USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 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 89 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.2) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 163:sc= 0.138 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 30:sc= 0.137 USER MOD Set 3.1: A 23 THR OG1 : rot -160:sc= -0.615 USER MOD Set 3.2: A 30 CYS SG : rot 180:sc= -1.04! USER MOD Set 3.3: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 38 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.17) USER MOD Single : A 40 TYR OH : rot 0:sc= -2.71 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -0.0242 (180deg=-0.969) USER MOD Single : A 47 GLN : amide:sc= -0.4 K(o=-0.4,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 56 ASN : amide:sc= 0.667 K(o=0.67,f=-2.2) 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+ -114:sc= -0.428 (180deg=-4.22!) USER MOD Single : A 71 HIS : no HE2:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 179:sc= -3.18! (180deg=-3.21) USER MOD Single : A 79 MET CE :methyl 156:sc=-0.00111 (180deg=-1.42) USER MOD Single : A 80 HIS : no HE2:sc= -14.4! C(o=-14!,f=-19!) USER MOD Single : A 83 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00861 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 ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.704 7.888 13.883 1.00 0.00 N ATOM 170 CA ALA A 15 4.898 6.740 13.504 1.00 0.00 C ATOM 171 C ALA A 15 4.704 6.737 11.986 1.00 0.00 C ATOM 172 O ALA A 15 4.539 7.792 11.376 1.00 0.00 O ATOM 173 CB ALA A 15 3.569 6.777 14.261 1.00 0.00 C ATOM 0 HA ALA A 15 5.402 5.812 13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.964 5.916 13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.760 6.748 15.334 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.034 7.694 14.013 1.00 0.00 H new ATOM 179 N LEU A 16 4.732 5.539 11.421 1.00 0.00 N ATOM 180 CA LEU A 16 4.561 5.385 9.986 1.00 0.00 C ATOM 181 C LEU A 16 3.096 5.070 9.681 1.00 0.00 C ATOM 182 O LEU A 16 2.370 4.581 10.545 1.00 0.00 O ATOM 183 CB LEU A 16 5.541 4.345 9.439 1.00 0.00 C ATOM 184 CG LEU A 16 7.019 4.585 9.752 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.876 3.403 9.293 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.499 5.908 9.151 1.00 0.00 C ATOM 0 H LEU A 16 4.870 4.666 11.930 1.00 0.00 H new ATOM 0 HA LEU A 16 4.800 6.316 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.261 3.368 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.423 4.298 8.356 1.00 0.00 H new ATOM 0 HG LEU A 16 7.131 4.663 10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.922 3.599 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.553 2.498 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.764 3.269 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.553 6.054 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.371 5.884 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.916 6.730 9.567 1.00 0.00 H new ATOM 198 N PRO A 17 2.693 5.371 8.417 1.00 0.00 N ATOM 199 CA PRO A 17 1.327 5.125 7.988 1.00 0.00 C ATOM 200 C PRO A 17 1.089 3.633 7.746 1.00 0.00 C ATOM 201 O PRO A 17 2.038 2.858 7.644 1.00 0.00 O ATOM 202 CB PRO A 17 1.151 5.966 6.734 1.00 0.00 C ATOM 203 CG PRO A 17 2.555 6.285 6.246 1.00 0.00 C ATOM 204 CD PRO A 17 3.526 5.951 7.368 1.00 0.00 C ATOM 0 HA PRO A 17 0.592 5.402 8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.588 5.423 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.596 6.879 6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.790 5.706 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.634 7.337 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.290 5.248 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.045 6.842 7.721 1.00 0.00 H new ATOM 212 N VAL A 18 -0.184 3.276 7.661 1.00 0.00 N ATOM 213 CA VAL A 18 -0.559 1.891 7.433 1.00 0.00 C ATOM 214 C VAL A 18 -1.092 1.740 6.007 1.00 0.00 C ATOM 215 O VAL A 18 -2.175 2.230 5.689 1.00 0.00 O ATOM 216 CB VAL A 18 -1.562 1.438 8.497 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.126 0.055 8.165 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.928 1.452 9.889 1.00 0.00 C ATOM 0 H VAL A 18 -0.969 3.922 7.746 1.00 0.00 H new ATOM 0 HA VAL A 18 0.310 1.240 7.526 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.391 2.146 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.836 -0.243 8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.632 0.090 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.312 -0.669 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.662 1.126 10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.072 0.777 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.598 2.463 10.128 1.00 0.00 H new ATOM 228 N LEU A 19 -0.307 1.059 5.185 1.00 0.00 N ATOM 229 CA LEU A 19 -0.686 0.837 3.800 1.00 0.00 C ATOM 230 C LEU A 19 -1.369 -0.526 3.675 1.00 0.00 C ATOM 231 O LEU A 19 -0.737 -1.562 3.875 1.00 0.00 O ATOM 232 CB LEU A 19 0.525 1.005 2.880 1.00 0.00 C ATOM 233 CG LEU A 19 0.254 0.857 1.381 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.201 2.184 0.772 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.473 0.281 0.658 1.00 0.00 C ATOM 0 H LEU A 19 0.590 0.654 5.452 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.409 1.587 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.956 1.991 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.279 0.272 3.167 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.563 0.147 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.387 2.051 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.117 2.514 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.576 2.935 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.254 0.186 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.325 0.947 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.709 -0.701 1.069 1.00 0.00 H new ATOM 247 N THR A 20 -2.652 -0.481 3.344 1.00 0.00 N ATOM 248 CA THR A 20 -3.428 -1.700 3.190 1.00 0.00 C ATOM 249 C THR A 20 -3.175 -2.322 1.815 1.00 0.00 C ATOM 250 O THR A 20 -3.608 -1.785 0.797 1.00 0.00 O ATOM 251 CB THR A 20 -4.898 -1.359 3.442 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.853 -0.346 4.443 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.659 -2.507 4.109 1.00 0.00 C ATOM 0 H THR A 20 -3.173 0.380 3.178 1.00 0.00 H new ATOM 0 HA THR A 20 -3.126 -2.456 3.915 1.00 0.00 H new ATOM 0 HB THR A 20 -5.378 -1.105 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.765 -0.065 4.665 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.697 -2.213 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.624 -3.388 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.199 -2.739 5.070 1.00 0.00 H new ATOM 261 N LEU A 21 -2.476 -3.448 1.830 1.00 0.00 N ATOM 262 CA LEU A 21 -2.160 -4.149 0.597 1.00 0.00 C ATOM 263 C LEU A 21 -3.094 -5.352 0.447 1.00 0.00 C ATOM 264 O LEU A 21 -3.092 -6.252 1.286 1.00 0.00 O ATOM 265 CB LEU A 21 -0.675 -4.514 0.553 1.00 0.00 C ATOM 266 CG LEU A 21 -0.298 -5.680 -0.362 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.976 -5.547 -1.728 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.221 -5.810 -0.487 1.00 0.00 C ATOM 0 H LEU A 21 -2.120 -3.892 2.676 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.330 -3.502 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.114 -3.634 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.350 -4.753 1.566 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.664 -6.601 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.691 -6.389 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.058 -5.541 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.662 -4.616 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.462 -6.647 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.632 -4.891 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.653 -5.985 0.498 1.00 0.00 H new ATOM 280 N PHE A 22 -3.869 -5.328 -0.627 1.00 0.00 N ATOM 281 CA PHE A 22 -4.806 -6.406 -0.897 1.00 0.00 C ATOM 282 C PHE A 22 -4.335 -7.259 -2.077 1.00 0.00 C ATOM 283 O PHE A 22 -4.483 -6.863 -3.232 1.00 0.00 O ATOM 284 CB PHE A 22 -6.144 -5.756 -1.255 1.00 0.00 C ATOM 285 CG PHE A 22 -6.866 -5.122 -0.065 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.508 -5.910 0.839 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.867 -3.771 0.090 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.179 -5.322 1.944 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.537 -3.183 1.195 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.179 -3.971 2.098 1.00 0.00 C ATOM 0 H PHE A 22 -3.868 -4.580 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.889 -7.054 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.973 -4.991 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.794 -6.508 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.507 -6.983 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.358 -3.145 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.689 -5.948 2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.537 -2.110 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.689 -3.524 2.938 1.00 0.00 H new ATOM 300 N THR A 23 -3.776 -8.413 -1.745 1.00 0.00 N ATOM 301 CA THR A 23 -3.282 -9.325 -2.763 1.00 0.00 C ATOM 302 C THR A 23 -4.183 -10.558 -2.857 1.00 0.00 C ATOM 303 O THR A 23 -5.039 -10.773 -2.000 1.00 0.00 O ATOM 304 CB THR A 23 -1.827 -9.660 -2.431 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.663 -10.997 -2.898 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.577 -9.759 -0.925 1.00 0.00 C ATOM 0 H THR A 23 -3.654 -8.738 -0.786 1.00 0.00 H new ATOM 0 HA THR A 23 -3.308 -8.866 -3.751 1.00 0.00 H new ATOM 0 HB THR A 23 -1.174 -8.899 -2.858 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.888 -11.404 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.529 -9.999 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.818 -8.807 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.206 -10.543 -0.502 1.00 0.00 H new ATOM 314 N LYS A 24 -3.960 -11.336 -3.906 1.00 0.00 N ATOM 315 CA LYS A 24 -4.742 -12.542 -4.124 1.00 0.00 C ATOM 316 C LYS A 24 -3.954 -13.500 -5.019 1.00 0.00 C ATOM 317 O LYS A 24 -2.813 -13.219 -5.383 1.00 0.00 O ATOM 318 CB LYS A 24 -6.128 -12.191 -4.668 1.00 0.00 C ATOM 319 CG LYS A 24 -6.033 -11.623 -6.085 1.00 0.00 C ATOM 320 CD LYS A 24 -7.195 -12.114 -6.952 1.00 0.00 C ATOM 321 CE LYS A 24 -7.253 -13.642 -6.976 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.917 -14.116 -8.210 1.00 0.00 N ATOM 0 H LYS A 24 -3.249 -11.155 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.917 -13.058 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.758 -13.081 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.607 -11.464 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.039 -10.534 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.087 -11.920 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.134 -11.717 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.081 -11.735 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.244 -14.051 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.794 -14.005 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.700 -15.123 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.946 -13.993 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.573 -13.566 -9.023 1.00 0.00 H new ATOM 385 N LEU A 29 0.723 -10.128 -10.426 1.00 0.00 N ATOM 386 CA LEU A 29 0.884 -8.699 -10.221 1.00 0.00 C ATOM 387 C LEU A 29 1.206 -8.432 -8.749 1.00 0.00 C ATOM 388 O LEU A 29 2.134 -7.688 -8.437 1.00 0.00 O ATOM 389 CB LEU A 29 -0.345 -7.943 -10.728 1.00 0.00 C ATOM 390 CG LEU A 29 -0.797 -8.276 -12.152 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.950 -7.369 -12.587 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.380 -8.215 -13.128 1.00 0.00 C ATOM 0 HA LEU A 29 1.724 -8.323 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.174 -8.141 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.137 -6.874 -10.674 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.171 -9.300 -12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.252 -7.626 -13.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.795 -7.505 -11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.626 -6.329 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.032 -8.456 -14.133 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.806 -7.212 -13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.141 -8.934 -12.826 1.00 0.00 H new ATOM 404 N CYS A 30 0.420 -9.055 -7.882 1.00 0.00 N ATOM 405 CA CYS A 30 0.609 -8.894 -6.451 1.00 0.00 C ATOM 406 C CYS A 30 2.106 -8.996 -6.150 1.00 0.00 C ATOM 407 O CYS A 30 2.634 -8.229 -5.346 1.00 0.00 O ATOM 408 CB CYS A 30 -0.204 -9.917 -5.654 1.00 0.00 C ATOM 409 SG CYS A 30 0.638 -11.542 -5.679 1.00 0.00 S ATOM 0 H CYS A 30 -0.349 -9.672 -8.144 1.00 0.00 H new ATOM 0 HA CYS A 30 0.242 -7.915 -6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.325 -9.576 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.204 -10.010 -6.078 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.059 -12.402 -4.998 1.00 0.00 H new ATOM 415 N ASP A 31 2.746 -9.949 -6.810 1.00 0.00 N ATOM 416 CA ASP A 31 4.172 -10.161 -6.624 1.00 0.00 C ATOM 417 C ASP A 31 4.921 -8.864 -6.935 1.00 0.00 C ATOM 418 O ASP A 31 5.546 -8.277 -6.053 1.00 0.00 O ATOM 419 CB ASP A 31 4.695 -11.247 -7.565 1.00 0.00 C ATOM 420 CG ASP A 31 5.009 -12.587 -6.897 1.00 0.00 C ATOM 421 OD1 ASP A 31 4.907 -12.637 -5.652 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.343 -13.530 -7.645 1.00 0.00 O ATOM 0 H ASP A 31 2.304 -10.584 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 31 4.335 -10.470 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.956 -11.414 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.599 -10.880 -8.051 1.00 0.00 H new ATOM 427 N GLU A 32 4.834 -8.455 -8.192 1.00 0.00 N ATOM 428 CA GLU A 32 5.496 -7.238 -8.631 1.00 0.00 C ATOM 429 C GLU A 32 5.180 -6.087 -7.673 1.00 0.00 C ATOM 430 O GLU A 32 6.088 -5.434 -7.161 1.00 0.00 O ATOM 431 CB GLU A 32 5.097 -6.883 -10.065 1.00 0.00 C ATOM 432 CG GLU A 32 6.208 -6.099 -10.765 1.00 0.00 C ATOM 433 CD GLU A 32 6.343 -6.527 -12.228 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.641 -7.722 -12.444 1.00 0.00 O ATOM 435 OE2 GLU A 32 6.146 -5.651 -13.096 1.00 0.00 O ATOM 0 H GLU A 32 4.315 -8.945 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 32 6.572 -7.409 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.883 -7.795 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.181 -6.293 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.993 -5.032 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.153 -6.259 -10.247 1.00 0.00 H new ATOM 442 N ALA A 33 3.890 -5.874 -7.460 1.00 0.00 N ATOM 443 CA ALA A 33 3.443 -4.813 -6.573 1.00 0.00 C ATOM 444 C ALA A 33 4.353 -4.766 -5.343 1.00 0.00 C ATOM 445 O ALA A 33 5.062 -3.784 -5.129 1.00 0.00 O ATOM 446 CB ALA A 33 1.976 -5.040 -6.204 1.00 0.00 C ATOM 0 H ALA A 33 3.140 -6.418 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 33 3.508 -3.845 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.641 -4.244 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.368 -5.036 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.872 -6.001 -5.701 1.00 0.00 H new ATOM 452 N LYS A 34 4.302 -5.839 -4.568 1.00 0.00 N ATOM 453 CA LYS A 34 5.112 -5.932 -3.365 1.00 0.00 C ATOM 454 C LYS A 34 6.546 -5.507 -3.688 1.00 0.00 C ATOM 455 O LYS A 34 7.110 -4.650 -3.009 1.00 0.00 O ATOM 456 CB LYS A 34 5.008 -7.332 -2.756 1.00 0.00 C ATOM 457 CG LYS A 34 3.632 -7.554 -2.124 1.00 0.00 C ATOM 458 CD LYS A 34 3.470 -9.002 -1.658 1.00 0.00 C ATOM 459 CE LYS A 34 2.060 -9.518 -1.952 1.00 0.00 C ATOM 460 NZ LYS A 34 2.062 -10.993 -2.072 1.00 0.00 N ATOM 0 H LYS A 34 3.713 -6.651 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 34 4.740 -5.249 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.183 -8.082 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.784 -7.463 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.503 -6.879 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.853 -7.311 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.204 -9.633 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.670 -9.068 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.381 -9.213 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.689 -9.073 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.097 -11.326 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.694 -11.277 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.396 -11.413 -1.181 1.00 0.00 H new ATOM 474 N GLU A 35 7.094 -6.125 -4.723 1.00 0.00 N ATOM 475 CA GLU A 35 8.451 -5.821 -5.144 1.00 0.00 C ATOM 476 C GLU A 35 8.612 -4.317 -5.371 1.00 0.00 C ATOM 477 O GLU A 35 9.715 -3.784 -5.264 1.00 0.00 O ATOM 478 CB GLU A 35 8.825 -6.609 -6.401 1.00 0.00 C ATOM 479 CG GLU A 35 8.337 -8.056 -6.307 1.00 0.00 C ATOM 480 CD GLU A 35 9.468 -9.038 -6.616 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.409 -9.098 -5.795 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.368 -9.706 -7.668 1.00 0.00 O ATOM 0 H GLU A 35 6.623 -6.835 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 35 9.133 -6.124 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.388 -6.131 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.907 -6.594 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.947 -8.248 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.514 -8.212 -7.005 1.00 0.00 H new ATOM 489 N VAL A 36 7.495 -3.675 -5.681 1.00 0.00 N ATOM 490 CA VAL A 36 7.499 -2.242 -5.925 1.00 0.00 C ATOM 491 C VAL A 36 7.438 -1.501 -4.587 1.00 0.00 C ATOM 492 O VAL A 36 7.781 -0.323 -4.511 1.00 0.00 O ATOM 493 CB VAL A 36 6.352 -1.869 -6.867 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.540 -0.457 -7.426 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.216 -2.892 -7.996 1.00 0.00 C ATOM 0 H VAL A 36 6.582 -4.120 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 36 8.422 -1.942 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 36 5.427 -1.881 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.712 -0.216 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.565 0.259 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.478 -0.407 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.394 -2.604 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.142 -2.926 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.015 -3.876 -7.573 1.00 0.00 H new ATOM 505 N LEU A 37 7.000 -2.224 -3.567 1.00 0.00 N ATOM 506 CA LEU A 37 6.890 -1.650 -2.236 1.00 0.00 C ATOM 507 C LEU A 37 8.101 -2.073 -1.402 1.00 0.00 C ATOM 508 O LEU A 37 8.250 -1.647 -0.257 1.00 0.00 O ATOM 509 CB LEU A 37 5.547 -2.018 -1.603 1.00 0.00 C ATOM 510 CG LEU A 37 4.305 -1.429 -2.274 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.092 -1.504 -1.344 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.569 -0.002 -2.759 1.00 0.00 C ATOM 0 H LEU A 37 6.717 -3.202 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 37 6.903 -0.561 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.454 -3.104 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.559 -1.698 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 37 4.074 -2.030 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.222 -1.079 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.892 -2.545 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.297 -0.942 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.670 0.394 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.839 0.627 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.386 -0.008 -3.480 1.00 0.00 H new ATOM 524 N GLN A 38 8.934 -2.907 -2.007 1.00 0.00 N ATOM 525 CA GLN A 38 10.127 -3.392 -1.333 1.00 0.00 C ATOM 526 C GLN A 38 10.882 -2.229 -0.686 1.00 0.00 C ATOM 527 O GLN A 38 11.191 -2.272 0.504 1.00 0.00 O ATOM 528 CB GLN A 38 11.029 -4.160 -2.302 1.00 0.00 C ATOM 529 CG GLN A 38 11.036 -5.655 -1.977 1.00 0.00 C ATOM 530 CD GLN A 38 12.440 -6.125 -1.589 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.634 -6.866 -0.640 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.404 -5.654 -2.375 1.00 0.00 N ATOM 0 H GLN A 38 8.807 -3.259 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 38 9.821 -4.082 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.683 -4.008 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.044 -3.768 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.343 -5.857 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.685 -6.220 -2.840 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.172 -5.037 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.376 -5.910 -2.200 1.00 0.00 H new ATOM 541 N PRO A 39 11.163 -1.192 -1.519 1.00 0.00 N ATOM 542 CA PRO A 39 11.875 -0.020 -1.040 1.00 0.00 C ATOM 543 C PRO A 39 10.964 0.866 -0.188 1.00 0.00 C ATOM 544 O PRO A 39 11.380 1.926 0.277 1.00 0.00 O ATOM 545 CB PRO A 39 12.376 0.677 -2.294 1.00 0.00 C ATOM 546 CG PRO A 39 11.537 0.129 -3.438 1.00 0.00 C ATOM 547 CD PRO A 39 10.812 -1.107 -2.933 1.00 0.00 C ATOM 0 HA PRO A 39 12.706 -0.274 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.265 1.758 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.435 0.477 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.822 0.878 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.170 -0.121 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.734 -1.017 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.128 -1.999 -3.473 1.00 0.00 H new ATOM 555 N TYR A 40 9.737 0.399 -0.010 1.00 0.00 N ATOM 556 CA TYR A 40 8.762 1.135 0.778 1.00 0.00 C ATOM 557 C TYR A 40 8.255 0.293 1.949 1.00 0.00 C ATOM 558 O TYR A 40 7.278 0.656 2.602 1.00 0.00 O ATOM 559 CB TYR A 40 7.595 1.432 -0.166 1.00 0.00 C ATOM 560 CG TYR A 40 7.973 2.292 -1.373 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.402 1.694 -2.540 1.00 0.00 C ATOM 562 CD2 TYR A 40 7.886 3.668 -1.294 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.758 2.504 -3.676 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.242 4.478 -2.430 1.00 0.00 C ATOM 565 CZ TYR A 40 8.661 3.856 -3.565 1.00 0.00 C ATOM 566 OH TYR A 40 8.997 4.621 -4.638 1.00 0.00 O ATOM 0 H TYR A 40 9.395 -0.480 -0.398 1.00 0.00 H new ATOM 0 HA TYR A 40 9.207 2.041 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.179 0.489 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.808 1.937 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.471 0.618 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.551 4.136 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.094 2.048 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.178 5.555 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 40 9.277 4.042 -5.377 1.00 0.00 H new ATOM 576 N LYS A 41 8.941 -0.817 2.180 1.00 0.00 N ATOM 577 CA LYS A 41 8.572 -1.715 3.261 1.00 0.00 C ATOM 578 C LYS A 41 8.786 -1.007 4.601 1.00 0.00 C ATOM 579 O LYS A 41 7.889 -0.979 5.442 1.00 0.00 O ATOM 580 CB LYS A 41 9.325 -3.040 3.139 1.00 0.00 C ATOM 581 CG LYS A 41 8.837 -3.839 1.928 1.00 0.00 C ATOM 582 CD LYS A 41 7.370 -4.239 2.091 1.00 0.00 C ATOM 583 CE LYS A 41 7.194 -5.751 1.938 1.00 0.00 C ATOM 584 NZ LYS A 41 6.701 -6.081 0.582 1.00 0.00 N ATOM 0 H LYS A 41 9.751 -1.115 1.636 1.00 0.00 H new ATOM 0 HA LYS A 41 7.514 -1.970 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.394 -2.848 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.185 -3.627 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.957 -3.244 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.450 -4.732 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.010 -3.925 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.763 -3.722 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.144 -6.254 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.492 -6.119 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.748 -6.493 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.664 -5.216 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.343 -6.767 0.136 1.00 0.00 H new ATOM 598 N ASP A 42 9.979 -0.453 4.757 1.00 0.00 N ATOM 599 CA ASP A 42 10.322 0.253 5.980 1.00 0.00 C ATOM 600 C ASP A 42 9.720 1.659 5.939 1.00 0.00 C ATOM 601 O ASP A 42 9.719 2.367 6.944 1.00 0.00 O ATOM 602 CB ASP A 42 11.838 0.392 6.128 1.00 0.00 C ATOM 603 CG ASP A 42 12.372 0.178 7.546 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.956 0.954 8.433 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.184 -0.758 7.712 1.00 0.00 O ATOM 0 H ASP A 42 10.720 -0.479 4.057 1.00 0.00 H new ATOM 0 HA ASP A 42 9.928 -0.318 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.320 -0.324 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.131 1.387 5.792 1.00 0.00 H new ATOM 610 N ARG A 43 9.222 2.020 4.765 1.00 0.00 N ATOM 611 CA ARG A 43 8.618 3.329 4.580 1.00 0.00 C ATOM 612 C ARG A 43 7.291 3.413 5.337 1.00 0.00 C ATOM 613 O ARG A 43 6.901 4.486 5.795 1.00 0.00 O ATOM 614 CB ARG A 43 8.371 3.616 3.098 1.00 0.00 C ATOM 615 CG ARG A 43 9.640 4.139 2.421 1.00 0.00 C ATOM 616 CD ARG A 43 9.915 5.591 2.818 1.00 0.00 C ATOM 617 NE ARG A 43 10.751 5.633 4.038 1.00 0.00 N ATOM 618 CZ ARG A 43 10.917 6.724 4.798 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.304 7.869 4.469 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.695 6.669 5.888 1.00 0.00 N ATOM 0 H ARG A 43 9.224 1.429 3.933 1.00 0.00 H new ATOM 0 HA ARG A 43 9.311 4.073 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.037 2.707 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.571 4.349 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.489 3.515 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.535 4.068 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.420 6.110 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.974 6.113 2.994 1.00 0.00 H new ATOM 0 HE ARG A 43 11.231 4.778 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.711 7.910 3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.430 8.700 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.161 5.797 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.822 7.499 6.467 1.00 0.00 H new ATOM 634 N PHE A 44 6.634 2.268 5.445 1.00 0.00 N ATOM 635 CA PHE A 44 5.359 2.198 6.138 1.00 0.00 C ATOM 636 C PHE A 44 5.028 0.758 6.535 1.00 0.00 C ATOM 637 O PHE A 44 5.837 -0.146 6.333 1.00 0.00 O ATOM 638 CB PHE A 44 4.293 2.705 5.165 1.00 0.00 C ATOM 639 CG PHE A 44 4.392 2.099 3.763 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.254 0.757 3.591 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.618 2.903 2.690 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.346 0.196 2.290 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.710 2.342 1.389 1.00 0.00 C ATOM 644 CZ PHE A 44 4.572 1.000 1.216 1.00 0.00 C ATOM 0 H PHE A 44 6.961 1.380 5.064 1.00 0.00 H new ATOM 0 HA PHE A 44 5.397 2.797 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.307 2.486 5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.373 3.789 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.075 0.119 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.728 3.969 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.237 -0.870 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.890 2.981 0.537 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.642 0.573 0.227 1.00 0.00 H new ATOM 654 N ILE A 45 3.838 0.590 7.092 1.00 0.00 N ATOM 655 CA ILE A 45 3.390 -0.724 7.518 1.00 0.00 C ATOM 656 C ILE A 45 2.507 -1.336 6.429 1.00 0.00 C ATOM 657 O ILE A 45 1.327 -1.007 6.324 1.00 0.00 O ATOM 658 CB ILE A 45 2.710 -0.641 8.886 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.682 -0.130 9.952 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.089 -1.985 9.273 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.941 0.644 11.044 1.00 0.00 C ATOM 0 H ILE A 45 3.170 1.343 7.258 1.00 0.00 H new ATOM 0 HA ILE A 45 4.241 -1.391 7.651 1.00 0.00 H new ATOM 0 HB ILE A 45 1.897 0.082 8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.216 -0.971 10.396 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.430 0.514 9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.612 -1.898 10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.344 -2.269 8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.868 -2.747 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.655 0.996 11.789 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.428 1.498 10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.211 -0.010 11.522 1.00 0.00 H new ATOM 673 N LEU A 46 3.114 -2.216 5.645 1.00 0.00 N ATOM 674 CA LEU A 46 2.398 -2.876 4.567 1.00 0.00 C ATOM 675 C LEU A 46 1.459 -3.931 5.156 1.00 0.00 C ATOM 676 O LEU A 46 1.909 -4.976 5.623 1.00 0.00 O ATOM 677 CB LEU A 46 3.379 -3.434 3.535 1.00 0.00 C ATOM 678 CG LEU A 46 2.756 -4.041 2.276 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.910 -3.007 1.530 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.828 -4.660 1.377 1.00 0.00 C ATOM 0 H LEU A 46 4.093 -2.487 5.735 1.00 0.00 H new ATOM 0 HA LEU A 46 1.777 -2.161 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.052 -2.632 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.989 -4.197 4.018 1.00 0.00 H new ATOM 0 HG LEU A 46 2.087 -4.846 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.479 -3.464 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.110 -2.654 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.538 -2.165 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.358 -5.084 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.540 -3.891 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.350 -5.446 1.922 1.00 0.00 H new ATOM 692 N GLN A 47 0.172 -3.621 5.115 1.00 0.00 N ATOM 693 CA GLN A 47 -0.835 -4.529 5.638 1.00 0.00 C ATOM 694 C GLN A 47 -1.381 -5.418 4.519 1.00 0.00 C ATOM 695 O GLN A 47 -2.253 -5.000 3.759 1.00 0.00 O ATOM 696 CB GLN A 47 -1.963 -3.759 6.327 1.00 0.00 C ATOM 697 CG GLN A 47 -2.555 -4.570 7.482 1.00 0.00 C ATOM 698 CD GLN A 47 -3.835 -3.919 8.010 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.667 -3.430 7.263 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.946 -3.940 9.335 1.00 0.00 N ATOM 0 H GLN A 47 -0.197 -2.753 4.727 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.366 -5.168 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.583 -2.809 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.744 -3.526 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.771 -5.584 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.824 -4.650 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.212 -4.366 9.902 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.765 -3.531 9.785 1.00 0.00 H new ATOM 709 N GLU A 48 -0.846 -6.629 4.454 1.00 0.00 N ATOM 710 CA GLU A 48 -1.269 -7.580 3.441 1.00 0.00 C ATOM 711 C GLU A 48 -2.592 -8.233 3.845 1.00 0.00 C ATOM 712 O GLU A 48 -2.623 -9.082 4.736 1.00 0.00 O ATOM 713 CB GLU A 48 -0.189 -8.636 3.195 1.00 0.00 C ATOM 714 CG GLU A 48 0.629 -8.302 1.946 1.00 0.00 C ATOM 715 CD GLU A 48 2.102 -8.669 2.140 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.367 -9.879 2.307 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.928 -7.732 2.118 1.00 0.00 O ATOM 0 H GLU A 48 -0.123 -6.973 5.087 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.423 -7.041 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.470 -8.696 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.653 -9.616 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.226 -8.841 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.542 -7.238 1.724 1.00 0.00 H new ATOM 724 N VAL A 49 -3.653 -7.813 3.172 1.00 0.00 N ATOM 725 CA VAL A 49 -4.975 -8.347 3.450 1.00 0.00 C ATOM 726 C VAL A 49 -5.303 -9.443 2.434 1.00 0.00 C ATOM 727 O VAL A 49 -5.211 -9.223 1.228 1.00 0.00 O ATOM 728 CB VAL A 49 -6.005 -7.215 3.461 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.424 -7.766 3.609 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.693 -6.201 4.563 1.00 0.00 C ATOM 0 H VAL A 49 -3.624 -7.109 2.435 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.002 -8.803 4.440 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.945 -6.698 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.136 -6.941 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.645 -8.431 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.504 -8.320 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.440 -5.407 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.712 -6.700 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.705 -5.773 4.394 1.00 0.00 H new ATOM 740 N ASP A 50 -5.678 -10.600 2.960 1.00 0.00 N ATOM 741 CA ASP A 50 -6.019 -11.731 2.113 1.00 0.00 C ATOM 742 C ASP A 50 -7.500 -11.652 1.738 1.00 0.00 C ATOM 743 O ASP A 50 -8.368 -11.974 2.549 1.00 0.00 O ATOM 744 CB ASP A 50 -5.786 -13.055 2.843 1.00 0.00 C ATOM 745 CG ASP A 50 -4.347 -13.573 2.798 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.534 -12.932 2.098 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.092 -14.599 3.465 1.00 0.00 O ATOM 0 H ASP A 50 -5.753 -10.779 3.961 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.386 -11.692 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.081 -12.935 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.442 -13.811 2.412 1.00 0.00 H new ATOM 752 N ILE A 51 -7.744 -11.223 0.508 1.00 0.00 N ATOM 753 CA ILE A 51 -9.105 -11.098 0.016 1.00 0.00 C ATOM 754 C ILE A 51 -9.608 -12.472 -0.434 1.00 0.00 C ATOM 755 O ILE A 51 -10.810 -12.671 -0.606 1.00 0.00 O ATOM 756 CB ILE A 51 -9.185 -10.027 -1.074 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.269 -10.373 -2.250 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.885 -8.640 -0.503 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.695 -9.625 -3.515 1.00 0.00 C ATOM 0 H ILE A 51 -7.022 -10.958 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.768 -10.760 0.812 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.206 -10.004 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.239 -10.117 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.295 -11.447 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.949 -7.898 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.611 -8.402 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.881 -8.631 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.028 -9.889 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.717 -9.902 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.644 -8.551 -3.337 1.00 0.00 H new ATOM 771 N THR A 52 -8.664 -13.384 -0.611 1.00 0.00 N ATOM 772 CA THR A 52 -8.996 -14.732 -1.037 1.00 0.00 C ATOM 773 C THR A 52 -9.724 -15.481 0.081 1.00 0.00 C ATOM 774 O THR A 52 -10.305 -16.539 -0.151 1.00 0.00 O ATOM 775 CB THR A 52 -7.704 -15.418 -1.486 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.860 -15.354 -0.340 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.952 -14.612 -2.548 1.00 0.00 C ATOM 0 H THR A 52 -7.668 -13.215 -0.467 1.00 0.00 H new ATOM 0 HA THR A 52 -9.686 -14.721 -1.881 1.00 0.00 H new ATOM 0 HB THR A 52 -7.936 -16.408 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.000 -15.778 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.043 -15.143 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.587 -14.484 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.690 -13.634 -2.145 1.00 0.00 H new ATOM 785 N LEU A 53 -9.667 -14.902 1.272 1.00 0.00 N ATOM 786 CA LEU A 53 -10.314 -15.501 2.427 1.00 0.00 C ATOM 787 C LEU A 53 -11.828 -15.307 2.316 1.00 0.00 C ATOM 788 O LEU A 53 -12.293 -14.412 1.612 1.00 0.00 O ATOM 789 CB LEU A 53 -9.716 -14.948 3.722 1.00 0.00 C ATOM 790 CG LEU A 53 -8.329 -15.473 4.098 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.848 -14.856 5.413 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.315 -17.002 4.143 1.00 0.00 C ATOM 0 H LEU A 53 -9.183 -14.025 1.462 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.131 -16.575 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.662 -13.863 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.401 -15.171 4.540 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.626 -15.168 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.860 -15.246 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.795 -13.772 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.546 -15.110 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.317 -17.349 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.033 -17.351 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.584 -17.397 3.164 1.00 0.00 H new ATOM 804 N PRO A 54 -12.574 -16.183 3.041 1.00 0.00 N ATOM 805 CA PRO A 54 -14.025 -16.116 3.031 1.00 0.00 C ATOM 806 C PRO A 54 -14.526 -14.940 3.872 1.00 0.00 C ATOM 807 O PRO A 54 -15.501 -14.284 3.509 1.00 0.00 O ATOM 808 CB PRO A 54 -14.484 -17.465 3.562 1.00 0.00 C ATOM 809 CG PRO A 54 -13.285 -18.059 4.283 1.00 0.00 C ATOM 810 CD PRO A 54 -12.058 -17.255 3.886 1.00 0.00 C ATOM 0 HA PRO A 54 -14.431 -15.935 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.330 -17.351 4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.812 -18.114 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.432 -18.023 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.158 -19.107 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.545 -16.857 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.338 -17.871 3.348 1.00 0.00 H new ATOM 818 N GLU A 55 -13.837 -14.710 4.980 1.00 0.00 N ATOM 819 CA GLU A 55 -14.200 -13.625 5.875 1.00 0.00 C ATOM 820 C GLU A 55 -13.838 -12.277 5.248 1.00 0.00 C ATOM 821 O GLU A 55 -14.353 -11.239 5.661 1.00 0.00 O ATOM 822 CB GLU A 55 -13.529 -13.793 7.240 1.00 0.00 C ATOM 823 CG GLU A 55 -12.033 -13.483 7.158 1.00 0.00 C ATOM 824 CD GLU A 55 -11.328 -13.835 8.469 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.171 -15.049 8.721 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.961 -12.881 9.190 1.00 0.00 O ATOM 0 H GLU A 55 -13.029 -15.257 5.278 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.278 -13.653 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.002 -13.131 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.674 -14.813 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.586 -14.045 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.889 -12.426 6.936 1.00 0.00 H new ATOM 833 N ASN A 56 -12.955 -12.336 4.263 1.00 0.00 N ATOM 834 CA ASN A 56 -12.519 -11.133 3.575 1.00 0.00 C ATOM 835 C ASN A 56 -13.110 -11.113 2.164 1.00 0.00 C ATOM 836 O ASN A 56 -12.770 -10.250 1.357 1.00 0.00 O ATOM 837 CB ASN A 56 -10.994 -11.092 3.449 1.00 0.00 C ATOM 838 CG ASN A 56 -10.333 -11.002 4.826 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.882 -10.463 5.773 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.125 -11.556 4.883 1.00 0.00 N ATOM 0 H ASN A 56 -12.529 -13.199 3.924 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.857 -10.274 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.644 -11.985 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.698 -10.236 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.600 -11.546 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.724 -11.991 4.052 1.00 0.00 H new ATOM 847 N SER A 57 -13.985 -12.076 1.911 1.00 0.00 N ATOM 848 CA SER A 57 -14.627 -12.180 0.611 1.00 0.00 C ATOM 849 C SER A 57 -15.130 -10.806 0.165 1.00 0.00 C ATOM 850 O SER A 57 -15.166 -10.512 -1.029 1.00 0.00 O ATOM 851 CB SER A 57 -15.782 -13.183 0.647 1.00 0.00 C ATOM 852 OG SER A 57 -16.064 -13.718 -0.643 1.00 0.00 O ATOM 0 H SER A 57 -14.264 -12.790 2.583 1.00 0.00 H new ATOM 0 HA SER A 57 -13.891 -12.540 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.536 -13.995 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.674 -12.695 1.040 1.00 0.00 H new ATOM 0 HG SER A 57 -16.806 -14.355 -0.578 1.00 0.00 H new ATOM 858 N THR A 58 -15.506 -10.001 1.147 1.00 0.00 N ATOM 859 CA THR A 58 -16.006 -8.665 0.870 1.00 0.00 C ATOM 860 C THR A 58 -14.923 -7.819 0.196 1.00 0.00 C ATOM 861 O THR A 58 -15.171 -7.192 -0.832 1.00 0.00 O ATOM 862 CB THR A 58 -16.513 -8.067 2.184 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.766 -8.711 2.398 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.872 -6.586 2.054 1.00 0.00 C ATOM 0 H THR A 58 -15.475 -10.248 2.136 1.00 0.00 H new ATOM 0 HA THR A 58 -16.838 -8.693 0.166 1.00 0.00 H new ATOM 0 HB THR A 58 -15.752 -8.189 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.164 -8.383 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.226 -6.212 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.990 -6.023 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.656 -6.466 1.307 1.00 0.00 H new ATOM 872 N TRP A 59 -13.746 -7.831 0.803 1.00 0.00 N ATOM 873 CA TRP A 59 -12.624 -7.073 0.275 1.00 0.00 C ATOM 874 C TRP A 59 -12.421 -7.485 -1.184 1.00 0.00 C ATOM 875 O TRP A 59 -12.008 -6.673 -2.011 1.00 0.00 O ATOM 876 CB TRP A 59 -11.373 -7.274 1.133 1.00 0.00 C ATOM 877 CG TRP A 59 -11.299 -6.352 2.351 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.223 -6.697 3.644 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.297 -4.908 2.338 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.172 -5.586 4.461 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.219 -4.464 3.642 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.360 -4.008 1.260 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.196 -3.108 3.990 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.336 -2.657 1.624 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.257 -2.193 2.932 1.00 0.00 C ATOM 0 H TRP A 59 -13.544 -8.354 1.655 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.831 -6.003 0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.340 -8.310 1.472 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.491 -7.113 0.514 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.204 -7.716 4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.111 -5.588 5.479 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.422 -4.333 0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.135 -2.785 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.382 -1.923 0.833 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.243 -1.132 3.131 1.00 0.00 H new ATOM 896 N TYR A 60 -12.720 -8.747 -1.457 1.00 0.00 N ATOM 897 CA TYR A 60 -12.576 -9.276 -2.802 1.00 0.00 C ATOM 898 C TYR A 60 -13.767 -8.882 -3.678 1.00 0.00 C ATOM 899 O TYR A 60 -13.591 -8.286 -4.740 1.00 0.00 O ATOM 900 CB TYR A 60 -12.548 -10.799 -2.655 1.00 0.00 C ATOM 901 CG TYR A 60 -12.117 -11.539 -3.923 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.053 -11.864 -4.884 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.792 -11.881 -4.107 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.648 -12.560 -6.077 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.387 -12.577 -5.300 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.335 -12.882 -6.227 1.00 0.00 C ATOM 907 OH TYR A 60 -10.952 -13.540 -7.354 1.00 0.00 O ATOM 0 H TYR A 60 -13.061 -9.418 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.675 -8.884 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.869 -11.063 -1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.540 -11.144 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.089 -11.596 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.059 -11.626 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.371 -12.821 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.354 -12.851 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.542 -13.290 -8.095 1.00 0.00 H new ATOM 917 N GLU A 61 -14.952 -9.231 -3.200 1.00 0.00 N ATOM 918 CA GLU A 61 -16.172 -8.921 -3.926 1.00 0.00 C ATOM 919 C GLU A 61 -16.152 -7.467 -4.401 1.00 0.00 C ATOM 920 O GLU A 61 -16.736 -7.139 -5.433 1.00 0.00 O ATOM 921 CB GLU A 61 -17.407 -9.200 -3.068 1.00 0.00 C ATOM 922 CG GLU A 61 -17.574 -10.701 -2.819 1.00 0.00 C ATOM 923 CD GLU A 61 -18.857 -11.225 -3.468 1.00 0.00 C ATOM 924 OE1 GLU A 61 -18.987 -11.041 -4.698 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.678 -11.797 -2.720 1.00 0.00 O ATOM 0 H GLU A 61 -15.094 -9.725 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.225 -9.568 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.318 -8.677 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.295 -8.809 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.714 -11.238 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.599 -10.895 -1.747 1.00 0.00 H new ATOM 932 N ARG A 62 -15.475 -6.633 -3.625 1.00 0.00 N ATOM 933 CA ARG A 62 -15.372 -5.222 -3.954 1.00 0.00 C ATOM 934 C ARG A 62 -14.138 -4.968 -4.822 1.00 0.00 C ATOM 935 O ARG A 62 -14.161 -4.112 -5.705 1.00 0.00 O ATOM 936 CB ARG A 62 -15.281 -4.367 -2.688 1.00 0.00 C ATOM 937 CG ARG A 62 -13.940 -4.574 -1.982 1.00 0.00 C ATOM 938 CD ARG A 62 -13.790 -3.617 -0.797 1.00 0.00 C ATOM 939 NE ARG A 62 -14.718 -2.474 -0.949 1.00 0.00 N ATOM 940 CZ ARG A 62 -16.000 -2.490 -0.559 1.00 0.00 C ATOM 941 NH1 ARG A 62 -16.514 -3.589 0.009 1.00 0.00 N ATOM 942 NH2 ARG A 62 -16.768 -1.406 -0.737 1.00 0.00 N ATOM 0 H ARG A 62 -14.993 -6.908 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.271 -4.943 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.402 -3.315 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.096 -4.625 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.864 -5.604 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.125 -4.415 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.998 -4.143 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.763 -3.257 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.359 -1.621 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.930 -4.414 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.490 -3.601 0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.377 -0.569 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.744 -1.418 -0.440 1.00 0.00 H new ATOM 956 N TYR A 63 -13.089 -5.727 -4.540 1.00 0.00 N ATOM 957 CA TYR A 63 -11.848 -5.595 -5.285 1.00 0.00 C ATOM 958 C TYR A 63 -11.342 -6.961 -5.754 1.00 0.00 C ATOM 959 O TYR A 63 -10.338 -7.462 -5.250 1.00 0.00 O ATOM 960 CB TYR A 63 -10.833 -4.996 -4.309 1.00 0.00 C ATOM 961 CG TYR A 63 -11.135 -3.552 -3.906 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.400 -2.606 -4.875 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.141 -3.194 -2.573 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.684 -1.246 -4.496 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.425 -1.834 -2.194 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.682 -0.927 -3.174 1.00 0.00 C ATOM 967 OH TYR A 63 -11.950 0.357 -2.816 1.00 0.00 O ATOM 0 H TYR A 63 -13.073 -6.435 -3.806 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.995 -4.975 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.799 -5.613 -3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.842 -5.037 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.394 -2.886 -5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.933 -3.934 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.894 -0.496 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.434 -1.541 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.915 0.439 -1.840 1.00 0.00 H new ATOM 977 N LYS A 64 -12.061 -7.524 -6.714 1.00 0.00 N ATOM 978 CA LYS A 64 -11.698 -8.822 -7.257 1.00 0.00 C ATOM 979 C LYS A 64 -11.057 -8.633 -8.633 1.00 0.00 C ATOM 980 O LYS A 64 -10.395 -9.536 -9.143 1.00 0.00 O ATOM 981 CB LYS A 64 -12.908 -9.758 -7.265 1.00 0.00 C ATOM 982 CG LYS A 64 -13.985 -9.253 -8.228 1.00 0.00 C ATOM 983 CD LYS A 64 -15.309 -9.985 -8.003 1.00 0.00 C ATOM 984 CE LYS A 64 -16.464 -8.994 -7.847 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.459 -9.506 -6.878 1.00 0.00 N ATOM 0 H LYS A 64 -12.893 -7.105 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.955 -9.306 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.595 -10.760 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.321 -9.833 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.129 -8.182 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.655 -9.399 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.508 -10.651 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.237 -10.608 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.081 -8.031 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.941 -8.827 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.353 -9.706 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.101 -10.380 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.623 -8.793 -6.139 1.00 0.00 H new ATOM 999 N PHE A 65 -11.278 -7.455 -9.196 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.731 -7.136 -10.504 1.00 0.00 C ATOM 1001 C PHE A 65 -10.062 -5.760 -10.498 1.00 0.00 C ATOM 1002 O PHE A 65 -9.696 -5.239 -11.551 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.904 -7.115 -11.487 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.167 -6.453 -10.934 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.196 -5.110 -10.725 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.263 -7.209 -10.651 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.369 -4.496 -10.212 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.435 -6.595 -10.138 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.464 -5.251 -9.929 1.00 0.00 C ATOM 0 H PHE A 65 -11.829 -6.709 -8.771 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.980 -7.875 -10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.597 -6.590 -12.392 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.140 -8.139 -11.777 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.327 -4.510 -10.949 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.241 -8.276 -10.817 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.392 -3.429 -10.047 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.304 -7.195 -9.913 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.356 -4.784 -9.539 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.923 -5.210 -9.300 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.304 -3.905 -9.143 1.00 0.00 C ATOM 1021 C ASP A 66 -8.094 -4.027 -8.215 1.00 0.00 C ATOM 1022 O ASP A 66 -7.749 -3.079 -7.511 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.280 -2.905 -8.519 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.759 -3.263 -8.673 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.115 -4.391 -8.269 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.501 -2.400 -9.191 1.00 0.00 O ATOM 0 H ASP A 66 -10.229 -5.645 -8.429 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.007 -3.551 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.053 -2.813 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.110 -1.926 -8.967 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.482 -5.202 -8.245 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.318 -5.460 -7.415 1.00 0.00 C ATOM 1033 C ILE A 67 -5.073 -5.541 -8.301 1.00 0.00 C ATOM 1034 O ILE A 67 -5.180 -5.718 -9.513 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.540 -6.703 -6.552 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.567 -7.640 -7.193 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.930 -6.317 -5.123 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.790 -8.882 -6.329 1.00 0.00 C ATOM 0 H ILE A 67 -7.770 -5.985 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.160 -4.639 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.599 -7.249 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.511 -7.112 -7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.224 -7.939 -8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.082 -7.219 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.134 -5.720 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.852 -5.736 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.524 -9.531 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.849 -9.420 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.156 -8.581 -5.347 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.890 -5.404 -7.644 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.852 -5.198 -6.206 1.00 0.00 C ATOM 1052 C PRO A 68 -4.256 -3.767 -5.847 1.00 0.00 C ATOM 1053 O PRO A 68 -4.020 -2.839 -6.619 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.426 -5.532 -5.799 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.601 -5.463 -7.074 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.563 -5.443 -8.251 1.00 0.00 C ATOM 0 HA PRO A 68 -4.563 -5.828 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.056 -4.825 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.370 -6.524 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.976 -4.570 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.932 -6.321 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.393 -4.574 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.440 -6.326 -8.878 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.859 -3.633 -4.675 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.298 -2.330 -4.204 1.00 0.00 C ATOM 1066 C VAL A 69 -4.363 -1.853 -3.091 1.00 0.00 C ATOM 1067 O VAL A 69 -3.748 -2.665 -2.401 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.763 -2.399 -3.766 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.188 -1.105 -3.070 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.676 -2.710 -4.953 1.00 0.00 C ATOM 0 H VAL A 69 -5.054 -4.405 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.247 -1.596 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.860 -3.213 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.233 -1.180 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.567 -0.945 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.067 -0.266 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.711 -2.753 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.573 -1.928 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.395 -3.670 -5.386 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.286 -0.538 -2.949 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.436 0.057 -1.932 1.00 0.00 C ATOM 1082 C PHE A 70 -4.144 1.224 -1.240 1.00 0.00 C ATOM 1083 O PHE A 70 -4.539 2.189 -1.892 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.188 0.582 -2.643 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.325 -0.512 -3.276 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.597 -0.949 -4.535 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.287 -1.047 -2.580 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.797 -1.965 -5.122 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.514 -2.062 -3.167 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.242 -2.500 -4.425 1.00 0.00 C ATOM 0 H PHE A 70 -4.799 0.132 -3.522 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.189 -0.685 -1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.493 1.284 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.583 1.140 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.421 -0.523 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.072 -0.700 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.013 -2.313 -6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.339 -2.486 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.851 -3.273 -4.871 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.283 1.097 0.071 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.936 2.129 0.858 1.00 0.00 C ATOM 1102 C HIS A 71 -3.918 2.779 1.797 1.00 0.00 C ATOM 1103 O HIS A 71 -3.344 2.111 2.655 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.148 1.561 1.599 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.168 0.907 0.698 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.283 0.245 1.183 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.231 0.821 -0.662 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -8.977 -0.215 0.153 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.324 0.142 -0.989 1.00 0.00 N ATOM 0 H HIS A 71 -3.954 0.295 0.608 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.319 2.908 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.804 0.831 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.631 2.365 2.154 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.528 0.131 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.514 1.235 -1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.899 -0.775 0.208 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.726 4.076 1.603 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.788 4.824 2.421 1.00 0.00 C ATOM 1119 C LEU A 72 -3.558 5.609 3.485 1.00 0.00 C ATOM 1120 O LEU A 72 -4.337 6.503 3.159 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.889 5.698 1.544 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.383 5.468 1.688 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.409 6.624 1.075 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.003 5.224 3.150 1.00 0.00 C ATOM 0 H LEU A 72 -4.205 4.627 0.891 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.118 4.145 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.163 5.536 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.100 6.743 1.770 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.120 4.568 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.476 6.436 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.168 6.708 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.148 7.553 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.073 5.063 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.283 6.091 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.528 4.343 3.520 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.314 5.245 4.735 1.00 0.00 N ATOM 1137 CA ASN A 73 -3.976 5.904 5.849 1.00 0.00 C ATOM 1138 C ASN A 73 -5.462 5.538 5.843 1.00 0.00 C ATOM 1139 O ASN A 73 -6.297 6.315 6.302 1.00 0.00 O ATOM 1140 CB ASN A 73 -3.863 7.425 5.735 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.986 7.995 6.851 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.396 8.126 7.993 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.759 8.327 6.459 1.00 0.00 N ATOM 0 H ASN A 73 -2.667 4.503 5.002 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.494 5.575 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.442 7.690 4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.856 7.872 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.097 8.717 7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.480 8.191 5.487 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.745 4.356 5.316 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.115 3.878 5.244 1.00 0.00 C ATOM 1152 C GLY A 74 -7.896 4.613 4.152 1.00 0.00 C ATOM 1153 O GLY A 74 -9.066 4.944 4.336 1.00 0.00 O ATOM 0 H GLY A 74 -5.049 3.715 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.120 2.807 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.605 4.023 6.207 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.216 4.848 3.040 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.830 5.538 1.919 1.00 0.00 C ATOM 1159 C GLN A 75 -7.179 5.101 0.605 1.00 0.00 C ATOM 1160 O GLN A 75 -5.972 5.255 0.425 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.745 7.055 2.095 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.118 7.706 1.919 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.993 9.225 1.785 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -9.155 9.974 2.734 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -8.695 9.636 0.556 1.00 0.00 N ATOM 0 H GLN A 75 -6.245 4.573 2.891 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.886 5.268 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.352 7.288 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.046 7.470 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.607 7.299 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.751 7.464 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.573 8.955 -0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.589 10.632 0.363 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.007 4.565 -0.280 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.527 4.105 -1.572 1.00 0.00 C ATOM 1176 C PHE A 76 -6.473 5.060 -2.137 1.00 0.00 C ATOM 1177 O PHE A 76 -6.789 6.191 -2.504 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.732 4.079 -2.513 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.396 4.433 -3.964 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.550 3.644 -4.678 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.944 5.537 -4.538 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.238 3.973 -6.024 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.633 5.866 -5.884 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.786 5.077 -6.598 1.00 0.00 C ATOM 0 H PHE A 76 -9.008 4.439 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.069 3.121 -1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.180 3.085 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.483 4.777 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.115 2.767 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.616 6.164 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.566 3.346 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.069 6.742 -6.340 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.549 5.328 -7.621 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.244 4.570 -2.189 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.142 5.366 -2.703 1.00 0.00 C ATOM 1196 C LEU A 77 -3.956 5.069 -4.193 1.00 0.00 C ATOM 1197 O LEU A 77 -3.729 5.979 -4.987 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.881 5.137 -1.868 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.635 4.696 -2.641 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -0.993 5.880 -3.367 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.644 3.982 -1.720 1.00 0.00 C ATOM 0 H LEU A 77 -4.986 3.632 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.366 6.429 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.648 6.060 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.101 4.383 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.941 3.979 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.110 5.540 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.708 6.306 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.703 6.639 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.232 3.679 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.339 4.657 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.118 3.100 -1.289 1.00 0.00 H new ATOM 1213 N MET A 78 -4.059 3.790 -4.526 1.00 0.00 N ATOM 1214 CA MET A 78 -3.904 3.362 -5.906 1.00 0.00 C ATOM 1215 C MET A 78 -4.158 1.859 -6.045 1.00 0.00 C ATOM 1216 O MET A 78 -3.880 1.092 -5.125 1.00 0.00 O ATOM 1217 CB MET A 78 -2.489 3.688 -6.386 1.00 0.00 C ATOM 1218 CG MET A 78 -1.471 2.706 -5.801 1.00 0.00 C ATOM 1219 SD MET A 78 0.180 3.358 -5.983 1.00 0.00 S ATOM 1220 CE MET A 78 1.042 2.359 -4.781 1.00 0.00 C ATOM 0 H MET A 78 -4.248 3.037 -3.864 1.00 0.00 H new ATOM 0 HA MET A 78 -4.635 3.893 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.453 3.649 -7.475 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.228 4.705 -6.094 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.687 2.530 -4.747 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.549 1.744 -6.307 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.099 2.626 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.620 2.535 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.935 1.306 -5.039 1.00 0.00 H new ATOM 1230 N MET A 79 -4.682 1.485 -7.203 1.00 0.00 N ATOM 1231 CA MET A 79 -4.976 0.088 -7.474 1.00 0.00 C ATOM 1232 C MET A 79 -4.707 -0.254 -8.941 1.00 0.00 C ATOM 1233 O MET A 79 -4.740 0.623 -9.803 1.00 0.00 O ATOM 1234 CB MET A 79 -6.442 -0.199 -7.143 1.00 0.00 C ATOM 1235 CG MET A 79 -7.371 0.758 -7.894 1.00 0.00 C ATOM 1236 SD MET A 79 -9.074 0.331 -7.574 1.00 0.00 S ATOM 1237 CE MET A 79 -9.753 1.957 -7.288 1.00 0.00 C ATOM 0 H MET A 79 -4.910 2.125 -7.964 1.00 0.00 H new ATOM 0 HA MET A 79 -4.327 -0.528 -6.852 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.684 -1.228 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.602 -0.100 -6.069 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.180 1.784 -7.581 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.170 0.708 -8.964 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.824 1.945 -7.493 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.585 2.244 -6.250 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.265 2.676 -7.946 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.447 -1.531 -9.179 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.172 -2.000 -10.527 1.00 0.00 C ATOM 1249 C HIS A 80 -2.678 -1.859 -10.825 1.00 0.00 C ATOM 1250 O HIS A 80 -2.250 -2.030 -11.965 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.051 -1.271 -11.545 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.453 -0.994 -11.060 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.286 -0.066 -11.661 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.161 -1.532 -10.025 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.439 -0.054 -11.010 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.360 -0.963 -9.996 1.00 0.00 N ATOM 0 H HIS A 80 -4.421 -2.256 -8.462 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.424 -3.057 -10.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.576 -0.326 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.104 -1.867 -12.456 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.051 0.511 -12.469 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.806 -2.292 -9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.292 0.567 -11.241 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.926 -1.548 -9.779 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.488 -1.382 -9.915 1.00 0.00 C ATOM 1266 C ARG A 81 0.076 -0.637 -8.703 1.00 0.00 C ATOM 1267 O ARG A 81 -0.609 -0.476 -7.695 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.140 -0.608 -11.188 1.00 0.00 C ATOM 1269 CG ARG A 81 0.544 -1.516 -12.212 1.00 0.00 C ATOM 1270 CD ARG A 81 0.298 -1.018 -13.637 1.00 0.00 C ATOM 1271 NE ARG A 81 0.935 -1.933 -14.610 1.00 0.00 N ATOM 1272 CZ ARG A 81 0.427 -3.120 -14.970 1.00 0.00 C ATOM 1273 NH1 ARG A 81 -0.728 -3.542 -14.439 1.00 0.00 N ATOM 1274 NH2 ARG A 81 1.075 -3.884 -15.860 1.00 0.00 N ATOM 0 H ARG A 81 -2.285 -1.407 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.044 -2.375 -9.975 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.047 -0.185 -11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.516 0.227 -10.942 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.615 -1.550 -12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.168 -2.534 -12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.773 -0.957 -13.830 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.701 -0.012 -13.754 1.00 0.00 H new ATOM 0 HE ARG A 81 1.816 -1.642 -15.033 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.220 -2.960 -13.761 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.115 -4.445 -14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.955 -3.562 -16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.688 -4.787 -16.134 1.00 0.00 H new ATOM 1288 N VAL A 82 1.321 -0.204 -8.842 1.00 0.00 N ATOM 1289 CA VAL A 82 1.985 0.520 -7.772 1.00 0.00 C ATOM 1290 C VAL A 82 2.720 1.727 -8.358 1.00 0.00 C ATOM 1291 O VAL A 82 3.922 1.661 -8.615 1.00 0.00 O ATOM 1292 CB VAL A 82 2.907 -0.423 -6.996 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.717 0.341 -5.947 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.112 -1.561 -6.353 1.00 0.00 C ATOM 0 H VAL A 82 1.887 -0.341 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 82 1.255 0.900 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 82 3.608 -0.863 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.364 -0.353 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.327 1.099 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.038 0.823 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.791 -2.216 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.376 -1.147 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.602 -2.132 -7.129 1.00 0.00 H new ATOM 1304 N ASN A 83 1.969 2.800 -8.551 1.00 0.00 N ATOM 1305 CA ASN A 83 2.534 4.020 -9.102 1.00 0.00 C ATOM 1306 C ASN A 83 3.348 4.734 -8.021 1.00 0.00 C ATOM 1307 O ASN A 83 2.868 5.682 -7.402 1.00 0.00 O ATOM 1308 CB ASN A 83 1.434 4.974 -9.573 1.00 0.00 C ATOM 1309 CG ASN A 83 1.234 4.876 -11.086 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.811 3.864 -11.618 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.562 5.983 -11.748 1.00 0.00 N ATOM 0 H ASN A 83 0.973 2.851 -8.336 1.00 0.00 H new ATOM 0 HA ASN A 83 3.162 3.747 -9.950 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.500 4.738 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.695 5.997 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.465 6.018 -12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.911 6.796 -11.241 1.00 0.00 H new ATOM 1318 N THR A 84 4.566 4.251 -7.827 1.00 0.00 N ATOM 1319 CA THR A 84 5.451 4.830 -6.830 1.00 0.00 C ATOM 1320 C THR A 84 5.276 6.349 -6.780 1.00 0.00 C ATOM 1321 O THR A 84 5.037 6.916 -5.715 1.00 0.00 O ATOM 1322 CB THR A 84 6.881 4.395 -7.157 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.956 4.487 -8.577 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.122 2.912 -6.868 1.00 0.00 C ATOM 0 H THR A 84 4.961 3.465 -8.343 1.00 0.00 H new ATOM 0 HA THR A 84 5.207 4.472 -5.830 1.00 0.00 H new ATOM 0 HB THR A 84 7.584 4.997 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.852 4.224 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.152 2.655 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.944 2.714 -5.811 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.442 2.309 -7.470 1.00 0.00 H new ATOM 1332 N SER A 85 5.401 6.966 -7.946 1.00 0.00 N ATOM 1333 CA SER A 85 5.259 8.409 -8.049 1.00 0.00 C ATOM 1334 C SER A 85 4.114 8.887 -7.153 1.00 0.00 C ATOM 1335 O SER A 85 4.271 9.847 -6.399 1.00 0.00 O ATOM 1336 CB SER A 85 5.013 8.836 -9.497 1.00 0.00 C ATOM 1337 OG SER A 85 5.874 9.900 -9.893 1.00 0.00 O ATOM 0 H SER A 85 5.599 6.493 -8.828 1.00 0.00 H new ATOM 0 HA SER A 85 6.189 8.869 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.164 7.982 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.975 9.148 -9.612 1.00 0.00 H new ATOM 0 HG SER A 85 5.687 10.143 -10.824 1.00 0.00 H new ATOM 1343 N LYS A 86 2.989 8.195 -7.264 1.00 0.00 N ATOM 1344 CA LYS A 86 1.820 8.538 -6.473 1.00 0.00 C ATOM 1345 C LYS A 86 2.113 8.272 -4.995 1.00 0.00 C ATOM 1346 O LYS A 86 2.088 9.191 -4.179 1.00 0.00 O ATOM 1347 CB LYS A 86 0.585 7.802 -6.997 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.630 8.730 -7.039 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.412 8.553 -8.342 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.527 7.519 -8.177 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.454 6.503 -9.251 1.00 0.00 N ATOM 0 H LYS A 86 2.863 7.399 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 86 1.594 9.600 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.785 7.414 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.370 6.945 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.280 8.522 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.304 9.766 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.840 9.508 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.735 8.239 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.441 7.035 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.497 8.015 -8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.218 5.809 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.558 6.967 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.535 6.018 -9.208 1.00 0.00 H new ATOM 1365 N LEU A 87 2.384 7.010 -4.697 1.00 0.00 N ATOM 1366 CA LEU A 87 2.682 6.611 -3.331 1.00 0.00 C ATOM 1367 C LEU A 87 3.610 7.647 -2.693 1.00 0.00 C ATOM 1368 O LEU A 87 3.216 8.349 -1.764 1.00 0.00 O ATOM 1369 CB LEU A 87 3.236 5.185 -3.298 1.00 0.00 C ATOM 1370 CG LEU A 87 3.970 4.781 -2.018 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.036 4.844 -0.808 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.618 3.403 -2.170 1.00 0.00 C ATOM 0 H LEU A 87 2.404 6.250 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 87 1.771 6.588 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.410 4.492 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.918 5.062 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 87 4.773 5.497 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.582 4.552 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.661 5.861 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.198 4.164 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.133 3.139 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.849 2.660 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.334 3.426 -2.991 1.00 0.00 H new ATOM 1384 N GLU A 88 4.825 7.709 -3.218 1.00 0.00 N ATOM 1385 CA GLU A 88 5.812 8.647 -2.711 1.00 0.00 C ATOM 1386 C GLU A 88 5.166 10.009 -2.452 1.00 0.00 C ATOM 1387 O GLU A 88 5.279 10.556 -1.356 1.00 0.00 O ATOM 1388 CB GLU A 88 6.993 8.774 -3.675 1.00 0.00 C ATOM 1389 CG GLU A 88 7.454 7.399 -4.162 1.00 0.00 C ATOM 1390 CD GLU A 88 8.974 7.260 -4.051 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.484 7.474 -2.930 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.592 6.942 -5.091 1.00 0.00 O ATOM 0 H GLU A 88 5.148 7.125 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 88 6.197 8.264 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.706 9.388 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.819 9.284 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.970 6.620 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.146 7.254 -5.198 1.00 0.00 H new ATOM 1399 N LYS A 89 4.502 10.518 -3.480 1.00 0.00 N ATOM 1400 CA LYS A 89 3.838 11.807 -3.377 1.00 0.00 C ATOM 1401 C LYS A 89 2.960 11.824 -2.124 1.00 0.00 C ATOM 1402 O LYS A 89 2.930 12.816 -1.397 1.00 0.00 O ATOM 1403 CB LYS A 89 3.076 12.120 -4.666 1.00 0.00 C ATOM 1404 CG LYS A 89 2.822 13.623 -4.801 1.00 0.00 C ATOM 1405 CD LYS A 89 1.572 14.040 -4.024 1.00 0.00 C ATOM 1406 CE LYS A 89 0.461 14.492 -4.974 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.831 14.575 -4.259 1.00 0.00 N ATOM 0 H LYS A 89 4.410 10.062 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 89 4.571 12.606 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.646 11.765 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.126 11.585 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.686 14.176 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.704 13.882 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.220 13.205 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.820 14.849 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.711 15.464 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.379 13.792 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.515 13.929 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.695 14.306 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.193 15.549 -4.308 1.00 0.00 H new ATOM 1421 N GLN A 90 2.267 10.716 -1.911 1.00 0.00 N ATOM 1422 CA GLN A 90 1.390 10.592 -0.758 1.00 0.00 C ATOM 1423 C GLN A 90 2.212 10.554 0.532 1.00 0.00 C ATOM 1424 O GLN A 90 1.890 11.243 1.498 1.00 0.00 O ATOM 1425 CB GLN A 90 0.499 9.354 -0.878 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.474 9.490 -2.050 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.361 10.725 -1.886 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.289 10.754 -1.094 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.026 11.741 -2.677 1.00 0.00 N ATOM 0 H GLN A 90 2.294 9.896 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 90 0.739 11.466 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.118 8.468 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.059 9.212 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.084 9.560 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.096 8.597 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.237 11.650 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.558 12.611 -2.643 1.00 0.00 H new ATOM 1438 N LEU A 91 3.258 9.740 0.506 1.00 0.00 N ATOM 1439 CA LEU A 91 4.128 9.603 1.661 1.00 0.00 C ATOM 1440 C LEU A 91 4.747 10.962 1.992 1.00 0.00 C ATOM 1441 O LEU A 91 4.951 11.288 3.161 1.00 0.00 O ATOM 1442 CB LEU A 91 5.160 8.498 1.426 1.00 0.00 C ATOM 1443 CG LEU A 91 4.611 7.071 1.359 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.689 6.091 0.890 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.002 6.654 2.699 1.00 0.00 C ATOM 0 H LEU A 91 3.522 9.169 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 91 3.555 9.292 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.683 8.709 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.901 8.544 2.224 1.00 0.00 H new ATOM 0 HG LEU A 91 3.810 7.047 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.273 5.084 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.036 6.379 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.527 6.111 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.619 5.636 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.766 6.698 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.186 7.330 2.954 1.00 0.00 H new