA THR A 38 5.484 11.108 -4.965 1.00 0.00 H new ATOM 0 HB THR A 38 3.686 11.075 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.194 11.225 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.996 9.351 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.087 8.705 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.839 8.987 -2.957 1.00 0.00 H new ATOM 606 N PRO A 39 4.999 8.729 -5.694 1.00 0.00 N ATOM 607 CA PRO A 39 4.657 7.470 -6.345 1.00 0.00 C ATOM 608 C PRO A 39 4.112 6.441 -5.359 1.00 0.00 C ATOM 609 O PRO A 39 4.720 6.158 -4.321 1.00 0.00 O ATOM 610 CB PRO A 39 5.976 6.996 -6.959 1.00 0.00 C ATOM 611 CG PRO A 39 7.039 7.672 -6.166 1.00 0.00 C ATOM 612 CD PRO A 39 6.457 8.979 -5.696 1.00 0.00 C ATOM 0 HA PRO A 39 3.866 7.599 -7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.070 5.912 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.039 7.266 -8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.342 7.056 -5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.929 7.840 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.820 9.246 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.722 9.799 -6.363 1.00 0.00 H new ATOM 620 N LEU A 40 2.962 5.875 -5.692 1.00 0.00 N ATOM 621 CA LEU A 40 2.308 4.881 -4.846 1.00 0.00 C ATOM 622 C LEU A 40 3.113 3.582 -4.760 1.00 0.00 C ATOM 623 O LEU A 40 2.882 2.752 -3.882 1.00 0.00 O ATOM 624 CB LEU A 40 0.863 4.620 -5.309 1.00 0.00 C ATOM 625 CG LEU A 40 0.630 4.487 -6.822 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.343 3.269 -7.394 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.857 4.423 -7.119 1.00 0.00 C ATOM 0 H LEU A 40 2.456 6.088 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 40 2.265 5.294 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.514 3.705 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.237 5.432 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 40 1.050 5.369 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.155 3.208 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.415 3.359 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.970 2.367 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.010 4.329 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.292 3.561 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.339 5.333 -6.763 1.00 0.00 H new ATOM 639 N SER A 41 4.050 3.404 -5.691 1.00 0.00 N ATOM 640 CA SER A 41 4.900 2.224 -5.734 1.00 0.00 C ATOM 641 C SER A 41 5.577 1.964 -4.397 1.00 0.00 C ATOM 642 O SER A 41 5.848 0.815 -4.036 1.00 0.00 O ATOM 643 CB SER A 41 5.946 2.384 -6.828 1.00 0.00 C ATOM 644 OG SER A 41 6.293 3.749 -6.998 1.00 0.00 O ATOM 0 H SER A 41 4.238 4.076 -6.435 1.00 0.00 H new ATOM 0 HA SER A 41 4.267 1.364 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.835 1.807 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.562 1.982 -7.766 1.00 0.00 H new ATOM 0 HG SER A 41 6.140 4.012 -7.930 1.00 0.00 H new ATOM 650 N LYS A 42 5.832 3.030 -3.650 1.00 0.00 N ATOM 651 CA LYS A 42 6.472 2.918 -2.360 1.00 0.00 C ATOM 652 C LYS A 42 5.598 2.110 -1.399 1.00 0.00 C ATOM 653 O LYS A 42 6.081 1.228 -0.695 1.00 0.00 O ATOM 654 CB LYS A 42 6.771 4.303 -1.785 1.00 0.00 C ATOM 655 CG LYS A 42 7.489 5.224 -2.766 1.00 0.00 C ATOM 656 CD LYS A 42 8.061 6.453 -2.073 1.00 0.00 C ATOM 657 CE LYS A 42 9.302 6.094 -1.277 1.00 0.00 C ATOM 658 NZ LYS A 42 9.838 7.241 -0.506 1.00 0.00 N ATOM 0 H LYS A 42 5.601 3.985 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 42 7.418 2.392 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.835 4.770 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.381 4.192 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.293 4.676 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.795 5.537 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.306 7.213 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.311 6.885 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.066 5.279 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.071 5.727 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.684 6.941 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.090 8.011 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.116 7.577 0.163 1.00 0.00 H new ATOM 672 N LEU A 43 4.298 2.403 -1.387 1.00 0.00 N ATOM 673 CA LEU A 43 3.373 1.672 -0.527 1.00 0.00 C ATOM 674 C LEU A 43 3.133 0.278 -1.077 1.00 0.00 C ATOM 675 O LEU A 43 2.954 -0.673 -0.325 1.00 0.00 O ATOM 676 CB LEU A 43 2.032 2.437 -0.334 1.00 0.00 C ATOM 677 CG LEU A 43 0.989 2.354 -1.471 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.172 1.061 -1.393 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.063 3.548 -1.424 1.00 0.00 C ATOM 0 H LEU A 43 3.867 3.132 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 43 3.832 1.584 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.564 2.068 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.266 3.489 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 43 1.533 2.355 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.551 1.038 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.840 0.203 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.355 1.020 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.666 3.475 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.457 3.568 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.643 4.463 -1.541 1.00 0.00 H new ATOM 691 N MET A 44 3.137 0.150 -2.407 1.00 0.00 N ATOM 692 CA MET A 44 2.910 -1.142 -3.043 1.00 0.00 C ATOM 693 C MET A 44 3.995 -2.121 -2.651 1.00 0.00 C ATOM 694 O MET A 44 3.721 -3.248 -2.235 1.00 0.00 O ATOM 695 CB MET A 44 2.842 -1.019 -4.571 1.00 0.00 C ATOM 696 CG MET A 44 1.699 -0.156 -5.081 1.00 0.00 C ATOM 697 SD MET A 44 1.301 -0.480 -6.816 1.00 0.00 S ATOM 698 CE MET A 44 2.873 -0.170 -7.616 1.00 0.00 C ATOM 0 H MET A 44 3.294 0.921 -3.056 1.00 0.00 H new ATOM 0 HA MET A 44 1.947 -1.513 -2.694 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.783 -0.605 -4.932 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.747 -2.017 -5.000 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.814 -0.334 -4.470 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.962 0.895 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.836 -0.532 -8.643 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.076 0.901 -7.616 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.665 -0.690 -7.076 1.00 0.00 H new ATOM 708 N LYS A 45 5.239 -1.697 -2.770 1.00 0.00 N ATOM 709 CA LYS A 45 6.350 -2.537 -2.403 1.00 0.00 C ATOM 710 C LYS A 45 6.398 -2.752 -0.908 1.00 0.00 C ATOM 711 O LYS A 45 6.734 -3.837 -0.439 1.00 0.00 O ATOM 712 CB LYS A 45 7.654 -1.966 -2.921 1.00 0.00 C ATOM 713 CG LYS A 45 7.728 -1.999 -4.428 1.00 0.00 C ATOM 714 CD LYS A 45 9.109 -1.690 -4.936 1.00 0.00 C ATOM 715 CE LYS A 45 9.188 -1.910 -6.429 1.00 0.00 C ATOM 716 NZ LYS A 45 10.504 -1.505 -6.982 1.00 0.00 N ATOM 0 H LYS A 45 5.500 -0.775 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 45 6.206 -3.511 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.762 -0.938 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.488 -2.531 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.424 -2.984 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.021 -1.279 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.366 -0.657 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.838 -2.323 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.010 -2.962 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.398 -1.343 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.516 -1.672 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.663 -0.495 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.257 -2.064 -6.532 1.00 0.00 H new ATOM 730 N ALA A 46 6.026 -1.731 -0.146 1.00 0.00 N ATOM 731 CA ALA A 46 5.997 -1.849 1.303 1.00 0.00 C ATOM 732 C ALA A 46 4.961 -2.885 1.716 1.00 0.00 C ATOM 733 O ALA A 46 5.132 -3.604 2.703 1.00 0.00 O ATOM 734 CB ALA A 46 5.694 -0.505 1.946 1.00 0.00 C ATOM 0 H ALA A 46 5.743 -0.819 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 46 6.979 -2.174 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.677 -0.616 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.464 0.214 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.723 -0.148 1.603 1.00 0.00 H new ATOM 740 N TYR A 47 3.885 -2.972 0.939 1.00 0.00 N ATOM 741 CA TYR A 47 2.835 -3.936 1.178 1.00 0.00 C ATOM 742 C TYR A 47 3.360 -5.355 1.026 1.00 0.00 C ATOM 743 O TYR A 47 3.252 -6.159 1.945 1.00 0.00 O ATOM 744 CB TYR A 47 1.668 -3.704 0.214 1.00 0.00 C ATOM 745 CG TYR A 47 0.571 -4.749 0.296 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.484 -4.605 1.176 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.593 -5.875 -0.519 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.491 -5.546 1.247 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.407 -6.823 -0.456 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.448 -6.654 0.427 1.00 0.00 C ATOM 751 OH TYR A 47 -2.442 -7.596 0.495 1.00 0.00 O ATOM 0 H TYR A 47 3.724 -2.373 0.129 1.00 0.00 H new ATOM 0 HA TYR A 47 2.481 -3.805 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.235 -2.724 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.054 -3.679 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.522 -3.739 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.408 -6.010 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.308 -5.415 1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.373 -7.692 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.260 -8.311 -0.150 1.00 0.00 H new ATOM 761 N CYS A 48 3.955 -5.667 -0.124 1.00 0.00 N ATOM 762 CA CYS A 48 4.449 -7.015 -0.368 1.00 0.00 C ATOM 763 C CYS A 48 5.555 -7.377 0.619 1.00 0.00 C ATOM 764 O CYS A 48 5.640 -8.511 1.079 1.00 0.00 O ATOM 765 CB CYS A 48 4.922 -7.181 -1.825 1.00 0.00 C ATOM 766 SG CYS A 48 6.214 -6.030 -2.355 1.00 0.00 S ATOM 0 H CYS A 48 4.104 -5.012 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 48 3.622 -7.708 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.289 -8.199 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.062 -7.064 -2.484 1.00 0.00 H new ATOM 0 HG CYS A 48 6.607 -5.321 -1.339 1.00 0.00 H new ATOM 772 N GLU A 49 6.380 -6.399 0.977 1.00 0.00 N ATOM 773 CA GLU A 49 7.452 -6.610 1.934 1.00 0.00 C ATOM 774 C GLU A 49 6.909 -7.024 3.295 1.00 0.00 C ATOM 775 O GLU A 49 7.358 -8.005 3.885 1.00 0.00 O ATOM 776 CB GLU A 49 8.281 -5.342 2.081 1.00 0.00 C ATOM 777 CG GLU A 49 9.177 -5.051 0.898 1.00 0.00 C ATOM 778 CD GLU A 49 10.398 -5.933 0.870 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.401 -5.580 1.534 1.00 0.00 O ATOM 780 OE2 GLU A 49 10.372 -6.976 0.194 1.00 0.00 O ATOM 0 H GLU A 49 6.323 -5.447 0.614 1.00 0.00 H new ATOM 0 HA GLU A 49 8.080 -7.417 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.609 -4.497 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.896 -5.424 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.612 -5.188 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.487 -4.007 0.929 1.00 0.00 H new ATOM 787 N ARG A 50 5.921 -6.295 3.789 1.00 0.00 N ATOM 788 CA ARG A 50 5.369 -6.572 5.105 1.00 0.00 C ATOM 789 C ARG A 50 4.445 -7.791 5.077 1.00 0.00 C ATOM 790 O ARG A 50 4.335 -8.526 6.060 1.00 0.00 O ATOM 791 CB ARG A 50 4.622 -5.342 5.652 1.00 0.00 C ATOM 792 CG ARG A 50 3.345 -5.001 4.895 1.00 0.00 C ATOM 793 CD ARG A 50 2.686 -3.744 5.436 1.00 0.00 C ATOM 794 NE ARG A 50 2.389 -3.849 6.863 1.00 0.00 N ATOM 795 CZ ARG A 50 2.486 -2.837 7.731 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.917 -1.645 7.325 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.162 -3.024 8.999 1.00 0.00 N ATOM 0 H ARG A 50 5.487 -5.511 3.302 1.00 0.00 H new ATOM 0 HA ARG A 50 6.201 -6.798 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.375 -5.517 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.290 -4.481 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.575 -4.865 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.647 -5.836 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.341 -2.890 5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.764 -3.554 4.887 1.00 0.00 H new ATOM 0 HE ARG A 50 2.087 -4.755 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.175 -1.501 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.990 -0.875 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.839 -3.939 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.235 -2.253 9.663 1.00 0.00 H new ATOM 811 N GLN A 51 3.782 -8.012 3.949 1.00 0.00 N ATOM 812 CA GLN A 51 2.848 -9.123 3.818 1.00 0.00 C ATOM 813 C GLN A 51 3.549 -10.435 3.483 1.00 0.00 C ATOM 814 O GLN A 51 3.012 -11.511 3.734 1.00 0.00 O ATOM 815 CB GLN A 51 1.778 -8.805 2.779 1.00 0.00 C ATOM 816 CG GLN A 51 0.837 -7.694 3.205 1.00 0.00 C ATOM 817 CD GLN A 51 0.034 -8.055 4.437 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.067 -8.581 4.337 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.588 -7.793 5.603 1.00 0.00 N ATOM 0 H GLN A 51 3.874 -7.437 3.112 1.00 0.00 H new ATOM 0 HA GLN A 51 2.370 -9.255 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.262 -8.523 1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.198 -9.706 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.413 -6.790 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.156 -7.465 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.508 -7.354 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.097 -8.030 6.465 1.00 0.00 H new ATOM 828 N GLY A 52 4.750 -10.358 2.927 1.00 0.00 N ATOM 829 CA GLY A 52 5.483 -11.566 2.600 1.00 0.00 C ATOM 830 C GLY A 52 5.271 -12.030 1.165 1.00 0.00 C ATOM 831 O GLY A 52 5.700 -13.121 0.784 1.00 0.00 O ATOM 0 H GLY A 52 5.228 -9.487 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.546 -11.393 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.180 -12.362 3.280 1.00 0.00 H new ATOM 835 N LEU A 53 4.604 -11.214 0.362 1.00 0.00 N ATOM 836 CA LEU A 53 4.350 -11.563 -1.034 1.00 0.00 C ATOM 837 C LEU A 53 5.367 -10.904 -1.955 1.00 0.00 C ATOM 838 O LEU A 53 6.182 -10.097 -1.523 1.00 0.00 O ATOM 839 CB LEU A 53 2.927 -11.161 -1.467 1.00 0.00 C ATOM 840 CG LEU A 53 1.759 -11.948 -0.843 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.984 -13.449 -0.956 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.530 -11.537 0.600 1.00 0.00 C ATOM 0 H LEU A 53 4.229 -10.309 0.648 1.00 0.00 H new ATOM 0 HA LEU A 53 4.445 -12.646 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.787 -10.105 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.862 -11.260 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 53 0.858 -11.704 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.143 -13.978 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.068 -13.726 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.903 -13.719 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.700 -12.109 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.431 -11.733 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.295 -10.474 0.642 1.00 0.00 H new ATOM 854 N SER A 54 5.319 -11.246 -3.228 1.00 0.00 N ATOM 855 CA SER A 54 6.229 -10.687 -4.200 1.00 0.00 C ATOM 856 C SER A 54 5.470 -9.991 -5.330 1.00 0.00 C ATOM 857 O SER A 54 4.302 -10.287 -5.578 1.00 0.00 O ATOM 858 CB SER A 54 7.109 -11.793 -4.757 1.00 0.00 C ATOM 859 OG SER A 54 7.934 -12.343 -3.747 1.00 0.00 O ATOM 0 H SER A 54 4.652 -11.915 -3.612 1.00 0.00 H new ATOM 0 HA SER A 54 6.850 -9.938 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.485 -12.576 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.728 -11.399 -5.563 1.00 0.00 H new ATOM 0 HG SER A 54 8.490 -13.054 -4.130 1.00 0.00 H new ATOM 865 N MET A 55 6.139 -9.070 -6.021 1.00 0.00 N ATOM 866 CA MET A 55 5.531 -8.326 -7.134 1.00 0.00 C ATOM 867 C MET A 55 5.148 -9.235 -8.294 1.00 0.00 C ATOM 868 O MET A 55 4.245 -8.934 -9.061 1.00 0.00 O ATOM 869 CB MET A 55 6.458 -7.206 -7.615 1.00 0.00 C ATOM 870 CG MET A 55 6.385 -5.979 -6.748 1.00 0.00 C ATOM 871 SD MET A 55 4.739 -5.256 -6.762 1.00 0.00 S ATOM 872 CE MET A 55 4.860 -4.156 -5.376 1.00 0.00 C ATOM 0 H MET A 55 7.109 -8.817 -5.832 1.00 0.00 H new ATOM 0 HA MET A 55 4.612 -7.881 -6.752 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.484 -7.572 -7.633 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.197 -6.938 -8.639 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.661 -6.238 -5.726 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.109 -5.243 -7.096 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.972 -4.257 -4.753 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.745 -4.405 -4.790 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.938 -3.129 -5.732 1.00 0.00 H new ATOM 882 N ARG A 56 5.847 -10.344 -8.434 1.00 0.00 N ATOM 883 CA ARG A 56 5.526 -11.308 -9.480 1.00 0.00 C ATOM 884 C ARG A 56 4.426 -12.246 -9.002 1.00 0.00 C ATOM 885 O ARG A 56 3.831 -12.994 -9.780 1.00 0.00 O ATOM 886 CB ARG A 56 6.762 -12.118 -9.909 1.00 0.00 C ATOM 887 CG ARG A 56 7.456 -12.866 -8.780 1.00 0.00 C ATOM 888 CD ARG A 56 8.669 -12.112 -8.265 1.00 0.00 C ATOM 889 NE ARG A 56 9.685 -11.944 -9.308 1.00 0.00 N ATOM 890 CZ ARG A 56 10.883 -12.548 -9.314 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.217 -13.393 -8.340 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.738 -12.311 -10.300 1.00 0.00 N ATOM 0 H ARG A 56 6.637 -10.603 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 56 5.178 -10.751 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.462 -12.836 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.480 -11.441 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.752 -13.024 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.763 -13.851 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.360 -11.134 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.100 -12.649 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 56 9.465 -11.322 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.560 -13.584 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.129 -13.849 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.484 -11.670 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.649 -12.769 -10.306 1.00 0.00 H new ATOM 906 N GLN A 57 4.166 -12.198 -7.711 1.00 0.00 N ATOM 907 CA GLN A 57 3.185 -13.056 -7.082 1.00 0.00 C ATOM 908 C GLN A 57 1.828 -12.386 -6.995 1.00 0.00 C ATOM 909 O GLN A 57 0.802 -13.046 -7.048 1.00 0.00 O ATOM 910 CB GLN A 57 3.663 -13.465 -5.683 1.00 0.00 C ATOM 911 CG GLN A 57 4.371 -14.812 -5.639 1.00 0.00 C ATOM 912 CD GLN A 57 5.600 -14.864 -6.519 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.704 -14.591 -6.076 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.407 -15.182 -7.777 1.00 0.00 N ATOM 0 H GLN A 57 4.632 -11.559 -7.067 1.00 0.00 H new ATOM 0 HA GLN A 57 3.076 -13.946 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.338 -12.699 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.805 -13.495 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.658 -15.032 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.676 -15.592 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.468 -15.404 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.196 -15.207 -8.423 1.00 0.00 H new ATOM 923 N ILE A 58 1.812 -11.078 -6.869 1.00 0.00 N ATOM 924 CA ILE A 58 0.557 -10.356 -6.732 1.00 0.00 C ATOM 925 C ILE A 58 0.501 -9.159 -7.659 1.00 0.00 C ATOM 926 O ILE A 58 1.453 -8.863 -8.368 1.00 0.00 O ATOM 927 CB ILE A 58 0.333 -9.877 -5.278 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.304 -8.741 -4.930 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.495 -11.039 -4.307 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.267 -8.322 -3.476 1.00 0.00 C ATOM 0 H ILE A 58 2.646 -10.491 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.233 -11.056 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.684 -9.495 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.317 -9.054 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.073 -7.876 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.335 -10.687 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.234 -11.814 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.501 -11.449 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.981 -7.515 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.265 -7.977 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.528 -9.172 -2.846 1.00 0.00 H new ATOM 942 N ARG A 59 -0.621 -8.473 -7.646 1.00 0.00 N ATOM 943 CA ARG A 59 -0.818 -7.295 -8.470 1.00 0.00 C ATOM 944 C ARG A 59 -1.766 -6.322 -7.812 1.00 0.00 C ATOM 945 O ARG A 59 -2.724 -6.719 -7.147 1.00 0.00 O ATOM 946 CB ARG A 59 -1.335 -7.668 -9.863 1.00 0.00 C ATOM 947 CG ARG A 59 -0.241 -7.875 -10.896 1.00 0.00 C ATOM 948 CD ARG A 59 0.544 -6.593 -11.126 1.00 0.00 C ATOM 949 NE ARG A 59 1.503 -6.727 -12.215 1.00 0.00 N ATOM 950 CZ ARG A 59 2.001 -5.707 -12.917 1.00 0.00 C ATOM 951 NH1 ARG A 59 1.640 -4.453 -12.637 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.861 -5.940 -13.897 1.00 0.00 N ATOM 0 H ARG A 59 -1.424 -8.714 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 59 0.154 -6.814 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.926 -8.581 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.006 -6.883 -10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.434 -8.663 -10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.682 -8.209 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.147 -5.780 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.070 -6.321 -10.211 1.00 0.00 H new ATOM 0 HE ARG A 59 1.816 -7.667 -12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.979 -4.269 -11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.025 -3.679 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.141 -6.897 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.243 -5.163 -14.435 1.00 0.00 H new ATOM 966 N PHE A 60 -1.488 -5.044 -7.991 1.00 0.00 N ATOM 967 CA PHE A 60 -2.305 -3.980 -7.442 1.00 0.00 C ATOM 968 C PHE A 60 -3.206 -3.415 -8.526 1.00 0.00 C ATOM 969 O PHE A 60 -2.799 -3.284 -9.683 1.00 0.00 O ATOM 970 CB PHE A 60 -1.415 -2.874 -6.867 1.00 0.00 C ATOM 971 CG PHE A 60 -0.566 -3.319 -5.707 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.515 -4.169 -5.901 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.847 -2.888 -4.426 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.290 -4.576 -4.838 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.073 -3.291 -3.358 1.00 0.00 C ATOM 976 CZ PHE A 60 0.996 -4.138 -3.565 1.00 0.00 C ATOM 0 H PHE A 60 -0.684 -4.714 -8.525 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.922 -4.383 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.766 -2.496 -7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.044 -2.044 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.750 -4.515 -6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.684 -2.226 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.128 -5.238 -5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.303 -2.944 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.602 -4.458 -2.730 1.00 0.00 H new ATOM 986 N ARG A 61 -4.426 -3.090 -8.167 1.00 0.00 N ATOM 987 CA ARG A 61 -5.399 -2.602 -9.119 1.00 0.00 C ATOM 988 C ARG A 61 -6.282 -1.517 -8.498 1.00 0.00 C ATOM 989 O ARG A 61 -6.688 -1.611 -7.339 1.00 0.00 O ATOM 990 CB ARG A 61 -6.227 -3.791 -9.591 1.00 0.00 C ATOM 991 CG ARG A 61 -7.426 -3.472 -10.458 1.00 0.00 C ATOM 992 CD ARG A 61 -8.696 -3.853 -9.737 1.00 0.00 C ATOM 993 NE ARG A 61 -9.790 -4.158 -10.651 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.769 -5.026 -10.377 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.724 -5.761 -9.261 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.772 -5.187 -11.230 1.00 0.00 N ATOM 0 H ARG A 61 -4.772 -3.156 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.895 -2.141 -9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.573 -4.464 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.575 -4.336 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.439 -2.409 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.357 -4.012 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.504 -4.719 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.994 -3.037 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.810 -3.681 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.941 -5.660 -8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.473 -6.422 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.797 -4.648 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.519 -5.850 -11.020 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.567 -0.483 -9.272 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.397 0.623 -8.825 1.00 0.00 C ATOM 1012 C PHE A 62 -8.227 1.125 -9.980 1.00 0.00 C ATOM 1013 O PHE A 62 -7.780 1.105 -11.109 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.530 1.758 -8.278 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.315 2.902 -7.708 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.765 2.859 -6.405 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.600 4.020 -8.476 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.484 3.907 -5.874 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.321 5.071 -7.952 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.762 5.016 -6.648 1.00 0.00 C ATOM 0 H PHE A 62 -6.229 -0.387 -10.229 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.052 0.273 -8.027 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.873 1.360 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.891 2.132 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.551 1.994 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.253 4.068 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.830 3.861 -4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.540 5.935 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.324 5.839 -6.232 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.443 1.574 -9.691 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.384 2.064 -10.721 1.00 0.00 C ATOM 1032 C ASP A 63 -10.633 0.979 -11.754 1.00 0.00 C ATOM 1033 O ASP A 63 -11.019 1.240 -12.885 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.794 3.294 -11.411 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.832 4.151 -12.114 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.769 4.628 -11.444 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.690 4.388 -13.329 1.00 0.00 O ATOM 0 H ASP A 63 -9.814 1.613 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.327 2.329 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.274 3.902 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.049 2.971 -12.138 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.418 -0.248 -11.349 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.584 -1.355 -12.233 1.00 0.00 C ATOM 1044 C GLY A 64 -9.320 -1.666 -13.023 1.00 0.00 C ATOM 1045 O GLY A 64 -9.086 -2.807 -13.419 1.00 0.00 O ATOM 0 H GLY A 64 -10.126 -0.498 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.875 -2.234 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.399 -1.143 -12.926 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.484 -0.659 -13.217 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.262 -0.801 -14.003 1.00 0.00 C ATOM 1051 C GLN A 65 -6.077 -1.217 -13.121 1.00 0.00 C ATOM 1052 O GLN A 65 -6.026 -0.886 -11.936 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.951 0.511 -14.743 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.876 1.724 -13.834 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.605 3.014 -14.570 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.952 3.941 -13.897 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -6.985 3.179 -15.730 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.629 0.277 -12.838 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.422 -1.590 -14.738 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.003 0.404 -15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.718 0.682 -15.499 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.815 1.817 -13.288 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.091 1.566 -13.094 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.487 2.434 -16.213 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.797 4.061 -16.208 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.121 -1.968 -13.684 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.941 -2.398 -12.951 1.00 0.00 C ATOM 1068 C PRO A 66 -2.989 -1.233 -12.696 1.00 0.00 C ATOM 1069 O PRO A 66 -2.813 -0.358 -13.543 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.291 -3.446 -13.861 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.814 -3.170 -15.233 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.127 -2.441 -15.078 1.00 0.00 C ATOM 0 HA PRO A 66 -4.191 -2.795 -11.967 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.204 -3.368 -13.833 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.547 -4.456 -13.540 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.105 -2.567 -15.800 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.954 -4.100 -15.785 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.205 -1.610 -15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.973 -3.101 -15.270 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.387 -1.216 -11.526 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.496 -0.137 -11.139 1.00 0.00 C ATOM 1082 C ILE A 67 -0.052 -0.464 -11.509 1.00 0.00 C ATOM 1083 O ILE A 67 0.351 -1.637 -11.532 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.577 0.127 -9.615 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.028 0.299 -9.172 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.773 1.354 -9.236 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.179 0.534 -7.686 1.00 0.00 C ATOM 0 H ILE A 67 -2.498 -1.943 -10.819 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.814 0.756 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.154 -0.738 -9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.468 1.138 -9.711 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.593 -0.590 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.845 1.519 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.271 1.204 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.165 2.223 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.235 0.648 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.769 -0.316 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.642 1.440 -7.404 1.00 0.00 H new ATOM 1099 N ASN A 68 0.726 0.566 -11.808 1.00 0.00 N ATOM 1100 CA ASN A 68 2.131 0.406 -12.129 1.00 0.00 C ATOM 1101 C ASN A 68 2.948 1.093 -11.073 1.00 0.00 C ATOM 1102 O ASN A 68 2.418 1.764 -10.193 1.00 0.00 O ATOM 1103 CB ASN A 68 2.490 1.025 -13.488 1.00 0.00 C ATOM 1104 CG ASN A 68 1.351 1.066 -14.467 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.666 2.182 -14.500 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 1.104 0.106 -15.202 1.00 0.00 N flip ATOM 0 H ASN A 68 0.400 1.532 -11.834 1.00 0.00 H new ATOM 0 HA ASN A 68 2.341 -0.663 -12.173 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.853 2.040 -13.328 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.311 0.458 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.666 -0.743 -15.139 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.337 0.161 -15.873 1.00 0.00 H new ATOM 1113 N GLU A 69 4.233 0.962 -11.173 1.00 0.00 N ATOM 1114 CA GLU A 69 5.134 1.578 -10.236 1.00 0.00 C ATOM 1115 C GLU A 69 5.277 3.066 -10.542 1.00 0.00 C ATOM 1116 O GLU A 69 5.664 3.866 -9.686 1.00 0.00 O ATOM 1117 CB GLU A 69 6.503 0.900 -10.293 1.00 0.00 C ATOM 1118 CG GLU A 69 7.204 1.024 -11.646 1.00 0.00 C ATOM 1119 CD GLU A 69 6.594 0.163 -12.729 1.00 0.00 C ATOM 1120 OE1 GLU A 69 5.673 0.640 -13.423 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.036 -0.987 -12.896 1.00 0.00 O ATOM 0 H GLU A 69 4.694 0.424 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 69 4.725 1.461 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.143 1.332 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.384 -0.157 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.177 2.066 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.253 0.754 -11.527 1.00 0.00 H new ATOM 1128 N THR A 70 4.949 3.426 -11.763 1.00 0.00 N ATOM 1129 CA THR A 70 5.059 4.788 -12.227 1.00 0.00 C ATOM 1130 C THR A 70 3.716 5.516 -12.082 1.00 0.00 C ATOM 1131 O THR A 70 3.535 6.648 -12.543 1.00 0.00 O ATOM 1132 CB THR A 70 5.548 4.813 -13.690 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.705 6.157 -14.161 1.00 0.00 O ATOM 1134 CG2 THR A 70 4.584 4.065 -14.566 1.00 0.00 C ATOM 0 H THR A 70 4.596 2.776 -12.466 1.00 0.00 H new ATOM 0 HA THR A 70 5.792 5.311 -11.612 1.00 0.00 H new ATOM 0 HB THR A 70 6.523 4.327 -13.732 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.008 6.724 -13.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.937 4.087 -15.597 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.513 3.031 -14.229 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.601 4.533 -14.508 1.00 0.00 H new ATOM 1142 N ASP A 71 2.779 4.862 -11.418 1.00 0.00 N ATOM 1143 CA ASP A 71 1.478 5.447 -11.169 1.00 0.00 C ATOM 1144 C ASP A 71 1.538 6.439 -10.020 1.00 0.00 C ATOM 1145 O ASP A 71 2.162 6.184 -8.981 1.00 0.00 O ATOM 1146 CB ASP A 71 0.453 4.376 -10.850 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.444 4.067 -12.012 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.889 5.011 -12.692 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.692 2.874 -12.266 1.00 0.00 O ATOM 0 H ASP A 71 2.898 3.922 -11.041 1.00 0.00 H new ATOM 0 HA ASP A 71 1.179 5.970 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.968 3.466 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.154 4.700 -10.004 1.00 0.00 H new ATOM 1154 N THR A 72 0.920 7.580 -10.209 1.00 0.00 N ATOM 1155 CA THR A 72 0.827 8.581 -9.175 1.00 0.00 C ATOM 1156 C THR A 72 -0.612 8.721 -8.715 1.00 0.00 C ATOM 1157 O THR A 72 -1.526 8.752 -9.537 1.00 0.00 O ATOM 1158 CB THR A 72 1.343 9.939 -9.662 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.283 9.997 -11.094 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.765 10.182 -9.185 1.00 0.00 C ATOM 0 H THR A 72 0.467 7.840 -11.085 1.00 0.00 H new ATOM 0 HA THR A 72 1.450 8.257 -8.342 1.00 0.00 H new ATOM 0 HB THR A 72 0.708 10.720 -9.244 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.750 10.773 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.108 11.152 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.791 10.168 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.418 9.400 -9.573 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.832 8.830 -7.396 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.174 8.920 -6.815 1.00 0.00 C ATOM 1170 C PRO A 73 -2.986 10.073 -7.398 1.00 0.00 C ATOM 1171 O PRO A 73 -4.205 9.979 -7.576 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.915 9.152 -5.316 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.474 9.520 -5.212 1.00 0.00 C ATOM 1174 CD PRO A 73 0.212 8.885 -6.373 1.00 0.00 C ATOM 0 HA PRO A 73 -2.759 8.024 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.552 9.946 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.134 8.255 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.348 10.603 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.051 9.167 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.068 9.473 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.584 7.891 -6.125 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.305 11.156 -7.721 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.953 12.328 -8.266 1.00 0.00 C ATOM 1184 C ALA A 74 -3.392 12.112 -9.715 1.00 0.00 C ATOM 1185 O ALA A 74 -4.236 12.843 -10.237 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.027 13.528 -8.160 1.00 0.00 C ATOM 0 H ALA A 74 -1.295 11.246 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.853 12.517 -7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.522 14.407 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.782 13.707 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.112 13.332 -8.718 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.838 11.101 -10.365 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.183 10.821 -11.748 1.00 0.00 C ATOM 1194 C GLN A 75 -4.528 10.119 -11.842 1.00 0.00 C ATOM 1195 O GLN A 75 -5.280 10.323 -12.788 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.093 9.995 -12.433 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.449 10.708 -13.622 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.833 12.060 -13.261 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.254 12.160 -12.078 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 -0.847 12.992 -14.063 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.152 10.465 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.260 11.775 -12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.321 9.750 -11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.521 9.052 -12.773 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.676 10.067 -14.045 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.200 10.855 -14.398 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.304 12.879 -14.968 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.402 13.878 -13.823 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.841 9.289 -10.854 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.118 8.593 -10.840 1.00 0.00 C ATOM 1211 C LEU A 76 -7.159 9.431 -10.111 1.00 0.00 C ATOM 1212 O LEU A 76 -8.331 9.061 -10.025 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.981 7.217 -10.177 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.674 6.477 -10.467 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.712 6.638 -9.310 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.933 5.008 -10.751 1.00 0.00 C ATOM 0 H LEU A 76 -4.234 9.084 -10.060 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.442 8.443 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.077 7.341 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.813 6.592 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.222 6.915 -11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.786 6.106 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.496 7.696 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.160 6.228 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.988 4.505 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.410 4.549 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.587 4.915 -11.618 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.711 10.584 -9.582 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.572 11.518 -8.845 1.00 0.00 C ATOM 1230 C GLU A 77 -8.239 10.824 -7.663 1.00 0.00 C ATOM 1231 O GLU A 77 -9.383 11.109 -7.311 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.620 12.134 -9.776 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.025 12.895 -10.949 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.081 13.543 -11.810 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.664 12.849 -12.671 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.338 14.750 -11.635 1.00 0.00 O ATOM 0 H GLU A 77 -5.741 10.892 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.947 12.321 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.264 11.342 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.253 12.809 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.345 13.661 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.432 12.213 -11.558 1.00 0.00 H new ATOM 1243 N MET A 78 -7.499 9.929 -7.036 1.00 0.00 N ATOM 1244 CA MET A 78 -7.999 9.165 -5.912 1.00 0.00 C ATOM 1245 C MET A 78 -8.031 10.023 -4.650 1.00 0.00 C ATOM 1246 O MET A 78 -7.355 11.056 -4.566 1.00 0.00 O ATOM 1247 CB MET A 78 -7.134 7.918 -5.713 1.00 0.00 C ATOM 1248 CG MET A 78 -5.709 8.211 -5.275 1.00 0.00 C ATOM 1249 SD MET A 78 -4.531 6.967 -5.851 1.00 0.00 S ATOM 1250 CE MET A 78 -5.319 5.459 -5.324 1.00 0.00 C ATOM 0 H MET A 78 -6.536 9.712 -7.292 1.00 0.00 H new ATOM 0 HA MET A 78 -9.021 8.849 -6.120 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.606 7.277 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.107 7.356 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.411 9.189 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.672 8.264 -4.187 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.566 4.769 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.040 5.681 -4.537 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.834 5.003 -6.169 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.803 9.606 -3.672 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.959 10.370 -2.446 1.00 0.00 C ATOM 1262 C GLU A 79 -8.341 9.631 -1.280 1.00 0.00 C ATOM 1263 O GLU A 79 -8.001 8.453 -1.388 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.441 10.598 -2.169 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.189 9.321 -1.819 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.685 9.512 -1.758 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.308 9.735 -2.821 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.248 9.454 -0.643 1.00 0.00 O ATOM 0 H GLU A 79 -9.337 8.737 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.454 11.328 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.546 11.309 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.902 11.053 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.956 8.555 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.836 8.952 -0.856 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.155 10.321 -0.164 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.681 9.678 1.045 1.00 0.00 C ATOM 1277 C ASP A 80 -8.674 8.632 1.531 1.00 0.00 C ATOM 1278 O ASP A 80 -9.886 8.752 1.325 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.407 10.707 2.153 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.594 11.601 2.447 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.805 12.582 1.697 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.311 11.342 3.432 1.00 0.00 O ATOM 0 H ASP A 80 -8.325 11.323 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.742 9.179 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.122 10.182 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.558 11.326 1.863 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.129 7.594 2.149 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.878 6.474 2.688 1.00 0.00 C ATOM 1289 C GLU A 81 -9.402 5.574 1.583 1.00 0.00 C ATOM 1290 O GLU A 81 -10.250 4.714 1.816 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.002 6.961 3.588 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.498 7.701 4.803 1.00 0.00 C ATOM 1293 CD GLU A 81 -8.884 6.778 5.825 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.639 6.037 6.497 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -7.652 6.774 5.957 1.00 0.00 O ATOM 0 H GLU A 81 -7.123 7.508 2.292 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.198 5.876 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.661 7.615 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.600 6.108 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.759 8.440 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.323 8.247 5.260 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.891 5.759 0.371 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.306 4.922 -0.751 1.00 0.00 C ATOM 1304 C ASP A 82 -8.676 3.537 -0.635 1.00 0.00 C ATOM 1305 O ASP A 82 -7.660 3.360 0.045 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.947 5.562 -2.091 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.996 5.286 -3.150 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.444 4.124 -3.271 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.396 6.232 -3.858 1.00 0.00 O ATOM 0 H ASP A 82 -8.198 6.471 0.141 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.391 4.824 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.837 6.639 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.983 5.182 -2.428 1.00 0.00 H new ATOM 1314 N THR A 83 -9.260 2.556 -1.288 1.00 0.00 N ATOM 1315 CA THR A 83 -8.788 1.187 -1.176 1.00 0.00 C ATOM 1316 C THR A 83 -8.254 0.623 -2.509 1.00 0.00 C ATOM 1317 O THR A 83 -8.847 0.807 -3.578 1.00 0.00 O ATOM 1318 CB THR A 83 -9.900 0.275 -0.620 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.383 0.823 0.616 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.382 -1.135 -0.370 1.00 0.00 C ATOM 0 H THR A 83 -10.064 2.678 -1.904 1.00 0.00 H new ATOM 0 HA THR A 83 -7.949 1.204 -0.480 1.00 0.00 H new ATOM 0 HB THR A 83 -10.703 0.223 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.681 0.096 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.189 -1.755 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.019 -1.560 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.567 -1.100 0.353 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.124 -0.065 -2.416 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.469 -0.703 -3.548 1.00 0.00 C ATOM 1330 C ILE A 84 -6.857 -2.183 -3.591 1.00 0.00 C ATOM 1331 O ILE A 84 -6.958 -2.827 -2.551 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.922 -0.602 -3.418 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.469 0.858 -3.258 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.229 -1.254 -4.602 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.789 1.741 -4.441 1.00 0.00 C ATOM 0 H ILE A 84 -6.628 -0.197 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.787 -0.196 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.633 -1.143 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.940 1.277 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.393 0.876 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.149 -1.168 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.506 -2.307 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.534 -0.755 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.436 2.753 -4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.296 1.350 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.867 1.758 -4.602 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.074 -2.716 -4.780 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.441 -4.122 -4.937 1.00 0.00 C ATOM 1349 C ASP A 85 -6.218 -4.948 -5.312 1.00 0.00 C ATOM 1350 O ASP A 85 -5.604 -4.722 -6.348 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.519 -4.271 -6.016 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.022 -5.695 -6.161 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.574 -6.236 -5.183 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.910 -6.264 -7.269 1.00 0.00 O ATOM 0 H ASP A 85 -7.004 -2.199 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.836 -4.485 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.358 -3.618 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.117 -3.935 -6.972 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.846 -5.879 -4.464 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.708 -6.740 -4.733 1.00 0.00 C ATOM 1361 C VAL A 86 -5.156 -8.171 -4.930 1.00 0.00 C ATOM 1362 O VAL A 86 -5.968 -8.699 -4.172 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.653 -6.669 -3.604 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.561 -7.716 -3.795 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.046 -5.294 -3.561 1.00 0.00 C ATOM 0 H VAL A 86 -6.315 -6.063 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.243 -6.381 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.154 -6.877 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.836 -7.638 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.006 -8.711 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.059 -7.548 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.304 -5.249 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.567 -5.078 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.827 -4.557 -3.372 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.604 -8.811 -5.933 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.959 -10.169 -6.257 1.00 0.00 C ATOM 1377 C PHE A 87 -3.713 -10.969 -6.583 1.00 0.00 C ATOM 1378 O PHE A 87 -2.687 -10.404 -6.970 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.979 -10.209 -7.401 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.703 -9.245 -8.516 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.223 -7.961 -8.482 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.940 -9.621 -9.599 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.979 -7.081 -9.506 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.693 -8.739 -10.631 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.214 -7.467 -10.585 1.00 0.00 C ATOM 0 H PHE A 87 -3.897 -8.404 -6.546 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.434 -10.627 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.008 -11.219 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.969 -10.001 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.826 -7.650 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.530 -10.619 -9.641 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.388 -6.082 -9.466 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.092 -9.047 -11.473 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.024 -6.774 -11.391 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.782 -12.277 -6.408 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.626 -13.135 -6.619 1.00 0.00 C ATOM 1397 C GLN A 88 -2.432 -13.438 -8.107 1.00 0.00 C ATOM 1398 O GLN A 88 -3.246 -14.110 -8.729 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.798 -14.438 -5.832 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.496 -15.182 -5.551 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.615 -14.496 -4.508 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.223 -13.767 -3.582 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 0.608 -14.622 -4.539 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.627 -12.770 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.738 -12.613 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.286 -14.213 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.466 -15.097 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.729 -16.191 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.935 -15.281 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.044 -15.190 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.186 -14.158 -3.838 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.364 -12.911 -8.669 1.00 0.00 N ATOM 1413 CA GLN A 89 -1.036 -13.124 -10.075 1.00 0.00 C ATOM 1414 C GLN A 89 0.182 -14.020 -10.240 1.00 0.00 C ATOM 1415 O GLN A 89 0.937 -13.887 -11.209 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.798 -11.790 -10.776 1.00 0.00 C ATOM 1417 CG GLN A 89 -2.075 -11.058 -11.143 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.945 -11.857 -12.098 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.445 -12.652 -12.888 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -4.243 -11.646 -12.037 1.00 0.00 N ATOM 0 H GLN A 89 -0.696 -12.323 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.887 -13.626 -10.535 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.197 -11.152 -10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.216 -11.964 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.640 -10.841 -10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.824 -10.100 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.620 -10.977 -11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.872 -12.152 -12.661 1.00 0.00 H new