USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 163:sc= 0.416 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0.388 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -1.34 USER MOD Set 2.2: A 30 CYS SG : rot -154:sc= -0.849 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0197) USER MOD Single : A 38 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.12) USER MOD Single : A 40 TYR OH : rot 165:sc= -2.83 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 56 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.8) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= -1.13! (180deg=-6.06!) USER MOD Single : A 71 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-8.1!) USER MOD Single : A 73 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.035) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 156:sc= -3.46! (180deg=-4.14!) USER MOD Single : A 79 MET CE :methyl 157:sc= -0.0361 (180deg=-1.62) USER MOD Single : A 80 HIS : no HE2:sc= -13.3! C(o=-13!,f=-19!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00871 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.885 7.688 13.591 1.00 0.00 N ATOM 170 CA ALA A 15 4.588 7.128 13.251 1.00 0.00 C ATOM 171 C ALA A 15 4.428 7.111 11.729 1.00 0.00 C ATOM 172 O ALA A 15 4.422 8.163 11.091 1.00 0.00 O ATOM 173 CB ALA A 15 3.487 7.932 13.945 1.00 0.00 C ATOM 0 HA ALA A 15 4.510 6.099 13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.514 7.512 13.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.630 7.888 15.025 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.532 8.970 13.615 1.00 0.00 H new ATOM 179 N LEU A 16 4.302 5.907 11.192 1.00 0.00 N ATOM 180 CA LEU A 16 4.142 5.740 9.758 1.00 0.00 C ATOM 181 C LEU A 16 2.696 5.341 9.453 1.00 0.00 C ATOM 182 O LEU A 16 2.000 4.810 10.317 1.00 0.00 O ATOM 183 CB LEU A 16 5.179 4.755 9.214 1.00 0.00 C ATOM 184 CG LEU A 16 6.622 4.984 9.666 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.525 3.830 9.225 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.142 6.338 9.178 1.00 0.00 C ATOM 0 H LEU A 16 4.307 5.037 11.725 1.00 0.00 H new ATOM 0 HA LEU A 16 4.329 6.682 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.883 3.748 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.150 4.792 8.125 1.00 0.00 H new ATOM 0 HG LEU A 16 6.638 5.007 10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.545 4.018 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.166 2.899 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.508 3.750 8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.170 6.475 9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.108 6.370 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.519 7.135 9.584 1.00 0.00 H new ATOM 198 N PRO A 17 2.277 5.619 8.190 1.00 0.00 N ATOM 199 CA PRO A 17 0.927 5.296 7.761 1.00 0.00 C ATOM 200 C PRO A 17 0.775 3.793 7.517 1.00 0.00 C ATOM 201 O PRO A 17 1.766 3.084 7.346 1.00 0.00 O ATOM 202 CB PRO A 17 0.703 6.126 6.507 1.00 0.00 C ATOM 203 CG PRO A 17 2.086 6.526 6.020 1.00 0.00 C ATOM 204 CD PRO A 17 3.075 6.247 7.140 1.00 0.00 C ATOM 0 HA PRO A 17 0.178 5.531 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.173 5.551 5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.096 7.005 6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.353 5.963 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.104 7.582 5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.877 5.589 6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.543 7.166 7.494 1.00 0.00 H new ATOM 212 N VAL A 18 -0.474 3.351 7.508 1.00 0.00 N ATOM 213 CA VAL A 18 -0.768 1.945 7.289 1.00 0.00 C ATOM 214 C VAL A 18 -1.279 1.753 5.859 1.00 0.00 C ATOM 215 O VAL A 18 -2.376 2.197 5.523 1.00 0.00 O ATOM 216 CB VAL A 18 -1.753 1.445 8.348 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.223 0.023 8.032 1.00 0.00 C ATOM 218 CG2 VAL A 18 -1.139 1.521 9.747 1.00 0.00 C ATOM 0 H VAL A 18 -1.294 3.941 7.649 1.00 0.00 H new ATOM 0 HA VAL A 18 0.135 1.344 7.396 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.625 2.098 8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.922 -0.308 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.718 0.011 7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.364 -0.648 8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.860 1.160 10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.242 0.903 9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.877 2.555 9.974 1.00 0.00 H new ATOM 228 N LEU A 19 -0.459 1.091 5.056 1.00 0.00 N ATOM 229 CA LEU A 19 -0.814 0.834 3.671 1.00 0.00 C ATOM 230 C LEU A 19 -1.486 -0.536 3.566 1.00 0.00 C ATOM 231 O LEU A 19 -0.837 -1.565 3.747 1.00 0.00 O ATOM 232 CB LEU A 19 0.410 0.990 2.766 1.00 0.00 C ATOM 233 CG LEU A 19 0.158 0.840 1.264 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.250 2.176 0.641 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.371 0.227 0.563 1.00 0.00 C ATOM 0 H LEU A 19 0.450 0.725 5.338 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.537 1.571 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.846 1.973 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.154 0.252 3.065 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.676 0.152 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.423 2.042 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.164 2.534 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.546 2.905 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.165 0.131 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.239 0.870 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.575 -0.758 0.983 1.00 0.00 H new ATOM 247 N THR A 20 -2.778 -0.506 3.274 1.00 0.00 N ATOM 248 CA THR A 20 -3.545 -1.734 3.143 1.00 0.00 C ATOM 249 C THR A 20 -3.292 -2.377 1.778 1.00 0.00 C ATOM 250 O THR A 20 -3.809 -1.912 0.763 1.00 0.00 O ATOM 251 CB THR A 20 -5.016 -1.401 3.395 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.976 -0.367 4.375 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.764 -2.542 4.088 1.00 0.00 C ATOM 0 H THR A 20 -3.313 0.349 3.124 1.00 0.00 H new ATOM 0 HA THR A 20 -3.234 -2.476 3.879 1.00 0.00 H new ATOM 0 HB THR A 20 -5.503 -1.170 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.890 -0.090 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.804 -2.254 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.724 -3.435 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.298 -2.751 5.051 1.00 0.00 H new ATOM 261 N LEU A 21 -2.497 -3.437 1.797 1.00 0.00 N ATOM 262 CA LEU A 21 -2.170 -4.149 0.573 1.00 0.00 C ATOM 263 C LEU A 21 -3.069 -5.380 0.449 1.00 0.00 C ATOM 264 O LEU A 21 -3.052 -6.256 1.312 1.00 0.00 O ATOM 265 CB LEU A 21 -0.675 -4.471 0.524 1.00 0.00 C ATOM 266 CG LEU A 21 -0.277 -5.675 -0.331 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.889 -5.580 -1.731 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.244 -5.833 -0.381 1.00 0.00 C ATOM 0 H LEU A 21 -2.070 -3.820 2.640 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.366 -3.522 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.147 -3.594 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.327 -4.643 1.543 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.679 -6.574 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.590 -6.448 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.976 -5.552 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.537 -4.672 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.500 -6.696 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.689 -4.936 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.628 -5.979 0.629 1.00 0.00 H new ATOM 280 N PHE A 22 -3.834 -5.408 -0.633 1.00 0.00 N ATOM 281 CA PHE A 22 -4.739 -6.518 -0.881 1.00 0.00 C ATOM 282 C PHE A 22 -4.254 -7.367 -2.058 1.00 0.00 C ATOM 283 O PHE A 22 -4.449 -7.000 -3.216 1.00 0.00 O ATOM 284 CB PHE A 22 -6.101 -5.915 -1.230 1.00 0.00 C ATOM 285 CG PHE A 22 -6.831 -5.295 -0.037 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.417 -6.096 0.893 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.893 -3.943 0.095 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.094 -5.521 2.001 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.570 -3.368 1.202 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.157 -4.169 2.132 1.00 0.00 C ATOM 0 H PHE A 22 -3.846 -4.680 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.791 -7.160 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.963 -5.151 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.730 -6.692 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.367 -7.170 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.427 -3.307 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.559 -6.157 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.619 -2.294 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.673 -3.731 2.974 1.00 0.00 H new ATOM 300 N THR A 23 -3.632 -8.487 -1.721 1.00 0.00 N ATOM 301 CA THR A 23 -3.118 -9.392 -2.736 1.00 0.00 C ATOM 302 C THR A 23 -3.975 -10.657 -2.806 1.00 0.00 C ATOM 303 O THR A 23 -4.759 -10.931 -1.899 1.00 0.00 O ATOM 304 CB THR A 23 -1.647 -9.672 -2.418 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.395 -10.934 -3.029 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.408 -9.924 -0.928 1.00 0.00 C ATOM 0 H THR A 23 -3.472 -8.789 -0.760 1.00 0.00 H new ATOM 0 HA THR A 23 -3.172 -8.945 -3.729 1.00 0.00 H new ATOM 0 HB THR A 23 -1.038 -8.830 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.462 -11.192 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.349 -10.117 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.714 -9.047 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.991 -10.787 -0.607 1.00 0.00 H new ATOM 314 N LYS A 24 -3.798 -11.394 -3.893 1.00 0.00 N ATOM 315 CA LYS A 24 -4.546 -12.623 -4.094 1.00 0.00 C ATOM 316 C LYS A 24 -3.814 -13.500 -5.112 1.00 0.00 C ATOM 317 O LYS A 24 -2.730 -13.147 -5.574 1.00 0.00 O ATOM 318 CB LYS A 24 -5.994 -12.312 -4.480 1.00 0.00 C ATOM 319 CG LYS A 24 -6.063 -11.632 -5.849 1.00 0.00 C ATOM 320 CD LYS A 24 -7.266 -12.134 -6.650 1.00 0.00 C ATOM 321 CE LYS A 24 -7.258 -13.660 -6.753 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.923 -14.099 -8.000 1.00 0.00 N ATOM 0 H LYS A 24 -3.147 -11.163 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.602 -13.191 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.575 -13.234 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.444 -11.666 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.133 -10.552 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.145 -11.828 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.189 -11.803 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.250 -11.698 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.232 -14.026 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.767 -14.091 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.665 -15.086 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.954 -14.027 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.618 -13.493 -8.788 1.00 0.00 H new ATOM 385 N LEU A 29 0.683 -9.721 -10.395 1.00 0.00 N ATOM 386 CA LEU A 29 0.876 -8.327 -10.033 1.00 0.00 C ATOM 387 C LEU A 29 1.152 -8.227 -8.532 1.00 0.00 C ATOM 388 O LEU A 29 2.143 -7.626 -8.118 1.00 0.00 O ATOM 389 CB LEU A 29 -0.313 -7.483 -10.497 1.00 0.00 C ATOM 390 CG LEU A 29 -0.498 -7.359 -12.011 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.395 -8.727 -12.689 1.00 0.00 C ATOM 392 CD2 LEU A 29 -1.812 -6.651 -12.347 1.00 0.00 C ATOM 0 HA LEU A 29 1.747 -7.918 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.223 -7.909 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.206 -6.481 -10.081 1.00 0.00 H new ATOM 0 HG LEU A 29 0.310 -6.742 -12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.530 -8.611 -13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.586 -9.158 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.168 -9.387 -12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.919 -6.576 -13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.647 -7.221 -11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.808 -5.651 -11.913 1.00 0.00 H new ATOM 404 N CYS A 30 0.259 -8.825 -7.757 1.00 0.00 N ATOM 405 CA CYS A 30 0.395 -8.811 -6.311 1.00 0.00 C ATOM 406 C CYS A 30 1.866 -9.048 -5.963 1.00 0.00 C ATOM 407 O CYS A 30 2.395 -8.436 -5.037 1.00 0.00 O ATOM 408 CB CYS A 30 -0.521 -9.842 -5.647 1.00 0.00 C ATOM 409 SG CYS A 30 0.224 -11.509 -5.763 1.00 0.00 S ATOM 0 H CYS A 30 -0.561 -9.322 -8.104 1.00 0.00 H new ATOM 0 HA CYS A 30 0.083 -7.841 -5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.681 -9.578 -4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.498 -9.837 -6.130 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.714 -12.408 -5.713 1.00 0.00 H new ATOM 415 N ASP A 31 2.485 -9.938 -6.726 1.00 0.00 N ATOM 416 CA ASP A 31 3.884 -10.263 -6.510 1.00 0.00 C ATOM 417 C ASP A 31 4.743 -9.037 -6.827 1.00 0.00 C ATOM 418 O ASP A 31 5.436 -8.518 -5.953 1.00 0.00 O ATOM 419 CB ASP A 31 4.332 -11.403 -7.427 1.00 0.00 C ATOM 420 CG ASP A 31 4.601 -12.734 -6.720 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.032 -12.677 -5.549 1.00 0.00 O ATOM 422 OD2 ASP A 31 4.369 -13.777 -7.368 1.00 0.00 O ATOM 0 H ASP A 31 2.043 -10.443 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 31 4.003 -10.568 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.566 -11.561 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.239 -11.095 -7.948 1.00 0.00 H new ATOM 427 N GLU A 32 4.670 -8.610 -8.079 1.00 0.00 N ATOM 428 CA GLU A 32 5.432 -7.455 -8.521 1.00 0.00 C ATOM 429 C GLU A 32 5.156 -6.257 -7.611 1.00 0.00 C ATOM 430 O GLU A 32 6.085 -5.649 -7.081 1.00 0.00 O ATOM 431 CB GLU A 32 5.118 -7.118 -9.980 1.00 0.00 C ATOM 432 CG GLU A 32 6.403 -6.867 -10.773 1.00 0.00 C ATOM 433 CD GLU A 32 6.649 -7.988 -11.786 1.00 0.00 C ATOM 434 OE1 GLU A 32 5.902 -8.022 -12.787 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.579 -8.784 -11.536 1.00 0.00 O ATOM 0 H GLU A 32 4.095 -9.043 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 32 6.493 -7.698 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.560 -7.937 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.481 -6.235 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.333 -5.911 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.249 -6.797 -10.089 1.00 0.00 H new ATOM 442 N ALA A 33 3.876 -5.953 -7.456 1.00 0.00 N ATOM 443 CA ALA A 33 3.467 -4.839 -6.618 1.00 0.00 C ATOM 444 C ALA A 33 4.360 -4.785 -5.377 1.00 0.00 C ATOM 445 O ALA A 33 5.090 -3.816 -5.175 1.00 0.00 O ATOM 446 CB ALA A 33 1.985 -4.983 -6.264 1.00 0.00 C ATOM 0 H ALA A 33 3.108 -6.459 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 33 3.585 -3.895 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.678 -4.147 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.391 -4.987 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.829 -5.918 -5.726 1.00 0.00 H new ATOM 452 N LYS A 34 4.272 -5.838 -4.577 1.00 0.00 N ATOM 453 CA LYS A 34 5.064 -5.922 -3.362 1.00 0.00 C ATOM 454 C LYS A 34 6.505 -5.511 -3.667 1.00 0.00 C ATOM 455 O LYS A 34 7.057 -4.633 -3.005 1.00 0.00 O ATOM 456 CB LYS A 34 4.940 -7.313 -2.737 1.00 0.00 C ATOM 457 CG LYS A 34 3.511 -7.574 -2.257 1.00 0.00 C ATOM 458 CD LYS A 34 3.154 -9.057 -2.376 1.00 0.00 C ATOM 459 CE LYS A 34 3.276 -9.761 -1.023 1.00 0.00 C ATOM 460 NZ LYS A 34 4.700 -9.944 -0.661 1.00 0.00 N ATOM 0 H LYS A 34 3.665 -6.640 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 34 4.686 -5.226 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.226 -8.070 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.631 -7.402 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.408 -7.254 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.812 -6.980 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.137 -9.161 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.813 -9.536 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.772 -9.175 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.778 -10.729 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.766 -10.468 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.183 -10.478 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.153 -9.014 -0.552 1.00 0.00 H new ATOM 474 N GLU A 35 7.074 -6.165 -4.669 1.00 0.00 N ATOM 475 CA GLU A 35 8.441 -5.878 -5.070 1.00 0.00 C ATOM 476 C GLU A 35 8.617 -4.379 -5.319 1.00 0.00 C ATOM 477 O GLU A 35 9.714 -3.845 -5.161 1.00 0.00 O ATOM 478 CB GLU A 35 8.831 -6.690 -6.307 1.00 0.00 C ATOM 479 CG GLU A 35 8.351 -8.137 -6.187 1.00 0.00 C ATOM 480 CD GLU A 35 9.432 -9.114 -6.655 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.620 -8.795 -6.431 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.046 -10.157 -7.226 1.00 0.00 O ATOM 0 H GLU A 35 6.613 -6.893 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 35 9.107 -6.172 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.399 -6.233 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.914 -6.671 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.086 -8.351 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.449 -8.275 -6.782 1.00 0.00 H new ATOM 489 N VAL A 36 7.521 -3.743 -5.705 1.00 0.00 N ATOM 490 CA VAL A 36 7.542 -2.316 -5.978 1.00 0.00 C ATOM 491 C VAL A 36 7.474 -1.547 -4.657 1.00 0.00 C ATOM 492 O VAL A 36 7.879 -0.388 -4.587 1.00 0.00 O ATOM 493 CB VAL A 36 6.410 -1.951 -6.941 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.554 -0.510 -7.436 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.350 -2.931 -8.114 1.00 0.00 C ATOM 0 H VAL A 36 6.613 -4.189 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 36 8.473 -2.035 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 36 5.469 -2.025 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.737 -0.276 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.523 0.172 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.505 -0.397 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.537 -2.649 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.294 -2.905 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.176 -3.939 -7.737 1.00 0.00 H new ATOM 505 N LEU A 37 6.958 -2.224 -3.641 1.00 0.00 N ATOM 506 CA LEU A 37 6.832 -1.620 -2.326 1.00 0.00 C ATOM 507 C LEU A 37 8.025 -2.033 -1.463 1.00 0.00 C ATOM 508 O LEU A 37 7.992 -1.888 -0.242 1.00 0.00 O ATOM 509 CB LEU A 37 5.476 -1.963 -1.706 1.00 0.00 C ATOM 510 CG LEU A 37 4.247 -1.410 -2.432 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.017 -1.433 -1.522 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.523 -0.012 -2.989 1.00 0.00 C ATOM 0 H LEU A 37 6.622 -3.185 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 37 6.855 -0.533 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.386 -3.048 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.464 -1.594 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 37 4.031 -2.058 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.158 -1.035 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.810 -2.458 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.206 -0.822 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.634 0.358 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.778 0.662 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.354 -0.058 -3.693 1.00 0.00 H new ATOM 524 N GLN A 38 9.051 -2.541 -2.131 1.00 0.00 N ATOM 525 CA GLN A 38 10.252 -2.977 -1.440 1.00 0.00 C ATOM 526 C GLN A 38 10.937 -1.787 -0.764 1.00 0.00 C ATOM 527 O GLN A 38 11.255 -1.841 0.423 1.00 0.00 O ATOM 528 CB GLN A 38 11.209 -3.687 -2.399 1.00 0.00 C ATOM 529 CG GLN A 38 11.161 -5.203 -2.197 1.00 0.00 C ATOM 530 CD GLN A 38 12.572 -5.791 -2.121 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.849 -6.713 -1.372 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.446 -5.207 -2.936 1.00 0.00 N ATOM 0 H GLN A 38 9.075 -2.660 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 38 9.965 -3.692 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.944 -3.445 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.225 -3.327 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.617 -5.434 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.614 -5.666 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.148 -4.439 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.414 -5.527 -2.959 1.00 0.00 H new ATOM 541 N PRO A 39 11.149 -0.712 -1.570 1.00 0.00 N ATOM 542 CA PRO A 39 11.790 0.489 -1.062 1.00 0.00 C ATOM 543 C PRO A 39 10.830 1.293 -0.183 1.00 0.00 C ATOM 544 O PRO A 39 11.192 2.350 0.332 1.00 0.00 O ATOM 545 CB PRO A 39 12.240 1.248 -2.299 1.00 0.00 C ATOM 546 CG PRO A 39 11.430 0.681 -3.454 1.00 0.00 C ATOM 547 CD PRO A 39 10.785 -0.612 -2.980 1.00 0.00 C ATOM 0 HA PRO A 39 12.639 0.271 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.064 2.318 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.309 1.117 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.669 1.393 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.072 0.494 -4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.703 -0.585 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.152 -1.468 -3.546 1.00 0.00 H new ATOM 555 N TYR A 40 9.624 0.763 -0.040 1.00 0.00 N ATOM 556 CA TYR A 40 8.609 1.418 0.767 1.00 0.00 C ATOM 557 C TYR A 40 8.062 0.470 1.836 1.00 0.00 C ATOM 558 O TYR A 40 6.902 0.579 2.232 1.00 0.00 O ATOM 559 CB TYR A 40 7.480 1.790 -0.195 1.00 0.00 C ATOM 560 CG TYR A 40 7.932 2.632 -1.389 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.027 4.004 -1.269 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.244 2.021 -2.587 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.453 4.797 -2.393 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.670 2.814 -3.711 1.00 0.00 C ATOM 565 CZ TYR A 40 8.753 4.163 -3.559 1.00 0.00 C ATOM 566 OH TYR A 40 9.155 4.913 -4.620 1.00 0.00 O ATOM 0 H TYR A 40 9.327 -0.113 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 40 9.026 2.286 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.015 0.876 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.715 2.338 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.782 4.483 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.169 0.948 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.533 5.871 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.918 2.348 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 40 9.561 4.332 -5.297 1.00 0.00 H new ATOM 576 N LYS A 41 8.921 -0.439 2.272 1.00 0.00 N ATOM 577 CA LYS A 41 8.538 -1.406 3.286 1.00 0.00 C ATOM 578 C LYS A 41 8.815 -0.821 4.672 1.00 0.00 C ATOM 579 O LYS A 41 8.341 -1.347 5.678 1.00 0.00 O ATOM 580 CB LYS A 41 9.230 -2.748 3.036 1.00 0.00 C ATOM 581 CG LYS A 41 10.710 -2.681 3.416 1.00 0.00 C ATOM 582 CD LYS A 41 11.299 -4.084 3.574 1.00 0.00 C ATOM 583 CE LYS A 41 12.256 -4.146 4.766 1.00 0.00 C ATOM 584 NZ LYS A 41 12.274 -5.507 5.347 1.00 0.00 N ATOM 0 H LYS A 41 9.882 -0.526 1.941 1.00 0.00 H new ATOM 0 HA LYS A 41 7.469 -1.610 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.737 -3.529 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.133 -3.021 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.261 -2.135 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.825 -2.127 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.495 -4.807 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.828 -4.365 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.261 -3.867 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.949 -3.425 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.929 -5.531 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.318 -5.760 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.588 -6.188 4.626 1.00 0.00 H new ATOM 598 N ASP A 42 9.582 0.260 4.681 1.00 0.00 N ATOM 599 CA ASP A 42 9.927 0.922 5.928 1.00 0.00 C ATOM 600 C ASP A 42 9.251 2.293 5.976 1.00 0.00 C ATOM 601 O ASP A 42 9.179 2.917 7.034 1.00 0.00 O ATOM 602 CB ASP A 42 11.438 1.136 6.037 1.00 0.00 C ATOM 603 CG ASP A 42 12.095 0.492 7.259 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.406 0.414 8.299 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.272 0.092 7.126 1.00 0.00 O ATOM 0 H ASP A 42 9.974 0.694 3.845 1.00 0.00 H new ATOM 0 HA ASP A 42 9.592 0.290 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.912 0.741 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.638 2.207 6.058 1.00 0.00 H new ATOM 610 N ARG A 43 8.772 2.723 4.817 1.00 0.00 N ATOM 611 CA ARG A 43 8.104 4.009 4.714 1.00 0.00 C ATOM 612 C ARG A 43 6.711 3.936 5.343 1.00 0.00 C ATOM 613 O ARG A 43 6.074 4.963 5.570 1.00 0.00 O ATOM 614 CB ARG A 43 7.974 4.447 3.254 1.00 0.00 C ATOM 615 CG ARG A 43 9.341 4.796 2.663 1.00 0.00 C ATOM 616 CD ARG A 43 9.305 6.158 1.965 1.00 0.00 C ATOM 617 NE ARG A 43 9.695 6.009 0.545 1.00 0.00 N ATOM 618 CZ ARG A 43 10.950 5.791 0.129 1.00 0.00 C ATOM 619 NH1 ARG A 43 11.944 5.695 1.022 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.211 5.669 -1.179 1.00 0.00 N ATOM 0 H ARG A 43 8.834 2.203 3.942 1.00 0.00 H new ATOM 0 HA ARG A 43 8.710 4.741 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.515 3.649 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.313 5.311 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.091 4.808 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.641 4.027 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.304 6.584 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.981 6.851 2.466 1.00 0.00 H new ATOM 0 HE ARG A 43 8.962 6.077 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.745 5.788 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.899 5.529 0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.454 5.742 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.166 5.503 -1.495 1.00 0.00 H new ATOM 634 N PHE A 44 6.280 2.711 5.607 1.00 0.00 N ATOM 635 CA PHE A 44 4.974 2.490 6.206 1.00 0.00 C ATOM 636 C PHE A 44 4.771 1.013 6.548 1.00 0.00 C ATOM 637 O PHE A 44 5.628 0.181 6.256 1.00 0.00 O ATOM 638 CB PHE A 44 3.930 2.909 5.169 1.00 0.00 C ATOM 639 CG PHE A 44 4.138 2.282 3.788 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.002 0.939 3.624 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.459 3.068 2.726 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.194 0.358 2.343 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.651 2.487 1.445 1.00 0.00 C ATOM 644 CZ PHE A 44 4.515 1.143 1.281 1.00 0.00 C ATOM 0 H PHE A 44 6.812 1.861 5.417 1.00 0.00 H new ATOM 0 HA PHE A 44 4.885 3.064 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.940 2.637 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.946 3.994 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.748 0.315 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.568 4.134 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.085 -0.708 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.905 3.111 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.662 0.700 0.307 1.00 0.00 H new ATOM 654 N ILE A 45 3.631 0.732 7.163 1.00 0.00 N ATOM 655 CA ILE A 45 3.304 -0.630 7.548 1.00 0.00 C ATOM 656 C ILE A 45 2.449 -1.273 6.455 1.00 0.00 C ATOM 657 O ILE A 45 1.250 -1.014 6.367 1.00 0.00 O ATOM 658 CB ILE A 45 2.653 -0.653 8.933 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.630 -0.173 10.007 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.089 -2.040 9.250 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.895 0.568 11.126 1.00 0.00 C ATOM 0 H ILE A 45 2.922 1.425 7.404 1.00 0.00 H new ATOM 0 HA ILE A 45 4.210 -1.229 7.637 1.00 0.00 H new ATOM 0 HB ILE A 45 1.814 0.043 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.167 -1.026 10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.375 0.485 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.632 -2.029 10.240 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.338 -2.306 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.895 -2.774 9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.613 0.898 11.876 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.379 1.434 10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.168 -0.100 11.589 1.00 0.00 H new ATOM 673 N LEU A 46 3.099 -2.101 5.650 1.00 0.00 N ATOM 674 CA LEU A 46 2.413 -2.783 4.566 1.00 0.00 C ATOM 675 C LEU A 46 1.491 -3.857 5.148 1.00 0.00 C ATOM 676 O LEU A 46 1.960 -4.885 5.634 1.00 0.00 O ATOM 677 CB LEU A 46 3.422 -3.324 3.550 1.00 0.00 C ATOM 678 CG LEU A 46 2.830 -3.949 2.285 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.969 -2.937 1.525 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.928 -4.544 1.402 1.00 0.00 C ATOM 0 H LEU A 46 4.093 -2.315 5.727 1.00 0.00 H new ATOM 0 HA LEU A 46 1.783 -2.085 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.082 -2.509 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.041 -4.072 4.045 1.00 0.00 H new ATOM 0 HG LEU A 46 2.177 -4.769 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.560 -3.406 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.152 -2.602 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.581 -2.081 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.480 -4.982 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.626 -3.759 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.462 -5.316 1.956 1.00 0.00 H new ATOM 692 N GLN A 47 0.197 -3.581 5.079 1.00 0.00 N ATOM 693 CA GLN A 47 -0.794 -4.511 5.592 1.00 0.00 C ATOM 694 C GLN A 47 -1.314 -5.408 4.467 1.00 0.00 C ATOM 695 O GLN A 47 -2.188 -5.006 3.701 1.00 0.00 O ATOM 696 CB GLN A 47 -1.943 -3.765 6.274 1.00 0.00 C ATOM 697 CG GLN A 47 -2.534 -4.594 7.416 1.00 0.00 C ATOM 698 CD GLN A 47 -3.840 -3.978 7.923 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.797 -3.797 7.188 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.826 -3.667 9.216 1.00 0.00 N ATOM 0 H GLN A 47 -0.188 -2.727 4.676 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.317 -5.143 6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.583 -2.811 6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.720 -3.540 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.717 -5.612 7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.816 -4.657 8.234 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.991 -3.845 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.650 -3.250 9.649 1.00 0.00 H new ATOM 709 N GLU A 48 -0.753 -6.607 4.403 1.00 0.00 N ATOM 710 CA GLU A 48 -1.149 -7.565 3.385 1.00 0.00 C ATOM 711 C GLU A 48 -2.432 -8.286 3.804 1.00 0.00 C ATOM 712 O GLU A 48 -2.416 -9.107 4.719 1.00 0.00 O ATOM 713 CB GLU A 48 -0.025 -8.564 3.105 1.00 0.00 C ATOM 714 CG GLU A 48 0.764 -8.167 1.856 1.00 0.00 C ATOM 715 CD GLU A 48 2.264 -8.386 2.061 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.673 -9.567 2.042 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.968 -7.367 2.232 1.00 0.00 O ATOM 0 H GLU A 48 -0.027 -6.937 5.040 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.346 -7.022 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.646 -8.612 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.445 -9.561 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.421 -8.753 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.575 -7.120 1.620 1.00 0.00 H new ATOM 724 N VAL A 49 -3.513 -7.953 3.114 1.00 0.00 N ATOM 725 CA VAL A 49 -4.801 -8.558 3.403 1.00 0.00 C ATOM 726 C VAL A 49 -5.114 -9.614 2.341 1.00 0.00 C ATOM 727 O VAL A 49 -5.104 -9.321 1.146 1.00 0.00 O ATOM 728 CB VAL A 49 -5.878 -7.475 3.503 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.267 -8.096 3.665 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.574 -6.505 4.646 1.00 0.00 C ATOM 0 H VAL A 49 -3.523 -7.271 2.355 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.776 -9.064 4.368 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.872 -6.908 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.014 -7.305 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.486 -8.728 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.292 -8.699 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.354 -5.745 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.540 -7.052 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.611 -6.025 4.470 1.00 0.00 H new ATOM 740 N ASP A 50 -5.383 -10.822 2.815 1.00 0.00 N ATOM 741 CA ASP A 50 -5.697 -11.924 1.921 1.00 0.00 C ATOM 742 C ASP A 50 -7.190 -11.894 1.587 1.00 0.00 C ATOM 743 O ASP A 50 -8.019 -12.300 2.399 1.00 0.00 O ATOM 744 CB ASP A 50 -5.386 -13.271 2.576 1.00 0.00 C ATOM 745 CG ASP A 50 -3.923 -13.472 2.977 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.170 -12.478 2.893 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.592 -14.615 3.359 1.00 0.00 O ATOM 0 H ASP A 50 -5.390 -11.062 3.806 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.091 -11.812 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.009 -13.379 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.671 -14.067 1.888 1.00 0.00 H new ATOM 752 N ILE A 51 -7.486 -11.409 0.390 1.00 0.00 N ATOM 753 CA ILE A 51 -8.865 -11.321 -0.061 1.00 0.00 C ATOM 754 C ILE A 51 -9.317 -12.689 -0.574 1.00 0.00 C ATOM 755 O ILE A 51 -10.469 -12.857 -0.971 1.00 0.00 O ATOM 756 CB ILE A 51 -9.022 -10.196 -1.086 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.165 -10.460 -2.326 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.718 -8.835 -0.458 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.787 -9.823 -3.569 1.00 0.00 C ATOM 0 H ILE A 51 -6.795 -11.073 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.522 -11.059 0.768 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.062 -10.174 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.163 -10.060 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.060 -11.534 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.837 -8.053 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.406 -8.653 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.694 -8.827 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.158 -10.026 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.779 -10.242 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.868 -8.746 -3.424 1.00 0.00 H new ATOM 771 N THR A 52 -8.387 -13.632 -0.551 1.00 0.00 N ATOM 772 CA THR A 52 -8.675 -14.980 -1.009 1.00 0.00 C ATOM 773 C THR A 52 -9.373 -15.780 0.093 1.00 0.00 C ATOM 774 O THR A 52 -9.588 -16.983 -0.050 1.00 0.00 O ATOM 775 CB THR A 52 -7.363 -15.610 -1.480 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.488 -15.463 -0.365 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.691 -14.803 -2.591 1.00 0.00 C ATOM 0 H THR A 52 -7.432 -13.489 -0.222 1.00 0.00 H new ATOM 0 HA THR A 52 -9.368 -14.972 -1.850 1.00 0.00 H new ATOM 0 HB THR A 52 -7.553 -16.623 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.613 -15.847 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.764 -15.294 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.359 -14.739 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.469 -13.799 -2.229 1.00 0.00 H new ATOM 785 N LEU A 53 -9.707 -15.080 1.167 1.00 0.00 N ATOM 786 CA LEU A 53 -10.376 -15.710 2.293 1.00 0.00 C ATOM 787 C LEU A 53 -11.854 -15.316 2.287 1.00 0.00 C ATOM 788 O LEU A 53 -12.230 -14.310 1.688 1.00 0.00 O ATOM 789 CB LEU A 53 -9.655 -15.374 3.600 1.00 0.00 C ATOM 790 CG LEU A 53 -8.229 -15.912 3.737 1.00 0.00 C ATOM 791 CD1 LEU A 53 -8.233 -17.422 3.985 1.00 0.00 C ATOM 792 CD2 LEU A 53 -7.381 -15.533 2.521 1.00 0.00 C ATOM 0 H LEU A 53 -9.527 -14.083 1.282 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.335 -16.795 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.625 -14.290 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.249 -15.759 4.429 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.770 -15.444 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.207 -17.778 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.777 -17.638 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.717 -17.927 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.372 -15.927 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.828 -15.954 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.338 -14.448 2.432 1.00 0.00 H new ATOM 804 N PRO A 54 -12.674 -16.152 2.980 1.00 0.00 N ATOM 805 CA PRO A 54 -14.103 -15.901 3.060 1.00 0.00 C ATOM 806 C PRO A 54 -14.405 -14.751 4.023 1.00 0.00 C ATOM 807 O PRO A 54 -15.403 -14.050 3.865 1.00 0.00 O ATOM 808 CB PRO A 54 -14.709 -17.222 3.504 1.00 0.00 C ATOM 809 CG PRO A 54 -13.566 -18.026 4.103 1.00 0.00 C ATOM 810 CD PRO A 54 -12.263 -17.352 3.702 1.00 0.00 C ATOM 0 HA PRO A 54 -14.528 -15.582 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.500 -17.062 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.157 -17.749 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.656 -18.068 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.591 -19.054 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.661 -17.102 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.657 -18.004 3.073 1.00 0.00 H new ATOM 818 N GLU A 55 -13.523 -14.592 4.999 1.00 0.00 N ATOM 819 CA GLU A 55 -13.683 -13.539 5.988 1.00 0.00 C ATOM 820 C GLU A 55 -13.540 -12.166 5.328 1.00 0.00 C ATOM 821 O GLU A 55 -14.260 -11.230 5.672 1.00 0.00 O ATOM 822 CB GLU A 55 -12.681 -13.705 7.132 1.00 0.00 C ATOM 823 CG GLU A 55 -11.250 -13.794 6.599 1.00 0.00 C ATOM 824 CD GLU A 55 -10.232 -13.603 7.725 1.00 0.00 C ATOM 825 OE1 GLU A 55 -10.026 -14.580 8.477 1.00 0.00 O ATOM 826 OE2 GLU A 55 -9.683 -12.483 7.809 1.00 0.00 O ATOM 0 H GLU A 55 -12.695 -15.175 5.126 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.684 -13.614 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.765 -12.863 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.918 -14.605 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.095 -14.763 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.096 -13.035 5.832 1.00 0.00 H new ATOM 833 N ASN A 56 -12.606 -12.089 4.391 1.00 0.00 N ATOM 834 CA ASN A 56 -12.359 -10.847 3.680 1.00 0.00 C ATOM 835 C ASN A 56 -13.058 -10.895 2.320 1.00 0.00 C ATOM 836 O ASN A 56 -12.871 -10.006 1.490 1.00 0.00 O ATOM 837 CB ASN A 56 -10.863 -10.639 3.436 1.00 0.00 C ATOM 838 CG ASN A 56 -10.054 -10.944 4.698 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.233 -10.340 5.743 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.156 -11.914 4.544 1.00 0.00 N ATOM 0 H ASN A 56 -12.011 -12.868 4.108 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.742 -10.028 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.531 -11.283 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.681 -9.611 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.566 -12.192 5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.057 -12.379 3.642 1.00 0.00 H new ATOM 847 N SER A 57 -13.849 -11.941 2.134 1.00 0.00 N ATOM 848 CA SER A 57 -14.576 -12.117 0.888 1.00 0.00 C ATOM 849 C SER A 57 -15.060 -10.762 0.369 1.00 0.00 C ATOM 850 O SER A 57 -15.126 -10.543 -0.839 1.00 0.00 O ATOM 851 CB SER A 57 -15.760 -13.069 1.072 1.00 0.00 C ATOM 852 OG SER A 57 -16.438 -13.321 -0.156 1.00 0.00 O ATOM 0 H SER A 57 -14.003 -12.675 2.825 1.00 0.00 H new ATOM 0 HA SER A 57 -13.900 -12.558 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.406 -14.011 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.459 -12.643 1.792 1.00 0.00 H new ATOM 0 HG SER A 57 -17.186 -13.934 0.003 1.00 0.00 H new ATOM 858 N THR A 58 -15.387 -9.887 1.309 1.00 0.00 N ATOM 859 CA THR A 58 -15.863 -8.559 0.962 1.00 0.00 C ATOM 860 C THR A 58 -14.771 -7.775 0.230 1.00 0.00 C ATOM 861 O THR A 58 -14.994 -7.272 -0.870 1.00 0.00 O ATOM 862 CB THR A 58 -16.344 -7.878 2.245 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.599 -8.496 2.517 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.694 -6.404 2.030 1.00 0.00 C ATOM 0 H THR A 58 -15.332 -10.072 2.311 1.00 0.00 H new ATOM 0 HA THR A 58 -16.703 -8.609 0.269 1.00 0.00 H new ATOM 0 HB THR A 58 -15.572 -7.960 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.981 -8.114 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.029 -5.969 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.813 -5.869 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.489 -6.323 1.289 1.00 0.00 H new ATOM 872 N TRP A 59 -13.615 -7.696 0.871 1.00 0.00 N ATOM 873 CA TRP A 59 -12.488 -6.982 0.296 1.00 0.00 C ATOM 874 C TRP A 59 -12.328 -7.441 -1.155 1.00 0.00 C ATOM 875 O TRP A 59 -11.915 -6.664 -2.014 1.00 0.00 O ATOM 876 CB TRP A 59 -11.223 -7.189 1.131 1.00 0.00 C ATOM 877 CG TRP A 59 -11.119 -6.262 2.344 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.184 -6.591 3.642 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.929 -4.832 2.320 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.049 -5.482 4.452 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.890 -4.378 3.623 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.794 -3.950 1.233 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.716 -3.031 3.960 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.622 -2.607 1.587 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.580 -2.134 2.893 1.00 0.00 C ATOM 0 H TRP A 59 -13.434 -8.115 1.783 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.669 -5.907 0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.191 -8.223 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.351 -7.037 0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.324 -7.597 4.008 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.063 -5.474 5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.821 -4.283 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.688 -2.701 4.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.514 -1.887 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.443 -1.080 3.084 1.00 0.00 H new ATOM 896 N TYR A 60 -12.663 -8.703 -1.383 1.00 0.00 N ATOM 897 CA TYR A 60 -12.561 -9.275 -2.714 1.00 0.00 C ATOM 898 C TYR A 60 -13.783 -8.911 -3.562 1.00 0.00 C ATOM 899 O TYR A 60 -13.643 -8.392 -4.668 1.00 0.00 O ATOM 900 CB TYR A 60 -12.524 -10.792 -2.520 1.00 0.00 C ATOM 901 CG TYR A 60 -12.060 -11.566 -3.755 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.949 -11.832 -4.777 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.753 -12.000 -3.847 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.512 -12.561 -5.940 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.317 -12.729 -5.010 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.218 -12.973 -5.999 1.00 0.00 C ATOM 907 OH TYR A 60 -10.806 -13.662 -7.097 1.00 0.00 O ATOM 0 H TYR A 60 -13.005 -9.345 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.676 -8.898 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.861 -11.025 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.520 -11.137 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.972 -11.494 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.058 -11.793 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.197 -12.775 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.297 -13.074 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.326 -13.376 -7.877 1.00 0.00 H new ATOM 917 N GLU A 61 -14.952 -9.198 -3.010 1.00 0.00 N ATOM 918 CA GLU A 61 -16.197 -8.908 -3.701 1.00 0.00 C ATOM 919 C GLU A 61 -16.217 -7.452 -4.170 1.00 0.00 C ATOM 920 O GLU A 61 -16.965 -7.099 -5.080 1.00 0.00 O ATOM 921 CB GLU A 61 -17.403 -9.213 -2.810 1.00 0.00 C ATOM 922 CG GLU A 61 -17.625 -10.722 -2.685 1.00 0.00 C ATOM 923 CD GLU A 61 -19.082 -11.087 -2.976 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.486 -10.922 -4.147 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.760 -11.523 -2.020 1.00 0.00 O ATOM 0 H GLU A 61 -15.064 -9.628 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.262 -9.553 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.247 -8.782 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.295 -8.744 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.969 -11.248 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.357 -11.051 -1.681 1.00 0.00 H new ATOM 932 N ARG A 62 -15.385 -6.645 -3.528 1.00 0.00 N ATOM 933 CA ARG A 62 -15.297 -5.235 -3.868 1.00 0.00 C ATOM 934 C ARG A 62 -14.089 -4.982 -4.772 1.00 0.00 C ATOM 935 O ARG A 62 -14.119 -4.089 -5.618 1.00 0.00 O ATOM 936 CB ARG A 62 -15.175 -4.372 -2.611 1.00 0.00 C ATOM 937 CG ARG A 62 -13.812 -4.566 -1.943 1.00 0.00 C ATOM 938 CD ARG A 62 -13.588 -3.527 -0.842 1.00 0.00 C ATOM 939 NE ARG A 62 -13.868 -2.170 -1.362 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.122 -1.107 -0.588 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.133 -1.236 0.746 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.366 0.087 -1.147 1.00 0.00 N ATOM 0 H ARG A 62 -14.765 -6.941 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.212 -4.963 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.310 -3.322 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.968 -4.631 -1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.750 -5.569 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.022 -4.486 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.236 -3.740 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.561 -3.583 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.867 -2.036 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.948 -2.144 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.326 -0.426 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.358 0.186 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.559 0.896 -0.557 1.00 0.00 H new ATOM 956 N TYR A 63 -13.055 -5.783 -4.563 1.00 0.00 N ATOM 957 CA TYR A 63 -11.839 -5.656 -5.348 1.00 0.00 C ATOM 958 C TYR A 63 -11.347 -7.026 -5.821 1.00 0.00 C ATOM 959 O TYR A 63 -10.332 -7.526 -5.337 1.00 0.00 O ATOM 960 CB TYR A 63 -10.794 -5.047 -4.412 1.00 0.00 C ATOM 961 CG TYR A 63 -11.084 -3.598 -4.015 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.381 -2.663 -4.985 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.048 -3.227 -2.686 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.654 -1.299 -4.610 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.321 -1.864 -2.312 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.610 -0.967 -3.292 1.00 0.00 C ATOM 967 OH TYR A 63 -11.868 0.321 -2.939 1.00 0.00 O ATOM 0 H TYR A 63 -13.034 -6.523 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.015 -5.043 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.731 -5.655 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.818 -5.092 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.409 -2.953 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.815 -3.959 -1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.888 -0.557 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.297 -1.561 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.802 0.413 -1.966 1.00 0.00 H new ATOM 977 N LYS A 64 -12.088 -7.594 -6.761 1.00 0.00 N ATOM 978 CA LYS A 64 -11.740 -8.895 -7.304 1.00 0.00 C ATOM 979 C LYS A 64 -11.145 -8.717 -8.702 1.00 0.00 C ATOM 980 O LYS A 64 -10.585 -9.655 -9.267 1.00 0.00 O ATOM 981 CB LYS A 64 -12.948 -9.833 -7.265 1.00 0.00 C ATOM 982 CG LYS A 64 -14.040 -9.361 -8.227 1.00 0.00 C ATOM 983 CD LYS A 64 -15.383 -10.018 -7.897 1.00 0.00 C ATOM 984 CE LYS A 64 -16.465 -8.963 -7.658 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.370 -9.387 -6.567 1.00 0.00 N ATOM 0 H LYS A 64 -12.928 -7.176 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.976 -9.371 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.637 -10.844 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.346 -9.877 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.137 -8.277 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.756 -9.601 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.683 -10.673 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.278 -10.644 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.002 -8.009 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.037 -8.806 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.312 -9.590 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.991 -10.243 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.444 -8.626 -5.862 1.00 0.00 H new ATOM 999 N PHE A 65 -11.288 -7.506 -9.221 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.772 -7.193 -10.543 1.00 0.00 C ATOM 1001 C PHE A 65 -10.119 -5.810 -10.563 1.00 0.00 C ATOM 1002 O PHE A 65 -9.808 -5.281 -11.629 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.965 -7.194 -11.501 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.220 -6.528 -10.933 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.253 -5.180 -10.757 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.301 -7.284 -10.604 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.418 -4.561 -10.230 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.466 -6.665 -10.077 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.499 -5.317 -9.901 1.00 0.00 C ATOM 0 H PHE A 65 -11.754 -6.730 -8.750 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.018 -7.926 -10.831 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.680 -6.683 -12.421 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.202 -8.224 -11.769 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.394 -4.580 -11.018 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.274 -8.355 -10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.445 -3.490 -10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.325 -7.265 -9.816 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.384 -4.847 -9.500 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.929 -5.263 -9.371 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.318 -3.951 -9.238 1.00 0.00 C ATOM 1021 C ASP A 66 -8.093 -4.054 -8.328 1.00 0.00 C ATOM 1022 O ASP A 66 -7.737 -3.093 -7.648 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.291 -2.952 -8.609 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.772 -3.284 -8.799 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.181 -4.358 -8.305 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.463 -2.458 -9.433 1.00 0.00 O ATOM 0 H ASP A 66 -10.187 -5.704 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.040 -3.606 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.083 -2.888 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.098 -1.966 -9.031 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.480 -5.229 -8.344 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.302 -5.470 -7.529 1.00 0.00 C ATOM 1033 C ILE A 67 -5.067 -5.530 -8.430 1.00 0.00 C ATOM 1034 O ILE A 67 -5.186 -5.707 -9.642 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.494 -6.718 -6.665 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.520 -7.665 -7.291 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.863 -6.340 -5.230 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.737 -8.898 -6.411 1.00 0.00 C ATOM 0 H ILE A 67 -7.778 -6.024 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.148 -4.648 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.546 -7.254 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.466 -7.142 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.179 -7.974 -8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.994 -7.245 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.067 -5.735 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.792 -5.770 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.471 -9.554 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.794 -9.432 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.101 -8.587 -5.432 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.878 -5.375 -7.788 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.826 -5.169 -6.350 1.00 0.00 C ATOM 1052 C PRO A 68 -4.249 -3.745 -5.984 1.00 0.00 C ATOM 1053 O PRO A 68 -4.019 -2.809 -6.749 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.390 -5.481 -5.961 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.582 -5.397 -7.246 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.558 -5.391 -8.411 1.00 0.00 C ATOM 0 HA PRO A 68 -4.521 -5.810 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.022 -4.770 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.313 -6.473 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.972 -4.494 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.900 -6.244 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.410 -4.519 -9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.428 -6.271 -9.041 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.860 -3.626 -4.815 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.317 -2.332 -4.338 1.00 0.00 C ATOM 1066 C VAL A 69 -4.385 -1.843 -3.227 1.00 0.00 C ATOM 1067 O VAL A 69 -3.769 -2.648 -2.531 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.779 -2.424 -3.895 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.210 -1.153 -3.161 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.696 -2.708 -5.086 1.00 0.00 C ATOM 0 H VAL A 69 -5.049 -4.405 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.280 -1.595 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.867 -3.258 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.253 -1.244 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.586 -1.013 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.099 -0.295 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.729 -2.768 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.602 -1.905 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.411 -3.653 -5.547 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.311 -0.527 -3.097 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.465 0.078 -2.082 1.00 0.00 C ATOM 1082 C PHE A 70 -4.181 1.240 -1.392 1.00 0.00 C ATOM 1083 O PHE A 70 -4.535 2.227 -2.036 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.223 0.613 -2.797 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.358 -0.474 -3.440 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.618 -0.888 -4.709 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.329 -1.025 -2.742 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.816 -1.897 -5.305 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.473 -2.034 -3.338 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.213 -2.449 -4.607 1.00 0.00 C ATOM 0 H PHE A 70 -4.823 0.138 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.211 -0.660 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.535 1.318 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.617 1.170 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.434 -0.449 -5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.122 -0.695 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.023 -2.226 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.290 -2.472 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.823 -3.216 -5.060 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.375 1.085 -0.090 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.043 2.109 0.694 1.00 0.00 C ATOM 1102 C HIS A 71 -4.045 2.744 1.666 1.00 0.00 C ATOM 1103 O HIS A 71 -3.509 2.066 2.541 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.274 1.537 1.399 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.335 1.018 0.458 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.548 0.518 0.898 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.352 0.928 -0.903 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.255 0.145 -0.159 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.512 0.400 -1.274 1.00 0.00 N ATOM 0 H HIS A 71 -4.081 0.265 0.441 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.407 2.897 0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.959 0.727 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.710 2.311 2.031 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.847 0.448 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.557 1.234 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.245 -0.285 -0.141 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.826 4.037 1.478 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.903 4.770 2.326 1.00 0.00 C ATOM 1119 C LEU A 72 -3.695 5.569 3.364 1.00 0.00 C ATOM 1120 O LEU A 72 -4.443 6.479 3.013 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.962 5.628 1.478 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.465 5.418 1.716 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.349 6.584 1.152 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.174 5.180 3.200 1.00 0.00 C ATOM 0 H LEU A 72 -4.272 4.596 0.750 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.261 4.081 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.173 5.433 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.195 6.677 1.661 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.156 4.521 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.409 6.409 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.174 6.665 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.044 7.510 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.897 5.034 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.502 6.044 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.709 4.293 3.538 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.502 5.198 4.621 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.189 5.868 5.712 1.00 0.00 C ATOM 1138 C ASN A 73 -5.680 5.530 5.655 1.00 0.00 C ATOM 1139 O ASN A 73 -6.517 6.324 6.081 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.045 7.387 5.604 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.208 7.943 6.758 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.635 7.996 7.899 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.994 8.351 6.398 1.00 0.00 N ATOM 0 H ASN A 73 -2.880 4.442 4.908 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.745 5.529 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.577 7.645 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.032 7.851 5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.358 8.737 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.699 8.278 5.424 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.966 4.349 5.126 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.342 3.896 5.007 1.00 0.00 C ATOM 1152 C GLY A 74 -8.069 4.639 3.885 1.00 0.00 C ATOM 1153 O GLY A 74 -9.261 4.924 3.995 1.00 0.00 O ATOM 0 H GLY A 74 -5.269 3.692 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.360 2.824 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.864 4.055 5.951 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.322 4.932 2.831 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.881 5.637 1.690 1.00 0.00 C ATOM 1159 C GLN A 75 -7.223 5.156 0.395 1.00 0.00 C ATOM 1160 O GLN A 75 -6.009 5.268 0.233 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.730 7.151 1.853 1.00 0.00 C ATOM 1162 CG GLN A 75 -8.987 7.881 1.377 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.659 8.856 0.244 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -9.072 8.691 -0.892 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -7.894 9.879 0.616 1.00 0.00 N ATOM 0 H GLN A 75 -6.334 4.694 2.743 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.947 5.415 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.540 7.391 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.867 7.497 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.726 7.156 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.434 8.423 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.583 9.957 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.619 10.585 -0.067 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.054 4.632 -0.494 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.568 4.134 -1.770 1.00 0.00 C ATOM 1176 C PHE A 76 -6.504 5.067 -2.353 1.00 0.00 C ATOM 1177 O PHE A 76 -6.824 6.150 -2.841 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.767 4.090 -2.719 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.411 4.351 -4.184 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.535 3.532 -4.827 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.970 5.401 -4.843 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.205 3.774 -6.186 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.639 5.642 -6.203 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.764 4.824 -6.846 1.00 0.00 C ATOM 0 H PHE A 76 -9.061 4.541 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.117 3.150 -1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.244 3.113 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.500 4.830 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.091 2.698 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.665 6.051 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.510 3.124 -6.696 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.083 6.476 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.513 5.008 -7.880 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.262 4.612 -2.283 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.149 5.392 -2.798 1.00 0.00 C ATOM 1196 C LEU A 77 -3.979 5.105 -4.292 1.00 0.00 C ATOM 1197 O LEU A 77 -3.756 6.021 -5.082 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.887 5.134 -1.974 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.635 4.753 -2.767 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.008 5.983 -3.426 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.634 4.003 -1.886 1.00 0.00 C ATOM 0 H LEU A 77 -5.001 3.713 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.353 6.458 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.667 6.030 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.099 4.336 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.932 4.074 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.120 5.684 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.728 6.438 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.729 6.705 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.246 3.744 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.338 4.637 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.096 3.092 -1.505 1.00 0.00 H new ATOM 1213 N MET A 78 -4.090 3.830 -4.633 1.00 0.00 N ATOM 1214 CA MET A 78 -3.951 3.410 -6.017 1.00 0.00 C ATOM 1215 C MET A 78 -4.206 1.909 -6.163 1.00 0.00 C ATOM 1216 O MET A 78 -3.933 1.137 -5.245 1.00 0.00 O ATOM 1217 CB MET A 78 -2.541 3.740 -6.511 1.00 0.00 C ATOM 1218 CG MET A 78 -1.515 2.766 -5.930 1.00 0.00 C ATOM 1219 SD MET A 78 0.130 3.437 -6.103 1.00 0.00 S ATOM 1220 CE MET A 78 0.996 2.451 -4.893 1.00 0.00 C ATOM 0 H MET A 78 -4.275 3.073 -3.974 1.00 0.00 H new ATOM 0 HA MET A 78 -4.689 3.944 -6.615 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.514 3.696 -7.600 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.281 4.760 -6.227 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.732 2.581 -4.878 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.581 1.807 -6.443 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.056 2.415 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.872 2.896 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.589 1.440 -4.889 1.00 0.00 H new ATOM 1230 N MET A 79 -4.725 1.539 -7.325 1.00 0.00 N ATOM 1231 CA MET A 79 -5.019 0.144 -7.603 1.00 0.00 C ATOM 1232 C MET A 79 -4.760 -0.188 -9.074 1.00 0.00 C ATOM 1233 O MET A 79 -4.769 0.699 -9.925 1.00 0.00 O ATOM 1234 CB MET A 79 -6.483 -0.147 -7.264 1.00 0.00 C ATOM 1235 CG MET A 79 -7.423 0.720 -8.104 1.00 0.00 C ATOM 1236 SD MET A 79 -9.120 0.280 -7.770 1.00 0.00 S ATOM 1237 CE MET A 79 -9.789 1.892 -7.392 1.00 0.00 C ATOM 0 H MET A 79 -4.949 2.182 -8.085 1.00 0.00 H new ATOM 0 HA MET A 79 -4.365 -0.475 -6.989 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.699 -1.201 -7.441 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.659 0.040 -6.205 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.260 1.773 -7.876 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.206 0.586 -9.164 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.866 1.887 -7.558 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.584 2.136 -6.350 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.326 2.639 -8.037 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.535 -1.469 -9.327 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.274 -1.929 -10.680 1.00 0.00 C ATOM 1249 C HIS A 80 -2.776 -1.825 -10.978 1.00 0.00 C ATOM 1250 O HIS A 80 -2.354 -1.987 -12.122 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.133 -1.166 -11.690 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.552 -0.925 -11.231 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.367 0.043 -11.790 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.291 -1.538 -10.262 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.541 0.007 -11.177 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.492 -0.973 -10.230 1.00 0.00 N ATOM 0 H HIS A 80 -4.528 -2.202 -8.618 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.556 -2.978 -10.771 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.662 -0.206 -11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.155 -1.722 -12.627 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.108 0.677 -12.546 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.956 -2.346 -9.628 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.388 0.642 -11.390 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.015 -1.555 -9.928 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.573 -1.427 -10.062 1.00 0.00 C ATOM 1266 C ARG A 81 0.010 -0.697 -8.850 1.00 0.00 C ATOM 1267 O ARG A 81 -0.675 -0.509 -7.846 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.205 -0.662 -11.335 1.00 0.00 C ATOM 1269 CG ARG A 81 0.437 -1.592 -12.367 1.00 0.00 C ATOM 1270 CD ARG A 81 -0.218 -1.424 -13.739 1.00 0.00 C ATOM 1271 NE ARG A 81 0.816 -1.426 -14.798 1.00 0.00 N ATOM 1272 CZ ARG A 81 0.548 -1.378 -16.110 1.00 0.00 C ATOM 1273 NH1 ARG A 81 -0.722 -1.323 -16.533 1.00 0.00 N ATOM 1274 NH2 ARG A 81 1.551 -1.384 -16.999 1.00 0.00 N ATOM 0 H ARG A 81 -2.369 -1.421 -8.981 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.154 -2.432 -10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.098 -0.204 -11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.483 0.147 -11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.503 -1.378 -12.441 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.341 -2.627 -12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.929 -2.231 -13.913 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.781 -0.491 -13.771 1.00 0.00 H new ATOM 0 HE ARG A 81 1.794 -1.466 -14.511 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.485 -1.318 -15.856 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.926 -1.286 -17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.518 -1.425 -16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.347 -1.347 -17.998 1.00 0.00 H new ATOM 1288 N VAL A 82 1.269 -0.307 -8.984 1.00 0.00 N ATOM 1289 CA VAL A 82 1.952 0.397 -7.913 1.00 0.00 C ATOM 1290 C VAL A 82 2.757 1.557 -8.502 1.00 0.00 C ATOM 1291 O VAL A 82 3.932 1.398 -8.831 1.00 0.00 O ATOM 1292 CB VAL A 82 2.813 -0.580 -7.109 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.319 0.068 -5.819 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.045 -1.869 -6.811 1.00 0.00 C ATOM 0 H VAL A 82 1.834 -0.465 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 82 1.230 0.823 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 82 3.681 -0.839 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.928 -0.648 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.920 0.944 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.470 0.370 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.679 -2.546 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.151 -1.634 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.757 -2.346 -7.748 1.00 0.00 H new ATOM 1304 N ASN A 83 2.093 2.698 -8.619 1.00 0.00 N ATOM 1305 CA ASN A 83 2.731 3.884 -9.163 1.00 0.00 C ATOM 1306 C ASN A 83 3.517 4.588 -8.056 1.00 0.00 C ATOM 1307 O ASN A 83 3.029 5.544 -7.455 1.00 0.00 O ATOM 1308 CB ASN A 83 1.694 4.868 -9.707 1.00 0.00 C ATOM 1309 CG ASN A 83 1.579 4.759 -11.228 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.838 3.952 -11.764 1.00 0.00 O ATOM 1311 ND2 ASN A 83 2.351 5.614 -11.892 1.00 0.00 N ATOM 0 H ASN A 83 1.119 2.826 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 83 3.389 3.571 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.724 4.669 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.973 5.885 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.346 5.620 -12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.949 6.264 -11.381 1.00 0.00 H new ATOM 1318 N THR A 84 4.722 4.090 -7.819 1.00 0.00 N ATOM 1319 CA THR A 84 5.580 4.659 -6.794 1.00 0.00 C ATOM 1320 C THR A 84 5.425 6.181 -6.754 1.00 0.00 C ATOM 1321 O THR A 84 5.149 6.753 -5.701 1.00 0.00 O ATOM 1322 CB THR A 84 7.014 4.202 -7.070 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.178 4.400 -8.472 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.193 2.694 -6.884 1.00 0.00 C ATOM 0 H THR A 84 5.124 3.298 -8.320 1.00 0.00 H new ATOM 0 HA THR A 84 5.297 4.308 -5.802 1.00 0.00 H new ATOM 0 HB THR A 84 7.698 4.734 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.082 4.130 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.228 2.422 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.946 2.422 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.533 2.162 -7.569 1.00 0.00 H new ATOM 1332 N SER A 85 5.608 6.793 -7.915 1.00 0.00 N ATOM 1333 CA SER A 85 5.492 8.237 -8.026 1.00 0.00 C ATOM 1334 C SER A 85 4.322 8.735 -7.175 1.00 0.00 C ATOM 1335 O SER A 85 4.464 9.693 -6.417 1.00 0.00 O ATOM 1336 CB SER A 85 5.308 8.665 -9.483 1.00 0.00 C ATOM 1337 OG SER A 85 5.425 10.076 -9.645 1.00 0.00 O ATOM 0 H SER A 85 5.836 6.315 -8.787 1.00 0.00 H new ATOM 0 HA SER A 85 6.416 8.683 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.052 8.166 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.329 8.340 -9.835 1.00 0.00 H new ATOM 0 HG SER A 85 5.303 10.308 -10.589 1.00 0.00 H new ATOM 1343 N LYS A 86 3.191 8.062 -7.330 1.00 0.00 N ATOM 1344 CA LYS A 86 1.997 8.424 -6.586 1.00 0.00 C ATOM 1345 C LYS A 86 2.240 8.189 -5.094 1.00 0.00 C ATOM 1346 O LYS A 86 2.194 9.126 -4.298 1.00 0.00 O ATOM 1347 CB LYS A 86 0.777 7.680 -7.134 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.431 8.613 -7.243 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.195 8.370 -8.546 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.240 7.266 -8.371 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.576 7.746 -8.787 1.00 0.00 N ATOM 0 H LYS A 86 3.077 7.268 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 86 1.778 9.484 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.010 7.265 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.535 6.841 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.095 8.455 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.099 9.650 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.684 9.291 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.496 8.093 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.960 6.395 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.270 6.947 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.273 6.984 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.848 8.564 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.547 8.028 -9.788 1.00 0.00 H new ATOM 1365 N LEU A 87 2.495 6.933 -4.759 1.00 0.00 N ATOM 1366 CA LEU A 87 2.746 6.563 -3.376 1.00 0.00 C ATOM 1367 C LEU A 87 3.612 7.637 -2.714 1.00 0.00 C ATOM 1368 O LEU A 87 3.164 8.320 -1.795 1.00 0.00 O ATOM 1369 CB LEU A 87 3.345 5.157 -3.298 1.00 0.00 C ATOM 1370 CG LEU A 87 4.067 4.807 -1.995 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.069 4.601 -0.854 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.980 3.594 -2.184 1.00 0.00 C ATOM 0 H LEU A 87 2.533 6.158 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 87 1.811 6.518 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.545 4.433 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.047 5.036 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 87 4.702 5.649 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.608 4.353 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.497 5.516 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.390 3.787 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.481 3.366 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.385 2.736 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.725 3.815 -2.948 1.00 0.00 H new ATOM 1384 N GLU A 88 4.836 7.753 -3.208 1.00 0.00 N ATOM 1385 CA GLU A 88 5.768 8.732 -2.676 1.00 0.00 C ATOM 1386 C GLU A 88 5.046 10.050 -2.389 1.00 0.00 C ATOM 1387 O GLU A 88 5.053 10.533 -1.257 1.00 0.00 O ATOM 1388 CB GLU A 88 6.942 8.947 -3.632 1.00 0.00 C ATOM 1389 CG GLU A 88 7.497 7.611 -4.130 1.00 0.00 C ATOM 1390 CD GLU A 88 9.026 7.600 -4.083 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.563 7.930 -3.003 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.623 7.263 -5.128 1.00 0.00 O ATOM 0 H GLU A 88 5.204 7.185 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 88 6.171 8.349 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.618 9.549 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.729 9.506 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.105 6.799 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.160 7.431 -5.151 1.00 0.00 H new ATOM 1399 N LYS A 89 4.439 10.596 -3.433 1.00 0.00 N ATOM 1400 CA LYS A 89 3.714 11.848 -3.307 1.00 0.00 C ATOM 1401 C LYS A 89 2.942 11.855 -1.986 1.00 0.00 C ATOM 1402 O LYS A 89 3.110 12.759 -1.169 1.00 0.00 O ATOM 1403 CB LYS A 89 2.833 12.084 -4.536 1.00 0.00 C ATOM 1404 CG LYS A 89 2.683 13.579 -4.825 1.00 0.00 C ATOM 1405 CD LYS A 89 1.640 14.213 -3.903 1.00 0.00 C ATOM 1406 CE LYS A 89 2.090 15.600 -3.438 1.00 0.00 C ATOM 1407 NZ LYS A 89 1.709 16.629 -4.431 1.00 0.00 N ATOM 0 H LYS A 89 4.435 10.193 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 89 4.408 12.688 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.269 11.585 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.850 11.641 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.643 14.077 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.391 13.725 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.687 14.292 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.476 13.571 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.637 15.831 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.170 15.609 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.022 17.564 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.161 16.416 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.676 16.632 -4.549 1.00 0.00 H new ATOM 1421 N GLN A 90 2.111 10.837 -1.818 1.00 0.00 N ATOM 1422 CA GLN A 90 1.312 10.714 -0.611 1.00 0.00 C ATOM 1423 C GLN A 90 2.218 10.648 0.621 1.00 0.00 C ATOM 1424 O GLN A 90 2.054 11.427 1.558 1.00 0.00 O ATOM 1425 CB GLN A 90 0.394 9.492 -0.682 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.559 9.591 -1.875 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.434 10.842 -1.774 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.496 10.842 -1.172 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.932 11.905 -2.395 1.00 0.00 N ATOM 0 H GLN A 90 1.974 10.089 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 90 0.679 11.598 -0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.994 8.586 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.180 9.410 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.014 9.617 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.190 8.703 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.038 11.837 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.441 12.789 -2.386 1.00 0.00 H new ATOM 1438 N LEU A 91 3.154 9.711 0.578 1.00 0.00 N ATOM 1439 CA LEU A 91 4.085 9.533 1.678 1.00 0.00 C ATOM 1440 C LEU A 91 4.605 10.901 2.127 1.00 0.00 C ATOM 1441 O LEU A 91 4.524 11.244 3.305 1.00 0.00 O ATOM 1442 CB LEU A 91 5.193 8.552 1.290 1.00 0.00 C ATOM 1443 CG LEU A 91 4.828 7.068 1.357 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.887 6.211 0.660 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.593 6.626 2.803 1.00 0.00 C ATOM 0 H LEU A 91 3.287 9.067 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 91 3.581 9.086 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.515 8.781 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.049 8.725 1.942 1.00 0.00 H new ATOM 0 HG LEU A 91 3.891 6.922 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.603 5.160 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.962 6.505 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.851 6.356 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.335 5.567 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.500 6.789 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.776 7.206 3.233 1.00 0.00 H new