USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 64 GLN :FLIP amide:sc= -1.12 X(o=-8.9,f=-8.8) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -0.0977 F(o=-9.6,f=-8.8) USER MOD Set 1.3: A 67 ASN : amide:sc= -7.54! C(o=-8.8!,f=-9.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -99:sc= -0.28 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.49 F(o=-2.2,f=-1.5) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 20:sc= 0.186 USER MOD Single : A 65 MET CE :methyl -174:sc= -0.882 (180deg=-0.979) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 74 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.92) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 93 SER OG : rot 40:sc= 0.566 USER MOD Single : A 94 CYS SG : rot 116:sc= -1.31 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc=-0.000635 X(o=-0.00063,f=-0.044) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.0646 F(o=-0.72,f=-0.065) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -3.711 -10.216 -5.982 1.00 0.00 N ATOM 266 CA GLU A 20 -3.997 -10.335 -4.557 1.00 0.00 C ATOM 267 C GLU A 20 -3.869 -8.982 -3.862 1.00 0.00 C ATOM 268 O GLU A 20 -4.656 -8.649 -2.975 1.00 0.00 O ATOM 269 CB GLU A 20 -3.051 -11.346 -3.905 1.00 0.00 C ATOM 270 CG GLU A 20 -3.248 -12.769 -4.401 1.00 0.00 C ATOM 271 CD GLU A 20 -4.688 -13.230 -4.298 1.00 0.00 C ATOM 272 OE1 GLU A 20 -5.171 -13.414 -3.161 1.00 0.00 O ATOM 273 OE2 GLU A 20 -5.333 -13.406 -5.353 1.00 0.00 O ATOM 0 HA GLU A 20 -5.023 -10.686 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.021 -11.043 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.196 -11.323 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.923 -12.836 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.613 -13.442 -3.824 1.00 0.00 H new ATOM 280 N THR A 21 -2.871 -8.206 -4.271 1.00 0.00 N ATOM 281 CA THR A 21 -2.637 -6.890 -3.689 1.00 0.00 C ATOM 282 C THR A 21 -2.910 -5.784 -4.702 1.00 0.00 C ATOM 283 O THR A 21 -2.785 -5.972 -5.912 1.00 0.00 O ATOM 284 CB THR A 21 -1.193 -6.753 -3.173 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.345 -6.255 -4.214 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.665 -8.091 -2.679 1.00 0.00 C ATOM 0 H THR A 21 -2.211 -8.466 -5.004 1.00 0.00 H new ATOM 0 HA THR A 21 -3.326 -6.788 -2.850 1.00 0.00 H new ATOM 0 HB THR A 21 -1.195 -6.051 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.571 -6.169 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.357 -7.969 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.295 -8.453 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.678 -8.812 -3.497 1.00 0.00 H new ATOM 294 N PRO A 22 -3.291 -4.600 -4.199 1.00 0.00 N ATOM 295 CA PRO A 22 -3.588 -3.439 -5.042 1.00 0.00 C ATOM 296 C PRO A 22 -2.338 -2.866 -5.702 1.00 0.00 C ATOM 297 O PRO A 22 -1.216 -3.211 -5.331 1.00 0.00 O ATOM 298 CB PRO A 22 -4.186 -2.429 -4.060 1.00 0.00 C ATOM 299 CG PRO A 22 -3.619 -2.809 -2.735 1.00 0.00 C ATOM 300 CD PRO A 22 -3.461 -4.305 -2.766 1.00 0.00 C ATOM 0 HA PRO A 22 -4.252 -3.695 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.916 -1.408 -4.328 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.275 -2.479 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.660 -2.319 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.281 -2.503 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.599 -4.630 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.334 -4.810 -2.352 1.00 0.00 H new ATOM 308 N SER A 23 -2.540 -1.990 -6.680 1.00 0.00 N ATOM 309 CA SER A 23 -1.428 -1.372 -7.394 1.00 0.00 C ATOM 310 C SER A 23 -0.646 -0.438 -6.476 1.00 0.00 C ATOM 311 O SER A 23 0.585 -0.467 -6.444 1.00 0.00 O ATOM 312 CB SER A 23 -1.942 -0.599 -8.610 1.00 0.00 C ATOM 313 OG SER A 23 -2.878 -1.368 -9.345 1.00 0.00 O ATOM 0 H SER A 23 -3.463 -1.692 -6.997 1.00 0.00 H new ATOM 0 HA SER A 23 -0.760 -2.164 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.407 0.331 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.105 -0.328 -9.253 1.00 0.00 H new ATOM 0 HG SER A 23 -3.193 -0.851 -10.116 1.00 0.00 H new ATOM 319 N CYS A 24 -1.369 0.389 -5.730 1.00 0.00 N ATOM 320 CA CYS A 24 -0.745 1.334 -4.811 1.00 0.00 C ATOM 321 C CYS A 24 0.269 0.631 -3.914 1.00 0.00 C ATOM 322 O CYS A 24 1.265 1.224 -3.501 1.00 0.00 O ATOM 323 CB CYS A 24 -1.807 2.024 -3.954 1.00 0.00 C ATOM 324 SG CYS A 24 -3.195 0.958 -3.500 1.00 0.00 S ATOM 0 H CYS A 24 -2.388 0.424 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.222 2.085 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.338 2.398 -3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.189 2.890 -4.495 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.039 1.630 -2.774 1.00 0.00 H new ATOM 330 N PHE A 25 0.008 -0.638 -3.616 1.00 0.00 N ATOM 331 CA PHE A 25 0.896 -1.422 -2.766 1.00 0.00 C ATOM 332 C PHE A 25 2.305 -1.473 -3.351 1.00 0.00 C ATOM 333 O PHE A 25 2.488 -1.383 -4.566 1.00 0.00 O ATOM 334 CB PHE A 25 0.351 -2.842 -2.595 1.00 0.00 C ATOM 335 CG PHE A 25 1.133 -3.670 -1.615 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.290 -4.323 -2.008 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.709 -3.795 -0.303 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.011 -5.085 -1.109 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.426 -4.557 0.602 1.00 0.00 C ATOM 340 CZ PHE A 25 2.578 -5.202 0.198 1.00 0.00 C ATOM 0 H PHE A 25 -0.811 -1.145 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 25 0.944 -0.939 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.687 -2.787 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.352 -3.342 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.632 -4.235 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.191 -3.292 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.912 -5.589 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.085 -4.647 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.140 -5.797 0.903 1.00 0.00 H new ATOM 350 N LEU A 26 3.296 -1.617 -2.479 1.00 0.00 N ATOM 351 CA LEU A 26 4.689 -1.679 -2.908 1.00 0.00 C ATOM 352 C LEU A 26 5.527 -2.486 -1.921 1.00 0.00 C ATOM 353 O LEU A 26 5.218 -2.547 -0.732 1.00 0.00 O ATOM 354 CB LEU A 26 5.264 -0.268 -3.048 1.00 0.00 C ATOM 355 CG LEU A 26 4.568 0.823 -2.235 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.744 0.574 -0.745 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.105 2.196 -2.614 1.00 0.00 C ATOM 0 H LEU A 26 3.161 -1.693 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 26 4.723 -2.176 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.314 -0.295 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.231 0.014 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 26 3.503 0.795 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.242 1.361 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.311 -0.392 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.806 0.574 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.598 2.960 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.176 2.236 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.926 2.377 -3.674 1.00 0.00 H new ATOM 369 N LYS A 27 6.592 -3.102 -2.424 1.00 0.00 N ATOM 370 CA LYS A 27 7.478 -3.903 -1.586 1.00 0.00 C ATOM 371 C LYS A 27 8.699 -3.095 -1.157 1.00 0.00 C ATOM 372 O LYS A 27 9.611 -2.861 -1.949 1.00 0.00 O ATOM 373 CB LYS A 27 7.924 -5.160 -2.337 1.00 0.00 C ATOM 374 CG LYS A 27 6.799 -6.149 -2.590 1.00 0.00 C ATOM 375 CD LYS A 27 6.086 -5.859 -3.900 1.00 0.00 C ATOM 376 CE LYS A 27 4.880 -6.767 -4.090 1.00 0.00 C ATOM 377 NZ LYS A 27 5.265 -8.083 -4.670 1.00 0.00 N ATOM 0 H LYS A 27 6.862 -3.062 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 27 6.926 -4.196 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.360 -4.867 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.710 -5.655 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.201 -7.162 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.084 -6.106 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.765 -4.817 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.779 -5.994 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.388 -6.923 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.157 -6.279 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.417 -8.674 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.712 -7.936 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.935 -8.560 -4.034 1.00 0.00 H new ATOM 391 N VAL A 28 8.708 -2.672 0.103 1.00 0.00 N ATOM 392 CA VAL A 28 9.818 -1.892 0.639 1.00 0.00 C ATOM 393 C VAL A 28 9.982 -2.126 2.136 1.00 0.00 C ATOM 394 O VAL A 28 9.178 -2.822 2.758 1.00 0.00 O ATOM 395 CB VAL A 28 9.619 -0.385 0.385 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.234 -0.135 -1.066 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.569 0.180 1.329 1.00 0.00 C ATOM 0 H VAL A 28 7.960 -2.856 0.771 1.00 0.00 H new ATOM 0 HA VAL A 28 10.718 -2.225 0.122 1.00 0.00 H new ATOM 0 HB VAL A 28 10.562 0.127 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.098 0.934 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.024 -0.503 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.304 -0.657 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.441 1.245 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.621 -0.334 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.891 0.034 2.360 1.00 0.00 H new ATOM 407 N SER A 29 11.026 -1.540 2.711 1.00 0.00 N ATOM 408 CA SER A 29 11.299 -1.686 4.135 1.00 0.00 C ATOM 409 C SER A 29 10.433 -0.734 4.955 1.00 0.00 C ATOM 410 O SER A 29 9.916 0.255 4.435 1.00 0.00 O ATOM 411 CB SER A 29 12.778 -1.425 4.424 1.00 0.00 C ATOM 412 OG SER A 29 13.170 -2.011 5.653 1.00 0.00 O ATOM 0 H SER A 29 11.698 -0.958 2.211 1.00 0.00 H new ATOM 0 HA SER A 29 11.056 -2.709 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.386 -1.829 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.961 -0.351 4.455 1.00 0.00 H new ATOM 0 HG SER A 29 14.120 -1.831 5.813 1.00 0.00 H new ATOM 418 N ARG A 30 10.280 -1.040 6.239 1.00 0.00 N ATOM 419 CA ARG A 30 9.476 -0.213 7.131 1.00 0.00 C ATOM 420 C ARG A 30 9.856 1.259 6.997 1.00 0.00 C ATOM 421 O ARG A 30 8.991 2.126 6.864 1.00 0.00 O ATOM 422 CB ARG A 30 9.655 -0.666 8.581 1.00 0.00 C ATOM 423 CG ARG A 30 11.088 -0.565 9.078 1.00 0.00 C ATOM 424 CD ARG A 30 11.245 -1.194 10.454 1.00 0.00 C ATOM 425 NE ARG A 30 10.683 -0.353 11.508 1.00 0.00 N ATOM 426 CZ ARG A 30 11.037 -0.442 12.786 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.945 -1.330 13.166 1.00 0.00 N ATOM 428 NH2 ARG A 30 10.481 0.359 13.685 1.00 0.00 N ATOM 0 H ARG A 30 10.702 -1.854 6.685 1.00 0.00 H new ATOM 0 HA ARG A 30 8.430 -0.328 6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.013 -0.063 9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.319 -1.699 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.755 -1.060 8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.387 0.482 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.754 -2.167 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.302 -1.368 10.654 1.00 0.00 H new ATOM 0 HE ARG A 30 9.981 0.340 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.374 -1.947 12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.214 -1.396 14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.782 1.043 13.396 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.752 0.291 14.666 1.00 0.00 H new ATOM 442 N LEU A 31 11.155 1.535 7.033 1.00 0.00 N ATOM 443 CA LEU A 31 11.651 2.903 6.916 1.00 0.00 C ATOM 444 C LEU A 31 11.449 3.436 5.501 1.00 0.00 C ATOM 445 O LEU A 31 10.912 4.527 5.310 1.00 0.00 O ATOM 446 CB LEU A 31 13.133 2.962 7.289 1.00 0.00 C ATOM 447 CG LEU A 31 13.455 2.859 8.780 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.934 2.577 8.988 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.046 4.134 9.503 1.00 0.00 C ATOM 0 H LEU A 31 11.884 0.830 7.142 1.00 0.00 H new ATOM 0 HA LEU A 31 11.084 3.530 7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.650 2.155 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.545 3.899 6.913 1.00 0.00 H new ATOM 0 HG LEU A 31 12.886 2.029 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.144 2.507 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.197 1.636 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.523 3.385 8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.283 4.043 10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.588 4.981 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.974 4.293 9.383 1.00 0.00 H new ATOM 461 N GLU A 32 11.879 2.657 4.514 1.00 0.00 N ATOM 462 CA GLU A 32 11.743 3.051 3.116 1.00 0.00 C ATOM 463 C GLU A 32 10.341 3.583 2.835 1.00 0.00 C ATOM 464 O GLU A 32 10.168 4.748 2.476 1.00 0.00 O ATOM 465 CB GLU A 32 12.045 1.866 2.197 1.00 0.00 C ATOM 466 CG GLU A 32 13.493 1.408 2.249 1.00 0.00 C ATOM 467 CD GLU A 32 14.446 2.416 1.637 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.445 2.556 0.395 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.191 3.066 2.399 1.00 0.00 O ATOM 0 H GLU A 32 12.324 1.750 4.656 1.00 0.00 H new ATOM 0 HA GLU A 32 12.461 3.847 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.399 1.032 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.796 2.140 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.776 1.229 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.589 0.458 1.724 1.00 0.00 H new ATOM 476 N ALA A 33 9.343 2.720 2.999 1.00 0.00 N ATOM 477 CA ALA A 33 7.957 3.103 2.765 1.00 0.00 C ATOM 478 C ALA A 33 7.695 4.531 3.231 1.00 0.00 C ATOM 479 O ALA A 33 6.948 5.274 2.594 1.00 0.00 O ATOM 480 CB ALA A 33 7.016 2.136 3.468 1.00 0.00 C ATOM 0 H ALA A 33 9.469 1.751 3.293 1.00 0.00 H new ATOM 0 HA ALA A 33 7.771 3.059 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.984 2.434 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.176 1.129 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.213 2.151 4.540 1.00 0.00 H new ATOM 486 N GLN A 34 8.312 4.908 4.345 1.00 0.00 N ATOM 487 CA GLN A 34 8.144 6.247 4.897 1.00 0.00 C ATOM 488 C GLN A 34 8.861 7.283 4.038 1.00 0.00 C ATOM 489 O GLN A 34 8.229 8.156 3.443 1.00 0.00 O ATOM 490 CB GLN A 34 8.672 6.301 6.331 1.00 0.00 C ATOM 491 CG GLN A 34 7.958 7.319 7.205 1.00 0.00 C ATOM 492 CD GLN A 34 8.577 8.700 7.118 1.00 0.00 C ATOM 493 OE1 GLN A 34 8.175 9.523 6.295 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.563 8.963 7.969 1.00 0.00 N ATOM 0 H GLN A 34 8.933 4.305 4.884 1.00 0.00 H new ATOM 0 HA GLN A 34 7.079 6.480 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.573 5.314 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.736 6.536 6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.911 7.375 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.978 6.981 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.865 8.252 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.018 9.876 7.956 1.00 0.00 H new ATOM 503 N LEU A 35 10.184 7.181 3.978 1.00 0.00 N ATOM 504 CA LEU A 35 10.989 8.110 3.192 1.00 0.00 C ATOM 505 C LEU A 35 10.449 8.229 1.771 1.00 0.00 C ATOM 506 O LEU A 35 10.620 9.258 1.115 1.00 0.00 O ATOM 507 CB LEU A 35 12.448 7.651 3.160 1.00 0.00 C ATOM 508 CG LEU A 35 12.822 6.684 2.036 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.868 7.410 0.700 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.157 6.017 2.329 1.00 0.00 C ATOM 0 H LEU A 35 10.722 6.464 4.464 1.00 0.00 H new ATOM 0 HA LEU A 35 10.934 9.091 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.084 8.533 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.680 7.176 4.113 1.00 0.00 H new ATOM 0 HG LEU A 35 12.057 5.910 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.136 6.706 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.889 7.840 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.612 8.206 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.407 5.332 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.933 6.778 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.089 5.462 3.265 1.00 0.00 H new ATOM 522 N LEU A 36 9.797 7.172 1.301 1.00 0.00 N ATOM 523 CA LEU A 36 9.229 7.160 -0.043 1.00 0.00 C ATOM 524 C LEU A 36 8.220 8.289 -0.219 1.00 0.00 C ATOM 525 O LEU A 36 8.188 8.950 -1.259 1.00 0.00 O ATOM 526 CB LEU A 36 8.558 5.813 -0.321 1.00 0.00 C ATOM 527 CG LEU A 36 9.463 4.714 -0.879 1.00 0.00 C ATOM 528 CD1 LEU A 36 8.815 3.349 -0.705 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.776 4.975 -2.345 1.00 0.00 C ATOM 0 H LEU A 36 9.648 6.312 1.830 1.00 0.00 H new ATOM 0 HA LEU A 36 10.041 7.310 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.113 5.453 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.741 5.975 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 36 10.399 4.722 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.474 2.580 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.643 3.161 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.864 3.327 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.421 4.183 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.848 4.994 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.283 5.935 -2.444 1.00 0.00 H new ATOM 541 N LEU A 37 7.400 8.507 0.802 1.00 0.00 N ATOM 542 CA LEU A 37 6.391 9.560 0.762 1.00 0.00 C ATOM 543 C LEU A 37 7.034 10.924 0.534 1.00 0.00 C ATOM 544 O LEU A 37 6.781 11.579 -0.477 1.00 0.00 O ATOM 545 CB LEU A 37 5.588 9.574 2.064 1.00 0.00 C ATOM 546 CG LEU A 37 4.889 8.266 2.436 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.651 8.196 3.936 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.576 8.128 1.679 1.00 0.00 C ATOM 0 H LEU A 37 7.413 7.969 1.668 1.00 0.00 H new ATOM 0 HA LEU A 37 5.719 9.352 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.259 9.848 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.834 10.358 1.994 1.00 0.00 H new ATOM 0 HG LEU A 37 5.537 7.437 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.153 7.258 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.606 8.247 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.023 9.032 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.093 7.191 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.921 8.962 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.772 8.131 0.607 1.00 0.00 H new ATOM 560 N GLU A 38 7.870 11.344 1.478 1.00 0.00 N ATOM 561 CA GLU A 38 8.551 12.629 1.379 1.00 0.00 C ATOM 562 C GLU A 38 9.204 12.794 0.009 1.00 0.00 C ATOM 563 O GLU A 38 9.145 13.867 -0.593 1.00 0.00 O ATOM 564 CB GLU A 38 9.608 12.758 2.478 1.00 0.00 C ATOM 565 CG GLU A 38 10.604 11.611 2.502 1.00 0.00 C ATOM 566 CD GLU A 38 11.792 11.888 3.404 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.126 13.077 3.593 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.386 10.919 3.919 1.00 0.00 O ATOM 0 H GLU A 38 8.092 10.813 2.320 1.00 0.00 H new ATOM 0 HA GLU A 38 7.807 13.416 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.149 13.695 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.109 12.815 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.101 10.705 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.958 11.421 1.489 1.00 0.00 H new ATOM 575 N ARG A 39 9.826 11.724 -0.476 1.00 0.00 N ATOM 576 CA ARG A 39 10.491 11.750 -1.773 1.00 0.00 C ATOM 577 C ARG A 39 9.507 12.112 -2.882 1.00 0.00 C ATOM 578 O ARG A 39 9.759 13.016 -3.678 1.00 0.00 O ATOM 579 CB ARG A 39 11.133 10.394 -2.068 1.00 0.00 C ATOM 580 CG ARG A 39 12.566 10.276 -1.575 1.00 0.00 C ATOM 581 CD ARG A 39 13.520 11.086 -2.440 1.00 0.00 C ATOM 582 NE ARG A 39 14.831 11.235 -1.814 1.00 0.00 N ATOM 583 CZ ARG A 39 15.731 12.133 -2.200 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.462 12.958 -3.204 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.902 12.209 -1.581 1.00 0.00 N ATOM 0 H ARG A 39 9.883 10.829 0.010 1.00 0.00 H new ATOM 0 HA ARG A 39 11.269 12.513 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.533 9.610 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.113 10.219 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.627 10.621 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.869 9.229 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.634 10.599 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.093 12.071 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 39 15.069 10.616 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.562 12.904 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.155 13.646 -3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.112 11.578 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.592 12.899 -1.878 1.00 0.00 H new ATOM 599 N TYR A 40 8.387 11.400 -2.926 1.00 0.00 N ATOM 600 CA TYR A 40 7.367 11.644 -3.939 1.00 0.00 C ATOM 601 C TYR A 40 6.055 12.086 -3.296 1.00 0.00 C ATOM 602 O TYR A 40 5.122 11.301 -3.127 1.00 0.00 O ATOM 603 CB TYR A 40 7.137 10.384 -4.776 1.00 0.00 C ATOM 604 CG TYR A 40 8.399 9.839 -5.407 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.275 9.043 -4.679 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.715 10.120 -6.731 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.430 8.544 -5.251 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.865 9.623 -7.311 1.00 0.00 C ATOM 609 CZ TYR A 40 10.720 8.836 -6.567 1.00 0.00 C ATOM 610 OH TYR A 40 11.869 8.340 -7.142 1.00 0.00 O ATOM 0 H TYR A 40 8.162 10.650 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 40 7.721 12.445 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.694 9.614 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.414 10.606 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.049 8.810 -3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.050 10.738 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.102 7.929 -4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.094 9.849 -8.342 1.00 0.00 H new ATOM 0 HH TYR A 40 11.923 8.638 -8.074 1.00 0.00 H new ATOM 620 N PRO A 41 5.983 13.374 -2.929 1.00 0.00 N ATOM 621 CA PRO A 41 4.791 13.951 -2.300 1.00 0.00 C ATOM 622 C PRO A 41 3.619 14.059 -3.268 1.00 0.00 C ATOM 623 O PRO A 41 2.475 14.243 -2.853 1.00 0.00 O ATOM 624 CB PRO A 41 5.258 15.343 -1.868 1.00 0.00 C ATOM 625 CG PRO A 41 6.378 15.671 -2.793 1.00 0.00 C ATOM 626 CD PRO A 41 7.058 14.365 -3.101 1.00 0.00 C ATOM 0 HA PRO A 41 4.424 13.335 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.452 16.073 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.589 15.345 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.007 16.142 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.072 16.373 -2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.460 14.350 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.891 14.176 -2.424 1.00 0.00 H new ATOM 634 N GLU A 42 3.911 13.943 -4.560 1.00 0.00 N ATOM 635 CA GLU A 42 2.879 14.027 -5.586 1.00 0.00 C ATOM 636 C GLU A 42 2.275 12.655 -5.865 1.00 0.00 C ATOM 637 O GLU A 42 1.129 12.547 -6.305 1.00 0.00 O ATOM 638 CB GLU A 42 3.459 14.613 -6.877 1.00 0.00 C ATOM 639 CG GLU A 42 4.669 13.855 -7.398 1.00 0.00 C ATOM 640 CD GLU A 42 4.945 14.135 -8.863 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.387 13.417 -9.719 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.720 15.070 -9.153 1.00 0.00 O ATOM 0 H GLU A 42 4.853 13.791 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 42 2.090 14.684 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.685 14.617 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.739 15.652 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.545 14.126 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.511 12.785 -7.260 1.00 0.00 H new ATOM 649 N CYS A 43 3.052 11.609 -5.606 1.00 0.00 N ATOM 650 CA CYS A 43 2.594 10.243 -5.830 1.00 0.00 C ATOM 651 C CYS A 43 1.367 9.934 -4.978 1.00 0.00 C ATOM 652 O CYS A 43 0.343 9.478 -5.486 1.00 0.00 O ATOM 653 CB CYS A 43 3.712 9.249 -5.513 1.00 0.00 C ATOM 654 SG CYS A 43 4.799 8.890 -6.913 1.00 0.00 S ATOM 0 H CYS A 43 4.002 11.681 -5.241 1.00 0.00 H new ATOM 0 HA CYS A 43 2.319 10.147 -6.880 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.312 9.643 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.267 8.317 -5.164 1.00 0.00 H new ATOM 0 HG CYS A 43 4.438 7.771 -7.467 1.00 0.00 H new ATOM 660 N GLY A 44 1.478 10.183 -3.677 1.00 0.00 N ATOM 661 CA GLY A 44 0.371 9.924 -2.774 1.00 0.00 C ATOM 662 C GLY A 44 0.812 9.836 -1.326 1.00 0.00 C ATOM 663 O GLY A 44 1.989 10.015 -1.018 1.00 0.00 O ATOM 0 H GLY A 44 2.315 10.560 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.371 10.716 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.116 8.992 -3.059 1.00 0.00 H new ATOM 667 N ASN A 45 -0.136 9.562 -0.437 1.00 0.00 N ATOM 668 CA ASN A 45 0.160 9.454 0.988 1.00 0.00 C ATOM 669 C ASN A 45 -0.179 8.061 1.509 1.00 0.00 C ATOM 670 O ASN A 45 0.578 7.474 2.283 1.00 0.00 O ATOM 671 CB ASN A 45 -0.620 10.509 1.774 1.00 0.00 C ATOM 672 CG ASN A 45 -2.028 10.057 2.108 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.161 9.279 3.176 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -2.985 10.404 1.415 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.116 9.411 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 45 1.228 9.625 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.087 10.739 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.665 11.431 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.836 11.003 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.927 10.093 1.653 1.00 0.00 H new ATOM 681 N LEU A 46 -1.322 7.537 1.079 1.00 0.00 N ATOM 682 CA LEU A 46 -1.762 6.212 1.502 1.00 0.00 C ATOM 683 C LEU A 46 -1.002 5.122 0.754 1.00 0.00 C ATOM 684 O LEU A 46 -1.288 4.836 -0.410 1.00 0.00 O ATOM 685 CB LEU A 46 -3.265 6.054 1.268 1.00 0.00 C ATOM 686 CG LEU A 46 -3.783 4.618 1.177 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.928 4.013 2.564 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.110 4.576 0.434 1.00 0.00 C ATOM 0 H LEU A 46 -1.960 8.009 0.438 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.553 6.109 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.793 6.559 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.525 6.572 0.345 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.058 4.026 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.298 2.991 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.958 4.008 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.632 4.606 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.464 3.546 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.843 5.184 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.975 4.968 -0.574 1.00 0.00 H new ATOM 700 N LEU A 47 -0.034 4.513 1.429 1.00 0.00 N ATOM 701 CA LEU A 47 0.766 3.451 0.830 1.00 0.00 C ATOM 702 C LEU A 47 0.770 2.207 1.714 1.00 0.00 C ATOM 703 O LEU A 47 0.999 2.290 2.920 1.00 0.00 O ATOM 704 CB LEU A 47 2.201 3.933 0.603 1.00 0.00 C ATOM 705 CG LEU A 47 3.155 3.785 1.789 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.669 2.358 1.885 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.313 4.764 1.666 1.00 0.00 C ATOM 0 H LEU A 47 0.216 4.737 2.392 1.00 0.00 H new ATOM 0 HA LEU A 47 0.320 3.191 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.617 3.386 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.169 4.984 0.317 1.00 0.00 H new ATOM 0 HG LEU A 47 2.607 4.014 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.346 2.272 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.829 1.677 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.201 2.101 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.982 4.645 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.860 4.566 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.927 5.783 1.647 1.00 0.00 H new ATOM 719 N LEU A 48 0.518 1.053 1.104 1.00 0.00 N ATOM 720 CA LEU A 48 0.494 -0.208 1.834 1.00 0.00 C ATOM 721 C LEU A 48 1.814 -0.957 1.672 1.00 0.00 C ATOM 722 O LEU A 48 2.208 -1.305 0.559 1.00 0.00 O ATOM 723 CB LEU A 48 -0.664 -1.081 1.345 1.00 0.00 C ATOM 724 CG LEU A 48 -2.067 -0.515 1.557 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.393 0.519 0.490 1.00 0.00 C ATOM 726 CD2 LEU A 48 -3.100 -1.631 1.552 1.00 0.00 C ATOM 0 H LEU A 48 0.328 0.966 0.106 1.00 0.00 H new ATOM 0 HA LEU A 48 0.352 0.015 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.527 -1.268 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.603 -2.046 1.849 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.096 -0.025 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.396 0.911 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.672 1.335 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.345 0.054 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.093 -1.208 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.070 -2.150 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.879 -2.335 2.354 1.00 0.00 H new ATOM 738 N ARG A 49 2.490 -1.202 2.789 1.00 0.00 N ATOM 739 CA ARG A 49 3.765 -1.910 2.770 1.00 0.00 C ATOM 740 C ARG A 49 3.637 -3.277 3.435 1.00 0.00 C ATOM 741 O ARG A 49 2.837 -3.479 4.349 1.00 0.00 O ATOM 742 CB ARG A 49 4.841 -1.084 3.478 1.00 0.00 C ATOM 743 CG ARG A 49 4.625 -0.962 4.978 1.00 0.00 C ATOM 744 CD ARG A 49 5.903 -0.551 5.693 1.00 0.00 C ATOM 745 NE ARG A 49 6.748 -1.700 6.005 1.00 0.00 N ATOM 746 CZ ARG A 49 6.571 -2.475 7.069 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.583 -2.226 7.918 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.382 -3.502 7.286 1.00 0.00 N ATOM 0 H ARG A 49 2.177 -0.921 3.718 1.00 0.00 H new ATOM 0 HA ARG A 49 4.056 -2.057 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.815 -1.538 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.868 -0.086 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.844 -0.228 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.275 -1.915 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.459 0.149 5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.650 -0.026 6.614 1.00 0.00 H new ATOM 0 HE ARG A 49 7.516 -1.920 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.957 -1.438 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.449 -2.823 8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.143 -3.697 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.245 -4.096 8.104 1.00 0.00 H new ATOM 762 N PRO A 50 4.444 -4.241 2.966 1.00 0.00 N ATOM 763 CA PRO A 50 4.440 -5.605 3.501 1.00 0.00 C ATOM 764 C PRO A 50 5.012 -5.677 4.913 1.00 0.00 C ATOM 765 O PRO A 50 5.926 -4.929 5.260 1.00 0.00 O ATOM 766 CB PRO A 50 5.334 -6.373 2.523 1.00 0.00 C ATOM 767 CG PRO A 50 6.233 -5.337 1.940 1.00 0.00 C ATOM 768 CD PRO A 50 5.423 -4.072 1.879 1.00 0.00 C ATOM 0 HA PRO A 50 3.430 -6.007 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.903 -7.150 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.744 -6.866 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.122 -5.201 2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.574 -5.630 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.044 -3.189 2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.934 -3.954 0.912 1.00 0.00 H new ATOM 776 N SER A 51 4.469 -6.581 5.721 1.00 0.00 N ATOM 777 CA SER A 51 4.924 -6.748 7.097 1.00 0.00 C ATOM 778 C SER A 51 6.054 -7.769 7.175 1.00 0.00 C ATOM 779 O SER A 51 6.223 -8.595 6.279 1.00 0.00 O ATOM 780 CB SER A 51 3.762 -7.186 7.990 1.00 0.00 C ATOM 781 OG SER A 51 3.953 -6.749 9.326 1.00 0.00 O ATOM 0 H SER A 51 3.714 -7.209 5.447 1.00 0.00 H new ATOM 0 HA SER A 51 5.301 -5.788 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.828 -6.781 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.672 -8.272 7.969 1.00 0.00 H new ATOM 0 HG SER A 51 3.196 -7.040 9.877 1.00 0.00 H new ATOM 835 N GLY A 57 -0.978 -10.126 7.634 1.00 0.00 N ATOM 836 CA GLY A 57 -1.451 -8.998 6.854 1.00 0.00 C ATOM 837 C GLY A 57 -0.337 -8.033 6.498 1.00 0.00 C ATOM 838 O GLY A 57 0.840 -8.330 6.700 1.00 0.00 O ATOM 0 HA2 GLY A 57 -1.918 -9.363 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.221 -8.469 7.416 1.00 0.00 H new ATOM 842 N VAL A 58 -0.709 -6.874 5.962 1.00 0.00 N ATOM 843 CA VAL A 58 0.268 -5.863 5.575 1.00 0.00 C ATOM 844 C VAL A 58 0.036 -4.559 6.330 1.00 0.00 C ATOM 845 O VAL A 58 -1.075 -4.280 6.781 1.00 0.00 O ATOM 846 CB VAL A 58 0.216 -5.583 4.061 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.426 -6.867 3.274 1.00 0.00 C ATOM 848 CG2 VAL A 58 -1.104 -4.927 3.686 1.00 0.00 C ATOM 0 H VAL A 58 -1.679 -6.612 5.786 1.00 0.00 H new ATOM 0 HA VAL A 58 1.251 -6.258 5.830 1.00 0.00 H new ATOM 0 HB VAL A 58 1.022 -4.894 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.386 -6.650 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.399 -7.291 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.357 -7.582 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.124 -4.736 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.928 -5.589 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.208 -3.985 4.224 1.00 0.00 H new ATOM 858 N SER A 59 1.093 -3.763 6.463 1.00 0.00 N ATOM 859 CA SER A 59 1.004 -2.489 7.167 1.00 0.00 C ATOM 860 C SER A 59 0.645 -1.360 6.204 1.00 0.00 C ATOM 861 O SER A 59 1.049 -1.368 5.042 1.00 0.00 O ATOM 862 CB SER A 59 2.330 -2.176 7.865 1.00 0.00 C ATOM 863 OG SER A 59 2.363 -2.730 9.169 1.00 0.00 O ATOM 0 H SER A 59 2.019 -3.978 6.093 1.00 0.00 H new ATOM 0 HA SER A 59 0.216 -2.569 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.157 -2.573 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.469 -1.096 7.922 1.00 0.00 H new ATOM 0 HG SER A 59 3.221 -2.518 9.593 1.00 0.00 H new ATOM 869 N VAL A 60 -0.116 -0.390 6.698 1.00 0.00 N ATOM 870 CA VAL A 60 -0.531 0.746 5.885 1.00 0.00 C ATOM 871 C VAL A 60 0.023 2.053 6.441 1.00 0.00 C ATOM 872 O VAL A 60 -0.358 2.489 7.528 1.00 0.00 O ATOM 873 CB VAL A 60 -2.066 0.848 5.801 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.477 2.002 4.901 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.659 -0.464 5.305 1.00 0.00 C ATOM 0 H VAL A 60 -0.458 -0.368 7.659 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.130 0.580 4.885 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.456 1.043 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.565 2.058 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.083 2.935 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.079 1.842 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.744 -0.376 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.264 -0.691 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.394 -1.266 5.994 1.00 0.00 H new ATOM 885 N THR A 61 0.927 2.674 5.690 1.00 0.00 N ATOM 886 CA THR A 61 1.535 3.930 6.107 1.00 0.00 C ATOM 887 C THR A 61 0.838 5.122 5.460 1.00 0.00 C ATOM 888 O THR A 61 0.972 5.356 4.259 1.00 0.00 O ATOM 889 CB THR A 61 3.034 3.973 5.755 1.00 0.00 C ATOM 890 OG1 THR A 61 3.709 2.857 6.345 1.00 0.00 O ATOM 891 CG2 THR A 61 3.668 5.269 6.241 1.00 0.00 C ATOM 0 H THR A 61 1.254 2.326 4.789 1.00 0.00 H new ATOM 0 HA THR A 61 1.421 3.991 7.189 1.00 0.00 H new ATOM 0 HB THR A 61 3.130 3.924 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.661 2.891 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.726 5.276 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.172 6.116 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.560 5.344 7.323 1.00 0.00 H new ATOM 899 N THR A 62 0.092 5.873 6.264 1.00 0.00 N ATOM 900 CA THR A 62 -0.627 7.040 5.769 1.00 0.00 C ATOM 901 C THR A 62 -0.267 8.287 6.568 1.00 0.00 C ATOM 902 O THR A 62 -0.258 8.267 7.799 1.00 0.00 O ATOM 903 CB THR A 62 -2.151 6.828 5.830 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.582 6.746 7.193 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.552 5.559 5.090 1.00 0.00 C ATOM 0 H THR A 62 -0.030 5.694 7.261 1.00 0.00 H new ATOM 0 HA THR A 62 -0.328 7.178 4.730 1.00 0.00 H new ATOM 0 HB THR A 62 -2.632 7.679 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.904 7.148 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.633 5.431 5.147 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.250 5.636 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.060 4.700 5.547 1.00 0.00 H new ATOM 913 N ARG A 63 0.030 9.372 5.860 1.00 0.00 N ATOM 914 CA ARG A 63 0.391 10.629 6.504 1.00 0.00 C ATOM 915 C ARG A 63 -0.277 11.810 5.805 1.00 0.00 C ATOM 916 O ARG A 63 -0.569 11.753 4.611 1.00 0.00 O ATOM 917 CB ARG A 63 1.910 10.812 6.498 1.00 0.00 C ATOM 918 CG ARG A 63 2.476 11.154 5.129 1.00 0.00 C ATOM 919 CD ARG A 63 3.880 11.728 5.234 1.00 0.00 C ATOM 920 NE ARG A 63 4.266 12.458 4.029 1.00 0.00 N ATOM 921 CZ ARG A 63 3.791 13.658 3.713 1.00 0.00 C ATOM 922 NH1 ARG A 63 2.920 14.261 4.509 1.00 0.00 N ATOM 923 NH2 ARG A 63 4.190 14.257 2.598 1.00 0.00 N ATOM 0 H ARG A 63 0.028 9.406 4.841 1.00 0.00 H new ATOM 0 HA ARG A 63 0.040 10.594 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.175 11.603 7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.379 9.896 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.493 10.259 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.824 11.873 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.935 12.395 6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.590 10.920 5.411 1.00 0.00 H new ATOM 0 HE ARG A 63 4.937 12.023 3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.612 13.804 5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.557 15.182 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.861 13.796 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.825 15.178 2.355 1.00 0.00 H new ATOM 937 N GLN A 64 -0.517 12.878 6.559 1.00 0.00 N ATOM 938 CA GLN A 64 -1.151 14.072 6.011 1.00 0.00 C ATOM 939 C GLN A 64 -0.570 15.333 6.639 1.00 0.00 C ATOM 940 O GLN A 64 0.113 15.273 7.661 1.00 0.00 O ATOM 941 CB GLN A 64 -2.663 14.022 6.244 1.00 0.00 C ATOM 942 CG GLN A 64 -3.049 13.587 7.647 1.00 0.00 C ATOM 943 CD GLN A 64 -3.169 14.753 8.608 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.027 15.711 8.274 1.00 0.00 O flip ATOM 945 NE2 GLN A 64 -2.500 14.793 9.641 1.00 0.00 N flip ATOM 0 H GLN A 64 -0.282 12.941 7.550 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.955 14.099 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.085 15.008 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.110 13.337 5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.999 13.053 7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.304 12.886 8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.853 14.036 9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.593 15.584 10.279 1.00 0.00 H new ATOM 954 N MET A 65 -0.845 16.477 6.019 1.00 0.00 N ATOM 955 CA MET A 65 -0.349 17.755 6.518 1.00 0.00 C ATOM 956 C MET A 65 -1.351 18.390 7.476 1.00 0.00 C ATOM 957 O MET A 65 -2.512 18.604 7.124 1.00 0.00 O ATOM 958 CB MET A 65 -0.064 18.705 5.354 1.00 0.00 C ATOM 959 CG MET A 65 0.937 19.797 5.692 1.00 0.00 C ATOM 960 SD MET A 65 2.616 19.168 5.878 1.00 0.00 S ATOM 961 CE MET A 65 3.257 20.277 7.131 1.00 0.00 C ATOM 0 H MET A 65 -1.408 16.545 5.171 1.00 0.00 H new ATOM 0 HA MET A 65 0.578 17.570 7.061 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.312 18.128 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.999 19.166 5.035 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.922 20.554 4.908 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.633 20.289 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.320 20.084 7.278 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.116 21.309 6.810 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.725 20.113 8.068 1.00 0.00 H new ATOM 971 N HIS A 66 -0.897 18.691 8.688 1.00 0.00 N ATOM 972 CA HIS A 66 -1.755 19.304 9.697 1.00 0.00 C ATOM 973 C HIS A 66 -0.946 20.211 10.620 1.00 0.00 C ATOM 974 O HIS A 66 0.180 19.886 10.993 1.00 0.00 O ATOM 975 CB HIS A 66 -2.464 18.225 10.516 1.00 0.00 C ATOM 976 CG HIS A 66 -3.782 18.667 11.075 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.108 19.745 11.824 1.00 0.00 N flip ATOM 978 CD2 HIS A 66 -4.954 17.965 10.883 1.00 0.00 C flip ATOM 979 CE1 HIS A 66 -5.459 19.677 12.069 1.00 0.00 C flip ATOM 980 NE2 HIS A 66 -5.944 18.595 11.489 1.00 0.00 N flip ATOM 0 H HIS A 66 0.060 18.521 8.996 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.502 19.910 9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.621 17.348 9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.815 17.918 11.336 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.047 17.045 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.030 20.392 12.642 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.919 18.296 11.506 1.00 0.00 H new ATOM 989 N ASN A 67 -1.529 21.348 10.983 1.00 0.00 N ATOM 990 CA ASN A 67 -0.863 22.303 11.861 1.00 0.00 C ATOM 991 C ASN A 67 0.608 22.453 11.484 1.00 0.00 C ATOM 992 O ASN A 67 1.452 22.731 12.334 1.00 0.00 O ATOM 993 CB ASN A 67 -0.984 21.857 13.320 1.00 0.00 C ATOM 994 CG ASN A 67 -0.741 20.369 13.491 1.00 0.00 C ATOM 995 OD1 ASN A 67 -1.517 19.543 13.012 1.00 0.00 O ATOM 996 ND2 ASN A 67 0.341 20.022 14.178 1.00 0.00 N ATOM 0 H ASN A 67 -2.462 21.631 10.683 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.351 23.270 11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.269 22.412 13.927 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.978 22.105 13.692 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.556 19.036 14.326 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.957 20.741 14.557 1.00 0.00 H new ATOM 1003 N GLY A 68 0.907 22.266 10.201 1.00 0.00 N ATOM 1004 CA GLY A 68 2.276 22.387 9.734 1.00 0.00 C ATOM 1005 C GLY A 68 3.227 21.478 10.487 1.00 0.00 C ATOM 1006 O GLY A 68 4.341 21.877 10.827 1.00 0.00 O ATOM 0 H GLY A 68 0.226 22.033 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.316 22.150 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.604 23.421 9.843 1.00 0.00 H new ATOM 1010 N THR A 69 2.788 20.251 10.748 1.00 0.00 N ATOM 1011 CA THR A 69 3.606 19.283 11.468 1.00 0.00 C ATOM 1012 C THR A 69 3.751 17.988 10.676 1.00 0.00 C ATOM 1013 O THR A 69 2.996 17.735 9.738 1.00 0.00 O ATOM 1014 CB THR A 69 3.010 18.961 12.851 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.052 18.578 13.756 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.982 17.845 12.751 1.00 0.00 C ATOM 0 H THR A 69 1.870 19.904 10.471 1.00 0.00 H new ATOM 0 HA THR A 69 4.588 19.737 11.601 1.00 0.00 H new ATOM 0 HB THR A 69 2.514 19.856 13.226 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.665 18.377 14.634 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.575 17.635 13.740 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.176 18.152 12.085 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.457 16.947 12.356 1.00 0.00 H new ATOM 1024 N HIS A 70 4.727 17.171 11.060 1.00 0.00 N ATOM 1025 CA HIS A 70 4.970 15.901 10.385 1.00 0.00 C ATOM 1026 C HIS A 70 4.418 14.738 11.203 1.00 0.00 C ATOM 1027 O HIS A 70 4.976 14.371 12.236 1.00 0.00 O ATOM 1028 CB HIS A 70 6.467 15.705 10.146 1.00 0.00 C ATOM 1029 CG HIS A 70 7.297 15.855 11.384 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.639 14.793 12.195 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.855 16.953 11.948 1.00 0.00 C ATOM 1032 CE1 HIS A 70 8.370 15.231 13.204 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.516 16.537 13.078 1.00 0.00 N ATOM 0 H HIS A 70 5.362 17.366 11.834 1.00 0.00 H new ATOM 0 HA HIS A 70 4.456 15.924 9.424 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.632 14.713 9.726 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.805 16.427 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.792 17.966 11.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.779 14.624 13.998 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.035 17.140 13.716 1.00 0.00 H new ATOM 1042 N VAL A 71 3.315 14.162 10.733 1.00 0.00 N ATOM 1043 CA VAL A 71 2.686 13.040 11.420 1.00 0.00 C ATOM 1044 C VAL A 71 2.540 11.839 10.491 1.00 0.00 C ATOM 1045 O VAL A 71 2.092 11.973 9.353 1.00 0.00 O ATOM 1046 CB VAL A 71 1.299 13.423 11.968 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.669 12.247 12.699 1.00 0.00 C ATOM 1048 CG2 VAL A 71 1.404 14.634 12.882 1.00 0.00 C ATOM 0 H VAL A 71 2.839 14.454 9.879 1.00 0.00 H new ATOM 0 HA VAL A 71 3.336 12.774 12.253 1.00 0.00 H new ATOM 0 HB VAL A 71 0.656 13.684 11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.311 12.537 13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.558 11.409 12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.308 11.951 13.531 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.415 14.891 13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.064 14.403 13.718 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.809 15.478 12.323 1.00 0.00 H new ATOM 1058 N VAL A 72 2.921 10.665 10.986 1.00 0.00 N ATOM 1059 CA VAL A 72 2.831 9.439 10.202 1.00 0.00 C ATOM 1060 C VAL A 72 2.121 8.339 10.982 1.00 0.00 C ATOM 1061 O VAL A 72 2.647 7.826 11.969 1.00 0.00 O ATOM 1062 CB VAL A 72 4.226 8.938 9.782 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.107 7.717 8.883 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.004 10.046 9.089 1.00 0.00 C ATOM 0 H VAL A 72 3.295 10.538 11.926 1.00 0.00 H new ATOM 0 HA VAL A 72 2.254 9.676 9.308 1.00 0.00 H new ATOM 0 HB VAL A 72 4.773 8.647 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.102 7.378 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.592 6.920 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.541 7.978 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.987 9.674 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.462 10.370 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.121 10.889 9.770 1.00 0.00 H new ATOM 1074 N ARG A 73 0.922 7.981 10.532 1.00 0.00 N ATOM 1075 CA ARG A 73 0.139 6.941 11.187 1.00 0.00 C ATOM 1076 C ARG A 73 0.292 5.607 10.462 1.00 0.00 C ATOM 1077 O ARG A 73 0.543 5.568 9.258 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.336 7.342 11.239 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.124 6.624 12.323 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.320 7.446 12.779 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.171 6.704 13.705 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.937 6.619 15.011 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.883 7.225 15.540 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.759 5.926 15.790 1.00 0.00 N ATOM 0 H ARG A 73 0.472 8.396 9.716 1.00 0.00 H new ATOM 0 HA ARG A 73 0.512 6.825 12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.406 8.417 11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.794 7.136 10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.466 5.659 11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.474 6.422 13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.970 8.359 13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.905 7.747 11.910 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.989 6.225 13.329 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.249 7.758 14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.706 7.158 16.542 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.571 5.458 15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.579 5.861 16.792 1.00 0.00 H new ATOM 1098 N HIS A 74 0.137 4.515 11.205 1.00 0.00 N ATOM 1099 CA HIS A 74 0.257 3.180 10.633 1.00 0.00 C ATOM 1100 C HIS A 74 -0.899 2.290 11.083 1.00 0.00 C ATOM 1101 O HIS A 74 -1.051 2.007 12.271 1.00 0.00 O ATOM 1102 CB HIS A 74 1.589 2.547 11.036 1.00 0.00 C ATOM 1103 CG HIS A 74 1.737 2.354 12.514 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.481 1.156 13.147 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.121 3.215 13.485 1.00 0.00 C ATOM 1106 CE1 HIS A 74 1.698 1.290 14.443 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.089 2.530 14.674 1.00 0.00 N ATOM 0 H HIS A 74 -0.072 4.529 12.203 1.00 0.00 H new ATOM 0 HA HIS A 74 0.221 3.272 9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.688 1.581 10.540 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.404 3.175 10.676 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.401 4.249 13.349 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.576 0.517 15.187 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.328 2.916 15.587 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.711 1.854 10.126 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.854 1.001 10.424 1.00 0.00 C ATOM 1118 C TYR A 75 -2.485 -0.473 10.283 1.00 0.00 C ATOM 1119 O TYR A 75 -1.487 -0.818 9.652 1.00 0.00 O ATOM 1120 CB TYR A 75 -4.023 1.336 9.497 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.588 2.722 9.712 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.029 3.826 9.080 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.681 2.927 10.545 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.541 5.096 9.275 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -6.200 4.191 10.743 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.627 5.273 10.107 1.00 0.00 C ATOM 1127 OH TYR A 75 -6.141 6.534 10.302 1.00 0.00 O ATOM 0 H TYR A 75 -1.598 2.078 9.137 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.153 1.185 11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.693 1.244 8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.815 0.603 9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.181 3.690 8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.132 2.083 11.046 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.093 5.944 8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.051 4.332 11.393 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.904 6.485 10.915 1.00 0.00 H new ATOM 1137 N LYS A 76 -3.301 -1.340 10.875 1.00 0.00 N ATOM 1138 CA LYS A 76 -3.063 -2.778 10.815 1.00 0.00 C ATOM 1139 C LYS A 76 -4.331 -3.521 10.409 1.00 0.00 C ATOM 1140 O LYS A 76 -5.436 -3.146 10.802 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.571 -3.291 12.170 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.870 -4.636 12.093 1.00 0.00 C ATOM 1143 CD LYS A 76 -1.787 -5.301 13.456 1.00 0.00 C ATOM 1144 CE LYS A 76 -0.660 -4.716 14.294 1.00 0.00 C ATOM 1145 NZ LYS A 76 -0.146 -5.694 15.292 1.00 0.00 N ATOM 0 H LYS A 76 -4.132 -1.072 11.401 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.296 -2.964 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.888 -2.559 12.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.420 -3.372 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.405 -5.287 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.866 -4.501 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.734 -5.177 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.630 -6.372 13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.154 -4.403 13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.016 -3.824 14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.621 -5.257 15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.916 -5.974 15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.217 -6.535 14.799 1.00 0.00 H new ATOM 1159 N VAL A 77 -4.165 -4.579 9.621 1.00 0.00 N ATOM 1160 CA VAL A 77 -5.296 -5.377 9.164 1.00 0.00 C ATOM 1161 C VAL A 77 -5.063 -6.861 9.423 1.00 0.00 C ATOM 1162 O VAL A 77 -4.084 -7.438 8.951 1.00 0.00 O ATOM 1163 CB VAL A 77 -5.562 -5.165 7.662 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.720 -6.036 7.196 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.837 -3.698 7.371 1.00 0.00 C ATOM 0 H VAL A 77 -3.258 -4.903 9.286 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.166 -5.045 9.730 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.671 -5.460 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.893 -5.873 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.478 -7.085 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.619 -5.775 7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.023 -3.567 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.712 -3.373 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.974 -3.101 7.665 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.969 -7.474 10.178 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.864 -8.892 10.499 1.00 0.00 C ATOM 1177 C LYS A 78 -6.198 -9.752 9.284 1.00 0.00 C ATOM 1178 O LYS A 78 -6.712 -9.255 8.283 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.799 -9.244 11.659 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.150 -9.109 13.025 1.00 0.00 C ATOM 1181 CD LYS A 78 -5.913 -7.654 13.390 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.164 -7.014 13.975 1.00 0.00 C ATOM 1183 NZ LYS A 78 -7.342 -7.358 15.413 1.00 0.00 N ATOM 0 H LYS A 78 -6.784 -7.010 10.579 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.835 -9.096 10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.676 -8.598 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.151 -10.268 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.786 -9.575 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.201 -9.646 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.098 -7.587 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.601 -7.102 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.103 -5.931 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.037 -7.343 13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.205 -6.903 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.425 -8.390 15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.520 -7.022 15.955 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.904 -11.044 9.382 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.173 -11.974 8.291 1.00 0.00 C ATOM 1199 C ARG A 79 -7.093 -13.101 8.751 1.00 0.00 C ATOM 1200 O ARG A 79 -6.649 -14.053 9.390 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.865 -12.555 7.754 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.922 -12.926 6.280 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.592 -14.275 6.071 1.00 0.00 C ATOM 1204 NE ARG A 79 -4.730 -15.382 6.470 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.088 -16.659 6.393 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -6.287 -16.988 5.931 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.247 -17.611 6.776 1.00 0.00 N ATOM 0 H ARG A 79 -5.480 -11.471 10.205 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.672 -11.424 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.066 -11.830 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.606 -13.441 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.468 -12.158 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.912 -12.953 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.518 -14.312 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.862 -14.387 5.021 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.800 -15.163 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.936 -16.260 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.560 -17.969 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.323 -17.363 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.524 -18.591 6.716 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.375 -12.984 8.422 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.356 -13.993 8.802 1.00 0.00 C ATOM 1223 C GLU A 80 -9.966 -14.653 7.568 1.00 0.00 C ATOM 1224 O GLU A 80 -11.001 -14.218 7.066 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.461 -13.366 9.656 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.446 -14.377 10.215 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.944 -15.041 11.483 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -10.228 -16.059 11.376 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.268 -14.544 12.582 1.00 0.00 O ATOM 0 H GLU A 80 -8.759 -12.201 7.893 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.844 -14.758 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.005 -12.821 10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.004 -12.637 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.394 -13.880 10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.643 -15.141 9.463 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.313 -15.707 7.086 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.805 -16.410 5.915 1.00 0.00 C ATOM 1238 C GLY A 81 -9.577 -15.631 4.634 1.00 0.00 C ATOM 1239 O GLY A 81 -8.656 -14.822 4.529 1.00 0.00 O ATOM 0 H GLY A 81 -8.454 -16.086 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.310 -17.378 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.871 -16.605 6.033 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.431 -15.877 3.629 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.339 -15.203 2.330 1.00 0.00 C ATOM 1245 C PRO A 82 -10.708 -13.726 2.414 1.00 0.00 C ATOM 1246 O PRO A 82 -10.631 -12.999 1.425 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.351 -15.960 1.466 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.334 -16.519 2.436 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.553 -16.828 3.683 1.00 0.00 C ATOM 0 HA PRO A 82 -9.324 -15.218 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.835 -15.296 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.868 -16.751 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.130 -15.803 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.807 -17.417 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.156 -16.687 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.204 -17.861 3.693 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.110 -13.289 3.603 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.490 -11.899 3.819 1.00 0.00 C ATOM 1259 C LYS A 83 -10.449 -11.174 4.666 1.00 0.00 C ATOM 1260 O LYS A 83 -9.605 -11.806 5.301 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.858 -11.822 4.498 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.956 -12.654 5.765 1.00 0.00 C ATOM 1263 CD LYS A 83 -14.236 -12.360 6.529 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.380 -13.264 7.744 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.922 -14.602 7.379 1.00 0.00 N ATOM 0 H LYS A 83 -11.181 -13.879 4.432 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.546 -11.410 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.077 -10.782 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.622 -12.154 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.919 -13.713 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.096 -12.450 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.240 -11.318 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.094 -12.495 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.409 -13.384 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.039 -12.791 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.005 -15.188 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.860 -14.490 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.280 -15.064 6.704 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.515 -9.847 4.670 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.577 -9.039 5.439 1.00 0.00 C ATOM 1281 C TYR A 84 -10.311 -8.175 6.460 1.00 0.00 C ATOM 1282 O TYR A 84 -11.111 -7.311 6.100 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.751 -8.152 4.505 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.781 -8.922 3.637 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.846 -9.780 4.203 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.801 -8.793 2.255 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -5.957 -10.487 3.414 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.918 -9.497 1.459 1.00 0.00 C ATOM 1289 CZ TYR A 84 -5.997 -10.341 2.043 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.115 -11.043 1.254 1.00 0.00 O ATOM 0 H TYR A 84 -11.208 -9.309 4.150 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.909 -9.714 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.427 -7.585 3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.196 -7.429 5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.813 -9.897 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.519 -8.131 1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.236 -11.150 3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.949 -9.387 0.385 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.276 -10.828 0.312 1.00 0.00 H new ATOM 1300 N VAL A 85 -10.033 -8.415 7.738 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.664 -7.659 8.812 1.00 0.00 C ATOM 1302 C VAL A 85 -9.728 -6.584 9.352 1.00 0.00 C ATOM 1303 O VAL A 85 -8.695 -6.889 9.949 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.091 -8.581 9.970 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.143 -9.575 9.502 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -9.883 -9.303 10.549 1.00 0.00 C ATOM 0 H VAL A 85 -9.375 -9.127 8.054 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.549 -7.185 8.388 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.531 -7.968 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.432 -10.218 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.018 -9.035 9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.734 -10.186 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.203 -9.950 11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.412 -9.905 9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.167 -8.572 10.924 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.097 -5.326 9.139 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.291 -4.205 9.606 1.00 0.00 C ATOM 1318 C ILE A 86 -9.190 -4.195 11.128 1.00 0.00 C ATOM 1319 O ILE A 86 -10.063 -4.718 11.821 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.871 -2.859 9.132 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.930 -2.813 7.604 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -9.038 -1.704 9.670 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.635 -1.589 7.063 1.00 0.00 C ATOM 0 H ILE A 86 -10.949 -5.057 8.646 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.296 -4.333 9.180 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.885 -2.762 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.915 -2.842 7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.439 -3.706 7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.460 -0.760 9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.043 -1.729 10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.013 -1.796 9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.639 -1.623 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.661 -1.569 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.113 -0.692 7.396 1.00 0.00 H new ATOM 1335 N ASP A 87 -8.122 -3.595 11.641 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.909 -3.514 13.081 1.00 0.00 C ATOM 1337 C ASP A 87 -8.537 -2.247 13.653 1.00 0.00 C ATOM 1338 O ASP A 87 -7.952 -1.583 14.508 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.413 -3.544 13.399 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.134 -3.960 14.830 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.967 -3.654 15.710 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.083 -4.589 15.070 1.00 0.00 O ATOM 0 H ASP A 87 -7.390 -3.158 11.081 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.389 -4.377 13.543 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.914 -4.234 12.719 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.987 -2.557 13.221 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.733 -1.918 13.175 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.442 -0.731 13.639 1.00 0.00 C ATOM 1349 C VAL A 88 -11.629 -1.108 14.518 1.00 0.00 C ATOM 1350 O VAL A 88 -11.844 -2.283 14.815 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.942 0.121 12.458 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.771 0.761 11.727 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.777 -0.724 11.507 1.00 0.00 C ATOM 0 H VAL A 88 -10.231 -2.457 12.467 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.732 -0.147 14.224 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.574 0.918 12.850 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.144 1.359 10.896 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.218 1.401 12.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.110 -0.018 11.346 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.122 -0.106 10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.171 -1.543 11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.637 -1.129 12.040 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.397 -0.104 14.929 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.563 -0.331 15.775 1.00 0.00 C ATOM 1365 C GLU A 89 -14.268 -1.629 15.392 1.00 0.00 C ATOM 1366 O GLU A 89 -14.316 -2.575 16.177 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.537 0.843 15.663 1.00 0.00 C ATOM 1368 CG GLU A 89 -15.897 0.565 16.281 1.00 0.00 C ATOM 1369 CD GLU A 89 -16.742 1.817 16.419 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -16.514 2.585 17.376 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -17.632 2.029 15.568 1.00 0.00 O ATOM 0 H GLU A 89 -12.233 0.874 14.690 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.222 -0.414 16.807 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.099 1.716 16.147 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.670 1.095 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.429 -0.162 15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.760 0.113 17.264 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.813 -1.665 14.181 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.516 -2.846 13.694 1.00 0.00 C ATOM 1380 C GLN A 90 -14.667 -3.606 12.680 1.00 0.00 C ATOM 1381 O GLN A 90 -13.950 -3.019 11.870 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.851 -2.447 13.064 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.705 -1.762 11.714 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.030 -1.268 11.164 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.017 -2.004 11.140 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.057 -0.018 10.719 1.00 0.00 N ATOM 0 H GLN A 90 -14.781 -0.890 13.519 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.706 -3.501 14.544 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -17.468 -3.338 12.946 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.380 -1.781 13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.019 -0.920 11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.258 -2.458 11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.215 0.556 10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.920 0.369 10.337 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.749 -4.944 12.723 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.995 -5.814 11.814 1.00 0.00 C ATOM 1397 C PRO A 91 -14.503 -5.731 10.379 1.00 0.00 C ATOM 1398 O PRO A 91 -15.325 -6.543 9.953 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.231 -7.214 12.386 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.526 -7.111 13.116 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.584 -5.712 13.662 1.00 0.00 C ATOM 0 HA PRO A 91 -12.943 -5.533 11.759 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.281 -7.962 11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.422 -7.510 13.054 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.366 -7.305 12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.581 -7.846 13.919 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.606 -5.334 13.692 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.195 -5.661 14.679 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.010 -4.745 9.638 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.415 -4.557 8.249 1.00 0.00 C ATOM 1411 C PHE A 92 -14.064 -5.782 7.409 1.00 0.00 C ATOM 1412 O PHE A 92 -12.925 -5.942 6.973 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.743 -3.313 7.664 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.916 -3.182 6.178 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.165 -2.936 5.631 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.828 -3.304 5.327 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.326 -2.814 4.264 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.984 -3.183 3.959 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.236 -2.939 3.427 1.00 0.00 C ATOM 0 H PHE A 92 -13.330 -4.064 9.975 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.496 -4.422 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.152 -2.427 8.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.679 -3.341 7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.022 -2.838 6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.848 -3.496 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.305 -2.621 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.129 -3.279 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.361 -2.846 2.358 1.00 0.00 H new ATOM 1429 N SER A 93 -15.052 -6.643 7.187 1.00 0.00 N ATOM 1430 CA SER A 93 -14.848 -7.855 6.404 1.00 0.00 C ATOM 1431 C SER A 93 -15.095 -7.591 4.922 1.00 0.00 C ATOM 1432 O SER A 93 -16.226 -7.333 4.506 1.00 0.00 O ATOM 1433 CB SER A 93 -15.774 -8.968 6.898 1.00 0.00 C ATOM 1434 OG SER A 93 -17.134 -8.588 6.786 1.00 0.00 O ATOM 0 H SER A 93 -16.002 -6.523 7.539 1.00 0.00 H new ATOM 0 HA SER A 93 -13.813 -8.171 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.598 -9.875 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.543 -9.203 7.937 1.00 0.00 H new ATOM 0 HG SER A 93 -17.269 -8.097 5.949 1.00 0.00 H new ATOM 1440 N CYS A 94 -14.031 -7.660 4.130 1.00 0.00 N ATOM 1441 CA CYS A 94 -14.131 -7.429 2.693 1.00 0.00 C ATOM 1442 C CYS A 94 -13.675 -8.656 1.912 1.00 0.00 C ATOM 1443 O CYS A 94 -13.310 -9.678 2.495 1.00 0.00 O ATOM 1444 CB CYS A 94 -13.294 -6.214 2.292 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.531 -6.376 2.663 1.00 0.00 S ATOM 0 H CYS A 94 -13.089 -7.874 4.458 1.00 0.00 H new ATOM 0 HA CYS A 94 -15.177 -7.236 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -13.415 -6.040 1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -13.683 -5.334 2.804 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.852 -6.376 1.554 1.00 0.00 H new ATOM 1451 N THR A 95 -13.699 -8.551 0.586 1.00 0.00 N ATOM 1452 CA THR A 95 -13.292 -9.653 -0.276 1.00 0.00 C ATOM 1453 C THR A 95 -11.773 -9.740 -0.375 1.00 0.00 C ATOM 1454 O THR A 95 -11.178 -10.770 -0.059 1.00 0.00 O ATOM 1455 CB THR A 95 -13.881 -9.507 -1.691 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.455 -8.270 -2.274 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.400 -9.560 -1.654 1.00 0.00 C ATOM 0 H THR A 95 -13.996 -7.713 0.086 1.00 0.00 H new ATOM 0 HA THR A 95 -13.677 -10.567 0.176 1.00 0.00 H new ATOM 0 HB THR A 95 -13.520 -10.337 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.832 -8.186 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.792 -9.455 -2.665 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.721 -10.515 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.777 -8.748 -1.032 1.00 0.00 H new ATOM 1465 N SER A 96 -11.150 -8.652 -0.819 1.00 0.00 N ATOM 1466 CA SER A 96 -9.700 -8.607 -0.963 1.00 0.00 C ATOM 1467 C SER A 96 -9.151 -7.260 -0.504 1.00 0.00 C ATOM 1468 O SER A 96 -9.906 -6.365 -0.125 1.00 0.00 O ATOM 1469 CB SER A 96 -9.303 -8.864 -2.419 1.00 0.00 C ATOM 1470 OG SER A 96 -9.583 -10.201 -2.794 1.00 0.00 O ATOM 0 H SER A 96 -11.627 -7.791 -1.085 1.00 0.00 H new ATOM 0 HA SER A 96 -9.272 -9.388 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.842 -8.179 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.240 -8.661 -2.551 1.00 0.00 H new ATOM 0 HG SER A 96 -9.322 -10.340 -3.728 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.830 -7.123 -0.542 1.00 0.00 N ATOM 1477 CA LEU A 97 -7.177 -5.886 -0.131 1.00 0.00 C ATOM 1478 C LEU A 97 -7.790 -4.684 -0.841 1.00 0.00 C ATOM 1479 O LEU A 97 -8.115 -3.677 -0.210 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.676 -5.955 -0.427 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.845 -6.821 0.520 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.496 -7.149 -0.101 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.661 -6.123 1.860 1.00 0.00 C ATOM 0 H LEU A 97 -7.190 -7.854 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.325 -5.766 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.543 -6.330 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.275 -4.942 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.381 -7.755 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.919 -7.766 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.647 -7.691 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.954 -6.225 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.067 -6.755 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.148 -5.173 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.636 -5.941 2.312 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.950 -4.796 -2.155 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.529 -3.720 -2.949 1.00 0.00 C ATOM 1497 C ASP A 98 -9.628 -3.001 -2.174 1.00 0.00 C ATOM 1498 O ASP A 98 -9.644 -1.774 -2.093 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.090 -4.271 -4.261 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.700 -5.649 -4.096 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -10.619 -5.795 -3.262 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -9.261 -6.581 -4.800 1.00 0.00 O ATOM 0 H ASP A 98 -7.687 -5.622 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.739 -3.003 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.846 -3.586 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.293 -4.316 -5.003 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.546 -3.776 -1.604 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.648 -3.213 -0.834 1.00 0.00 C ATOM 1509 C ALA A 99 -11.132 -2.350 0.312 1.00 0.00 C ATOM 1510 O ALA A 99 -11.524 -1.191 0.455 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.540 -4.325 -0.300 1.00 0.00 C ATOM 0 H ALA A 99 -10.548 -4.794 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.235 -2.577 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.359 -3.891 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.945 -4.899 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.956 -4.983 0.343 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.254 -2.921 1.129 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.683 -2.203 2.262 1.00 0.00 C ATOM 1519 C VAL A 100 -9.223 -0.808 1.854 1.00 0.00 C ATOM 1520 O VAL A 100 -9.542 0.181 2.513 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.493 -2.968 2.871 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.919 -2.208 4.056 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.914 -4.371 3.281 1.00 0.00 C ATOM 0 H VAL A 100 -9.922 -3.880 1.027 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.470 -2.117 3.011 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.714 -3.054 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.079 -2.764 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.577 -1.227 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.689 -2.088 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.060 -4.897 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.711 -4.310 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.273 -4.914 2.406 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.469 -0.737 0.762 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.964 0.538 0.264 1.00 0.00 C ATOM 1535 C VAL A 101 -9.096 1.540 0.074 1.00 0.00 C ATOM 1536 O VAL A 101 -8.984 2.701 0.468 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.218 0.362 -1.072 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.720 1.705 -1.586 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -6.066 -0.619 -0.914 1.00 0.00 C ATOM 0 H VAL A 101 -8.194 -1.546 0.205 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.269 0.918 1.012 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.913 -0.046 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.195 1.561 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.568 2.373 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.040 2.144 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.550 -0.731 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.368 -0.243 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.453 -1.587 -0.595 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.187 1.084 -0.532 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.342 1.941 -0.776 1.00 0.00 C ATOM 1551 C ASN A 102 -12.033 2.307 0.534 1.00 0.00 C ATOM 1552 O ASN A 102 -12.408 3.460 0.750 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.332 1.246 -1.712 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.847 1.214 -3.147 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.547 2.253 -3.736 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.767 0.018 -3.719 1.00 0.00 N ATOM 0 H ASN A 102 -10.296 0.126 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.989 2.858 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.500 0.226 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.292 1.760 -1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.447 -0.065 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.026 -0.817 -3.193 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.199 1.318 1.405 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.847 1.535 2.693 1.00 0.00 C ATOM 1565 C TYR A 103 -12.250 2.743 3.407 1.00 0.00 C ATOM 1566 O TYR A 103 -12.974 3.592 3.929 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.710 0.290 3.572 1.00 0.00 C ATOM 1568 CG TYR A 103 -13.159 0.505 5.000 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -12.274 0.968 5.965 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.469 0.246 5.382 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.681 1.164 7.272 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.886 0.441 6.686 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.987 0.900 7.627 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.397 1.095 8.926 1.00 0.00 O ATOM 0 H TYR A 103 -11.894 0.358 1.243 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.904 1.730 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.294 -0.520 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.669 -0.032 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.251 1.178 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.174 -0.114 4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.979 1.522 8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.909 0.235 6.966 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.346 0.863 9.008 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.923 2.815 3.425 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.226 3.919 4.075 1.00 0.00 C ATOM 1586 C PHE A 104 -10.569 5.248 3.407 1.00 0.00 C ATOM 1587 O PHE A 104 -11.096 6.159 4.044 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.714 3.690 4.035 1.00 0.00 C ATOM 1589 CG PHE A 104 -8.223 2.739 5.088 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.361 3.041 6.433 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.623 1.541 4.733 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.911 2.168 7.405 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.172 0.664 5.700 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.314 0.978 7.038 1.00 0.00 C ATOM 0 H PHE A 104 -10.309 2.122 2.997 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.553 3.960 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.439 3.305 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.206 4.647 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.826 3.971 6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.507 1.291 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.026 2.416 8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.708 -0.267 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.959 0.294 7.795 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.264 5.350 2.116 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.540 6.565 1.360 1.00 0.00 C ATOM 1606 C VAL A 105 -11.851 7.203 1.804 1.00 0.00 C ATOM 1607 O VAL A 105 -11.910 8.404 2.072 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.606 6.282 -0.153 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.924 7.555 -0.921 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.301 5.669 -0.637 1.00 0.00 C ATOM 0 H VAL A 105 -9.826 4.606 1.573 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.719 7.254 1.558 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.407 5.566 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.966 7.335 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.887 7.947 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.147 8.296 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.365 5.475 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.480 6.359 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.121 4.732 -0.109 1.00 0.00 H new ATOM 1620 N SER A 106 -12.902 6.393 1.879 1.00 0.00 N ATOM 1621 CA SER A 106 -14.214 6.879 2.288 1.00 0.00 C ATOM 1622 C SER A 106 -14.257 7.130 3.792 1.00 0.00 C ATOM 1623 O SER A 106 -14.683 8.194 4.243 1.00 0.00 O ATOM 1624 CB SER A 106 -15.298 5.873 1.897 1.00 0.00 C ATOM 1625 OG SER A 106 -16.548 6.219 2.471 1.00 0.00 O ATOM 0 H SER A 106 -12.870 5.397 1.662 1.00 0.00 H new ATOM 0 HA SER A 106 -14.400 7.822 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.390 5.837 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.008 4.875 2.225 1.00 0.00 H new ATOM 0 HG SER A 106 -17.224 5.561 2.204 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.811 6.144 4.563 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.797 6.257 6.017 1.00 0.00 C ATOM 1633 C HIS A 107 -13.301 7.634 6.450 1.00 0.00 C ATOM 1634 O HIS A 107 -14.024 8.391 7.099 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.912 5.170 6.626 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.435 5.490 8.010 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -11.346 6.171 8.434 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -13.105 5.093 9.147 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -11.378 6.175 9.807 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -12.450 5.519 10.213 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.454 5.258 4.205 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.818 6.128 6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.467 4.232 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.048 5.013 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -14.022 4.523 9.164 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.645 6.639 10.450 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.725 5.367 11.183 1.00 0.00 H new ATOM 1649 N THR A 108 -12.063 7.953 6.088 1.00 0.00 N ATOM 1650 CA THR A 108 -11.469 9.237 6.439 1.00 0.00 C ATOM 1651 C THR A 108 -12.384 10.391 6.046 1.00 0.00 C ATOM 1652 O THR A 108 -13.094 10.320 5.043 1.00 0.00 O ATOM 1653 CB THR A 108 -10.100 9.427 5.761 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.550 10.701 6.117 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.227 9.329 4.249 1.00 0.00 C ATOM 0 H THR A 108 -11.451 7.339 5.551 1.00 0.00 H new ATOM 0 HA THR A 108 -11.333 9.237 7.520 1.00 0.00 H new ATOM 0 HB THR A 108 -9.435 8.635 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.679 10.814 5.683 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.247 9.466 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.619 8.348 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.906 10.102 3.890 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.362 11.455 6.842 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.187 12.627 6.576 1.00 0.00 C ATOM 1665 C LYS A 109 -12.629 13.431 5.405 1.00 0.00 C ATOM 1666 O LYS A 109 -13.298 14.316 4.872 1.00 0.00 O ATOM 1667 CB LYS A 109 -13.270 13.511 7.823 1.00 0.00 C ATOM 1668 CG LYS A 109 -11.993 14.284 8.106 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.284 15.609 8.790 1.00 0.00 C ATOM 1670 CE LYS A 109 -11.252 16.664 8.424 1.00 0.00 C ATOM 1671 NZ LYS A 109 -11.446 17.922 9.196 1.00 0.00 N ATOM 0 H LYS A 109 -11.781 11.529 7.677 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.188 12.284 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.093 14.216 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.506 12.887 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.336 13.685 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.461 14.465 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.277 15.956 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.293 15.467 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.252 16.274 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.315 16.879 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.723 18.615 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.391 18.309 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.360 17.722 10.213 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.401 13.118 5.010 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.753 13.809 3.902 1.00 0.00 C ATOM 1687 C LYS A 110 -10.288 12.817 2.840 1.00 0.00 C ATOM 1688 O LYS A 110 -9.553 11.876 3.136 1.00 0.00 O ATOM 1689 CB LYS A 110 -9.562 14.626 4.408 1.00 0.00 C ATOM 1690 CG LYS A 110 -9.102 15.697 3.435 1.00 0.00 C ATOM 1691 CD LYS A 110 -8.052 15.165 2.474 1.00 0.00 C ATOM 1692 CE LYS A 110 -7.167 16.282 1.942 1.00 0.00 C ATOM 1693 NZ LYS A 110 -7.834 17.043 0.849 1.00 0.00 N ATOM 0 H LYS A 110 -10.833 12.389 5.441 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.482 14.483 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.831 15.097 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.730 13.952 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.957 16.069 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.694 16.542 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.437 14.422 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.542 14.659 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.912 16.962 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.232 15.861 1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.200 17.795 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.055 16.399 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.714 17.466 1.208 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.720 13.036 1.602 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.344 12.164 0.496 1.00 0.00 C ATOM 1709 C ALA A 111 -8.833 11.971 0.438 1.00 0.00 C ATOM 1710 O ALA A 111 -8.106 12.835 -0.055 1.00 0.00 O ATOM 1711 CB ALA A 111 -10.858 12.729 -0.820 1.00 0.00 C ATOM 0 H ALA A 111 -11.331 13.810 1.340 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.802 11.189 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.570 12.068 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.945 12.808 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.428 13.717 -0.984 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.366 10.835 0.943 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.939 10.530 0.949 1.00 0.00 C ATOM 1719 C LEU A 112 -6.487 10.018 -0.416 1.00 0.00 C ATOM 1720 O LEU A 112 -7.176 9.222 -1.052 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.624 9.490 2.026 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.648 9.992 3.469 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.573 8.825 4.441 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.505 10.967 3.714 1.00 0.00 C ATOM 0 H LEU A 112 -8.954 10.110 1.354 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.397 11.449 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.340 8.673 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.637 9.074 1.823 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.589 10.517 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.591 9.202 5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.425 8.164 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.649 8.272 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.538 11.314 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.554 10.467 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.603 11.819 3.042 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.322 10.480 -0.858 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.774 10.068 -2.145 1.00 0.00 C ATOM 1738 C VAL A 113 -3.815 8.893 -1.983 1.00 0.00 C ATOM 1739 O VAL A 113 -2.864 8.939 -1.203 1.00 0.00 O ATOM 1740 CB VAL A 113 -4.036 11.227 -2.838 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.229 10.715 -4.022 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -5.021 12.300 -3.278 1.00 0.00 C ATOM 0 H VAL A 113 -4.739 11.140 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.617 9.763 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.345 11.673 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.714 11.549 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.496 9.987 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.898 10.242 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.481 13.111 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.739 11.870 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.549 12.688 -2.407 1.00 0.00 H new ATOM 1752 N PRO A 114 -4.070 7.814 -2.737 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.240 6.606 -2.696 1.00 0.00 C ATOM 1754 C PRO A 114 -1.861 6.829 -3.307 1.00 0.00 C ATOM 1755 O PRO A 114 -1.696 7.649 -4.211 1.00 0.00 O ATOM 1756 CB PRO A 114 -4.037 5.599 -3.531 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.857 6.435 -4.451 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.186 7.689 -3.690 1.00 0.00 C ATOM 0 HA PRO A 114 -3.049 6.278 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.376 4.933 -4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.666 4.971 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.307 6.665 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.765 5.911 -4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.249 8.554 -4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.145 7.608 -3.178 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.871 6.095 -2.808 1.00 0.00 N ATOM 1767 CA PHE A 115 0.495 6.214 -3.305 1.00 0.00 C ATOM 1768 C PHE A 115 0.795 5.130 -4.335 1.00 0.00 C ATOM 1769 O PHE A 115 0.597 3.941 -4.078 1.00 0.00 O ATOM 1770 CB PHE A 115 1.490 6.124 -2.146 1.00 0.00 C ATOM 1771 CG PHE A 115 2.925 6.166 -2.585 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.500 5.081 -3.228 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.701 7.291 -2.356 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.821 5.117 -3.632 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.023 7.334 -2.759 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.583 6.245 -3.399 1.00 0.00 C ATOM 0 H PHE A 115 -0.989 5.412 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 115 0.597 7.186 -3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.306 6.946 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.313 5.199 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.909 4.197 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.268 8.145 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.257 4.264 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.617 8.217 -2.574 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.615 6.276 -3.716 1.00 0.00 H new ATOM 1786 N LEU A 116 1.273 5.548 -5.502 1.00 0.00 N ATOM 1787 CA LEU A 116 1.601 4.613 -6.574 1.00 0.00 C ATOM 1788 C LEU A 116 2.943 4.962 -7.208 1.00 0.00 C ATOM 1789 O LEU A 116 3.188 6.113 -7.572 1.00 0.00 O ATOM 1790 CB LEU A 116 0.502 4.620 -7.638 1.00 0.00 C ATOM 1791 CG LEU A 116 0.774 3.785 -8.889 1.00 0.00 C ATOM 1792 CD1 LEU A 116 0.847 2.307 -8.539 1.00 0.00 C ATOM 1793 CD2 LEU A 116 -0.298 4.035 -9.940 1.00 0.00 C ATOM 0 H LEU A 116 1.442 6.528 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 116 1.673 3.614 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.421 4.263 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.328 5.651 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 116 1.737 4.087 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.041 1.728 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.652 2.142 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.099 1.990 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.089 3.432 -10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.273 3.762 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.301 5.090 -10.213 1.00 0.00 H new ATOM 1805 N LEU A 117 3.807 3.962 -7.341 1.00 0.00 N ATOM 1806 CA LEU A 117 5.123 4.162 -7.936 1.00 0.00 C ATOM 1807 C LEU A 117 5.380 3.147 -9.045 1.00 0.00 C ATOM 1808 O LEU A 117 5.485 1.947 -8.790 1.00 0.00 O ATOM 1809 CB LEU A 117 6.210 4.050 -6.865 1.00 0.00 C ATOM 1810 CG LEU A 117 7.595 4.564 -7.258 1.00 0.00 C ATOM 1811 CD1 LEU A 117 7.478 5.694 -8.270 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.361 5.026 -6.027 1.00 0.00 C ATOM 0 H LEU A 117 3.620 3.004 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 117 5.150 5.161 -8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.879 4.596 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.301 3.003 -6.577 1.00 0.00 H new ATOM 0 HG LEU A 117 8.148 3.746 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.474 6.047 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.969 5.331 -9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.907 6.514 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.345 5.389 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.811 5.830 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.476 4.191 -5.336 1.00 0.00 H new ATOM 1824 N ASP A 118 5.483 3.637 -10.275 1.00 0.00 N ATOM 1825 CA ASP A 118 5.731 2.774 -11.424 1.00 0.00 C ATOM 1826 C ASP A 118 7.187 2.322 -11.459 1.00 0.00 C ATOM 1827 O ASP A 118 7.670 1.827 -12.479 1.00 0.00 O ATOM 1828 CB ASP A 118 5.380 3.502 -12.722 1.00 0.00 C ATOM 1829 CG ASP A 118 5.357 2.573 -13.920 1.00 0.00 C ATOM 1830 OD1 ASP A 118 6.430 2.349 -14.517 1.00 0.00 O ATOM 1831 OD2 ASP A 118 4.265 2.070 -14.261 1.00 0.00 O ATOM 0 H ASP A 118 5.399 4.628 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 118 5.097 1.893 -11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.405 3.977 -12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.105 4.297 -12.897 1.00 0.00 H new