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 63 TYR OH : rot 0:sc= -1.42 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -8.97! C(o=-10!,f=-8.8!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -117:sc= 1.22 (180deg=0.00271) USER MOD Set 2.2: A 60 TYR OH : rot 30:sc= 0.0725 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 30 CYS SG : rot 130:sc= -2.15 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.809 K(o=-0.81,f=-0.1) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.861 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 56 ASN : amide:sc= -1.02 K(o=-1,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 64 LYS NZ :NH3+ -112:sc= -1.27! (180deg=-6.06!) USER MOD Single : A 73 ASN : amide:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 159:sc= -2.41! (180deg=-2.52!) USER MOD Single : A 79 MET CE :methyl 157:sc= -0.032 (180deg=-1.59) USER MOD Single : A 80 HIS : no HE2:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0205 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= -0.826 X(o=-0.83,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.375 7.625 13.350 1.00 0.00 N ATOM 170 CA ALA A 15 5.054 7.113 13.026 1.00 0.00 C ATOM 171 C ALA A 15 4.883 7.080 11.506 1.00 0.00 C ATOM 172 O ALA A 15 5.045 8.099 10.837 1.00 0.00 O ATOM 173 CB ALA A 15 3.991 7.972 13.713 1.00 0.00 C ATOM 0 HA ALA A 15 4.937 6.093 13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.000 7.588 13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.138 7.939 14.792 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.076 9.002 13.367 1.00 0.00 H new ATOM 179 N LEU A 16 4.558 5.897 11.005 1.00 0.00 N ATOM 180 CA LEU A 16 4.364 5.718 9.576 1.00 0.00 C ATOM 181 C LEU A 16 2.921 5.283 9.313 1.00 0.00 C ATOM 182 O LEU A 16 2.261 4.740 10.198 1.00 0.00 O ATOM 183 CB LEU A 16 5.410 4.755 9.010 1.00 0.00 C ATOM 184 CG LEU A 16 6.864 5.053 9.377 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.773 3.875 9.020 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.337 6.357 8.733 1.00 0.00 C ATOM 0 H LEU A 16 4.424 5.054 11.563 1.00 0.00 H new ATOM 0 HA LEU A 16 4.514 6.660 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.169 3.748 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.323 4.754 7.923 1.00 0.00 H new ATOM 0 HG LEU A 16 6.922 5.188 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.801 4.114 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.450 2.988 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.716 3.683 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.374 6.545 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.261 6.276 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.714 7.181 9.080 1.00 0.00 H new ATOM 198 N PRO A 17 2.461 5.544 8.060 1.00 0.00 N ATOM 199 CA PRO A 17 1.108 5.185 7.669 1.00 0.00 C ATOM 200 C PRO A 17 0.986 3.678 7.437 1.00 0.00 C ATOM 201 O PRO A 17 1.982 3.002 7.183 1.00 0.00 O ATOM 202 CB PRO A 17 0.830 6.003 6.418 1.00 0.00 C ATOM 203 CG PRO A 17 2.190 6.433 5.891 1.00 0.00 C ATOM 204 CD PRO A 17 3.214 6.185 6.986 1.00 0.00 C ATOM 0 HA PRO A 17 0.374 5.405 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.293 5.412 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.208 6.869 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.447 5.870 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.176 7.487 5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.023 5.546 6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.668 7.117 7.322 1.00 0.00 H new ATOM 212 N VAL A 18 -0.244 3.194 7.533 1.00 0.00 N ATOM 213 CA VAL A 18 -0.509 1.779 7.336 1.00 0.00 C ATOM 214 C VAL A 18 -1.075 1.561 5.932 1.00 0.00 C ATOM 215 O VAL A 18 -2.253 1.817 5.686 1.00 0.00 O ATOM 216 CB VAL A 18 -1.434 1.262 8.440 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.008 -0.109 8.077 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.707 1.214 9.786 1.00 0.00 C ATOM 0 H VAL A 18 -1.068 3.757 7.745 1.00 0.00 H new ATOM 0 HA VAL A 18 0.414 1.204 7.407 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.267 1.959 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.662 -0.453 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.578 -0.031 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.193 -0.820 7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.386 0.843 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.154 0.549 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.370 2.215 10.053 1.00 0.00 H new ATOM 228 N LEU A 19 -0.209 1.089 5.046 1.00 0.00 N ATOM 229 CA LEU A 19 -0.608 0.834 3.673 1.00 0.00 C ATOM 230 C LEU A 19 -1.231 -0.560 3.578 1.00 0.00 C ATOM 231 O LEU A 19 -0.534 -1.566 3.709 1.00 0.00 O ATOM 232 CB LEU A 19 0.574 1.045 2.724 1.00 0.00 C ATOM 233 CG LEU A 19 0.262 0.936 1.230 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.171 2.289 0.661 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.447 0.345 0.464 1.00 0.00 C ATOM 0 H LEU A 19 0.767 0.877 5.253 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.371 1.547 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.997 2.031 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.345 0.315 2.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.576 0.250 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.387 2.184 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.065 2.633 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.630 3.015 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.199 0.278 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.319 0.986 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.668 -0.651 0.848 1.00 0.00 H new ATOM 247 N THR A 20 -2.536 -0.576 3.353 1.00 0.00 N ATOM 248 CA THR A 20 -3.261 -1.830 3.239 1.00 0.00 C ATOM 249 C THR A 20 -3.102 -2.413 1.834 1.00 0.00 C ATOM 250 O THR A 20 -3.714 -1.928 0.884 1.00 0.00 O ATOM 251 CB THR A 20 -4.718 -1.571 3.628 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.629 -0.908 4.886 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.480 -2.861 3.939 1.00 0.00 C ATOM 0 H THR A 20 -3.111 0.260 3.246 1.00 0.00 H new ATOM 0 HA THR A 20 -2.857 -2.583 3.916 1.00 0.00 H new ATOM 0 HB THR A 20 -5.220 -1.040 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.530 -0.701 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.508 -2.620 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.477 -3.506 3.060 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.998 -3.377 4.769 1.00 0.00 H new ATOM 261 N LEU A 21 -2.276 -3.445 1.746 1.00 0.00 N ATOM 262 CA LEU A 21 -2.028 -4.100 0.473 1.00 0.00 C ATOM 263 C LEU A 21 -2.945 -5.318 0.343 1.00 0.00 C ATOM 264 O LEU A 21 -2.949 -6.191 1.210 1.00 0.00 O ATOM 265 CB LEU A 21 -0.542 -4.429 0.320 1.00 0.00 C ATOM 266 CG LEU A 21 -0.205 -5.584 -0.626 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.692 -5.290 -2.046 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.291 -5.905 -0.588 1.00 0.00 C ATOM 0 H LEU A 21 -1.770 -3.844 2.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.269 -3.431 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.027 -3.535 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.139 -4.663 1.305 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.734 -6.473 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.440 -6.127 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.773 -5.149 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.211 -4.384 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.504 -6.729 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.860 -5.026 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.577 -6.188 0.425 1.00 0.00 H new ATOM 280 N PHE A 22 -3.699 -5.338 -0.746 1.00 0.00 N ATOM 281 CA PHE A 22 -4.617 -6.434 -1.000 1.00 0.00 C ATOM 282 C PHE A 22 -4.121 -7.309 -2.153 1.00 0.00 C ATOM 283 O PHE A 22 -4.313 -6.972 -3.320 1.00 0.00 O ATOM 284 CB PHE A 22 -5.960 -5.812 -1.389 1.00 0.00 C ATOM 285 CG PHE A 22 -6.704 -5.158 -0.223 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.255 -5.931 0.751 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.814 -3.804 -0.161 1.00 0.00 C ATOM 288 CE1 PHE A 22 -7.945 -5.324 1.833 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.505 -3.197 0.921 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.055 -3.970 1.896 1.00 0.00 C ATOM 0 H PHE A 22 -3.693 -4.612 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.701 -7.062 -0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.792 -5.064 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.594 -6.585 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.168 -7.006 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.376 -3.190 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.383 -5.938 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.594 -2.122 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.579 -3.508 2.720 1.00 0.00 H new ATOM 300 N THR A 23 -3.492 -8.416 -1.785 1.00 0.00 N ATOM 301 CA THR A 23 -2.967 -9.342 -2.774 1.00 0.00 C ATOM 302 C THR A 23 -3.798 -10.626 -2.797 1.00 0.00 C ATOM 303 O THR A 23 -4.573 -10.885 -1.877 1.00 0.00 O ATOM 304 CB THR A 23 -1.489 -9.581 -2.460 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.195 -10.822 -3.095 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.242 -9.854 -0.975 1.00 0.00 C ATOM 0 H THR A 23 -3.334 -8.692 -0.816 1.00 0.00 H new ATOM 0 HA THR A 23 -3.038 -8.928 -3.780 1.00 0.00 H new ATOM 0 HB THR A 23 -0.908 -8.713 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.255 -11.052 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.177 -10.017 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.575 -8.999 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.797 -10.741 -0.671 1.00 0.00 H new ATOM 314 N LYS A 24 -3.609 -11.397 -3.858 1.00 0.00 N ATOM 315 CA LYS A 24 -4.332 -12.648 -4.012 1.00 0.00 C ATOM 316 C LYS A 24 -3.515 -13.599 -4.889 1.00 0.00 C ATOM 317 O LYS A 24 -2.401 -13.271 -5.297 1.00 0.00 O ATOM 318 CB LYS A 24 -5.745 -12.389 -4.537 1.00 0.00 C ATOM 319 CG LYS A 24 -5.706 -11.774 -5.938 1.00 0.00 C ATOM 320 CD LYS A 24 -6.352 -12.706 -6.964 1.00 0.00 C ATOM 321 CE LYS A 24 -7.639 -12.097 -7.524 1.00 0.00 C ATOM 322 NZ LYS A 24 -8.560 -13.161 -7.984 1.00 0.00 N ATOM 0 H LYS A 24 -2.966 -11.180 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.460 -13.135 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.304 -13.324 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.272 -11.720 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.226 -10.816 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.673 -11.574 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.652 -12.898 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.572 -13.667 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.126 -11.493 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.402 -11.430 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.711 -13.070 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.146 -14.092 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.471 -13.069 -7.490 1.00 0.00 H new ATOM 385 N LEU A 29 0.546 -9.588 -10.475 1.00 0.00 N ATOM 386 CA LEU A 29 0.502 -8.145 -10.307 1.00 0.00 C ATOM 387 C LEU A 29 0.596 -7.807 -8.818 1.00 0.00 C ATOM 388 O LEU A 29 1.070 -6.733 -8.450 1.00 0.00 O ATOM 389 CB LEU A 29 -0.735 -7.563 -10.993 1.00 0.00 C ATOM 390 CG LEU A 29 -0.913 -7.920 -12.471 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.840 -6.922 -13.168 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.441 -8.032 -13.174 1.00 0.00 C ATOM 0 HA LEU A 29 1.357 -7.678 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.619 -7.898 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.699 -6.477 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.389 -8.898 -12.532 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.950 -7.198 -14.217 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.817 -6.935 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.414 -5.921 -13.099 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.287 -8.286 -14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.967 -7.080 -13.105 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.036 -8.810 -12.696 1.00 0.00 H new ATOM 404 N CYS A 30 0.136 -8.743 -8.001 1.00 0.00 N ATOM 405 CA CYS A 30 0.162 -8.557 -6.560 1.00 0.00 C ATOM 406 C CYS A 30 1.585 -8.825 -6.067 1.00 0.00 C ATOM 407 O CYS A 30 2.216 -7.951 -5.475 1.00 0.00 O ATOM 408 CB CYS A 30 -0.863 -9.448 -5.856 1.00 0.00 C ATOM 409 SG CYS A 30 -2.559 -8.930 -6.310 1.00 0.00 S ATOM 0 H CYS A 30 -0.257 -9.632 -8.309 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.119 -7.532 -6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.705 -10.490 -6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.731 -9.385 -4.776 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.242 -9.968 -6.691 1.00 0.00 H new ATOM 415 N ASP A 31 2.049 -10.039 -6.328 1.00 0.00 N ATOM 416 CA ASP A 31 3.386 -10.433 -5.918 1.00 0.00 C ATOM 417 C ASP A 31 4.381 -9.342 -6.320 1.00 0.00 C ATOM 418 O ASP A 31 5.139 -8.851 -5.485 1.00 0.00 O ATOM 419 CB ASP A 31 3.810 -11.735 -6.601 1.00 0.00 C ATOM 420 CG ASP A 31 3.031 -12.977 -6.166 1.00 0.00 C ATOM 421 OD1 ASP A 31 1.804 -12.838 -5.971 1.00 0.00 O ATOM 422 OD2 ASP A 31 3.679 -14.038 -6.039 1.00 0.00 O ATOM 0 H ASP A 31 1.523 -10.762 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 31 3.378 -10.578 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.700 -11.615 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.869 -11.902 -6.405 1.00 0.00 H new ATOM 427 N GLU A 32 4.345 -8.996 -7.598 1.00 0.00 N ATOM 428 CA GLU A 32 5.234 -7.972 -8.121 1.00 0.00 C ATOM 429 C GLU A 32 5.060 -6.668 -7.339 1.00 0.00 C ATOM 430 O GLU A 32 6.034 -6.100 -6.848 1.00 0.00 O ATOM 431 CB GLU A 32 4.997 -7.751 -9.616 1.00 0.00 C ATOM 432 CG GLU A 32 6.317 -7.513 -10.352 1.00 0.00 C ATOM 433 CD GLU A 32 6.625 -8.664 -11.312 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.383 -9.821 -10.906 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.096 -8.361 -12.429 1.00 0.00 O ATOM 0 H GLU A 32 3.714 -9.406 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 32 6.262 -8.313 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.492 -8.619 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.337 -6.896 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.264 -6.576 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.127 -7.411 -9.630 1.00 0.00 H new ATOM 442 N ALA A 33 3.813 -6.232 -7.249 1.00 0.00 N ATOM 443 CA ALA A 33 3.499 -5.006 -6.535 1.00 0.00 C ATOM 444 C ALA A 33 4.375 -4.910 -5.285 1.00 0.00 C ATOM 445 O ALA A 33 5.110 -3.940 -5.111 1.00 0.00 O ATOM 446 CB ALA A 33 2.005 -4.975 -6.205 1.00 0.00 C ATOM 0 H ALA A 33 3.008 -6.705 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 33 3.713 -4.135 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.770 -4.055 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.427 -5.015 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.752 -5.833 -5.582 1.00 0.00 H new ATOM 452 N LYS A 34 4.266 -5.930 -4.446 1.00 0.00 N ATOM 453 CA LYS A 34 5.039 -5.973 -3.216 1.00 0.00 C ATOM 454 C LYS A 34 6.491 -5.597 -3.519 1.00 0.00 C ATOM 455 O LYS A 34 7.063 -4.733 -2.857 1.00 0.00 O ATOM 456 CB LYS A 34 4.885 -7.333 -2.534 1.00 0.00 C ATOM 457 CG LYS A 34 3.420 -7.611 -2.190 1.00 0.00 C ATOM 458 CD LYS A 34 3.007 -9.012 -2.646 1.00 0.00 C ATOM 459 CE LYS A 34 2.404 -9.810 -1.488 1.00 0.00 C ATOM 460 NZ LYS A 34 3.353 -10.847 -1.024 1.00 0.00 N ATOM 0 H LYS A 34 3.654 -6.733 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 34 4.662 -5.241 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.264 -8.117 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.487 -7.359 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.271 -7.516 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.783 -6.867 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.282 -8.936 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.874 -9.539 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.158 -9.139 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.472 -10.278 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.928 -11.379 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.567 -11.497 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.231 -10.394 -0.701 1.00 0.00 H new ATOM 474 N GLU A 35 7.046 -6.267 -4.518 1.00 0.00 N ATOM 475 CA GLU A 35 8.421 -6.014 -4.916 1.00 0.00 C ATOM 476 C GLU A 35 8.625 -4.525 -5.203 1.00 0.00 C ATOM 477 O GLU A 35 9.733 -4.010 -5.064 1.00 0.00 O ATOM 478 CB GLU A 35 8.805 -6.864 -6.129 1.00 0.00 C ATOM 479 CG GLU A 35 8.328 -8.308 -5.961 1.00 0.00 C ATOM 480 CD GLU A 35 9.178 -9.267 -6.796 1.00 0.00 C ATOM 481 OE1 GLU A 35 8.983 -9.270 -8.031 1.00 0.00 O ATOM 482 OE2 GLU A 35 10.004 -9.976 -6.181 1.00 0.00 O ATOM 0 H GLU A 35 6.569 -6.985 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 35 9.076 -6.298 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.368 -6.436 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.887 -6.848 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.380 -8.592 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.283 -8.387 -6.261 1.00 0.00 H new ATOM 489 N VAL A 36 7.540 -3.876 -5.597 1.00 0.00 N ATOM 490 CA VAL A 36 7.586 -2.457 -5.904 1.00 0.00 C ATOM 491 C VAL A 36 7.521 -1.656 -4.602 1.00 0.00 C ATOM 492 O VAL A 36 7.890 -0.483 -4.572 1.00 0.00 O ATOM 493 CB VAL A 36 6.468 -2.097 -6.884 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.652 -0.679 -7.429 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.388 -3.115 -8.023 1.00 0.00 C ATOM 0 H VAL A 36 6.623 -4.307 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 36 8.525 -2.203 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 36 5.524 -2.128 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.844 -0.448 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.636 0.033 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.608 -0.610 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.585 -2.835 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.334 -3.131 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.187 -4.105 -7.613 1.00 0.00 H new ATOM 505 N LEU A 37 7.048 -2.321 -3.558 1.00 0.00 N ATOM 506 CA LEU A 37 6.930 -1.685 -2.257 1.00 0.00 C ATOM 507 C LEU A 37 8.091 -2.134 -1.368 1.00 0.00 C ATOM 508 O LEU A 37 8.061 -1.935 -0.154 1.00 0.00 O ATOM 509 CB LEU A 37 5.552 -1.956 -1.652 1.00 0.00 C ATOM 510 CG LEU A 37 4.360 -1.357 -2.402 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.104 -1.360 -1.528 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.690 0.041 -2.928 1.00 0.00 C ATOM 0 H LEU A 37 6.742 -3.294 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 37 7.003 -0.602 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.411 -3.035 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.543 -1.573 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 37 4.150 -1.985 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.272 -0.929 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.860 -2.384 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.284 -0.769 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.826 0.444 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.941 0.694 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.538 -0.018 -3.610 1.00 0.00 H new ATOM 524 N GLN A 38 9.088 -2.730 -2.006 1.00 0.00 N ATOM 525 CA GLN A 38 10.257 -3.209 -1.288 1.00 0.00 C ATOM 526 C GLN A 38 11.004 -2.036 -0.650 1.00 0.00 C ATOM 527 O GLN A 38 11.306 -2.062 0.542 1.00 0.00 O ATOM 528 CB GLN A 38 11.177 -4.009 -2.211 1.00 0.00 C ATOM 529 CG GLN A 38 11.047 -5.511 -1.947 1.00 0.00 C ATOM 530 CD GLN A 38 12.424 -6.165 -1.812 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.638 -7.061 -1.012 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.341 -5.669 -2.637 1.00 0.00 N ATOM 0 H GLN A 38 9.110 -2.892 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 38 9.924 -3.877 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.929 -3.796 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.210 -3.698 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.471 -5.675 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.496 -5.981 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.094 -4.919 -3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.291 -6.039 -2.625 1.00 0.00 H new ATOM 541 N PRO A 39 11.289 -1.008 -1.494 1.00 0.00 N ATOM 542 CA PRO A 39 11.996 0.171 -1.025 1.00 0.00 C ATOM 543 C PRO A 39 11.077 1.066 -0.191 1.00 0.00 C ATOM 544 O PRO A 39 11.495 2.121 0.283 1.00 0.00 O ATOM 545 CB PRO A 39 12.503 0.853 -2.286 1.00 0.00 C ATOM 546 CG PRO A 39 11.673 0.289 -3.427 1.00 0.00 C ATOM 547 CD PRO A 39 10.947 -0.943 -2.912 1.00 0.00 C ATOM 0 HA PRO A 39 12.824 -0.072 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.389 1.935 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.564 0.653 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.959 1.032 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.311 0.030 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.870 -0.857 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.269 -1.841 -3.439 1.00 0.00 H new ATOM 555 N TYR A 40 9.842 0.611 -0.038 1.00 0.00 N ATOM 556 CA TYR A 40 8.860 1.357 0.731 1.00 0.00 C ATOM 557 C TYR A 40 8.323 0.520 1.894 1.00 0.00 C ATOM 558 O TYR A 40 7.378 0.924 2.571 1.00 0.00 O ATOM 559 CB TYR A 40 7.713 1.663 -0.234 1.00 0.00 C ATOM 560 CG TYR A 40 8.138 2.444 -1.479 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.131 3.824 -1.463 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.530 1.769 -2.617 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.531 4.559 -2.635 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.931 2.504 -3.788 1.00 0.00 C ATOM 565 CZ TYR A 40 8.912 3.863 -3.740 1.00 0.00 C ATOM 566 OH TYR A 40 9.290 4.557 -4.846 1.00 0.00 O ATOM 0 H TYR A 40 9.499 -0.264 -0.433 1.00 0.00 H new ATOM 0 HA TYR A 40 9.306 2.259 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.254 0.725 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.948 2.232 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.826 4.352 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.536 0.689 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.529 5.639 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.240 1.988 -4.685 1.00 0.00 H new ATOM 0 HH TYR A 40 9.537 3.930 -5.557 1.00 0.00 H new ATOM 576 N LYS A 41 8.947 -0.632 2.090 1.00 0.00 N ATOM 577 CA LYS A 41 8.544 -1.530 3.159 1.00 0.00 C ATOM 578 C LYS A 41 8.716 -0.823 4.505 1.00 0.00 C ATOM 579 O LYS A 41 7.939 -1.046 5.431 1.00 0.00 O ATOM 580 CB LYS A 41 9.301 -2.856 3.059 1.00 0.00 C ATOM 581 CG LYS A 41 10.761 -2.687 3.485 1.00 0.00 C ATOM 582 CD LYS A 41 11.463 -4.043 3.584 1.00 0.00 C ATOM 583 CE LYS A 41 12.013 -4.274 4.993 1.00 0.00 C ATOM 584 NZ LYS A 41 13.493 -4.280 4.977 1.00 0.00 N ATOM 0 H LYS A 41 9.729 -0.965 1.526 1.00 0.00 H new ATOM 0 HA LYS A 41 7.488 -1.785 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.819 -3.603 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.258 -3.227 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.283 -2.055 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.806 -2.179 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.763 -4.838 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.277 -4.089 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.654 -3.493 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.644 -5.223 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.850 -4.438 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.830 -5.041 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.840 -3.365 4.625 1.00 0.00 H new ATOM 598 N ASP A 42 9.741 0.015 4.570 1.00 0.00 N ATOM 599 CA ASP A 42 10.025 0.756 5.787 1.00 0.00 C ATOM 600 C ASP A 42 9.349 2.126 5.715 1.00 0.00 C ATOM 601 O ASP A 42 9.197 2.802 6.732 1.00 0.00 O ATOM 602 CB ASP A 42 11.529 0.979 5.957 1.00 0.00 C ATOM 603 CG ASP A 42 12.066 0.723 7.367 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.229 0.684 8.294 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.301 0.571 7.485 1.00 0.00 O ATOM 0 H ASP A 42 10.384 0.197 3.800 1.00 0.00 H new ATOM 0 HA ASP A 42 9.648 0.177 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.058 0.330 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.763 2.006 5.676 1.00 0.00 H new ATOM 610 N ARG A 43 8.960 2.495 4.504 1.00 0.00 N ATOM 611 CA ARG A 43 8.303 3.773 4.286 1.00 0.00 C ATOM 612 C ARG A 43 6.919 3.777 4.939 1.00 0.00 C ATOM 613 O ARG A 43 6.286 4.825 5.053 1.00 0.00 O ATOM 614 CB ARG A 43 8.154 4.068 2.792 1.00 0.00 C ATOM 615 CG ARG A 43 9.443 4.662 2.219 1.00 0.00 C ATOM 616 CD ARG A 43 9.653 6.095 2.714 1.00 0.00 C ATOM 617 NE ARG A 43 10.442 6.087 3.966 1.00 0.00 N ATOM 618 CZ ARG A 43 11.755 5.827 4.025 1.00 0.00 C ATOM 619 NH1 ARG A 43 12.435 5.551 2.903 1.00 0.00 N ATOM 620 NH2 ARG A 43 12.389 5.842 5.205 1.00 0.00 N ATOM 0 H ARG A 43 9.087 1.932 3.663 1.00 0.00 H new ATOM 0 HA ARG A 43 8.924 4.546 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.904 3.150 2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.328 4.762 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.293 4.045 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.400 4.652 1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.169 6.680 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.689 6.575 2.885 1.00 0.00 H new ATOM 0 HE ARG A 43 9.956 6.292 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.953 5.539 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.435 5.353 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.872 6.051 6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.389 5.644 5.249 1.00 0.00 H new ATOM 634 N PHE A 44 6.491 2.592 5.352 1.00 0.00 N ATOM 635 CA PHE A 44 5.195 2.446 5.991 1.00 0.00 C ATOM 636 C PHE A 44 4.916 0.982 6.337 1.00 0.00 C ATOM 637 O PHE A 44 5.700 0.099 5.993 1.00 0.00 O ATOM 638 CB PHE A 44 4.145 2.929 4.988 1.00 0.00 C ATOM 639 CG PHE A 44 4.315 2.351 3.582 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.214 1.009 3.382 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.566 3.178 2.532 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.372 0.473 2.077 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.723 2.641 1.227 1.00 0.00 C ATOM 644 CZ PHE A 44 4.623 1.300 1.027 1.00 0.00 C ATOM 0 H PHE A 44 7.019 1.725 5.256 1.00 0.00 H new ATOM 0 HA PHE A 44 5.170 3.022 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.155 2.667 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.186 4.017 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.014 0.352 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.646 4.243 2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.293 -0.592 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.922 3.298 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.743 0.892 0.034 1.00 0.00 H new ATOM 654 N ILE A 45 3.798 0.770 7.014 1.00 0.00 N ATOM 655 CA ILE A 45 3.406 -0.572 7.411 1.00 0.00 C ATOM 656 C ILE A 45 2.536 -1.190 6.315 1.00 0.00 C ATOM 657 O ILE A 45 1.346 -0.892 6.220 1.00 0.00 O ATOM 658 CB ILE A 45 2.738 -0.550 8.787 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.718 -0.086 9.866 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.122 -1.911 9.120 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.987 0.649 10.991 1.00 0.00 C ATOM 0 H ILE A 45 3.150 1.505 7.298 1.00 0.00 H new ATOM 0 HA ILE A 45 4.284 -1.209 7.519 1.00 0.00 H new ATOM 0 HB ILE A 45 1.924 0.174 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.249 -0.946 10.274 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.467 0.571 9.424 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.654 -1.868 10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.371 -2.163 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.902 -2.672 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.707 0.968 11.745 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.477 1.522 10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.256 -0.019 11.447 1.00 0.00 H new ATOM 673 N LEU A 46 3.163 -2.039 5.514 1.00 0.00 N ATOM 674 CA LEU A 46 2.461 -2.701 4.428 1.00 0.00 C ATOM 675 C LEU A 46 1.593 -3.825 4.997 1.00 0.00 C ATOM 676 O LEU A 46 2.108 -4.865 5.405 1.00 0.00 O ATOM 677 CB LEU A 46 3.450 -3.170 3.358 1.00 0.00 C ATOM 678 CG LEU A 46 2.834 -3.791 2.103 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.875 -2.814 1.421 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.922 -4.287 1.147 1.00 0.00 C ATOM 0 H LEU A 46 4.150 -2.284 5.596 1.00 0.00 H new ATOM 0 HA LEU A 46 1.791 -2.003 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.060 -2.318 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.123 -3.900 3.808 1.00 0.00 H new ATOM 0 HG LEU A 46 2.248 -4.659 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.451 -3.281 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.072 -2.551 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.417 -1.913 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.458 -4.724 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.554 -3.450 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.530 -5.040 1.647 1.00 0.00 H new ATOM 692 N GLN A 47 0.292 -3.577 5.008 1.00 0.00 N ATOM 693 CA GLN A 47 -0.652 -4.555 5.521 1.00 0.00 C ATOM 694 C GLN A 47 -1.189 -5.423 4.381 1.00 0.00 C ATOM 695 O GLN A 47 -2.107 -5.019 3.669 1.00 0.00 O ATOM 696 CB GLN A 47 -1.795 -3.871 6.274 1.00 0.00 C ATOM 697 CG GLN A 47 -2.319 -4.763 7.402 1.00 0.00 C ATOM 698 CD GLN A 47 -3.657 -4.244 7.934 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.708 -4.824 7.717 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.559 -3.122 8.641 1.00 0.00 N ATOM 0 H GLN A 47 -0.131 -2.713 4.670 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.129 -5.200 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.448 -2.923 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.605 -3.640 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.439 -5.783 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.590 -4.798 8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.647 -2.688 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.396 -2.696 9.039 1.00 0.00 H new ATOM 709 N GLU A 48 -0.594 -6.598 4.244 1.00 0.00 N ATOM 710 CA GLU A 48 -1.001 -7.527 3.203 1.00 0.00 C ATOM 711 C GLU A 48 -2.274 -8.266 3.620 1.00 0.00 C ATOM 712 O GLU A 48 -2.233 -9.145 4.479 1.00 0.00 O ATOM 713 CB GLU A 48 0.123 -8.512 2.877 1.00 0.00 C ATOM 714 CG GLU A 48 0.902 -8.064 1.638 1.00 0.00 C ATOM 715 CD GLU A 48 2.398 -8.338 1.802 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.721 -9.400 2.378 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.185 -7.480 1.349 1.00 0.00 O ATOM 0 H GLU A 48 0.167 -6.929 4.837 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.214 -6.958 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.800 -8.591 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.295 -9.504 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.527 -8.588 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.740 -7.000 1.468 1.00 0.00 H new ATOM 724 N VAL A 49 -3.376 -7.882 2.991 1.00 0.00 N ATOM 725 CA VAL A 49 -4.659 -8.498 3.285 1.00 0.00 C ATOM 726 C VAL A 49 -4.969 -9.554 2.223 1.00 0.00 C ATOM 727 O VAL A 49 -4.926 -9.267 1.027 1.00 0.00 O ATOM 728 CB VAL A 49 -5.742 -7.423 3.394 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.126 -8.054 3.560 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.441 -6.454 4.540 1.00 0.00 C ATOM 0 H VAL A 49 -3.406 -7.152 2.279 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.627 -9.007 4.248 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.742 -6.853 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.878 -7.268 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.345 -8.684 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.143 -8.660 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.226 -5.700 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.399 -7.004 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.482 -5.967 4.362 1.00 0.00 H new ATOM 740 N ASP A 50 -5.274 -10.753 2.697 1.00 0.00 N ATOM 741 CA ASP A 50 -5.591 -11.853 1.802 1.00 0.00 C ATOM 742 C ASP A 50 -7.079 -11.805 1.450 1.00 0.00 C ATOM 743 O ASP A 50 -7.924 -12.200 2.252 1.00 0.00 O ATOM 744 CB ASP A 50 -5.306 -13.202 2.465 1.00 0.00 C ATOM 745 CG ASP A 50 -3.825 -13.503 2.705 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.259 -12.873 3.625 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.293 -14.358 1.964 1.00 0.00 O ATOM 0 H ASP A 50 -5.308 -10.987 3.689 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.972 -11.751 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.828 -13.238 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.726 -13.992 1.842 1.00 0.00 H new ATOM 752 N ILE A 51 -7.355 -11.318 0.249 1.00 0.00 N ATOM 753 CA ILE A 51 -8.726 -11.213 -0.220 1.00 0.00 C ATOM 754 C ILE A 51 -9.194 -12.580 -0.724 1.00 0.00 C ATOM 755 O ILE A 51 -10.329 -12.724 -1.176 1.00 0.00 O ATOM 756 CB ILE A 51 -8.853 -10.098 -1.260 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.001 -10.399 -2.494 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.516 -8.737 -0.648 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.614 -9.775 -3.749 1.00 0.00 C ATOM 0 H ILE A 51 -6.652 -10.992 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.388 -10.930 0.599 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.891 -10.055 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.992 -10.013 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.913 -11.477 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.614 -7.962 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.201 -8.528 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.493 -8.750 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.989 -10.004 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.613 -10.182 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.678 -8.694 -3.624 1.00 0.00 H new ATOM 771 N THR A 52 -8.296 -13.549 -0.628 1.00 0.00 N ATOM 772 CA THR A 52 -8.603 -14.900 -1.069 1.00 0.00 C ATOM 773 C THR A 52 -9.247 -15.698 0.067 1.00 0.00 C ATOM 774 O THR A 52 -9.250 -16.927 0.042 1.00 0.00 O ATOM 775 CB THR A 52 -7.312 -15.529 -1.597 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.300 -15.031 -0.727 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.919 -14.989 -2.974 1.00 0.00 C ATOM 0 H THR A 52 -7.356 -13.426 -0.252 1.00 0.00 H new ATOM 0 HA THR A 52 -9.334 -14.896 -1.877 1.00 0.00 H new ATOM 0 HB THR A 52 -7.432 -16.611 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.430 -15.391 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.997 -15.468 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.714 -15.203 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.767 -13.911 -2.912 1.00 0.00 H new ATOM 785 N LEU A 53 -9.778 -14.965 1.035 1.00 0.00 N ATOM 786 CA LEU A 53 -10.423 -15.589 2.177 1.00 0.00 C ATOM 787 C LEU A 53 -11.901 -15.193 2.201 1.00 0.00 C ATOM 788 O LEU A 53 -12.292 -14.200 1.589 1.00 0.00 O ATOM 789 CB LEU A 53 -9.675 -15.249 3.467 1.00 0.00 C ATOM 790 CG LEU A 53 -8.292 -15.883 3.628 1.00 0.00 C ATOM 791 CD1 LEU A 53 -8.402 -17.399 3.807 1.00 0.00 C ATOM 792 CD2 LEU A 53 -7.378 -15.509 2.460 1.00 0.00 C ATOM 0 H LEU A 53 -9.775 -13.945 1.052 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.384 -16.675 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.565 -14.166 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.293 -15.553 4.312 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.836 -15.483 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.405 -17.825 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.993 -17.618 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.886 -17.834 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.401 -15.973 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.817 -15.862 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.263 -14.426 2.420 1.00 0.00 H new ATOM 804 N PRO A 54 -12.704 -16.012 2.933 1.00 0.00 N ATOM 805 CA PRO A 54 -14.130 -15.758 3.044 1.00 0.00 C ATOM 806 C PRO A 54 -14.406 -14.586 3.988 1.00 0.00 C ATOM 807 O PRO A 54 -15.412 -13.893 3.846 1.00 0.00 O ATOM 808 CB PRO A 54 -14.726 -17.067 3.533 1.00 0.00 C ATOM 809 CG PRO A 54 -13.569 -17.859 4.120 1.00 0.00 C ATOM 810 CD PRO A 54 -12.276 -17.197 3.671 1.00 0.00 C ATOM 0 HA PRO A 54 -14.579 -15.461 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.497 -16.889 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.197 -17.612 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.631 -17.876 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.605 -18.895 3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.652 -16.929 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.687 -17.864 3.042 1.00 0.00 H new ATOM 818 N GLU A 55 -13.494 -14.401 4.932 1.00 0.00 N ATOM 819 CA GLU A 55 -13.627 -13.325 5.900 1.00 0.00 C ATOM 820 C GLU A 55 -13.439 -11.969 5.215 1.00 0.00 C ATOM 821 O GLU A 55 -14.135 -11.007 5.535 1.00 0.00 O ATOM 822 CB GLU A 55 -12.636 -13.499 7.052 1.00 0.00 C ATOM 823 CG GLU A 55 -11.204 -13.629 6.529 1.00 0.00 C ATOM 824 CD GLU A 55 -10.189 -13.460 7.662 1.00 0.00 C ATOM 825 OE1 GLU A 55 -10.004 -14.445 8.409 1.00 0.00 O ATOM 826 OE2 GLU A 55 -9.620 -12.351 7.754 1.00 0.00 O ATOM 0 H GLU A 55 -12.661 -14.978 5.047 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.632 -13.362 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.704 -12.646 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.897 -14.385 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.072 -14.604 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.024 -12.878 5.760 1.00 0.00 H new ATOM 833 N ASN A 56 -12.495 -11.937 4.286 1.00 0.00 N ATOM 834 CA ASN A 56 -12.208 -10.716 3.553 1.00 0.00 C ATOM 835 C ASN A 56 -12.894 -10.772 2.187 1.00 0.00 C ATOM 836 O ASN A 56 -12.689 -9.895 1.349 1.00 0.00 O ATOM 837 CB ASN A 56 -10.704 -10.554 3.321 1.00 0.00 C ATOM 838 CG ASN A 56 -9.915 -10.876 4.592 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.108 -10.283 5.640 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.018 -11.846 4.441 1.00 0.00 N ATOM 0 H ASN A 56 -11.919 -12.737 4.024 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.575 -9.875 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.384 -11.213 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.489 -9.533 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.441 -12.134 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.907 -12.302 3.535 1.00 0.00 H new ATOM 847 N SER A 57 -13.693 -11.812 2.004 1.00 0.00 N ATOM 848 CA SER A 57 -14.411 -11.994 0.753 1.00 0.00 C ATOM 849 C SER A 57 -14.906 -10.643 0.233 1.00 0.00 C ATOM 850 O SER A 57 -14.995 -10.435 -0.976 1.00 0.00 O ATOM 851 CB SER A 57 -15.585 -12.959 0.927 1.00 0.00 C ATOM 852 OG SER A 57 -15.949 -13.584 -0.300 1.00 0.00 O ATOM 0 H SER A 57 -13.860 -12.538 2.701 1.00 0.00 H new ATOM 0 HA SER A 57 -13.725 -12.427 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.321 -13.723 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.443 -12.418 1.327 1.00 0.00 H new ATOM 0 HG SER A 57 -16.701 -14.193 -0.146 1.00 0.00 H new ATOM 858 N THR A 58 -15.216 -9.761 1.172 1.00 0.00 N ATOM 859 CA THR A 58 -15.700 -8.436 0.823 1.00 0.00 C ATOM 860 C THR A 58 -14.632 -7.665 0.046 1.00 0.00 C ATOM 861 O THR A 58 -14.873 -7.223 -1.076 1.00 0.00 O ATOM 862 CB THR A 58 -16.137 -7.738 2.113 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.428 -8.278 2.381 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.393 -6.243 1.911 1.00 0.00 C ATOM 0 H THR A 58 -15.141 -9.938 2.174 1.00 0.00 H new ATOM 0 HA THR A 58 -16.562 -8.492 0.158 1.00 0.00 H new ATOM 0 HB THR A 58 -15.372 -7.876 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.785 -7.881 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.700 -5.796 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.480 -5.761 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.182 -6.106 1.171 1.00 0.00 H new ATOM 872 N TRP A 59 -13.473 -7.527 0.674 1.00 0.00 N ATOM 873 CA TRP A 59 -12.367 -6.817 0.055 1.00 0.00 C ATOM 874 C TRP A 59 -12.237 -7.308 -1.388 1.00 0.00 C ATOM 875 O TRP A 59 -11.940 -6.526 -2.289 1.00 0.00 O ATOM 876 CB TRP A 59 -11.080 -6.995 0.864 1.00 0.00 C ATOM 877 CG TRP A 59 -10.999 -6.105 2.106 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.103 -6.470 3.391 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.789 -4.677 2.129 1.00 0.00 C ATOM 880 NE1 TRP A 59 -10.977 -5.387 4.237 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.780 -4.262 3.445 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.613 -3.767 1.072 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.599 -2.927 3.826 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.434 -2.436 1.470 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.422 -2.002 2.790 1.00 0.00 C ATOM 0 H TRP A 59 -13.276 -7.895 1.605 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.558 -5.744 0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -10.997 -8.038 1.170 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.226 -6.783 0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.265 -7.485 3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.020 -5.408 5.256 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.616 -4.070 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.596 -2.627 4.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.296 -1.695 0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.277 -0.956 3.016 1.00 0.00 H new ATOM 896 N TYR A 60 -12.467 -8.602 -1.562 1.00 0.00 N ATOM 897 CA TYR A 60 -12.380 -9.206 -2.880 1.00 0.00 C ATOM 898 C TYR A 60 -13.596 -8.838 -3.734 1.00 0.00 C ATOM 899 O TYR A 60 -13.448 -8.335 -4.846 1.00 0.00 O ATOM 900 CB TYR A 60 -12.372 -10.719 -2.651 1.00 0.00 C ATOM 901 CG TYR A 60 -11.963 -11.533 -3.880 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.900 -11.843 -4.845 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.657 -11.956 -4.025 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.515 -12.609 -6.002 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.272 -12.722 -5.182 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.220 -13.011 -6.113 1.00 0.00 C ATOM 907 OH TYR A 60 -10.857 -13.734 -7.206 1.00 0.00 O ATOM 0 H TYR A 60 -12.713 -9.248 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.490 -8.857 -3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.690 -10.948 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.367 -11.033 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.922 -11.511 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.924 -11.712 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.238 -12.859 -6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.254 -13.059 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.419 -13.480 -7.968 1.00 0.00 H new ATOM 917 N GLU A 61 -14.769 -9.104 -3.180 1.00 0.00 N ATOM 918 CA GLU A 61 -16.010 -8.807 -3.876 1.00 0.00 C ATOM 919 C GLU A 61 -16.006 -7.360 -4.374 1.00 0.00 C ATOM 920 O GLU A 61 -16.731 -7.018 -5.306 1.00 0.00 O ATOM 921 CB GLU A 61 -17.220 -9.075 -2.979 1.00 0.00 C ATOM 922 CG GLU A 61 -17.454 -10.577 -2.809 1.00 0.00 C ATOM 923 CD GLU A 61 -18.921 -10.935 -3.061 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.344 -10.804 -4.230 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.585 -11.331 -2.079 1.00 0.00 O ATOM 0 H GLU A 61 -14.887 -9.522 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.086 -9.468 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.063 -8.615 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.107 -8.612 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.817 -11.129 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.169 -10.881 -1.802 1.00 0.00 H new ATOM 932 N ARG A 62 -15.180 -6.548 -3.729 1.00 0.00 N ATOM 933 CA ARG A 62 -15.072 -5.146 -4.094 1.00 0.00 C ATOM 934 C ARG A 62 -13.841 -4.920 -4.974 1.00 0.00 C ATOM 935 O ARG A 62 -13.825 -4.012 -5.804 1.00 0.00 O ATOM 936 CB ARG A 62 -14.973 -4.259 -2.852 1.00 0.00 C ATOM 937 CG ARG A 62 -13.655 -4.497 -2.112 1.00 0.00 C ATOM 938 CD ARG A 62 -13.362 -3.359 -1.133 1.00 0.00 C ATOM 939 NE ARG A 62 -13.566 -2.053 -1.799 1.00 0.00 N ATOM 940 CZ ARG A 62 -13.807 -0.907 -1.148 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.874 -0.898 0.190 1.00 0.00 N ATOM 942 NH2 ARG A 62 -13.979 0.231 -1.835 1.00 0.00 N ATOM 0 H ARG A 62 -14.580 -6.835 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.972 -4.877 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.047 -3.211 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.811 -4.465 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.703 -5.443 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.840 -4.581 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.015 -3.439 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.337 -3.435 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.520 -2.024 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.742 -1.764 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.057 -0.026 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.926 0.225 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.162 1.103 -1.339 1.00 0.00 H new ATOM 956 N TYR A 63 -12.840 -5.762 -4.763 1.00 0.00 N ATOM 957 CA TYR A 63 -11.607 -5.665 -5.526 1.00 0.00 C ATOM 958 C TYR A 63 -11.131 -7.048 -5.975 1.00 0.00 C ATOM 959 O TYR A 63 -10.111 -7.543 -5.498 1.00 0.00 O ATOM 960 CB TYR A 63 -10.569 -5.065 -4.576 1.00 0.00 C ATOM 961 CG TYR A 63 -10.870 -3.626 -4.154 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.314 -2.711 -5.087 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.697 -3.241 -2.840 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.597 -1.356 -4.690 1.00 0.00 C ATOM 965 CE2 TYR A 63 -10.980 -1.886 -2.442 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.416 -1.011 -3.387 1.00 0.00 C ATOM 967 OH TYR A 63 -11.684 0.269 -3.012 1.00 0.00 O ATOM 0 H TYR A 63 -12.858 -6.515 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.755 -5.059 -6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.505 -5.688 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.591 -5.095 -5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.449 -3.011 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.349 -3.956 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.945 -0.630 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.849 -1.572 -1.417 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.987 0.781 -3.791 1.00 0.00 H new ATOM 977 N LYS A 64 -11.892 -7.632 -6.889 1.00 0.00 N ATOM 978 CA LYS A 64 -11.560 -8.948 -7.409 1.00 0.00 C ATOM 979 C LYS A 64 -10.944 -8.801 -8.801 1.00 0.00 C ATOM 980 O LYS A 64 -10.344 -9.741 -9.321 1.00 0.00 O ATOM 981 CB LYS A 64 -12.786 -9.863 -7.371 1.00 0.00 C ATOM 982 CG LYS A 64 -13.855 -9.387 -8.357 1.00 0.00 C ATOM 983 CD LYS A 64 -15.212 -10.022 -8.043 1.00 0.00 C ATOM 984 CE LYS A 64 -16.281 -8.950 -7.823 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.194 -9.345 -6.727 1.00 0.00 N ATOM 0 H LYS A 64 -12.737 -7.218 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.812 -9.430 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.490 -10.884 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.199 -9.882 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.938 -8.301 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.557 -9.642 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.510 -10.675 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.129 -10.646 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.806 -7.998 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.849 -8.801 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.138 -9.542 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.827 -10.198 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.260 -8.572 -6.034 1.00 0.00 H new ATOM 999 N PHE A 65 -11.114 -7.615 -9.367 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.582 -7.333 -10.689 1.00 0.00 C ATOM 1001 C PHE A 65 -9.960 -5.937 -10.744 1.00 0.00 C ATOM 1002 O PHE A 65 -9.634 -5.440 -11.821 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.758 -7.393 -11.666 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.022 -6.694 -11.162 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.050 -5.339 -11.047 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.118 -7.428 -10.830 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.223 -4.691 -10.579 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.292 -6.779 -10.362 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.319 -5.424 -10.246 1.00 0.00 C ATOM 0 H PHE A 65 -11.613 -6.838 -8.934 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.807 -8.057 -10.940 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.456 -6.939 -12.610 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.991 -8.437 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.180 -4.756 -11.312 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.096 -8.504 -10.922 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.245 -3.615 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.163 -7.361 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.211 -4.930 -9.889 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.814 -5.343 -9.569 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.236 -4.013 -9.469 1.00 0.00 C ATOM 1021 C ASP A 66 -8.018 -4.059 -8.544 1.00 0.00 C ATOM 1022 O ASP A 66 -7.713 -3.080 -7.865 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.240 -3.019 -8.881 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.705 -3.306 -9.214 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.222 -4.313 -8.683 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.276 -2.512 -9.993 1.00 0.00 O ATOM 0 H ASP A 66 -10.086 -5.758 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.955 -3.691 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.125 -3.008 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.991 -2.020 -9.238 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.355 -5.206 -8.548 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.177 -5.392 -7.718 1.00 0.00 C ATOM 1033 C ILE A 67 -4.928 -5.370 -8.601 1.00 0.00 C ATOM 1034 O ILE A 67 -5.022 -5.504 -9.820 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.311 -6.660 -6.874 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.328 -7.624 -7.490 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.653 -6.319 -5.422 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.463 -8.892 -6.645 1.00 0.00 C ATOM 0 H ILE A 67 -7.611 -6.016 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.079 -4.572 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.347 -7.169 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.297 -7.132 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.018 -7.888 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.743 -7.239 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.863 -5.699 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.597 -5.776 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.192 -9.560 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.497 -9.394 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.796 -8.627 -5.642 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.755 -5.196 -7.934 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.732 -5.045 -6.489 1.00 0.00 C ATOM 1052 C PRO A 68 -4.214 -3.654 -6.075 1.00 0.00 C ATOM 1053 O PRO A 68 -4.076 -2.694 -6.833 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.291 -5.318 -6.088 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.468 -5.154 -7.356 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.426 -5.139 -8.535 1.00 0.00 C ATOM 0 HA PRO A 68 -4.410 -5.733 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.962 -4.623 -5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.183 -6.323 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.892 -4.229 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.753 -5.971 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.301 -4.238 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.254 -5.988 -9.196 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.769 -3.587 -4.874 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.272 -2.329 -4.350 1.00 0.00 C ATOM 1066 C VAL A 69 -4.335 -1.829 -3.248 1.00 0.00 C ATOM 1067 O VAL A 69 -3.680 -2.625 -2.577 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.716 -2.500 -3.875 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.203 -1.250 -3.138 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.641 -2.842 -5.044 1.00 0.00 C ATOM 0 H VAL A 69 -4.881 -4.385 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.289 -1.569 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.741 -3.334 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.232 -1.398 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.569 -1.069 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.155 -0.391 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.661 -2.958 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.608 -2.039 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.313 -3.773 -5.507 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.302 -0.513 -3.096 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.457 0.102 -2.087 1.00 0.00 C ATOM 1082 C PHE A 70 -4.194 1.236 -1.371 1.00 0.00 C ATOM 1083 O PHE A 70 -4.509 2.257 -1.979 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.241 0.679 -2.814 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.349 -0.376 -3.470 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.605 -0.789 -4.740 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.300 -0.903 -2.783 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.777 -1.769 -5.349 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.528 -1.883 -3.392 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.272 -2.295 -4.662 1.00 0.00 C ATOM 0 H PHE A 70 -4.847 0.144 -3.655 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.171 -0.638 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.585 1.376 -3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.645 1.253 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.438 -0.372 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.097 -0.576 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.980 -2.097 -6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.361 -2.301 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.902 -3.040 -5.125 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.447 1.017 -0.089 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.141 2.008 0.716 1.00 0.00 C ATOM 1102 C HIS A 71 -4.159 2.649 1.699 1.00 0.00 C ATOM 1103 O HIS A 71 -3.609 1.971 2.564 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.356 1.389 1.411 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.443 0.942 0.463 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.725 0.635 0.885 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.427 0.754 -0.887 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.439 0.279 -0.173 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.632 0.353 -1.270 1.00 0.00 N ATOM 0 H HIS A 71 -4.184 0.168 0.412 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.527 2.799 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.028 0.533 2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.772 2.116 2.108 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.063 0.676 1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.577 0.906 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.477 -0.018 -0.168 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.971 3.950 1.532 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.065 4.691 2.394 1.00 0.00 C ATOM 1119 C LEU A 72 -3.875 5.434 3.459 1.00 0.00 C ATOM 1120 O LEU A 72 -4.650 6.333 3.139 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.161 5.603 1.562 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.662 5.506 1.852 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.094 6.685 1.236 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.400 5.380 3.354 1.00 0.00 C ATOM 0 H LEU A 72 -4.430 4.510 0.813 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.396 4.010 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.322 5.378 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.475 6.635 1.719 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.282 4.599 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.157 6.591 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.053 6.687 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.283 7.618 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.673 5.313 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.799 6.255 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.888 4.482 3.734 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.666 5.029 4.703 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.367 5.644 5.817 1.00 0.00 C ATOM 1138 C ASN A 73 -5.848 5.265 5.755 1.00 0.00 C ATOM 1139 O ASN A 73 -6.707 6.026 6.197 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.267 7.170 5.756 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.554 7.723 6.992 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -4.097 7.773 8.083 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -2.311 8.134 6.760 1.00 0.00 N ATOM 0 H ASN A 73 -3.021 4.283 4.964 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.909 5.289 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.727 7.467 4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.266 7.601 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.751 8.520 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.917 8.064 5.822 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.101 4.087 5.203 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.464 3.598 5.078 1.00 0.00 C ATOM 1152 C GLY A 74 -8.218 4.352 3.981 1.00 0.00 C ATOM 1153 O GLY A 74 -9.422 4.577 4.094 1.00 0.00 O ATOM 0 H GLY A 74 -5.386 3.458 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.452 2.532 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.985 3.715 6.028 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.480 4.721 2.945 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.064 5.445 1.829 1.00 0.00 C ATOM 1159 C GLN A 75 -7.401 5.023 0.517 1.00 0.00 C ATOM 1160 O GLN A 75 -6.206 5.240 0.323 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.954 6.956 2.038 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.206 7.673 1.529 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.031 8.117 0.075 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.465 9.157 -0.220 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -9.547 7.273 -0.814 1.00 0.00 N ATOM 0 H GLN A 75 -6.482 4.532 2.855 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.124 5.195 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.813 7.171 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.076 7.336 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.067 7.010 1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.413 8.541 2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.008 6.419 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.482 7.479 -1.811 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.206 4.428 -0.352 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.712 3.973 -1.640 1.00 0.00 C ATOM 1176 C PHE A 76 -6.688 4.956 -2.213 1.00 0.00 C ATOM 1177 O PHE A 76 -7.050 6.043 -2.662 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.916 3.903 -2.581 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.588 4.241 -4.037 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.689 3.487 -4.724 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -9.196 5.295 -4.644 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.384 3.800 -6.076 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.892 5.608 -5.995 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.992 4.854 -6.683 1.00 0.00 C ATOM 0 H PHE A 76 -9.197 4.251 -0.189 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.224 3.004 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.340 2.900 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.684 4.589 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.206 2.650 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.910 5.894 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.670 3.201 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.375 6.445 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.761 5.093 -7.711 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.431 4.540 -2.177 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.353 5.370 -2.687 1.00 0.00 C ATOM 1196 C LEU A 77 -4.187 5.119 -4.187 1.00 0.00 C ATOM 1197 O LEU A 77 -4.034 6.060 -4.964 1.00 0.00 O ATOM 1198 CB LEU A 77 -3.073 5.141 -1.880 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.821 4.802 -2.691 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.239 6.054 -3.350 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.788 4.076 -1.826 1.00 0.00 C ATOM 0 H LEU A 77 -5.135 3.639 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.595 6.426 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.871 6.038 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.253 4.332 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.107 4.120 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.350 5.785 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.980 6.491 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.971 6.779 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.092 3.846 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.501 4.714 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.219 3.150 -1.445 1.00 0.00 H new ATOM 1213 N MET A 78 -4.223 3.845 -4.549 1.00 0.00 N ATOM 1214 CA MET A 78 -4.079 3.458 -5.942 1.00 0.00 C ATOM 1215 C MET A 78 -4.291 1.953 -6.118 1.00 0.00 C ATOM 1216 O MET A 78 -3.996 1.171 -5.216 1.00 0.00 O ATOM 1217 CB MET A 78 -2.681 3.838 -6.435 1.00 0.00 C ATOM 1218 CG MET A 78 -1.627 2.870 -5.894 1.00 0.00 C ATOM 1219 SD MET A 78 0.006 3.553 -6.129 1.00 0.00 S ATOM 1220 CE MET A 78 0.904 2.643 -4.883 1.00 0.00 C ATOM 0 H MET A 78 -4.350 3.067 -3.901 1.00 0.00 H new ATOM 0 HA MET A 78 -4.835 3.983 -6.526 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.661 3.831 -7.525 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.444 4.854 -6.119 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.803 2.683 -4.835 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.706 1.910 -6.405 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.968 2.653 -5.121 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.746 3.107 -3.909 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.547 1.613 -4.857 1.00 0.00 H new ATOM 1230 N MET A 79 -4.801 1.593 -7.287 1.00 0.00 N ATOM 1231 CA MET A 79 -5.056 0.196 -7.593 1.00 0.00 C ATOM 1232 C MET A 79 -4.767 -0.105 -9.065 1.00 0.00 C ATOM 1233 O MET A 79 -4.734 0.804 -9.893 1.00 0.00 O ATOM 1234 CB MET A 79 -6.517 -0.137 -7.281 1.00 0.00 C ATOM 1235 CG MET A 79 -7.466 0.762 -8.076 1.00 0.00 C ATOM 1236 SD MET A 79 -9.157 0.274 -7.784 1.00 0.00 S ATOM 1237 CE MET A 79 -9.874 1.860 -7.387 1.00 0.00 C ATOM 0 H MET A 79 -5.044 2.245 -8.033 1.00 0.00 H new ATOM 0 HA MET A 79 -4.395 -0.417 -6.980 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.715 -1.182 -7.520 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.702 -0.014 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.324 1.803 -7.785 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.238 0.695 -9.140 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.947 1.831 -7.574 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.695 2.088 -6.336 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.418 2.631 -8.008 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.565 -1.384 -9.346 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.280 -1.815 -10.704 1.00 0.00 C ATOM 1249 C HIS A 80 -2.773 -1.745 -10.959 1.00 0.00 C ATOM 1250 O HIS A 80 -2.325 -1.889 -12.095 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.091 -1.002 -11.714 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.516 -0.739 -11.288 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.277 0.290 -11.814 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.309 -1.381 -10.384 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.473 0.260 -11.244 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.490 -0.776 -10.357 1.00 0.00 N ATOM 0 H HIS A 80 -4.593 -2.135 -8.657 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.587 -2.853 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.591 -0.048 -11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.099 -1.530 -12.667 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.970 0.958 -12.521 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.024 -2.237 -9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.290 0.937 -11.446 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.033 -1.523 -9.883 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.586 -1.431 -9.975 1.00 0.00 C ATOM 1266 C ARG A 81 -0.022 -0.687 -8.763 1.00 0.00 C ATOM 1267 O ARG A 81 -0.736 -0.446 -7.791 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.161 -0.706 -11.253 1.00 0.00 C ATOM 1269 CG ARG A 81 0.428 -1.686 -12.270 1.00 0.00 C ATOM 1270 CD ARG A 81 0.569 -1.030 -13.646 1.00 0.00 C ATOM 1271 NE ARG A 81 1.930 -1.260 -14.179 1.00 0.00 N ATOM 1272 CZ ARG A 81 2.448 -0.603 -15.226 1.00 0.00 C ATOM 1273 NH1 ARG A 81 1.722 0.329 -15.858 1.00 0.00 N ATOM 1274 NH2 ARG A 81 3.692 -0.877 -15.640 1.00 0.00 N ATOM 0 H ARG A 81 -2.409 -1.404 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.190 -2.446 -9.998 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.020 -0.197 -11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.576 0.061 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.403 -2.030 -11.926 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.212 -2.565 -12.346 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.173 -1.440 -14.331 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.375 0.040 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 81 2.510 -1.963 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.775 0.539 -15.542 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.116 0.829 -16.655 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.245 -1.586 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.086 -0.377 -16.437 1.00 0.00 H new ATOM 1288 N VAL A 82 1.254 -0.345 -8.860 1.00 0.00 N ATOM 1289 CA VAL A 82 1.922 0.367 -7.783 1.00 0.00 C ATOM 1290 C VAL A 82 2.593 1.621 -8.346 1.00 0.00 C ATOM 1291 O VAL A 82 3.801 1.632 -8.580 1.00 0.00 O ATOM 1292 CB VAL A 82 2.902 -0.566 -7.068 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.444 0.082 -5.793 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.250 -1.916 -6.763 1.00 0.00 C ATOM 0 H VAL A 82 1.843 -0.547 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 82 1.200 0.693 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 82 3.744 -0.744 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.138 -0.602 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.963 1.006 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.617 0.304 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.968 -2.560 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.381 -1.764 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.936 -2.387 -7.694 1.00 0.00 H new ATOM 1304 N ASN A 83 1.781 2.648 -8.548 1.00 0.00 N ATOM 1305 CA ASN A 83 2.281 3.905 -9.079 1.00 0.00 C ATOM 1306 C ASN A 83 3.119 4.608 -8.010 1.00 0.00 C ATOM 1307 O ASN A 83 2.662 5.567 -7.390 1.00 0.00 O ATOM 1308 CB ASN A 83 1.130 4.836 -9.466 1.00 0.00 C ATOM 1309 CG ASN A 83 0.872 4.792 -10.974 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.422 3.801 -11.524 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.182 5.919 -11.609 1.00 0.00 N ATOM 0 H ASN A 83 0.780 2.636 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 83 2.879 3.684 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.226 4.545 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.365 5.856 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.046 5.990 -12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.555 6.712 -11.087 1.00 0.00 H new ATOM 1318 N THR A 84 4.330 4.104 -7.827 1.00 0.00 N ATOM 1319 CA THR A 84 5.236 4.672 -6.843 1.00 0.00 C ATOM 1320 C THR A 84 5.110 6.196 -6.818 1.00 0.00 C ATOM 1321 O THR A 84 4.913 6.789 -5.759 1.00 0.00 O ATOM 1322 CB THR A 84 6.650 4.185 -7.166 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.697 4.174 -8.590 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.869 2.721 -6.775 1.00 0.00 C ATOM 0 H THR A 84 4.705 3.308 -8.343 1.00 0.00 H new ATOM 0 HA THR A 84 4.984 4.340 -5.836 1.00 0.00 H new ATOM 0 HB THR A 84 7.376 4.812 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.581 3.872 -8.886 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.888 2.426 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.710 2.603 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.165 2.090 -7.318 1.00 0.00 H new ATOM 1332 N SER A 85 5.228 6.787 -7.999 1.00 0.00 N ATOM 1333 CA SER A 85 5.129 8.231 -8.126 1.00 0.00 C ATOM 1334 C SER A 85 4.016 8.761 -7.220 1.00 0.00 C ATOM 1335 O SER A 85 4.191 9.774 -6.545 1.00 0.00 O ATOM 1336 CB SER A 85 4.872 8.639 -9.578 1.00 0.00 C ATOM 1337 OG SER A 85 5.628 9.788 -9.951 1.00 0.00 O ATOM 0 H SER A 85 5.391 6.292 -8.876 1.00 0.00 H new ATOM 0 HA SER A 85 6.079 8.668 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.124 7.809 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.810 8.844 -9.715 1.00 0.00 H new ATOM 0 HG SER A 85 5.438 10.016 -10.885 1.00 0.00 H new ATOM 1343 N LYS A 86 2.897 8.052 -7.234 1.00 0.00 N ATOM 1344 CA LYS A 86 1.756 8.439 -6.422 1.00 0.00 C ATOM 1345 C LYS A 86 2.086 8.211 -4.945 1.00 0.00 C ATOM 1346 O LYS A 86 2.103 9.155 -4.157 1.00 0.00 O ATOM 1347 CB LYS A 86 0.494 7.711 -6.890 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.711 8.653 -6.899 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.342 8.749 -5.508 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.863 8.600 -5.585 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.497 9.904 -5.884 1.00 0.00 N ATOM 0 H LYS A 86 2.756 7.212 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 86 1.546 9.502 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.652 7.308 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.293 6.865 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.400 9.644 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.452 8.295 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.929 7.973 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.089 9.708 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.125 7.876 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.245 8.211 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.529 9.785 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.262 10.585 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.146 10.260 -6.796 1.00 0.00 H new ATOM 1365 N LEU A 87 2.339 6.953 -4.616 1.00 0.00 N ATOM 1366 CA LEU A 87 2.668 6.590 -3.248 1.00 0.00 C ATOM 1367 C LEU A 87 3.585 7.657 -2.647 1.00 0.00 C ATOM 1368 O LEU A 87 3.192 8.373 -1.728 1.00 0.00 O ATOM 1369 CB LEU A 87 3.251 5.176 -3.194 1.00 0.00 C ATOM 1370 CG LEU A 87 4.084 4.841 -1.955 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.221 4.858 -0.693 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.817 3.509 -2.131 1.00 0.00 C ATOM 0 H LEU A 87 2.323 6.173 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 87 1.767 6.562 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.429 4.463 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.873 5.027 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 87 4.844 5.613 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.838 4.617 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.785 5.849 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.424 4.121 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.402 3.294 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.090 2.712 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.482 3.571 -2.993 1.00 0.00 H new ATOM 1384 N GLU A 88 4.791 7.729 -3.192 1.00 0.00 N ATOM 1385 CA GLU A 88 5.768 8.697 -2.722 1.00 0.00 C ATOM 1386 C GLU A 88 5.102 10.056 -2.494 1.00 0.00 C ATOM 1387 O GLU A 88 5.169 10.608 -1.397 1.00 0.00 O ATOM 1388 CB GLU A 88 6.937 8.816 -3.701 1.00 0.00 C ATOM 1389 CG GLU A 88 7.406 7.436 -4.166 1.00 0.00 C ATOM 1390 CD GLU A 88 8.933 7.376 -4.251 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.570 7.635 -3.207 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.428 7.072 -5.357 1.00 0.00 O ATOM 0 H GLU A 88 5.114 7.133 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 88 6.169 8.347 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.635 9.411 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.763 9.343 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.046 6.674 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.975 7.211 -5.141 1.00 0.00 H new ATOM 1399 N LYS A 89 4.475 10.555 -3.549 1.00 0.00 N ATOM 1400 CA LYS A 89 3.797 11.839 -3.478 1.00 0.00 C ATOM 1401 C LYS A 89 2.954 11.896 -2.203 1.00 0.00 C ATOM 1402 O LYS A 89 2.943 12.910 -1.506 1.00 0.00 O ATOM 1403 CB LYS A 89 2.997 12.094 -4.757 1.00 0.00 C ATOM 1404 CG LYS A 89 2.806 13.593 -4.995 1.00 0.00 C ATOM 1405 CD LYS A 89 1.896 14.206 -3.929 1.00 0.00 C ATOM 1406 CE LYS A 89 1.113 15.393 -4.493 1.00 0.00 C ATOM 1407 NZ LYS A 89 1.215 16.559 -3.588 1.00 0.00 N ATOM 0 H LYS A 89 4.422 10.094 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 89 4.523 12.650 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.514 11.650 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.025 11.607 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.774 14.093 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.376 13.756 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.202 13.451 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.495 14.532 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.499 15.655 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.067 15.117 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.678 17.356 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.826 16.310 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.213 16.832 -3.485 1.00 0.00 H new ATOM 1421 N GLN A 90 2.267 10.794 -1.936 1.00 0.00 N ATOM 1422 CA GLN A 90 1.423 10.706 -0.757 1.00 0.00 C ATOM 1423 C GLN A 90 2.281 10.664 0.509 1.00 0.00 C ATOM 1424 O GLN A 90 2.115 11.492 1.404 1.00 0.00 O ATOM 1425 CB GLN A 90 0.499 9.489 -0.834 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.504 9.633 -1.980 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.355 10.894 -1.808 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.379 10.897 -1.145 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.875 11.961 -2.440 1.00 0.00 N ATOM 0 H GLN A 90 2.278 9.955 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 90 0.795 11.596 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.092 8.586 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.035 9.373 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.028 9.676 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.150 8.756 -2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.012 11.889 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.370 12.851 -2.386 1.00 0.00 H new ATOM 1438 N LEU A 91 3.180 9.691 0.544 1.00 0.00 N ATOM 1439 CA LEU A 91 4.065 9.531 1.685 1.00 0.00 C ATOM 1440 C LEU A 91 4.499 10.909 2.187 1.00 0.00 C ATOM 1441 O LEU A 91 4.237 11.267 3.334 1.00 0.00 O ATOM 1442 CB LEU A 91 5.234 8.609 1.331 1.00 0.00 C ATOM 1443 CG LEU A 91 4.953 7.107 1.415 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.995 6.311 0.627 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.861 6.647 2.871 1.00 0.00 C ATOM 0 H LEU A 91 3.314 9.006 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 91 3.541 9.043 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.560 8.841 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.067 8.840 1.995 1.00 0.00 H new ATOM 0 HG LEU A 91 3.984 6.914 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.773 5.247 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.969 6.614 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.987 6.505 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.661 5.576 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.803 6.855 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.054 7.182 3.371 1.00 0.00 H new