USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 171:sc= -1.42 USER MOD Set 2.2: A 30 CYS SG : rot -153:sc= -0.447 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00358 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.341 (180deg=-0.529!) USER MOD Single : A 38 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.091) USER MOD Single : A 40 TYR OH : rot 180:sc= -2.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0878 K(o=-0.088,f=-2.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 56 ASN : amide:sc= 0.559 K(o=0.56,f=-2) 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+ -107:sc= -1.1 (180deg=-4.7!) USER MOD Single : A 71 HIS : no HE2:sc= -8.92! C(o=-8.9!,f=-7.7!) USER MOD Single : A 73 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.026) USER MOD Single : A 75 GLN : amide:sc= -0.0006 X(o=-0.0006,f=-0.061) USER MOD Single : A 78 MET CE :methyl 167:sc= -4.84! (180deg=-5.57!) USER MOD Single : A 79 MET CE :methyl 160:sc= 0 (180deg=-0.97) USER MOD Single : A 80 HIS : no HE2:sc= -13.6! C(o=-14!,f=-18!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.198 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= -1.1 K(o=-1.1,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.890 7.815 13.536 1.00 0.00 N ATOM 170 CA ALA A 15 4.662 7.104 13.222 1.00 0.00 C ATOM 171 C ALA A 15 4.474 7.065 11.704 1.00 0.00 C ATOM 172 O ALA A 15 4.342 8.108 11.064 1.00 0.00 O ATOM 173 CB ALA A 15 3.487 7.774 13.938 1.00 0.00 C ATOM 0 HA ALA A 15 4.714 6.074 13.574 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.566 7.241 13.703 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.655 7.750 15.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.402 8.809 13.607 1.00 0.00 H new ATOM 179 N LEU A 16 4.469 5.852 11.171 1.00 0.00 N ATOM 180 CA LEU A 16 4.300 5.664 9.741 1.00 0.00 C ATOM 181 C LEU A 16 2.851 5.264 9.451 1.00 0.00 C ATOM 182 O LEU A 16 2.158 4.749 10.327 1.00 0.00 O ATOM 183 CB LEU A 16 5.331 4.668 9.206 1.00 0.00 C ATOM 184 CG LEU A 16 6.790 4.953 9.569 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.704 3.823 9.093 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.233 6.315 9.030 1.00 0.00 C ATOM 0 H LEU A 16 4.579 4.990 11.704 1.00 0.00 H new ATOM 0 HA LEU A 16 4.486 6.597 9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.073 3.675 9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.247 4.637 8.120 1.00 0.00 H new ATOM 0 HG LEU A 16 6.870 4.995 10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.735 4.051 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.403 2.888 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.626 3.724 8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.273 6.493 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.134 6.326 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.607 7.097 9.459 1.00 0.00 H new ATOM 198 N PRO A 17 2.426 5.524 8.186 1.00 0.00 N ATOM 199 CA PRO A 17 1.072 5.197 7.769 1.00 0.00 C ATOM 200 C PRO A 17 0.915 3.691 7.551 1.00 0.00 C ATOM 201 O PRO A 17 1.904 2.968 7.448 1.00 0.00 O ATOM 202 CB PRO A 17 0.843 6.008 6.504 1.00 0.00 C ATOM 203 CG PRO A 17 2.224 6.396 6.002 1.00 0.00 C ATOM 204 CD PRO A 17 3.219 6.132 7.121 1.00 0.00 C ATOM 0 HA PRO A 17 0.327 5.445 8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.306 5.423 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.240 6.892 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.484 5.817 5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.244 7.447 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.017 5.466 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.692 7.055 7.457 1.00 0.00 H new ATOM 212 N VAL A 18 -0.337 3.262 7.487 1.00 0.00 N ATOM 213 CA VAL A 18 -0.638 1.855 7.283 1.00 0.00 C ATOM 214 C VAL A 18 -1.182 1.655 5.867 1.00 0.00 C ATOM 215 O VAL A 18 -2.311 2.044 5.571 1.00 0.00 O ATOM 216 CB VAL A 18 -1.597 1.362 8.368 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.118 -0.039 8.043 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.930 1.394 9.744 1.00 0.00 C ATOM 0 H VAL A 18 -1.155 3.865 7.573 1.00 0.00 H new ATOM 0 HA VAL A 18 0.267 1.254 7.371 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.451 2.039 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.798 -0.366 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.648 -0.018 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.280 -0.732 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.633 1.039 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.050 0.751 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.631 2.415 9.980 1.00 0.00 H new ATOM 228 N LEU A 19 -0.355 1.048 5.029 1.00 0.00 N ATOM 229 CA LEU A 19 -0.739 0.791 3.652 1.00 0.00 C ATOM 230 C LEU A 19 -1.397 -0.588 3.559 1.00 0.00 C ATOM 231 O LEU A 19 -0.726 -1.610 3.698 1.00 0.00 O ATOM 232 CB LEU A 19 0.461 0.963 2.719 1.00 0.00 C ATOM 233 CG LEU A 19 0.179 0.800 1.224 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.184 2.141 0.585 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.354 0.125 0.515 1.00 0.00 C ATOM 0 H LEU A 19 0.581 0.726 5.278 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.478 1.521 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.884 1.954 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.225 0.240 3.005 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.685 0.145 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.380 1.997 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.075 2.544 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.643 2.839 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.128 0.021 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.250 0.733 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.523 -0.861 0.948 1.00 0.00 H new ATOM 247 N THR A 20 -2.701 -0.572 3.324 1.00 0.00 N ATOM 248 CA THR A 20 -3.456 -1.808 3.211 1.00 0.00 C ATOM 249 C THR A 20 -3.249 -2.435 1.831 1.00 0.00 C ATOM 250 O THR A 20 -3.874 -2.019 0.856 1.00 0.00 O ATOM 251 CB THR A 20 -4.921 -1.497 3.524 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.857 -0.593 4.624 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.671 -2.709 4.081 1.00 0.00 C ATOM 0 H THR A 20 -3.254 0.278 3.209 1.00 0.00 H new ATOM 0 HA THR A 20 -3.107 -2.552 3.927 1.00 0.00 H new ATOM 0 HB THR A 20 -5.418 -1.146 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.765 -0.338 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.706 -2.434 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.648 -3.518 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.194 -3.040 5.004 1.00 0.00 H new ATOM 261 N LEU A 21 -2.370 -3.425 1.792 1.00 0.00 N ATOM 262 CA LEU A 21 -2.073 -4.113 0.547 1.00 0.00 C ATOM 263 C LEU A 21 -3.004 -5.319 0.402 1.00 0.00 C ATOM 264 O LEU A 21 -3.021 -6.202 1.258 1.00 0.00 O ATOM 265 CB LEU A 21 -0.587 -4.471 0.474 1.00 0.00 C ATOM 266 CG LEU A 21 -0.228 -5.666 -0.412 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.839 -5.518 -1.807 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.287 -5.870 -0.469 1.00 0.00 C ATOM 0 H LEU A 21 -1.854 -3.767 2.602 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.262 -3.459 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.041 -3.599 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.232 -4.674 1.485 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.658 -6.563 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.568 -6.380 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.924 -5.458 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.460 -4.610 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.515 -6.725 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.759 -4.977 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.668 -6.053 0.536 1.00 0.00 H new ATOM 280 N PHE A 22 -3.756 -5.317 -0.689 1.00 0.00 N ATOM 281 CA PHE A 22 -4.687 -6.400 -0.958 1.00 0.00 C ATOM 282 C PHE A 22 -4.191 -7.277 -2.109 1.00 0.00 C ATOM 283 O PHE A 22 -4.344 -6.921 -3.276 1.00 0.00 O ATOM 284 CB PHE A 22 -6.016 -5.758 -1.359 1.00 0.00 C ATOM 285 CG PHE A 22 -6.670 -4.934 -0.247 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.169 -5.555 0.855 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.751 -3.581 -0.361 1.00 0.00 C ATOM 288 CE1 PHE A 22 -7.776 -4.791 1.887 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.357 -2.817 0.671 1.00 0.00 C ATOM 290 CZ PHE A 22 -7.857 -3.438 1.773 1.00 0.00 C ATOM 0 H PHE A 22 -3.740 -4.583 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.789 -7.030 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.851 -5.116 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.707 -6.541 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.104 -6.629 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.354 -3.088 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.173 -5.284 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.421 -1.743 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.318 -2.857 2.558 1.00 0.00 H new ATOM 300 N THR A 23 -3.606 -8.407 -1.740 1.00 0.00 N ATOM 301 CA THR A 23 -3.086 -9.338 -2.727 1.00 0.00 C ATOM 302 C THR A 23 -3.963 -10.590 -2.794 1.00 0.00 C ATOM 303 O THR A 23 -4.735 -10.861 -1.875 1.00 0.00 O ATOM 304 CB THR A 23 -1.627 -9.636 -2.374 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.362 -10.881 -3.015 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.434 -9.935 -0.886 1.00 0.00 C ATOM 0 H THR A 23 -3.481 -8.699 -0.771 1.00 0.00 H new ATOM 0 HA THR A 23 -3.112 -8.908 -3.728 1.00 0.00 H new ATOM 0 HB THR A 23 -1.005 -8.787 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.404 -11.079 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.382 -10.140 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.752 -9.074 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.030 -10.804 -0.609 1.00 0.00 H new ATOM 314 N LYS A 24 -3.815 -11.320 -3.890 1.00 0.00 N ATOM 315 CA LYS A 24 -4.584 -12.536 -4.088 1.00 0.00 C ATOM 316 C LYS A 24 -3.849 -13.443 -5.077 1.00 0.00 C ATOM 317 O LYS A 24 -2.748 -13.121 -5.521 1.00 0.00 O ATOM 318 CB LYS A 24 -6.017 -12.202 -4.508 1.00 0.00 C ATOM 319 CG LYS A 24 -6.064 -11.714 -5.957 1.00 0.00 C ATOM 320 CD LYS A 24 -7.183 -12.410 -6.734 1.00 0.00 C ATOM 321 CE LYS A 24 -6.699 -12.848 -8.118 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.746 -12.601 -9.135 1.00 0.00 N ATOM 0 H LYS A 24 -3.174 -11.092 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.672 -13.088 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.647 -13.084 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.424 -11.435 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.220 -10.635 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.106 -11.907 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.533 -13.278 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.032 -11.735 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.792 -12.304 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.442 -13.907 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.402 -12.904 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.602 -13.139 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.972 -11.586 -9.162 1.00 0.00 H new ATOM 385 N LEU A 29 0.766 -9.944 -10.334 1.00 0.00 N ATOM 386 CA LEU A 29 0.967 -8.538 -10.030 1.00 0.00 C ATOM 387 C LEU A 29 1.236 -8.378 -8.533 1.00 0.00 C ATOM 388 O LEU A 29 2.247 -7.798 -8.139 1.00 0.00 O ATOM 389 CB LEU A 29 -0.215 -7.707 -10.534 1.00 0.00 C ATOM 390 CG LEU A 29 -0.321 -7.543 -12.052 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.376 -8.905 -12.747 1.00 0.00 C ATOM 392 CD2 LEU A 29 -1.512 -6.660 -12.426 1.00 0.00 C ATOM 0 HA LEU A 29 1.843 -8.156 -10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.136 -8.165 -10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.154 -6.716 -10.085 1.00 0.00 H new ATOM 0 HG LEU A 29 0.578 -7.037 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.451 -8.761 -13.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.530 -9.467 -12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.246 -9.459 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.564 -6.560 -13.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.432 -7.115 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.390 -5.675 -11.976 1.00 0.00 H new ATOM 404 N CYS A 30 0.315 -8.902 -7.738 1.00 0.00 N ATOM 405 CA CYS A 30 0.440 -8.824 -6.293 1.00 0.00 C ATOM 406 C CYS A 30 1.899 -9.101 -5.922 1.00 0.00 C ATOM 407 O CYS A 30 2.443 -8.471 -5.017 1.00 0.00 O ATOM 408 CB CYS A 30 -0.520 -9.785 -5.589 1.00 0.00 C ATOM 409 SG CYS A 30 0.139 -11.491 -5.658 1.00 0.00 S ATOM 0 H CYS A 30 -0.522 -9.383 -8.068 1.00 0.00 H new ATOM 0 HA CYS A 30 0.163 -7.826 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.656 -9.481 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.500 -9.746 -6.064 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.844 -12.339 -5.593 1.00 0.00 H new ATOM 415 N ASP A 31 2.489 -10.046 -6.640 1.00 0.00 N ATOM 416 CA ASP A 31 3.874 -10.414 -6.397 1.00 0.00 C ATOM 417 C ASP A 31 4.780 -9.234 -6.752 1.00 0.00 C ATOM 418 O ASP A 31 5.555 -8.769 -5.917 1.00 0.00 O ATOM 419 CB ASP A 31 4.286 -11.605 -7.264 1.00 0.00 C ATOM 420 CG ASP A 31 5.793 -11.750 -7.489 1.00 0.00 C ATOM 421 OD1 ASP A 31 6.525 -11.701 -6.477 1.00 0.00 O ATOM 422 OD2 ASP A 31 6.178 -11.907 -8.668 1.00 0.00 O ATOM 0 H ASP A 31 2.034 -10.567 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 31 3.973 -10.682 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.913 -12.519 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.796 -11.516 -8.234 1.00 0.00 H new ATOM 427 N GLU A 32 4.654 -8.784 -7.992 1.00 0.00 N ATOM 428 CA GLU A 32 5.453 -7.667 -8.467 1.00 0.00 C ATOM 429 C GLU A 32 5.204 -6.430 -7.602 1.00 0.00 C ATOM 430 O GLU A 32 6.146 -5.825 -7.093 1.00 0.00 O ATOM 431 CB GLU A 32 5.162 -7.373 -9.940 1.00 0.00 C ATOM 432 CG GLU A 32 6.453 -7.074 -10.705 1.00 0.00 C ATOM 433 CD GLU A 32 6.774 -8.193 -11.698 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.072 -8.254 -12.730 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.714 -8.961 -11.402 1.00 0.00 O ATOM 0 H GLU A 32 4.011 -9.173 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 32 6.506 -7.938 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.657 -8.227 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.484 -6.523 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.354 -6.128 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.278 -6.959 -10.002 1.00 0.00 H new ATOM 442 N ALA A 33 3.931 -6.092 -7.461 1.00 0.00 N ATOM 443 CA ALA A 33 3.547 -4.938 -6.666 1.00 0.00 C ATOM 444 C ALA A 33 4.439 -4.859 -5.426 1.00 0.00 C ATOM 445 O ALA A 33 5.131 -3.864 -5.217 1.00 0.00 O ATOM 446 CB ALA A 33 2.062 -5.034 -6.311 1.00 0.00 C ATOM 0 H ALA A 33 3.152 -6.597 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 33 3.688 -4.017 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.774 -4.168 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.470 -5.058 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.883 -5.944 -5.739 1.00 0.00 H new ATOM 452 N LYS A 34 4.394 -5.921 -4.635 1.00 0.00 N ATOM 453 CA LYS A 34 5.189 -5.984 -3.421 1.00 0.00 C ATOM 454 C LYS A 34 6.614 -5.516 -3.724 1.00 0.00 C ATOM 455 O LYS A 34 7.147 -4.648 -3.034 1.00 0.00 O ATOM 456 CB LYS A 34 5.120 -7.384 -2.807 1.00 0.00 C ATOM 457 CG LYS A 34 3.713 -7.687 -2.289 1.00 0.00 C ATOM 458 CD LYS A 34 3.465 -9.195 -2.224 1.00 0.00 C ATOM 459 CE LYS A 34 2.814 -9.587 -0.896 1.00 0.00 C ATOM 460 NZ LYS A 34 3.847 -9.921 0.110 1.00 0.00 N ATOM 0 H LYS A 34 3.819 -6.745 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 34 4.785 -5.309 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.404 -8.126 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.837 -7.462 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.585 -7.251 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.974 -7.221 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.823 -9.497 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.409 -9.728 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.195 -8.767 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.154 -10.442 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.391 -10.313 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.503 -10.623 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.373 -9.061 0.366 1.00 0.00 H new ATOM 474 N GLU A 35 7.190 -6.110 -4.759 1.00 0.00 N ATOM 475 CA GLU A 35 8.543 -5.765 -5.162 1.00 0.00 C ATOM 476 C GLU A 35 8.664 -4.254 -5.373 1.00 0.00 C ATOM 477 O GLU A 35 9.740 -3.684 -5.200 1.00 0.00 O ATOM 478 CB GLU A 35 8.950 -6.528 -6.424 1.00 0.00 C ATOM 479 CG GLU A 35 8.570 -8.007 -6.317 1.00 0.00 C ATOM 480 CD GLU A 35 9.545 -8.882 -7.106 1.00 0.00 C ATOM 481 OE1 GLU A 35 9.833 -8.509 -8.264 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.981 -9.905 -6.534 1.00 0.00 O ATOM 0 H GLU A 35 6.745 -6.828 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 35 9.225 -6.057 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.464 -6.086 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.025 -6.435 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.568 -8.311 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.558 -8.154 -6.693 1.00 0.00 H new ATOM 489 N VAL A 36 7.545 -3.648 -5.743 1.00 0.00 N ATOM 490 CA VAL A 36 7.513 -2.215 -5.978 1.00 0.00 C ATOM 491 C VAL A 36 7.433 -1.484 -4.637 1.00 0.00 C ATOM 492 O VAL A 36 7.743 -0.296 -4.554 1.00 0.00 O ATOM 493 CB VAL A 36 6.359 -1.865 -6.920 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.452 -0.411 -7.385 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.316 -2.821 -8.113 1.00 0.00 C ATOM 0 H VAL A 36 6.654 -4.124 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 36 8.428 -1.888 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 36 5.428 -1.980 -6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.620 -0.189 -8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.410 0.251 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.393 -0.258 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.487 -2.550 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.252 -2.753 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.178 -3.842 -7.756 1.00 0.00 H new ATOM 505 N LEU A 37 7.016 -2.223 -3.620 1.00 0.00 N ATOM 506 CA LEU A 37 6.891 -1.660 -2.286 1.00 0.00 C ATOM 507 C LEU A 37 8.084 -2.102 -1.437 1.00 0.00 C ATOM 508 O LEU A 37 8.030 -2.050 -0.209 1.00 0.00 O ATOM 509 CB LEU A 37 5.535 -2.022 -1.677 1.00 0.00 C ATOM 510 CG LEU A 37 4.309 -1.413 -2.360 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.072 -1.523 -1.466 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.580 0.030 -2.788 1.00 0.00 C ATOM 0 H LEU A 37 6.760 -3.208 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 37 6.915 -0.571 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.432 -3.107 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.535 -1.714 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 37 4.104 -1.984 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.215 -1.083 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.868 -2.573 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.251 -0.992 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.693 0.439 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.825 0.630 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.416 0.051 -3.487 1.00 0.00 H new ATOM 524 N GLN A 38 9.134 -2.526 -2.125 1.00 0.00 N ATOM 525 CA GLN A 38 10.339 -2.977 -1.449 1.00 0.00 C ATOM 526 C GLN A 38 11.050 -1.795 -0.787 1.00 0.00 C ATOM 527 O GLN A 38 11.388 -1.851 0.394 1.00 0.00 O ATOM 528 CB GLN A 38 11.272 -3.705 -2.419 1.00 0.00 C ATOM 529 CG GLN A 38 11.201 -5.219 -2.216 1.00 0.00 C ATOM 530 CD GLN A 38 12.603 -5.829 -2.141 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.866 -6.755 -1.391 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.484 -5.260 -2.958 1.00 0.00 N ATOM 0 H GLN A 38 9.175 -2.567 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 38 10.053 -3.685 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.999 -3.459 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.296 -3.362 -2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.654 -5.441 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.646 -5.674 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.197 -4.488 -3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.447 -5.595 -2.983 1.00 0.00 H new ATOM 541 N PRO A 39 11.262 -0.724 -1.599 1.00 0.00 N ATOM 542 CA PRO A 39 11.926 0.470 -1.104 1.00 0.00 C ATOM 543 C PRO A 39 10.991 1.288 -0.211 1.00 0.00 C ATOM 544 O PRO A 39 11.373 2.344 0.290 1.00 0.00 O ATOM 545 CB PRO A 39 12.364 1.221 -2.351 1.00 0.00 C ATOM 546 CG PRO A 39 11.527 0.662 -3.490 1.00 0.00 C ATOM 547 CD PRO A 39 10.875 -0.622 -3.003 1.00 0.00 C ATOM 0 HA PRO A 39 12.783 0.243 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.203 2.293 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.428 1.076 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.769 1.383 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.151 0.466 -4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.791 -0.583 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.222 -1.484 -3.573 1.00 0.00 H new ATOM 555 N TYR A 40 9.785 0.768 -0.038 1.00 0.00 N ATOM 556 CA TYR A 40 8.793 1.437 0.786 1.00 0.00 C ATOM 557 C TYR A 40 8.225 0.485 1.841 1.00 0.00 C ATOM 558 O TYR A 40 7.136 0.712 2.366 1.00 0.00 O ATOM 559 CB TYR A 40 7.668 1.855 -0.163 1.00 0.00 C ATOM 560 CG TYR A 40 8.145 2.655 -1.377 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.372 4.012 -1.264 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.347 2.020 -2.586 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.820 4.765 -2.406 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.795 2.774 -3.729 1.00 0.00 C ATOM 565 CZ TYR A 40 9.009 4.109 -3.582 1.00 0.00 C ATOM 566 OH TYR A 40 9.433 4.820 -4.661 1.00 0.00 O ATOM 0 H TYR A 40 9.472 -0.109 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 40 9.237 2.285 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.148 0.962 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.942 2.451 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.213 4.509 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.169 0.958 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.002 5.827 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.957 2.290 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 40 9.526 4.221 -5.431 1.00 0.00 H new ATOM 576 N LYS A 41 8.990 -0.561 2.121 1.00 0.00 N ATOM 577 CA LYS A 41 8.577 -1.548 3.104 1.00 0.00 C ATOM 578 C LYS A 41 8.888 -1.024 4.508 1.00 0.00 C ATOM 579 O LYS A 41 8.330 -1.506 5.492 1.00 0.00 O ATOM 580 CB LYS A 41 9.212 -2.906 2.800 1.00 0.00 C ATOM 581 CG LYS A 41 10.722 -2.872 3.046 1.00 0.00 C ATOM 582 CD LYS A 41 11.070 -3.488 4.402 1.00 0.00 C ATOM 583 CE LYS A 41 12.284 -4.412 4.289 1.00 0.00 C ATOM 584 NZ LYS A 41 12.570 -5.055 5.591 1.00 0.00 N ATOM 0 H LYS A 41 9.893 -0.746 1.684 1.00 0.00 H new ATOM 0 HA LYS A 41 7.500 -1.708 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.755 -3.673 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.015 -3.180 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.236 -3.416 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.077 -1.842 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.277 -2.697 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.216 -4.049 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.098 -5.175 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.153 -3.842 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.397 -5.679 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.768 -4.324 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.746 -5.615 5.890 1.00 0.00 H new ATOM 598 N ASP A 42 9.778 -0.043 4.555 1.00 0.00 N ATOM 599 CA ASP A 42 10.170 0.551 5.822 1.00 0.00 C ATOM 600 C ASP A 42 9.548 1.944 5.941 1.00 0.00 C ATOM 601 O ASP A 42 9.511 2.520 7.027 1.00 0.00 O ATOM 602 CB ASP A 42 11.689 0.702 5.913 1.00 0.00 C ATOM 603 CG ASP A 42 12.244 0.815 7.334 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.790 1.734 8.049 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.110 -0.020 7.673 1.00 0.00 O ATOM 0 H ASP A 42 10.238 0.355 3.736 1.00 0.00 H new ATOM 0 HA ASP A 42 9.824 -0.103 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.154 -0.154 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.985 1.588 5.352 1.00 0.00 H new ATOM 610 N ARG A 43 9.077 2.445 4.808 1.00 0.00 N ATOM 611 CA ARG A 43 8.459 3.760 4.772 1.00 0.00 C ATOM 612 C ARG A 43 7.110 3.733 5.494 1.00 0.00 C ATOM 613 O ARG A 43 6.705 4.726 6.096 1.00 0.00 O ATOM 614 CB ARG A 43 8.249 4.229 3.331 1.00 0.00 C ATOM 615 CG ARG A 43 9.561 4.720 2.717 1.00 0.00 C ATOM 616 CD ARG A 43 9.413 6.141 2.170 1.00 0.00 C ATOM 617 NE ARG A 43 9.869 6.192 0.762 1.00 0.00 N ATOM 618 CZ ARG A 43 11.155 6.243 0.391 1.00 0.00 C ATOM 619 NH1 ARG A 43 12.121 6.252 1.319 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.475 6.287 -0.910 1.00 0.00 N ATOM 0 H ARG A 43 9.111 1.964 3.909 1.00 0.00 H new ATOM 0 HA ARG A 43 9.130 4.456 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.848 3.411 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.511 5.031 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.350 4.696 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.865 4.048 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.372 6.458 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.996 6.835 2.775 1.00 0.00 H new ATOM 0 HE ARG A 43 9.160 6.188 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.877 6.220 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.100 6.291 1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.739 6.282 -1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.454 6.326 -1.193 1.00 0.00 H new ATOM 634 N PHE A 44 6.453 2.585 5.411 1.00 0.00 N ATOM 635 CA PHE A 44 5.159 2.416 6.049 1.00 0.00 C ATOM 636 C PHE A 44 4.921 0.953 6.426 1.00 0.00 C ATOM 637 O PHE A 44 5.760 0.094 6.159 1.00 0.00 O ATOM 638 CB PHE A 44 4.099 2.848 5.033 1.00 0.00 C ATOM 639 CG PHE A 44 4.275 2.224 3.647 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.093 0.888 3.475 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.615 3.006 2.588 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.256 0.309 2.189 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.778 2.428 1.302 1.00 0.00 C ATOM 644 CZ PHE A 44 4.595 1.091 1.129 1.00 0.00 C ATOM 0 H PHE A 44 6.793 1.763 4.912 1.00 0.00 H new ATOM 0 HA PHE A 44 5.114 3.010 6.962 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.114 2.584 5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.123 3.934 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.824 0.267 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.761 4.067 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.111 -0.752 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.047 3.049 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.719 0.651 0.151 1.00 0.00 H new ATOM 654 N ILE A 45 3.772 0.713 7.041 1.00 0.00 N ATOM 655 CA ILE A 45 3.412 -0.632 7.457 1.00 0.00 C ATOM 656 C ILE A 45 2.546 -1.282 6.376 1.00 0.00 C ATOM 657 O ILE A 45 1.347 -1.022 6.298 1.00 0.00 O ATOM 658 CB ILE A 45 2.755 -0.608 8.839 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.717 -0.056 9.893 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.223 -1.991 9.217 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.953 0.642 11.020 1.00 0.00 C ATOM 0 H ILE A 45 3.078 1.427 7.261 1.00 0.00 H new ATOM 0 HA ILE A 45 4.304 -1.249 7.564 1.00 0.00 H new ATOM 0 HB ILE A 45 1.899 0.066 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.317 -0.868 10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.408 0.647 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.761 -1.946 10.203 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.482 -2.309 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.046 -2.705 9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.660 1.025 11.756 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.373 1.468 10.609 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.281 -0.070 11.499 1.00 0.00 H new ATOM 673 N LEU A 46 3.188 -2.114 5.570 1.00 0.00 N ATOM 674 CA LEU A 46 2.491 -2.803 4.497 1.00 0.00 C ATOM 675 C LEU A 46 1.581 -3.878 5.093 1.00 0.00 C ATOM 676 O LEU A 46 2.054 -4.927 5.527 1.00 0.00 O ATOM 677 CB LEU A 46 3.489 -3.343 3.470 1.00 0.00 C ATOM 678 CG LEU A 46 2.884 -3.977 2.216 1.00 0.00 C ATOM 679 CD1 LEU A 46 2.028 -2.968 1.449 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.972 -4.593 1.334 1.00 0.00 C ATOM 0 H LEU A 46 4.183 -2.327 5.638 1.00 0.00 H new ATOM 0 HA LEU A 46 1.851 -2.109 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.141 -2.526 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.119 -4.085 3.960 1.00 0.00 H new ATOM 0 HG LEU A 46 2.224 -4.787 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.610 -3.445 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.218 -2.618 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.645 -2.121 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.515 -5.037 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.675 -3.818 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.502 -5.364 1.894 1.00 0.00 H new ATOM 692 N GLN A 47 0.290 -3.580 5.096 1.00 0.00 N ATOM 693 CA GLN A 47 -0.691 -4.508 5.632 1.00 0.00 C ATOM 694 C GLN A 47 -1.263 -5.381 4.513 1.00 0.00 C ATOM 695 O GLN A 47 -2.159 -4.956 3.786 1.00 0.00 O ATOM 696 CB GLN A 47 -1.806 -3.762 6.369 1.00 0.00 C ATOM 697 CG GLN A 47 -2.385 -4.618 7.497 1.00 0.00 C ATOM 698 CD GLN A 47 -3.662 -3.991 8.061 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.505 -3.481 7.340 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.758 -4.056 9.386 1.00 0.00 N ATOM 0 H GLN A 47 -0.099 -2.709 4.736 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.193 -5.156 6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.416 -2.830 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.596 -3.496 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.601 -5.619 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.647 -4.726 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.016 -4.497 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.573 -3.665 9.858 1.00 0.00 H new ATOM 709 N GLU A 48 -0.721 -6.586 4.411 1.00 0.00 N ATOM 710 CA GLU A 48 -1.166 -7.522 3.393 1.00 0.00 C ATOM 711 C GLU A 48 -2.492 -8.165 3.806 1.00 0.00 C ATOM 712 O GLU A 48 -2.522 -9.024 4.686 1.00 0.00 O ATOM 713 CB GLU A 48 -0.101 -8.587 3.125 1.00 0.00 C ATOM 714 CG GLU A 48 0.713 -8.246 1.875 1.00 0.00 C ATOM 715 CD GLU A 48 2.192 -8.584 2.075 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.464 -9.747 2.442 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.017 -7.670 1.857 1.00 0.00 O ATOM 0 H GLU A 48 0.022 -6.935 5.016 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.325 -6.972 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.563 -8.667 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.577 -9.559 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.322 -8.798 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.606 -7.186 1.645 1.00 0.00 H new ATOM 724 N VAL A 49 -3.556 -7.723 3.152 1.00 0.00 N ATOM 725 CA VAL A 49 -4.882 -8.244 3.440 1.00 0.00 C ATOM 726 C VAL A 49 -5.224 -9.341 2.430 1.00 0.00 C ATOM 727 O VAL A 49 -5.209 -9.105 1.223 1.00 0.00 O ATOM 728 CB VAL A 49 -5.901 -7.103 3.453 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.323 -7.641 3.622 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.568 -6.082 4.543 1.00 0.00 C ATOM 0 H VAL A 49 -3.527 -7.010 2.423 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.908 -8.696 4.432 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.847 -6.594 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.028 -6.810 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.559 -8.311 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.396 -8.186 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.308 -5.282 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.580 -6.572 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.578 -5.664 4.360 1.00 0.00 H new ATOM 740 N ASP A 50 -5.526 -10.517 2.961 1.00 0.00 N ATOM 741 CA ASP A 50 -5.872 -11.650 2.120 1.00 0.00 C ATOM 742 C ASP A 50 -7.352 -11.565 1.740 1.00 0.00 C ATOM 743 O ASP A 50 -8.223 -11.874 2.552 1.00 0.00 O ATOM 744 CB ASP A 50 -5.649 -12.972 2.859 1.00 0.00 C ATOM 745 CG ASP A 50 -4.293 -13.633 2.605 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.276 -12.924 2.765 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.304 -14.834 2.256 1.00 0.00 O ATOM 0 H ASP A 50 -5.538 -10.709 3.963 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.237 -11.619 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.755 -12.795 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.436 -13.669 2.571 1.00 0.00 H new ATOM 752 N ILE A 51 -7.590 -11.145 0.506 1.00 0.00 N ATOM 753 CA ILE A 51 -8.949 -11.015 0.009 1.00 0.00 C ATOM 754 C ILE A 51 -9.452 -12.385 -0.450 1.00 0.00 C ATOM 755 O ILE A 51 -10.642 -12.558 -0.711 1.00 0.00 O ATOM 756 CB ILE A 51 -9.022 -9.938 -1.075 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.121 -10.290 -2.260 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.700 -8.558 -0.499 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.572 -9.561 -3.527 1.00 0.00 C ATOM 0 H ILE A 51 -6.865 -10.890 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.615 -10.680 0.804 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.045 -9.899 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.090 -10.022 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.141 -11.367 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.759 -7.811 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.418 -8.314 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.694 -8.564 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.915 -9.829 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.595 -9.850 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.528 -8.484 -3.363 1.00 0.00 H new ATOM 771 N THR A 52 -8.521 -13.324 -0.536 1.00 0.00 N ATOM 772 CA THR A 52 -8.855 -14.673 -0.960 1.00 0.00 C ATOM 773 C THR A 52 -9.532 -15.437 0.179 1.00 0.00 C ATOM 774 O THR A 52 -9.899 -16.600 0.020 1.00 0.00 O ATOM 775 CB THR A 52 -7.574 -15.342 -1.463 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.743 -15.413 -0.307 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.790 -14.453 -2.430 1.00 0.00 C ATOM 0 H THR A 52 -7.535 -13.177 -0.319 1.00 0.00 H new ATOM 0 HA THR A 52 -9.576 -14.663 -1.777 1.00 0.00 H new ATOM 0 HB THR A 52 -7.825 -16.282 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.891 -15.836 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.891 -14.975 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.410 -14.222 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.510 -13.527 -1.927 1.00 0.00 H new ATOM 785 N LEU A 53 -9.678 -14.752 1.304 1.00 0.00 N ATOM 786 CA LEU A 53 -10.305 -15.352 2.470 1.00 0.00 C ATOM 787 C LEU A 53 -11.818 -15.134 2.399 1.00 0.00 C ATOM 788 O LEU A 53 -12.289 -14.260 1.673 1.00 0.00 O ATOM 789 CB LEU A 53 -9.667 -14.820 3.755 1.00 0.00 C ATOM 790 CG LEU A 53 -8.338 -15.462 4.159 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.724 -14.741 5.361 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.508 -16.961 4.415 1.00 0.00 C ATOM 0 H LEU A 53 -9.373 -13.787 1.433 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.138 -16.429 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.510 -13.747 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.376 -14.954 4.572 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.640 -15.355 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.780 -15.217 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.544 -13.697 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.409 -14.795 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.549 -17.392 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.228 -17.113 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.869 -17.446 3.508 1.00 0.00 H new ATOM 804 N PRO A 54 -12.556 -15.966 3.182 1.00 0.00 N ATOM 805 CA PRO A 54 -14.005 -15.873 3.214 1.00 0.00 C ATOM 806 C PRO A 54 -14.459 -14.655 4.021 1.00 0.00 C ATOM 807 O PRO A 54 -15.404 -13.968 3.638 1.00 0.00 O ATOM 808 CB PRO A 54 -14.471 -17.190 3.814 1.00 0.00 C ATOM 809 CG PRO A 54 -13.260 -17.777 4.521 1.00 0.00 C ATOM 810 CD PRO A 54 -12.032 -17.014 4.053 1.00 0.00 C ATOM 0 HA PRO A 54 -14.439 -15.726 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.293 -17.032 4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.836 -17.865 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.372 -17.694 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.161 -18.838 4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.484 -16.592 4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.341 -17.665 3.517 1.00 0.00 H new ATOM 818 N GLU A 55 -13.762 -14.424 5.125 1.00 0.00 N ATOM 819 CA GLU A 55 -14.081 -13.301 5.990 1.00 0.00 C ATOM 820 C GLU A 55 -13.714 -11.983 5.305 1.00 0.00 C ATOM 821 O GLU A 55 -14.250 -10.930 5.648 1.00 0.00 O ATOM 822 CB GLU A 55 -13.376 -13.431 7.341 1.00 0.00 C ATOM 823 CG GLU A 55 -11.858 -13.320 7.180 1.00 0.00 C ATOM 824 CD GLU A 55 -11.158 -13.373 8.539 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.058 -14.494 9.083 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.738 -12.291 9.004 1.00 0.00 O ATOM 0 H GLU A 55 -12.978 -14.996 5.440 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.155 -13.305 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.731 -12.653 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.628 -14.389 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.495 -14.131 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.609 -12.387 6.675 1.00 0.00 H new ATOM 833 N ASN A 56 -12.803 -12.083 4.348 1.00 0.00 N ATOM 834 CA ASN A 56 -12.359 -10.912 3.612 1.00 0.00 C ATOM 835 C ASN A 56 -12.966 -10.937 2.207 1.00 0.00 C ATOM 836 O ASN A 56 -12.637 -10.098 1.370 1.00 0.00 O ATOM 837 CB ASN A 56 -10.835 -10.898 3.468 1.00 0.00 C ATOM 838 CG ASN A 56 -10.156 -10.832 4.837 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.662 -10.251 5.783 1.00 0.00 O ATOM 840 ND2 ASN A 56 -8.984 -11.459 4.890 1.00 0.00 N ATOM 0 H ASN A 56 -12.360 -12.957 4.065 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.678 -10.027 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.508 -11.793 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.531 -10.042 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.452 -11.473 5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.618 -11.926 4.061 1.00 0.00 H new ATOM 847 N SER A 57 -13.841 -11.909 1.993 1.00 0.00 N ATOM 848 CA SER A 57 -14.497 -12.054 0.705 1.00 0.00 C ATOM 849 C SER A 57 -15.018 -10.697 0.227 1.00 0.00 C ATOM 850 O SER A 57 -15.177 -10.477 -0.973 1.00 0.00 O ATOM 851 CB SER A 57 -15.643 -13.065 0.781 1.00 0.00 C ATOM 852 OG SER A 57 -16.365 -13.146 -0.445 1.00 0.00 O ATOM 0 H SER A 57 -14.111 -12.603 2.690 1.00 0.00 H new ATOM 0 HA SER A 57 -13.765 -12.428 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.244 -14.048 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.323 -12.782 1.584 1.00 0.00 H new ATOM 0 HG SER A 57 -17.087 -13.803 -0.357 1.00 0.00 H new ATOM 858 N THR A 58 -15.268 -9.822 1.190 1.00 0.00 N ATOM 859 CA THR A 58 -15.767 -8.492 0.883 1.00 0.00 C ATOM 860 C THR A 58 -14.706 -7.685 0.133 1.00 0.00 C ATOM 861 O THR A 58 -14.940 -7.235 -0.988 1.00 0.00 O ATOM 862 CB THR A 58 -16.214 -7.841 2.193 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.555 -8.291 2.365 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.343 -6.321 2.076 1.00 0.00 C ATOM 0 H THR A 58 -15.134 -10.008 2.184 1.00 0.00 H new ATOM 0 HA THR A 58 -16.628 -8.536 0.216 1.00 0.00 H new ATOM 0 HB THR A 58 -15.502 -8.086 2.981 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.922 -7.917 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.663 -5.908 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.379 -5.894 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.080 -6.076 1.311 1.00 0.00 H new ATOM 872 N TRP A 59 -13.562 -7.524 0.782 1.00 0.00 N ATOM 873 CA TRP A 59 -12.464 -6.778 0.191 1.00 0.00 C ATOM 874 C TRP A 59 -12.296 -7.250 -1.255 1.00 0.00 C ATOM 875 O TRP A 59 -11.945 -6.462 -2.132 1.00 0.00 O ATOM 876 CB TRP A 59 -11.188 -6.930 1.021 1.00 0.00 C ATOM 877 CG TRP A 59 -11.121 -6.002 2.235 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.278 -6.320 3.527 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.871 -4.580 2.217 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.148 -5.213 4.340 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.893 -4.121 3.518 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.634 -3.711 1.138 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.685 -2.780 3.862 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.429 -2.374 1.497 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.447 -1.896 2.802 1.00 0.00 C ATOM 0 H TRP A 59 -13.372 -7.898 1.712 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.682 -5.710 0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.109 -7.963 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.326 -6.738 0.382 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.481 -7.318 3.887 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.225 -5.198 5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.612 -4.049 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.707 -2.445 4.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.244 -1.664 0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.278 -0.847 2.998 1.00 0.00 H new ATOM 896 N TYR A 60 -12.556 -8.533 -1.459 1.00 0.00 N ATOM 897 CA TYR A 60 -12.438 -9.119 -2.784 1.00 0.00 C ATOM 898 C TYR A 60 -13.635 -8.742 -3.659 1.00 0.00 C ATOM 899 O TYR A 60 -13.465 -8.190 -4.745 1.00 0.00 O ATOM 900 CB TYR A 60 -12.431 -10.635 -2.575 1.00 0.00 C ATOM 901 CG TYR A 60 -12.016 -11.432 -3.813 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.957 -11.770 -4.764 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.699 -11.811 -3.980 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.566 -12.520 -5.929 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.308 -12.561 -5.145 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.261 -12.879 -6.062 1.00 0.00 C ATOM 907 OH TYR A 60 -10.891 -13.587 -7.163 1.00 0.00 O ATOM 0 H TYR A 60 -12.848 -9.183 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.537 -8.761 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.752 -10.875 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.427 -10.954 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.987 -11.472 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.962 -11.545 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.293 -12.791 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.281 -12.864 -5.288 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.929 -13.772 -7.125 1.00 0.00 H new ATOM 917 N GLU A 61 -14.819 -9.054 -3.153 1.00 0.00 N ATOM 918 CA GLU A 61 -16.044 -8.755 -3.874 1.00 0.00 C ATOM 919 C GLU A 61 -16.037 -7.302 -4.352 1.00 0.00 C ATOM 920 O GLU A 61 -16.653 -6.974 -5.365 1.00 0.00 O ATOM 921 CB GLU A 61 -17.274 -9.042 -3.011 1.00 0.00 C ATOM 922 CG GLU A 61 -17.486 -10.548 -2.842 1.00 0.00 C ATOM 923 CD GLU A 61 -18.751 -11.008 -3.569 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.846 -10.667 -3.072 1.00 0.00 O ATOM 925 OE2 GLU A 61 -18.595 -11.691 -4.604 1.00 0.00 O ATOM 0 H GLU A 61 -14.956 -9.511 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.095 -9.405 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.153 -8.576 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.157 -8.596 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.622 -11.087 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.562 -10.792 -1.782 1.00 0.00 H new ATOM 932 N ARG A 62 -15.333 -6.468 -3.599 1.00 0.00 N ATOM 933 CA ARG A 62 -15.238 -5.057 -3.933 1.00 0.00 C ATOM 934 C ARG A 62 -14.022 -4.804 -4.827 1.00 0.00 C ATOM 935 O ARG A 62 -14.033 -3.892 -5.652 1.00 0.00 O ATOM 936 CB ARG A 62 -15.123 -4.199 -2.672 1.00 0.00 C ATOM 937 CG ARG A 62 -13.778 -4.425 -1.977 1.00 0.00 C ATOM 938 CD ARG A 62 -13.521 -3.349 -0.919 1.00 0.00 C ATOM 939 NE ARG A 62 -14.304 -3.642 0.302 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.467 -2.780 1.315 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.902 -1.566 1.259 1.00 0.00 N ATOM 942 NH2 ARG A 62 -15.195 -3.132 2.383 1.00 0.00 N ATOM 0 H ARG A 62 -14.823 -6.743 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.148 -4.780 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.229 -3.146 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.936 -4.441 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.767 -5.410 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.976 -4.413 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.458 -3.310 -0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.795 -2.369 -1.311 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.747 -4.557 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.348 -1.298 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.026 -0.910 2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.625 -4.056 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.319 -2.476 3.154 1.00 0.00 H new ATOM 956 N TYR A 63 -13.003 -5.628 -4.633 1.00 0.00 N ATOM 957 CA TYR A 63 -11.782 -5.505 -5.411 1.00 0.00 C ATOM 958 C TYR A 63 -11.266 -6.880 -5.842 1.00 0.00 C ATOM 959 O TYR A 63 -10.238 -7.343 -5.350 1.00 0.00 O ATOM 960 CB TYR A 63 -10.754 -4.856 -4.482 1.00 0.00 C ATOM 961 CG TYR A 63 -11.077 -3.406 -4.114 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.382 -2.494 -5.104 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.062 -3.011 -2.792 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.686 -1.130 -4.757 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.366 -1.647 -2.445 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.663 -0.774 -3.444 1.00 0.00 C ATOM 967 OH TYR A 63 -11.949 0.515 -3.117 1.00 0.00 O ATOM 0 H TYR A 63 -12.998 -6.384 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.959 -4.919 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.683 -5.445 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.775 -4.890 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.393 -2.803 -6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.822 -3.725 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.927 -0.406 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.358 -1.325 -1.414 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.896 0.625 -2.145 1.00 0.00 H new ATOM 977 N LYS A 64 -12.003 -7.493 -6.756 1.00 0.00 N ATOM 978 CA LYS A 64 -11.632 -8.805 -7.259 1.00 0.00 C ATOM 979 C LYS A 64 -10.990 -8.654 -8.640 1.00 0.00 C ATOM 980 O LYS A 64 -10.278 -9.547 -9.097 1.00 0.00 O ATOM 981 CB LYS A 64 -12.839 -9.746 -7.242 1.00 0.00 C ATOM 982 CG LYS A 64 -13.900 -9.295 -8.247 1.00 0.00 C ATOM 983 CD LYS A 64 -15.227 -10.017 -8.005 1.00 0.00 C ATOM 984 CE LYS A 64 -16.368 -9.018 -7.809 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.301 -9.495 -6.763 1.00 0.00 N ATOM 0 H LYS A 64 -12.855 -7.106 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.888 -9.266 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.517 -10.760 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.269 -9.773 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.048 -8.218 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.553 -9.494 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.450 -10.668 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.143 -10.655 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.964 -8.046 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.904 -8.881 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.184 -9.819 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.865 -10.283 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.510 -8.718 -6.104 1.00 0.00 H new ATOM 999 N PHE A 65 -11.264 -7.518 -9.264 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.721 -7.239 -10.583 1.00 0.00 C ATOM 1001 C PHE A 65 -10.039 -5.870 -10.617 1.00 0.00 C ATOM 1002 O PHE A 65 -9.632 -5.402 -11.679 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.900 -7.233 -11.559 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.169 -6.589 -10.998 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.222 -5.243 -10.809 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.244 -7.362 -10.688 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.400 -4.645 -10.289 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.422 -6.764 -10.168 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.476 -5.418 -9.979 1.00 0.00 C ATOM 0 H PHE A 65 -11.855 -6.780 -8.881 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.978 -7.991 -10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.606 -6.703 -12.465 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.124 -8.260 -11.849 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.368 -4.629 -11.055 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.202 -8.431 -10.837 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.442 -3.576 -10.139 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.276 -7.378 -9.922 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.372 -4.963 -9.583 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.934 -5.268 -9.441 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.308 -3.962 -9.323 1.00 0.00 C ATOM 1021 C ASP A 66 -8.106 -4.061 -8.382 1.00 0.00 C ATOM 1022 O ASP A 66 -7.766 -3.096 -7.700 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.281 -2.935 -8.740 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.762 -3.241 -8.975 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.242 -4.222 -8.366 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.380 -2.488 -9.758 1.00 0.00 O ATOM 0 H ASP A 66 -10.272 -5.660 -8.562 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.002 -3.644 -10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.107 -2.860 -7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.055 -1.959 -9.168 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.495 -5.237 -8.376 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.338 -5.474 -7.531 1.00 0.00 C ATOM 1033 C ILE A 67 -5.083 -5.557 -8.402 1.00 0.00 C ATOM 1034 O ILE A 67 -5.176 -5.739 -9.615 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.559 -6.708 -6.654 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.608 -7.637 -7.269 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.919 -6.306 -5.222 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.815 -8.881 -6.402 1.00 0.00 C ATOM 0 H ILE A 67 -7.780 -6.036 -8.943 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.194 -4.642 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.623 -7.265 -6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.552 -7.104 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.294 -7.935 -8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.071 -7.202 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.109 -5.715 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.834 -5.714 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.565 -9.524 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.874 -9.425 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.153 -8.581 -5.410 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.908 -5.415 -7.732 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.886 -5.203 -6.295 1.00 0.00 C ATOM 1052 C PRO A 68 -4.297 -3.771 -5.946 1.00 0.00 C ATOM 1053 O PRO A 68 -4.043 -2.844 -6.713 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.465 -5.533 -5.870 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.625 -5.468 -7.135 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.573 -5.454 -8.323 1.00 0.00 C ATOM 0 HA PRO A 68 -4.602 -5.832 -5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.105 -4.823 -5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.413 -6.523 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.001 -4.574 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.954 -6.325 -7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.397 -4.587 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.441 -6.339 -8.945 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.926 -3.636 -4.788 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.375 -2.332 -4.328 1.00 0.00 C ATOM 1066 C VAL A 69 -4.465 -1.855 -3.194 1.00 0.00 C ATOM 1067 O VAL A 69 -3.930 -2.666 -2.440 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.849 -2.399 -3.924 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.270 -1.134 -3.174 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.742 -2.636 -5.143 1.00 0.00 C ATOM 0 H VAL A 69 -5.136 -4.407 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.305 -1.598 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.973 -3.246 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.322 -1.208 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.666 -1.027 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.123 -0.265 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.784 -2.679 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.612 -1.820 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.467 -3.578 -5.618 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.318 -0.541 -3.110 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.482 0.053 -2.081 1.00 0.00 C ATOM 1082 C PHE A 70 -4.207 1.207 -1.385 1.00 0.00 C ATOM 1083 O PHE A 70 -4.532 2.211 -2.015 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.234 0.598 -2.778 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.363 -0.480 -3.426 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.634 -0.905 -4.689 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.316 -1.012 -2.739 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.825 -1.906 -5.290 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.492 -2.013 -3.341 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.221 -2.438 -4.604 1.00 0.00 C ATOM 0 H PHE A 70 -4.763 0.129 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.234 -0.693 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.540 1.312 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.635 1.147 -2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.464 -0.482 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.099 -0.673 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.041 -2.245 -6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.322 -2.437 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.837 -3.198 -5.062 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.439 1.024 -0.093 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.119 2.037 0.696 1.00 0.00 C ATOM 1102 C HIS A 71 -4.134 2.666 1.682 1.00 0.00 C ATOM 1103 O HIS A 71 -3.608 1.985 2.561 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.354 1.450 1.384 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.442 1.019 0.430 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.704 0.640 0.854 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.444 0.911 -0.930 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.424 0.320 -0.211 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.641 0.488 -1.315 1.00 0.00 N ATOM 0 H HIS A 71 -4.168 0.189 0.427 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.481 2.831 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.050 0.592 1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.761 2.191 2.072 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.025 0.612 1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.612 1.132 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.451 -0.015 -0.206 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.914 3.961 1.504 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.001 4.691 2.368 1.00 0.00 C ATOM 1119 C LEU A 72 -3.806 5.503 3.383 1.00 0.00 C ATOM 1120 O LEU A 72 -4.568 6.393 3.008 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.034 5.533 1.534 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.547 5.353 1.847 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.291 6.442 1.172 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.307 5.298 3.356 1.00 0.00 C ATOM 0 H LEU A 72 -4.352 4.523 0.774 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.378 4.000 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.194 5.299 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.289 6.584 1.669 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.225 4.397 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.344 6.291 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.153 6.391 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.026 7.421 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.758 5.170 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.650 6.226 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.857 4.459 3.782 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.611 5.168 4.650 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.309 5.855 5.723 1.00 0.00 C ATOM 1138 C ASN A 73 -5.815 5.628 5.573 1.00 0.00 C ATOM 1139 O ASN A 73 -6.595 6.579 5.590 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.052 7.363 5.671 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.836 7.741 6.519 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -2.820 7.592 7.730 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.820 8.236 5.817 1.00 0.00 N ATOM 0 H ASN A 73 -2.979 4.429 4.958 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.944 5.459 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.890 7.673 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.931 7.898 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.962 8.517 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.899 8.334 4.805 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.178 4.362 5.430 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.577 3.997 5.277 1.00 0.00 C ATOM 1152 C GLY A 74 -8.230 4.792 4.145 1.00 0.00 C ATOM 1153 O GLY A 74 -9.366 5.246 4.276 1.00 0.00 O ATOM 0 H GLY A 74 -5.528 3.576 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.658 2.930 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.109 4.182 6.210 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.485 4.937 3.060 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.977 5.670 1.906 1.00 0.00 C ATOM 1159 C GLN A 75 -7.280 5.186 0.632 1.00 0.00 C ATOM 1160 O GLN A 75 -6.061 5.295 0.508 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.792 7.177 2.093 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.142 7.898 2.100 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.959 9.402 2.315 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.268 9.847 3.217 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -9.613 10.157 1.438 1.00 0.00 N ATOM 0 H GLN A 75 -6.543 4.559 2.955 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.045 5.478 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.268 7.369 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.168 7.573 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.657 7.722 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.773 7.488 2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.174 9.720 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.554 11.174 1.496 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.084 4.661 -0.281 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.559 4.161 -1.540 1.00 0.00 C ATOM 1176 C PHE A 76 -6.494 5.103 -2.104 1.00 0.00 C ATOM 1177 O PHE A 76 -6.784 6.257 -2.416 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.733 4.093 -2.519 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.374 4.494 -3.951 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.595 3.678 -4.710 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.834 5.667 -4.465 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.261 4.050 -6.039 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.500 6.039 -5.794 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.721 5.223 -6.553 1.00 0.00 C ATOM 0 H PHE A 76 -9.094 4.571 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.098 3.185 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.129 3.077 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.530 4.744 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.230 2.747 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.453 6.315 -3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.642 3.402 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.865 6.970 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.467 5.506 -7.564 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.284 4.576 -2.218 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.174 5.356 -2.739 1.00 0.00 C ATOM 1196 C LEU A 77 -4.022 5.081 -4.237 1.00 0.00 C ATOM 1197 O LEU A 77 -3.841 6.007 -5.026 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.903 5.085 -1.932 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.653 4.741 -2.744 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.045 5.997 -3.373 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.638 3.978 -1.891 1.00 0.00 C ATOM 0 H LEU A 77 -5.048 3.618 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.372 6.422 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.687 5.965 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.102 4.264 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.947 4.082 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.158 5.725 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.775 6.462 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.769 6.700 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.241 3.746 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.344 4.592 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.087 3.052 -1.532 1.00 0.00 H new ATOM 1213 N MET A 78 -4.101 3.805 -4.582 1.00 0.00 N ATOM 1214 CA MET A 78 -3.974 3.396 -5.971 1.00 0.00 C ATOM 1215 C MET A 78 -4.226 1.895 -6.126 1.00 0.00 C ATOM 1216 O MET A 78 -3.941 1.117 -5.217 1.00 0.00 O ATOM 1217 CB MET A 78 -2.570 3.733 -6.476 1.00 0.00 C ATOM 1218 CG MET A 78 -1.533 2.767 -5.899 1.00 0.00 C ATOM 1219 SD MET A 78 0.105 3.454 -6.075 1.00 0.00 S ATOM 1220 CE MET A 78 0.971 2.511 -4.831 1.00 0.00 C ATOM 0 H MET A 78 -4.251 3.040 -3.924 1.00 0.00 H new ATOM 0 HA MET A 78 -4.719 3.933 -6.558 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.550 3.686 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.315 4.755 -6.197 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.746 2.578 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.591 1.808 -6.414 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.046 2.642 -4.958 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.678 2.859 -3.841 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.719 1.455 -4.934 1.00 0.00 H new ATOM 1230 N MET A 79 -4.758 1.533 -7.285 1.00 0.00 N ATOM 1231 CA MET A 79 -5.051 0.140 -7.571 1.00 0.00 C ATOM 1232 C MET A 79 -4.759 -0.193 -9.035 1.00 0.00 C ATOM 1233 O MET A 79 -4.757 0.693 -9.888 1.00 0.00 O ATOM 1234 CB MET A 79 -6.523 -0.145 -7.266 1.00 0.00 C ATOM 1235 CG MET A 79 -7.436 0.838 -8.002 1.00 0.00 C ATOM 1236 SD MET A 79 -9.146 0.418 -7.712 1.00 0.00 S ATOM 1237 CE MET A 79 -9.818 2.044 -7.413 1.00 0.00 C ATOM 0 H MET A 79 -4.993 2.181 -8.036 1.00 0.00 H new ATOM 0 HA MET A 79 -4.413 -0.482 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.768 -1.165 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.696 -0.073 -6.192 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.240 1.854 -7.661 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.223 0.814 -9.071 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.897 2.025 -7.564 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.601 2.345 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.367 2.757 -8.104 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.520 -1.473 -9.282 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.227 -1.933 -10.629 1.00 0.00 C ATOM 1249 C HIS A 80 -2.725 -1.819 -10.895 1.00 0.00 C ATOM 1250 O HIS A 80 -2.277 -1.989 -12.028 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.070 -1.177 -11.657 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.475 -0.871 -11.194 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.268 0.094 -11.791 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.220 -1.413 -10.188 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.434 0.123 -11.164 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.402 -0.811 -10.171 1.00 0.00 N ATOM 0 H HIS A 80 -4.523 -2.206 -8.572 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.499 -2.984 -10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.569 -0.242 -11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.120 -1.765 -12.573 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.000 0.683 -12.580 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.902 -2.199 -9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.265 0.772 -11.398 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.988 -1.533 -9.831 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.545 -1.395 -9.936 1.00 0.00 C ATOM 1266 C ARG A 81 0.005 -0.642 -8.723 1.00 0.00 C ATOM 1267 O ARG A 81 -0.702 -0.447 -7.735 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.155 -0.647 -11.212 1.00 0.00 C ATOM 1269 CG ARG A 81 0.510 -1.589 -12.218 1.00 0.00 C ATOM 1270 CD ARG A 81 0.454 -1.009 -13.633 1.00 0.00 C ATOM 1271 NE ARG A 81 1.635 -1.450 -14.408 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.829 -2.706 -14.832 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.921 -3.653 -14.559 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.930 -3.016 -15.529 1.00 0.00 N ATOM 0 H ARG A 81 -2.363 -1.393 -8.893 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.117 -2.397 -9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.041 -0.198 -11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.526 0.168 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.548 -1.759 -11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.012 -2.558 -12.198 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.460 -1.332 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.424 0.080 -13.588 1.00 0.00 H new ATOM 0 HE ARG A 81 2.346 -0.754 -14.634 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.082 -3.418 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.069 -4.609 -14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.621 -2.296 -15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.077 -3.972 -15.851 1.00 0.00 H new ATOM 1288 N VAL A 82 1.262 -0.238 -8.837 1.00 0.00 N ATOM 1289 CA VAL A 82 1.915 0.489 -7.762 1.00 0.00 C ATOM 1290 C VAL A 82 2.628 1.713 -8.341 1.00 0.00 C ATOM 1291 O VAL A 82 3.840 1.688 -8.550 1.00 0.00 O ATOM 1292 CB VAL A 82 2.854 -0.443 -6.995 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.546 0.298 -5.849 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.105 -1.673 -6.479 1.00 0.00 C ATOM 0 H VAL A 82 1.845 -0.401 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 82 1.180 0.850 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 82 3.624 -0.785 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.208 -0.387 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.128 1.127 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.795 0.683 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.796 -2.319 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.304 -1.357 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.681 -2.220 -7.321 1.00 0.00 H new ATOM 1304 N ASN A 83 1.846 2.755 -8.582 1.00 0.00 N ATOM 1305 CA ASN A 83 2.387 3.986 -9.131 1.00 0.00 C ATOM 1306 C ASN A 83 3.248 4.678 -8.072 1.00 0.00 C ATOM 1307 O ASN A 83 2.788 5.598 -7.398 1.00 0.00 O ATOM 1308 CB ASN A 83 1.268 4.949 -9.534 1.00 0.00 C ATOM 1309 CG ASN A 83 1.027 4.909 -11.044 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.970 3.859 -11.662 1.00 0.00 O ATOM 1311 ND2 ASN A 83 0.890 6.109 -11.602 1.00 0.00 N ATOM 0 H ASN A 83 0.841 2.772 -8.407 1.00 0.00 H new ATOM 0 HA ASN A 83 2.977 3.731 -10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.350 4.686 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.529 5.963 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.726 6.189 -12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.949 6.949 -11.026 1.00 0.00 H new ATOM 1318 N THR A 84 4.481 4.208 -7.958 1.00 0.00 N ATOM 1319 CA THR A 84 5.410 4.769 -6.992 1.00 0.00 C ATOM 1320 C THR A 84 5.224 6.285 -6.892 1.00 0.00 C ATOM 1321 O THR A 84 5.040 6.820 -5.800 1.00 0.00 O ATOM 1322 CB THR A 84 6.825 4.356 -7.402 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.966 4.865 -8.726 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.969 2.842 -7.567 1.00 0.00 C ATOM 0 H THR A 84 4.859 3.444 -8.519 1.00 0.00 H new ATOM 0 HA THR A 84 5.221 4.383 -5.990 1.00 0.00 H new ATOM 0 HB THR A 84 7.536 4.708 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.857 4.643 -9.069 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.992 2.603 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.736 2.349 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.282 2.493 -8.337 1.00 0.00 H new ATOM 1332 N SER A 85 5.279 6.933 -8.047 1.00 0.00 N ATOM 1333 CA SER A 85 5.118 8.376 -8.103 1.00 0.00 C ATOM 1334 C SER A 85 4.006 8.816 -7.149 1.00 0.00 C ATOM 1335 O SER A 85 4.207 9.709 -6.326 1.00 0.00 O ATOM 1336 CB SER A 85 4.811 8.841 -9.528 1.00 0.00 C ATOM 1337 OG SER A 85 5.807 9.729 -10.026 1.00 0.00 O ATOM 0 H SER A 85 5.433 6.485 -8.951 1.00 0.00 H new ATOM 0 HA SER A 85 6.056 8.837 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.738 7.974 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.841 9.338 -9.546 1.00 0.00 H new ATOM 0 HG SER A 85 5.576 10.002 -10.938 1.00 0.00 H new ATOM 1343 N LYS A 86 2.858 8.170 -7.291 1.00 0.00 N ATOM 1344 CA LYS A 86 1.714 8.485 -6.452 1.00 0.00 C ATOM 1345 C LYS A 86 2.046 8.146 -4.997 1.00 0.00 C ATOM 1346 O LYS A 86 2.032 9.022 -4.134 1.00 0.00 O ATOM 1347 CB LYS A 86 0.458 7.785 -6.975 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.730 8.749 -7.015 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.557 8.548 -8.286 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.466 7.323 -8.161 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.861 7.676 -8.506 1.00 0.00 N ATOM 0 H LYS A 86 2.695 7.430 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 86 1.496 9.552 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.646 7.392 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.219 6.934 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.359 8.593 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.370 9.777 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.161 9.435 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.892 8.426 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.111 6.531 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.424 6.934 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.465 6.834 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.202 8.417 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.899 8.026 -9.485 1.00 0.00 H new ATOM 1365 N LEU A 87 2.335 6.873 -4.770 1.00 0.00 N ATOM 1366 CA LEU A 87 2.670 6.408 -3.435 1.00 0.00 C ATOM 1367 C LEU A 87 3.555 7.447 -2.745 1.00 0.00 C ATOM 1368 O LEU A 87 3.130 8.094 -1.789 1.00 0.00 O ATOM 1369 CB LEU A 87 3.292 5.011 -3.494 1.00 0.00 C ATOM 1370 CG LEU A 87 4.186 4.625 -2.315 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.468 4.854 -0.984 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.688 3.186 -2.455 1.00 0.00 C ATOM 0 H LEU A 87 2.344 6.149 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 87 1.769 6.305 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.487 4.280 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.879 4.934 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 87 5.062 5.274 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.126 4.571 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.202 5.907 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.563 4.247 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.321 2.937 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.837 2.505 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.263 3.089 -3.376 1.00 0.00 H new ATOM 1384 N GLU A 88 4.771 7.575 -3.256 1.00 0.00 N ATOM 1385 CA GLU A 88 5.720 8.524 -2.700 1.00 0.00 C ATOM 1386 C GLU A 88 5.031 9.861 -2.418 1.00 0.00 C ATOM 1387 O GLU A 88 5.155 10.408 -1.324 1.00 0.00 O ATOM 1388 CB GLU A 88 6.918 8.712 -3.634 1.00 0.00 C ATOM 1389 CG GLU A 88 7.518 7.362 -4.034 1.00 0.00 C ATOM 1390 CD GLU A 88 9.039 7.457 -4.169 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.682 7.765 -3.143 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.524 7.219 -5.296 1.00 0.00 O ATOM 0 H GLU A 88 5.121 7.037 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 88 6.094 8.124 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.606 9.254 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.677 9.319 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.262 6.610 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.085 7.033 -4.979 1.00 0.00 H new ATOM 1399 N LYS A 89 4.319 10.347 -3.424 1.00 0.00 N ATOM 1400 CA LYS A 89 3.610 11.609 -3.297 1.00 0.00 C ATOM 1401 C LYS A 89 2.910 11.662 -1.938 1.00 0.00 C ATOM 1402 O LYS A 89 3.210 12.525 -1.115 1.00 0.00 O ATOM 1403 CB LYS A 89 2.665 11.814 -4.484 1.00 0.00 C ATOM 1404 CG LYS A 89 2.431 13.303 -4.747 1.00 0.00 C ATOM 1405 CD LYS A 89 1.443 13.889 -3.736 1.00 0.00 C ATOM 1406 CE LYS A 89 0.157 14.346 -4.428 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.629 15.224 -3.533 1.00 0.00 N ATOM 0 H LYS A 89 4.218 9.890 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 89 4.310 12.444 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.086 11.346 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.713 11.322 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.378 13.840 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.048 13.442 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.207 13.142 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.902 14.732 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.401 14.879 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.439 13.478 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.498 15.525 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.878 14.704 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.064 16.061 -3.284 1.00 0.00 H new ATOM 1421 N GLN A 90 1.991 10.727 -1.744 1.00 0.00 N ATOM 1422 CA GLN A 90 1.247 10.656 -0.498 1.00 0.00 C ATOM 1423 C GLN A 90 2.207 10.602 0.692 1.00 0.00 C ATOM 1424 O GLN A 90 2.100 11.405 1.618 1.00 0.00 O ATOM 1425 CB GLN A 90 0.299 9.455 -0.493 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.750 9.580 -1.600 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.590 10.845 -1.419 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.606 10.856 -0.744 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.111 11.909 -2.058 1.00 0.00 N ATOM 0 H GLN A 90 1.745 10.012 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 90 0.640 11.557 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.869 8.536 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.196 9.382 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.257 9.602 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.399 8.704 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.255 11.832 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.600 12.802 -1.999 1.00 0.00 H new ATOM 1438 N LEU A 91 3.124 9.648 0.628 1.00 0.00 N ATOM 1439 CA LEU A 91 4.103 9.479 1.689 1.00 0.00 C ATOM 1440 C LEU A 91 4.558 10.854 2.181 1.00 0.00 C ATOM 1441 O LEU A 91 4.372 11.193 3.349 1.00 0.00 O ATOM 1442 CB LEU A 91 5.251 8.582 1.221 1.00 0.00 C ATOM 1443 CG LEU A 91 4.947 7.084 1.155 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.959 6.358 0.266 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.878 6.477 2.558 1.00 0.00 C ATOM 0 H LEU A 91 3.210 8.984 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 91 3.656 8.967 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.564 8.913 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.099 8.732 1.890 1.00 0.00 H new ATOM 0 HG LEU A 91 3.966 6.954 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.720 5.295 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.917 6.768 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.962 6.493 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.661 5.412 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.834 6.618 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.090 6.969 3.129 1.00 0.00 H new