USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 60 LYS NZ :NH3+ 163:sc= -0.879 (180deg=-1.43!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -3.86! K(o=-4.7!,f=-1.7) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 151:sc= -6.57! (180deg=-8.86!) USER MOD Single : A 48 GLN : amide:sc= -0.243 K(o=-0.24,f=-3!) USER MOD Single : A 51 MET CE :methyl -179:sc= -2.71 (180deg=-2.74) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 73 THR OG1 : rot 7:sc= -0.477 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.2!) USER MOD Single : A 82 ASN : amide:sc= -6.2! C(o=-6.2!,f=-2.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= 0.909 (180deg=-0.824) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.6! C(o=-2.6!,f=-7.1!) USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0.146 (180deg=0.146) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.136 -0.980 -12.278 1.00 0.00 N ATOM 143 CA GLU A 10 -8.484 -2.272 -12.094 1.00 0.00 C ATOM 144 C GLU A 10 -9.476 -3.430 -12.137 1.00 0.00 C ATOM 145 O GLU A 10 -10.511 -3.406 -11.472 1.00 0.00 O ATOM 146 CB GLU A 10 -7.701 -2.309 -10.777 1.00 0.00 C ATOM 147 CG GLU A 10 -7.003 -1.004 -10.416 1.00 0.00 C ATOM 148 CD GLU A 10 -6.998 -0.741 -8.922 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.169 -1.349 -8.215 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.823 0.075 -8.461 1.00 0.00 O ATOM 0 HA GLU A 10 -7.791 -2.393 -12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.385 -2.575 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.954 -3.101 -10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.976 -1.032 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.499 -0.178 -10.925 1.00 0.00 H new ATOM 157 N LYS A 11 -9.132 -4.453 -12.918 1.00 0.00 N ATOM 158 CA LYS A 11 -9.968 -5.643 -13.051 1.00 0.00 C ATOM 159 C LYS A 11 -9.962 -6.442 -11.747 1.00 0.00 C ATOM 160 O LYS A 11 -9.696 -5.886 -10.682 1.00 0.00 O ATOM 161 CB LYS A 11 -9.463 -6.506 -14.214 1.00 0.00 C ATOM 162 CG LYS A 11 -7.994 -6.873 -14.100 1.00 0.00 C ATOM 163 CD LYS A 11 -7.660 -8.127 -14.891 1.00 0.00 C ATOM 164 CE LYS A 11 -7.231 -7.794 -16.310 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.381 -7.807 -17.256 1.00 0.00 N ATOM 0 H LYS A 11 -8.275 -4.480 -13.471 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.993 -5.337 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.055 -7.420 -14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.625 -5.971 -15.150 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.384 -6.044 -14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.738 -7.026 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.863 -8.674 -14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.529 -8.784 -14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.760 -6.811 -16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.481 -8.513 -16.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.046 -7.575 -18.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.816 -8.752 -17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.085 -7.103 -16.956 1.00 0.00 H new ATOM 179 N ASP A 12 -10.254 -7.739 -11.824 1.00 0.00 N ATOM 180 CA ASP A 12 -10.270 -8.582 -10.634 1.00 0.00 C ATOM 181 C ASP A 12 -9.393 -9.819 -10.812 1.00 0.00 C ATOM 182 O ASP A 12 -9.556 -10.812 -10.102 1.00 0.00 O ATOM 183 CB ASP A 12 -11.703 -9.002 -10.303 1.00 0.00 C ATOM 184 CG ASP A 12 -11.960 -9.063 -8.812 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.308 -9.883 -8.130 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.811 -8.290 -8.323 1.00 0.00 O ATOM 0 H ASP A 12 -10.481 -8.225 -12.692 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.865 -7.998 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.399 -8.298 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.903 -9.979 -10.743 1.00 0.00 H new ATOM 191 N GLY A 13 -8.465 -9.757 -11.761 1.00 0.00 N ATOM 192 CA GLY A 13 -7.583 -10.884 -12.010 1.00 0.00 C ATOM 193 C GLY A 13 -6.221 -10.717 -11.362 1.00 0.00 C ATOM 194 O GLY A 13 -6.054 -9.909 -10.450 1.00 0.00 O ATOM 0 H GLY A 13 -8.307 -8.948 -12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.050 -11.795 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.456 -11.010 -13.085 1.00 0.00 H new ATOM 198 N ALA A 14 -5.247 -11.494 -11.833 1.00 0.00 N ATOM 199 CA ALA A 14 -3.892 -11.441 -11.293 1.00 0.00 C ATOM 200 C ALA A 14 -3.194 -10.133 -11.653 1.00 0.00 C ATOM 201 O ALA A 14 -3.794 -9.240 -12.251 1.00 0.00 O ATOM 202 CB ALA A 14 -3.082 -12.628 -11.793 1.00 0.00 C ATOM 0 H ALA A 14 -5.372 -12.168 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.964 -11.489 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.073 -12.578 -11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.558 -13.554 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.034 -12.603 -12.882 1.00 0.00 H new ATOM 208 N VAL A 15 -1.903 -10.055 -11.335 1.00 0.00 N ATOM 209 CA VAL A 15 -1.100 -8.888 -11.675 1.00 0.00 C ATOM 210 C VAL A 15 -0.907 -8.778 -13.184 1.00 0.00 C ATOM 211 O VAL A 15 -0.881 -9.792 -13.884 1.00 0.00 O ATOM 212 CB VAL A 15 0.272 -8.915 -10.986 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.117 -10.073 -11.496 1.00 0.00 C ATOM 214 CG2 VAL A 15 0.990 -7.589 -11.174 1.00 0.00 C ATOM 0 H VAL A 15 -1.393 -10.788 -10.842 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.647 -8.016 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 15 0.114 -9.067 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.083 -10.068 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.606 -11.014 -11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.268 -9.968 -12.570 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.960 -7.627 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.133 -7.400 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.393 -6.787 -10.740 1.00 0.00 H new ATOM 224 N GLU A 16 -0.731 -7.562 -13.686 1.00 0.00 N ATOM 225 CA GLU A 16 -0.495 -7.353 -15.107 1.00 0.00 C ATOM 226 C GLU A 16 0.633 -6.344 -15.309 1.00 0.00 C ATOM 227 O GLU A 16 1.024 -5.644 -14.374 1.00 0.00 O ATOM 228 CB GLU A 16 -1.767 -6.885 -15.820 1.00 0.00 C ATOM 229 CG GLU A 16 -2.572 -8.024 -16.432 1.00 0.00 C ATOM 230 CD GLU A 16 -2.720 -7.896 -17.936 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.652 -6.757 -18.445 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.903 -8.934 -18.604 1.00 0.00 O ATOM 0 H GLU A 16 -0.747 -6.707 -13.130 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.201 -8.307 -15.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.395 -6.347 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.496 -6.179 -16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.087 -8.972 -16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.561 -8.051 -15.975 1.00 0.00 H new ATOM 239 N ALA A 17 1.179 -6.323 -16.524 1.00 0.00 N ATOM 240 CA ALA A 17 2.311 -5.451 -16.872 1.00 0.00 C ATOM 241 C ALA A 17 2.451 -4.262 -15.912 1.00 0.00 C ATOM 242 O ALA A 17 3.372 -4.232 -15.097 1.00 0.00 O ATOM 243 CB ALA A 17 2.174 -4.960 -18.305 1.00 0.00 C ATOM 0 H ALA A 17 0.854 -6.906 -17.295 1.00 0.00 H new ATOM 0 HA ALA A 17 3.219 -6.047 -16.778 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.018 -4.315 -18.551 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.160 -5.814 -18.982 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.246 -4.398 -18.410 1.00 0.00 H new ATOM 249 N GLU A 18 1.561 -3.277 -16.012 1.00 0.00 N ATOM 250 CA GLU A 18 1.644 -2.099 -15.146 1.00 0.00 C ATOM 251 C GLU A 18 0.404 -1.963 -14.261 1.00 0.00 C ATOM 252 O GLU A 18 -0.450 -1.107 -14.493 1.00 0.00 O ATOM 253 CB GLU A 18 1.823 -0.836 -15.992 1.00 0.00 C ATOM 254 CG GLU A 18 2.902 -0.966 -17.056 1.00 0.00 C ATOM 255 CD GLU A 18 2.443 -0.481 -18.417 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.532 0.739 -18.673 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.992 -1.319 -19.226 1.00 0.00 O ATOM 0 H GLU A 18 0.784 -3.268 -16.673 1.00 0.00 H new ATOM 0 HA GLU A 18 2.509 -2.225 -14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.876 -0.594 -16.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.069 -0.001 -15.336 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.780 -0.397 -16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.209 -2.009 -17.131 1.00 0.00 H new ATOM 264 N ASP A 19 0.307 -2.837 -13.258 1.00 0.00 N ATOM 265 CA ASP A 19 -0.836 -2.850 -12.341 1.00 0.00 C ATOM 266 C ASP A 19 -0.544 -2.158 -11.006 1.00 0.00 C ATOM 267 O ASP A 19 0.500 -1.535 -10.825 1.00 0.00 O ATOM 268 CB ASP A 19 -1.236 -4.296 -12.076 1.00 0.00 C ATOM 269 CG ASP A 19 -1.955 -4.915 -13.249 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.833 -4.380 -14.371 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.645 -5.936 -13.046 1.00 0.00 O ATOM 0 H ASP A 19 1.010 -3.549 -13.059 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.642 -2.294 -12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.345 -4.881 -11.849 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.878 -4.338 -11.196 1.00 0.00 H new ATOM 276 N ARG A 20 -1.493 -2.295 -10.069 1.00 0.00 N ATOM 277 CA ARG A 20 -1.377 -1.718 -8.733 1.00 0.00 C ATOM 278 C ARG A 20 -2.032 -2.651 -7.708 1.00 0.00 C ATOM 279 O ARG A 20 -3.256 -2.782 -7.676 1.00 0.00 O ATOM 280 CB ARG A 20 -2.050 -0.347 -8.694 1.00 0.00 C ATOM 281 CG ARG A 20 -1.429 0.624 -7.706 1.00 0.00 C ATOM 282 CD ARG A 20 -0.666 1.731 -8.415 1.00 0.00 C ATOM 283 NE ARG A 20 -0.375 2.854 -7.525 1.00 0.00 N ATOM 284 CZ ARG A 20 0.230 3.974 -7.917 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.635 4.112 -9.173 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.432 4.956 -7.050 1.00 0.00 N ATOM 0 H ARG A 20 -2.360 -2.810 -10.221 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.322 -1.599 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.012 0.092 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.103 -0.479 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.210 1.060 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.755 0.085 -7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.268 1.331 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.248 2.085 -9.266 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.652 2.775 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.483 3.358 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.098 4.972 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.124 4.854 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.895 5.814 -7.350 1.00 0.00 H new ATOM 300 N VAL A 21 -1.218 -3.292 -6.870 1.00 0.00 N ATOM 301 CA VAL A 21 -1.727 -4.205 -5.841 1.00 0.00 C ATOM 302 C VAL A 21 -1.928 -3.494 -4.499 1.00 0.00 C ATOM 303 O VAL A 21 -1.516 -2.349 -4.327 1.00 0.00 O ATOM 304 CB VAL A 21 -0.765 -5.394 -5.625 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.564 -6.175 -6.916 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.572 -4.913 -5.083 1.00 0.00 C ATOM 0 H VAL A 21 -0.202 -3.197 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.689 -4.568 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.217 -6.061 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.117 -7.006 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.523 -6.560 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.142 -5.518 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.234 -5.767 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.024 -4.219 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.418 -4.408 -4.130 1.00 0.00 H new ATOM 316 N THR A 22 -2.522 -4.205 -3.536 1.00 0.00 N ATOM 317 CA THR A 22 -2.727 -3.668 -2.195 1.00 0.00 C ATOM 318 C THR A 22 -1.994 -4.552 -1.194 1.00 0.00 C ATOM 319 O THR A 22 -2.311 -5.733 -1.057 1.00 0.00 O ATOM 320 CB THR A 22 -4.212 -3.604 -1.845 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.903 -2.755 -2.743 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.471 -3.103 -0.439 1.00 0.00 C ATOM 0 H THR A 22 -2.869 -5.156 -3.664 1.00 0.00 H new ATOM 0 HA THR A 22 -2.334 -2.652 -2.158 1.00 0.00 H new ATOM 0 HB THR A 22 -4.574 -4.629 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.853 -2.729 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.545 -3.081 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.992 -3.769 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.063 -2.098 -0.330 1.00 0.00 H new ATOM 330 N ILE A 23 -0.985 -4.000 -0.532 1.00 0.00 N ATOM 331 CA ILE A 23 -0.196 -4.785 0.407 1.00 0.00 C ATOM 332 C ILE A 23 -0.031 -4.116 1.771 1.00 0.00 C ATOM 333 O ILE A 23 -0.031 -2.891 1.890 1.00 0.00 O ATOM 334 CB ILE A 23 1.213 -5.040 -0.158 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.858 -3.722 -0.571 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.164 -5.996 -1.337 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.366 -3.740 -0.489 1.00 0.00 C ATOM 0 H ILE A 23 -0.697 -3.026 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.748 -5.715 0.544 1.00 0.00 H new ATOM 0 HB ILE A 23 1.816 -5.501 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.560 -3.485 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.476 -2.924 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.173 -6.158 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.740 -6.947 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.544 -5.570 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.759 -2.771 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.672 -3.947 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.757 -4.516 -1.148 1.00 0.00 H new ATOM 349 N ASP A 24 0.168 -4.953 2.786 1.00 0.00 N ATOM 350 CA ASP A 24 0.405 -4.502 4.154 1.00 0.00 C ATOM 351 C ASP A 24 1.745 -5.079 4.609 1.00 0.00 C ATOM 352 O ASP A 24 1.954 -6.287 4.517 1.00 0.00 O ATOM 353 CB ASP A 24 -0.711 -4.983 5.093 1.00 0.00 C ATOM 354 CG ASP A 24 -1.002 -6.463 4.943 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.450 -6.870 3.850 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.784 -7.213 5.918 1.00 0.00 O ATOM 0 H ASP A 24 0.169 -5.968 2.682 1.00 0.00 H new ATOM 0 HA ASP A 24 0.418 -3.413 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.427 -4.775 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.620 -4.416 4.892 1.00 0.00 H new ATOM 361 N PHE A 25 2.668 -4.235 5.066 1.00 0.00 N ATOM 362 CA PHE A 25 3.980 -4.737 5.476 1.00 0.00 C ATOM 363 C PHE A 25 4.532 -4.033 6.708 1.00 0.00 C ATOM 364 O PHE A 25 4.036 -2.988 7.126 1.00 0.00 O ATOM 365 CB PHE A 25 4.979 -4.601 4.324 1.00 0.00 C ATOM 366 CG PHE A 25 5.399 -3.185 4.041 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.292 -2.532 4.879 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.883 -2.499 2.954 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.659 -1.220 4.633 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.242 -1.189 2.713 1.00 0.00 C ATOM 371 CZ PHE A 25 6.127 -0.549 3.550 1.00 0.00 C ATOM 0 H PHE A 25 2.540 -3.228 5.161 1.00 0.00 H new ATOM 0 HA PHE A 25 3.841 -5.786 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.865 -5.193 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.538 -5.025 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.704 -3.052 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.192 -2.995 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.360 -0.722 5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.827 -0.664 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.405 0.477 3.360 1.00 0.00 H new ATOM 381 N THR A 26 5.574 -4.631 7.278 1.00 0.00 N ATOM 382 CA THR A 26 6.229 -4.092 8.465 1.00 0.00 C ATOM 383 C THR A 26 7.725 -4.408 8.452 1.00 0.00 C ATOM 384 O THR A 26 8.118 -5.575 8.467 1.00 0.00 O ATOM 385 CB THR A 26 5.588 -4.671 9.728 1.00 0.00 C ATOM 386 OG1 THR A 26 4.175 -4.632 9.642 1.00 0.00 O ATOM 387 CG2 THR A 26 5.992 -3.944 10.993 1.00 0.00 C ATOM 0 H THR A 26 5.986 -5.498 6.932 1.00 0.00 H new ATOM 0 HA THR A 26 6.104 -3.009 8.461 1.00 0.00 H new ATOM 0 HB THR A 26 5.949 -5.698 9.787 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.787 -5.008 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.502 -4.406 11.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.073 -4.004 11.117 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.692 -2.898 10.923 1.00 0.00 H new ATOM 395 N GLY A 27 8.557 -3.367 8.420 1.00 0.00 N ATOM 396 CA GLY A 27 9.997 -3.575 8.402 1.00 0.00 C ATOM 397 C GLY A 27 10.787 -2.336 8.781 1.00 0.00 C ATOM 398 O GLY A 27 10.259 -1.228 8.788 1.00 0.00 O ATOM 0 H GLY A 27 8.262 -2.391 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.249 -4.383 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.298 -3.899 7.406 1.00 0.00 H new ATOM 402 N SER A 28 12.064 -2.534 9.103 1.00 0.00 N ATOM 403 CA SER A 28 12.948 -1.435 9.498 1.00 0.00 C ATOM 404 C SER A 28 13.991 -1.146 8.422 1.00 0.00 C ATOM 405 O SER A 28 14.162 -1.921 7.483 1.00 0.00 O ATOM 406 CB SER A 28 13.662 -1.789 10.803 1.00 0.00 C ATOM 407 OG SER A 28 12.955 -2.787 11.520 1.00 0.00 O ATOM 0 H SER A 28 12.513 -3.450 9.098 1.00 0.00 H new ATOM 0 HA SER A 28 12.334 -0.545 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.671 -2.140 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.762 -0.896 11.420 1.00 0.00 H new ATOM 0 HG SER A 28 13.434 -2.996 12.349 1.00 0.00 H new ATOM 413 N VAL A 29 14.695 -0.025 8.583 1.00 0.00 N ATOM 414 CA VAL A 29 15.735 0.372 7.643 1.00 0.00 C ATOM 415 C VAL A 29 17.125 0.035 8.193 1.00 0.00 C ATOM 416 O VAL A 29 17.703 -0.988 7.826 1.00 0.00 O ATOM 417 CB VAL A 29 15.626 1.880 7.261 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.345 2.761 8.474 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.871 2.361 6.515 1.00 0.00 C ATOM 0 H VAL A 29 14.561 0.623 9.359 1.00 0.00 H new ATOM 0 HA VAL A 29 15.586 -0.200 6.727 1.00 0.00 H new ATOM 0 HB VAL A 29 14.773 1.971 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.277 3.802 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.404 2.459 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.153 2.652 9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.760 3.416 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.748 2.229 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.993 1.782 5.600 1.00 0.00 H new ATOM 429 N ASP A 30 17.655 0.876 9.073 1.00 0.00 N ATOM 430 CA ASP A 30 18.965 0.634 9.660 1.00 0.00 C ATOM 431 C ASP A 30 18.826 -0.068 11.008 1.00 0.00 C ATOM 432 O ASP A 30 19.576 0.211 11.943 1.00 0.00 O ATOM 433 CB ASP A 30 19.721 1.953 9.831 1.00 0.00 C ATOM 434 CG ASP A 30 18.917 2.985 10.596 1.00 0.00 C ATOM 435 OD1 ASP A 30 18.450 2.666 11.711 1.00 0.00 O ATOM 436 OD2 ASP A 30 18.753 4.111 10.082 1.00 0.00 O ATOM 0 H ASP A 30 17.198 1.729 9.395 1.00 0.00 H new ATOM 0 HA ASP A 30 19.530 -0.012 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 30 20.659 1.766 10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.978 2.351 8.849 1.00 0.00 H new ATOM 441 N GLY A 31 17.853 -0.972 11.104 1.00 0.00 N ATOM 442 CA GLY A 31 17.629 -1.686 12.347 1.00 0.00 C ATOM 443 C GLY A 31 16.538 -1.049 13.188 1.00 0.00 C ATOM 444 O GLY A 31 16.163 -1.579 14.235 1.00 0.00 O ATOM 0 H GLY A 31 17.219 -1.221 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.359 -2.719 12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.556 -1.714 12.919 1.00 0.00 H new ATOM 448 N GLU A 32 16.024 0.090 12.727 1.00 0.00 N ATOM 449 CA GLU A 32 14.966 0.799 13.438 1.00 0.00 C ATOM 450 C GLU A 32 13.881 1.239 12.462 1.00 0.00 C ATOM 451 O GLU A 32 14.106 2.103 11.613 1.00 0.00 O ATOM 452 CB GLU A 32 15.538 2.011 14.178 1.00 0.00 C ATOM 453 CG GLU A 32 16.735 1.683 15.057 1.00 0.00 C ATOM 454 CD GLU A 32 16.342 1.402 16.494 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.466 2.119 17.023 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.908 0.462 17.092 1.00 0.00 O ATOM 0 H GLU A 32 16.325 0.541 11.863 1.00 0.00 H new ATOM 0 HA GLU A 32 14.526 0.123 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.831 2.766 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.755 2.451 14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.254 0.815 14.650 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.438 2.515 15.032 1.00 0.00 H new ATOM 463 N GLU A 33 12.706 0.630 12.583 1.00 0.00 N ATOM 464 CA GLU A 33 11.587 0.936 11.710 1.00 0.00 C ATOM 465 C GLU A 33 11.253 2.410 11.770 1.00 0.00 C ATOM 466 O GLU A 33 10.911 2.943 12.824 1.00 0.00 O ATOM 467 CB GLU A 33 10.365 0.103 12.096 1.00 0.00 C ATOM 468 CG GLU A 33 10.037 0.145 13.579 1.00 0.00 C ATOM 469 CD GLU A 33 9.685 -1.220 14.137 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.609 -1.746 13.782 1.00 0.00 O ATOM 471 OE2 GLU A 33 10.485 -1.763 14.927 1.00 0.00 O ATOM 0 H GLU A 33 12.507 -0.083 13.284 1.00 0.00 H new ATOM 0 HA GLU A 33 11.872 0.686 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.502 0.458 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.535 -0.932 11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.890 0.548 14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.203 0.827 13.744 1.00 0.00 H new ATOM 478 N PHE A 34 11.388 3.069 10.631 1.00 0.00 N ATOM 479 CA PHE A 34 11.142 4.507 10.521 1.00 0.00 C ATOM 480 C PHE A 34 9.659 4.829 10.346 1.00 0.00 C ATOM 481 O PHE A 34 8.803 4.244 11.011 1.00 0.00 O ATOM 482 CB PHE A 34 11.990 5.074 9.360 1.00 0.00 C ATOM 483 CG PHE A 34 11.542 4.666 7.970 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.491 3.332 7.591 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.179 5.631 7.039 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.085 2.971 6.321 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.772 5.273 5.768 1.00 0.00 C ATOM 488 CZ PHE A 34 10.723 3.942 5.409 1.00 0.00 C ATOM 0 H PHE A 34 11.670 2.628 9.756 1.00 0.00 H new ATOM 0 HA PHE A 34 11.442 4.985 11.454 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.980 6.162 9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.024 4.757 9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.772 2.566 8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.215 6.675 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.051 1.928 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.492 6.035 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.402 3.660 4.417 1.00 0.00 H new ATOM 498 N GLU A 35 9.362 5.741 9.439 1.00 0.00 N ATOM 499 CA GLU A 35 7.986 6.137 9.148 1.00 0.00 C ATOM 500 C GLU A 35 7.239 5.010 8.440 1.00 0.00 C ATOM 501 O GLU A 35 6.195 4.554 8.903 1.00 0.00 O ATOM 502 CB GLU A 35 7.971 7.393 8.272 1.00 0.00 C ATOM 503 CG GLU A 35 7.861 8.687 9.061 1.00 0.00 C ATOM 504 CD GLU A 35 6.480 8.891 9.652 1.00 0.00 C ATOM 505 OE1 GLU A 35 5.488 8.758 8.904 1.00 0.00 O ATOM 506 OE2 GLU A 35 6.391 9.185 10.862 1.00 0.00 O ATOM 0 H GLU A 35 10.062 6.230 8.881 1.00 0.00 H new ATOM 0 HA GLU A 35 7.486 6.351 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.882 7.419 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.134 7.330 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.599 8.684 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.102 9.527 8.410 1.00 0.00 H new ATOM 513 N GLY A 36 7.791 4.565 7.311 1.00 0.00 N ATOM 514 CA GLY A 36 7.174 3.493 6.549 1.00 0.00 C ATOM 515 C GLY A 36 7.474 2.121 7.112 1.00 0.00 C ATOM 516 O GLY A 36 7.247 1.111 6.449 1.00 0.00 O ATOM 0 H GLY A 36 8.656 4.930 6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.095 3.644 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.522 3.541 5.517 1.00 0.00 H new ATOM 520 N GLY A 37 7.980 2.077 8.342 1.00 0.00 N ATOM 521 CA GLY A 37 8.292 0.809 8.963 1.00 0.00 C ATOM 522 C GLY A 37 7.073 -0.079 9.128 1.00 0.00 C ATOM 523 O GLY A 37 7.198 -1.260 9.453 1.00 0.00 O ATOM 0 H GLY A 37 8.178 2.897 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.037 0.288 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.740 0.988 9.940 1.00 0.00 H new ATOM 527 N LYS A 38 5.892 0.485 8.892 1.00 0.00 N ATOM 528 CA LYS A 38 4.649 -0.263 9.004 1.00 0.00 C ATOM 529 C LYS A 38 3.620 0.265 8.016 1.00 0.00 C ATOM 530 O LYS A 38 3.300 1.454 8.005 1.00 0.00 O ATOM 531 CB LYS A 38 4.090 -0.183 10.422 1.00 0.00 C ATOM 532 CG LYS A 38 5.112 -0.483 11.504 1.00 0.00 C ATOM 533 CD LYS A 38 4.579 -0.133 12.882 1.00 0.00 C ATOM 534 CE LYS A 38 4.292 1.355 13.003 1.00 0.00 C ATOM 535 NZ LYS A 38 3.456 1.667 14.196 1.00 0.00 N ATOM 0 H LYS A 38 5.772 1.461 8.621 1.00 0.00 H new ATOM 0 HA LYS A 38 4.864 -1.306 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.684 0.815 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.260 -0.884 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.378 -1.540 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.025 0.081 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.667 -0.698 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.304 -0.428 13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.233 1.902 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.783 1.700 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.284 2.692 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.547 1.166 14.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.952 1.361 15.057 1.00 0.00 H new ATOM 549 N ALA A 39 3.103 -0.632 7.195 1.00 0.00 N ATOM 550 CA ALA A 39 2.102 -0.281 6.200 1.00 0.00 C ATOM 551 C ALA A 39 0.987 -1.315 6.182 1.00 0.00 C ATOM 552 O ALA A 39 1.227 -2.505 6.386 1.00 0.00 O ATOM 553 CB ALA A 39 2.736 -0.157 4.820 1.00 0.00 C ATOM 0 H ALA A 39 3.362 -1.618 7.198 1.00 0.00 H new ATOM 0 HA ALA A 39 1.675 0.685 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.970 0.106 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.501 0.619 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.191 -1.108 4.542 1.00 0.00 H new ATOM 559 N SER A 40 -0.234 -0.858 5.940 1.00 0.00 N ATOM 560 CA SER A 40 -1.382 -1.751 5.903 1.00 0.00 C ATOM 561 C SER A 40 -2.001 -1.782 4.514 1.00 0.00 C ATOM 562 O SER A 40 -2.000 -2.813 3.844 1.00 0.00 O ATOM 563 CB SER A 40 -2.429 -1.316 6.930 1.00 0.00 C ATOM 564 OG SER A 40 -1.824 -0.991 8.170 1.00 0.00 O ATOM 0 H SER A 40 -0.454 0.123 5.767 1.00 0.00 H new ATOM 0 HA SER A 40 -1.036 -2.755 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.977 -0.453 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.155 -2.116 7.075 1.00 0.00 H new ATOM 0 HG SER A 40 -2.514 -0.715 8.808 1.00 0.00 H new ATOM 570 N ASP A 41 -2.480 -0.638 4.058 1.00 0.00 N ATOM 571 CA ASP A 41 -3.040 -0.508 2.729 1.00 0.00 C ATOM 572 C ASP A 41 -2.019 0.174 1.839 1.00 0.00 C ATOM 573 O ASP A 41 -2.205 1.328 1.447 1.00 0.00 O ATOM 574 CB ASP A 41 -4.342 0.296 2.766 1.00 0.00 C ATOM 575 CG ASP A 41 -4.208 1.578 3.566 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.085 2.117 3.639 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.227 2.043 4.120 1.00 0.00 O ATOM 0 H ASP A 41 -2.491 0.226 4.600 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.274 -1.496 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.646 0.537 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.133 -0.318 3.198 1.00 0.00 H new ATOM 582 N PHE A 42 -0.945 -0.520 1.516 1.00 0.00 N ATOM 583 CA PHE A 42 0.088 0.059 0.667 1.00 0.00 C ATOM 584 C PHE A 42 -0.177 -0.283 -0.790 1.00 0.00 C ATOM 585 O PHE A 42 0.001 -1.427 -1.214 1.00 0.00 O ATOM 586 CB PHE A 42 1.485 -0.416 1.083 1.00 0.00 C ATOM 587 CG PHE A 42 2.602 0.268 0.334 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.500 1.606 -0.017 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.753 -0.424 -0.020 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.519 2.238 -0.702 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.774 0.205 -0.708 1.00 0.00 C ATOM 592 CZ PHE A 42 4.657 1.536 -1.048 1.00 0.00 C ATOM 0 H PHE A 42 -0.762 -1.475 1.823 1.00 0.00 H new ATOM 0 HA PHE A 42 0.056 1.142 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.616 -0.243 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.557 -1.492 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.612 2.161 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.852 -1.466 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.426 3.281 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.663 -0.346 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.454 2.029 -1.584 1.00 0.00 H new ATOM 602 N VAL A 43 -0.606 0.712 -1.549 1.00 0.00 N ATOM 603 CA VAL A 43 -0.905 0.528 -2.955 1.00 0.00 C ATOM 604 C VAL A 43 0.370 0.561 -3.794 1.00 0.00 C ATOM 605 O VAL A 43 0.912 1.626 -4.088 1.00 0.00 O ATOM 606 CB VAL A 43 -1.893 1.606 -3.434 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.259 2.991 -3.403 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.421 1.277 -4.820 1.00 0.00 C ATOM 0 H VAL A 43 -0.755 1.662 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.366 -0.452 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.737 1.616 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.982 3.730 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.954 3.229 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.386 3.006 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.118 2.053 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.590 1.225 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.935 0.316 -4.795 1.00 0.00 H new ATOM 618 N LEU A 44 0.852 -0.621 -4.165 1.00 0.00 N ATOM 619 CA LEU A 44 2.066 -0.736 -4.958 1.00 0.00 C ATOM 620 C LEU A 44 1.745 -0.768 -6.445 1.00 0.00 C ATOM 621 O LEU A 44 0.839 -1.477 -6.876 1.00 0.00 O ATOM 622 CB LEU A 44 2.830 -2.001 -4.569 1.00 0.00 C ATOM 623 CG LEU A 44 4.288 -1.784 -4.165 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.985 -3.118 -3.993 1.00 0.00 C ATOM 625 CD2 LEU A 44 5.023 -0.938 -5.197 1.00 0.00 C ATOM 0 H LEU A 44 0.418 -1.513 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 44 2.685 0.138 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.308 -2.481 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.802 -2.695 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 44 4.301 -1.248 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.023 -2.952 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.481 -3.694 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.953 -3.669 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.058 -0.800 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.001 -1.442 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.537 0.034 -5.283 1.00 0.00 H new ATOM 637 N ALA A 45 2.503 -0.007 -7.223 1.00 0.00 N ATOM 638 CA ALA A 45 2.310 0.045 -8.665 1.00 0.00 C ATOM 639 C ALA A 45 3.274 -0.892 -9.384 1.00 0.00 C ATOM 640 O ALA A 45 4.462 -0.597 -9.511 1.00 0.00 O ATOM 641 CB ALA A 45 2.494 1.466 -9.168 1.00 0.00 C ATOM 0 H ALA A 45 3.259 0.584 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 45 1.293 -0.283 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.347 1.492 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.766 2.119 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.501 1.808 -8.931 1.00 0.00 H new ATOM 647 N MET A 46 2.759 -2.023 -9.851 1.00 0.00 N ATOM 648 CA MET A 46 3.573 -3.000 -10.555 1.00 0.00 C ATOM 649 C MET A 46 4.093 -2.455 -11.877 1.00 0.00 C ATOM 650 O MET A 46 3.503 -2.691 -12.929 1.00 0.00 O ATOM 651 CB MET A 46 2.766 -4.271 -10.801 1.00 0.00 C ATOM 652 CG MET A 46 3.364 -5.483 -10.124 1.00 0.00 C ATOM 653 SD MET A 46 5.064 -5.787 -10.633 1.00 0.00 S ATOM 654 CE MET A 46 5.771 -6.296 -9.074 1.00 0.00 C ATOM 0 H MET A 46 1.778 -2.285 -9.753 1.00 0.00 H new ATOM 0 HA MET A 46 4.434 -3.227 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.747 -4.125 -10.441 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.702 -4.454 -11.874 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.331 -5.345 -9.043 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.757 -6.359 -10.352 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.598 -6.982 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.137 -5.421 -8.537 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.010 -6.797 -8.475 1.00 0.00 H new ATOM 664 N GLY A 47 5.209 -1.738 -11.816 1.00 0.00 N ATOM 665 CA GLY A 47 5.803 -1.183 -13.017 1.00 0.00 C ATOM 666 C GLY A 47 5.298 0.210 -13.341 1.00 0.00 C ATOM 667 O GLY A 47 4.644 0.420 -14.363 1.00 0.00 O ATOM 0 H GLY A 47 5.714 -1.531 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.886 -1.152 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.593 -1.844 -13.858 1.00 0.00 H new ATOM 671 N GLN A 48 5.612 1.164 -12.474 1.00 0.00 N ATOM 672 CA GLN A 48 5.198 2.548 -12.677 1.00 0.00 C ATOM 673 C GLN A 48 6.416 3.460 -12.710 1.00 0.00 C ATOM 674 O GLN A 48 6.707 4.092 -13.726 1.00 0.00 O ATOM 675 CB GLN A 48 4.245 2.991 -11.566 1.00 0.00 C ATOM 676 CG GLN A 48 3.425 4.221 -11.925 1.00 0.00 C ATOM 677 CD GLN A 48 3.619 5.359 -10.945 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.657 5.872 -10.372 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.868 5.762 -10.745 1.00 0.00 N ATOM 0 H GLN A 48 6.152 1.006 -11.623 1.00 0.00 H new ATOM 0 HA GLN A 48 4.677 2.616 -13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.569 2.170 -11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.822 3.199 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.700 4.557 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.369 3.952 -11.959 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.636 5.309 -11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.060 6.525 -10.095 1.00 0.00 H new ATOM 688 N GLY A 49 7.133 3.509 -11.595 1.00 0.00 N ATOM 689 CA GLY A 49 8.323 4.330 -11.512 1.00 0.00 C ATOM 690 C GLY A 49 9.582 3.518 -11.734 1.00 0.00 C ATOM 691 O GLY A 49 10.395 3.843 -12.599 1.00 0.00 O ATOM 0 H GLY A 49 6.910 2.993 -10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.268 5.126 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.367 4.809 -10.534 1.00 0.00 H new ATOM 695 N ARG A 50 9.735 2.451 -10.952 1.00 0.00 N ATOM 696 CA ARG A 50 10.896 1.573 -11.062 1.00 0.00 C ATOM 697 C ARG A 50 10.855 0.480 -10.000 1.00 0.00 C ATOM 698 O ARG A 50 11.687 0.450 -9.092 1.00 0.00 O ATOM 699 CB ARG A 50 12.190 2.375 -10.930 1.00 0.00 C ATOM 700 CG ARG A 50 12.328 3.100 -9.601 1.00 0.00 C ATOM 701 CD ARG A 50 13.777 3.135 -9.133 1.00 0.00 C ATOM 702 NE ARG A 50 14.711 3.208 -10.255 1.00 0.00 N ATOM 703 CZ ARG A 50 14.785 4.240 -11.090 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.028 5.315 -10.899 1.00 0.00 N ATOM 705 NH2 ARG A 50 15.634 4.209 -12.108 1.00 0.00 N ATOM 0 H ARG A 50 9.066 2.174 -10.233 1.00 0.00 H new ATOM 0 HA ARG A 50 10.868 1.104 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.038 1.702 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.239 3.105 -11.738 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.952 4.118 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.713 2.605 -8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.927 3.995 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.989 2.244 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 50 15.343 2.422 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.385 5.352 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.090 6.103 -11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.230 3.394 -12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.691 5.001 -12.749 1.00 0.00 H new ATOM 719 N MET A 51 9.888 -0.424 -10.118 1.00 0.00 N ATOM 720 CA MET A 51 9.747 -1.519 -9.163 1.00 0.00 C ATOM 721 C MET A 51 11.085 -2.212 -8.927 1.00 0.00 C ATOM 722 O MET A 51 11.593 -2.917 -9.799 1.00 0.00 O ATOM 723 CB MET A 51 8.718 -2.535 -9.661 1.00 0.00 C ATOM 724 CG MET A 51 7.949 -3.219 -8.542 1.00 0.00 C ATOM 725 SD MET A 51 6.338 -2.467 -8.249 1.00 0.00 S ATOM 726 CE MET A 51 6.818 -0.783 -7.868 1.00 0.00 C ATOM 0 H MET A 51 9.192 -0.421 -10.863 1.00 0.00 H new ATOM 0 HA MET A 51 9.402 -1.097 -8.219 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.012 -2.031 -10.321 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.227 -3.293 -10.257 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.815 -4.272 -8.789 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.537 -3.179 -7.625 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.929 -0.193 -7.645 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.482 -0.781 -7.003 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.336 -0.350 -8.724 1.00 0.00 H new ATOM 736 N ILE A 52 11.643 -2.017 -7.739 1.00 0.00 N ATOM 737 CA ILE A 52 12.917 -2.636 -7.384 1.00 0.00 C ATOM 738 C ILE A 52 12.755 -4.144 -7.234 1.00 0.00 C ATOM 739 O ILE A 52 11.643 -4.639 -7.048 1.00 0.00 O ATOM 740 CB ILE A 52 13.512 -2.060 -6.074 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.411 -1.580 -5.123 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.475 -0.924 -6.383 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.912 -1.257 -3.732 1.00 0.00 C ATOM 0 H ILE A 52 11.236 -1.437 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 52 13.607 -2.411 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 52 14.058 -2.861 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.939 -0.693 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.641 -2.349 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.884 -0.530 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.287 -1.295 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.945 -0.131 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.079 -0.924 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.358 -2.148 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.660 -0.466 -3.789 1.00 0.00 H new ATOM 755 N PRO A 53 13.864 -4.901 -7.298 1.00 0.00 N ATOM 756 CA PRO A 53 13.822 -6.357 -7.151 1.00 0.00 C ATOM 757 C PRO A 53 13.128 -6.768 -5.860 1.00 0.00 C ATOM 758 O PRO A 53 12.620 -7.881 -5.738 1.00 0.00 O ATOM 759 CB PRO A 53 15.298 -6.762 -7.118 1.00 0.00 C ATOM 760 CG PRO A 53 16.014 -5.651 -7.806 1.00 0.00 C ATOM 761 CD PRO A 53 15.235 -4.402 -7.499 1.00 0.00 C ATOM 0 HA PRO A 53 13.262 -6.837 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.651 -6.886 -6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.459 -7.712 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.040 -5.568 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.064 -5.825 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.615 -3.899 -6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.286 -3.684 -8.318 1.00 0.00 H new ATOM 769 N GLY A 54 13.111 -5.852 -4.896 1.00 0.00 N ATOM 770 CA GLY A 54 12.478 -6.120 -3.623 1.00 0.00 C ATOM 771 C GLY A 54 10.974 -6.247 -3.736 1.00 0.00 C ATOM 772 O GLY A 54 10.416 -7.318 -3.494 1.00 0.00 O ATOM 0 H GLY A 54 13.528 -4.925 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.886 -7.040 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.720 -5.318 -2.925 1.00 0.00 H new ATOM 776 N PHE A 55 10.313 -5.157 -4.109 1.00 0.00 N ATOM 777 CA PHE A 55 8.872 -5.160 -4.254 1.00 0.00 C ATOM 778 C PHE A 55 8.466 -5.986 -5.465 1.00 0.00 C ATOM 779 O PHE A 55 7.539 -6.793 -5.402 1.00 0.00 O ATOM 780 CB PHE A 55 8.339 -3.733 -4.421 1.00 0.00 C ATOM 781 CG PHE A 55 8.332 -2.898 -3.164 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.420 -3.134 -2.140 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.231 -1.854 -3.021 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.410 -2.347 -1.008 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.226 -1.065 -1.887 1.00 0.00 C ATOM 786 CZ PHE A 55 8.314 -1.312 -0.882 1.00 0.00 C ATOM 0 H PHE A 55 10.757 -4.262 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 55 8.446 -5.598 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.941 -3.223 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.322 -3.785 -4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.711 -3.944 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.945 -1.654 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.696 -2.540 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.935 -0.256 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.307 -0.695 0.004 1.00 0.00 H new ATOM 796 N GLU A 56 9.169 -5.768 -6.571 1.00 0.00 N ATOM 797 CA GLU A 56 8.889 -6.481 -7.806 1.00 0.00 C ATOM 798 C GLU A 56 8.884 -7.988 -7.585 1.00 0.00 C ATOM 799 O GLU A 56 8.267 -8.730 -8.344 1.00 0.00 O ATOM 800 CB GLU A 56 9.912 -6.114 -8.881 1.00 0.00 C ATOM 801 CG GLU A 56 9.605 -6.723 -10.240 1.00 0.00 C ATOM 802 CD GLU A 56 9.368 -5.676 -11.311 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.360 -5.144 -11.851 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.189 -5.390 -11.611 1.00 0.00 O ATOM 0 H GLU A 56 9.938 -5.101 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 56 7.897 -6.182 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.953 -5.029 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.900 -6.442 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.433 -7.364 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.723 -7.359 -10.158 1.00 0.00 H new ATOM 811 N ASP A 57 9.580 -8.437 -6.543 1.00 0.00 N ATOM 812 CA ASP A 57 9.654 -9.857 -6.231 1.00 0.00 C ATOM 813 C ASP A 57 8.410 -10.333 -5.481 1.00 0.00 C ATOM 814 O ASP A 57 7.568 -11.032 -6.043 1.00 0.00 O ATOM 815 CB ASP A 57 10.911 -10.155 -5.408 1.00 0.00 C ATOM 816 CG ASP A 57 11.032 -11.622 -5.038 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.558 -12.473 -5.820 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.603 -11.919 -3.968 1.00 0.00 O ATOM 0 H ASP A 57 10.099 -7.836 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 57 9.705 -10.401 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.792 -9.853 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.896 -9.555 -4.498 1.00 0.00 H new ATOM 823 N GLY A 58 8.313 -9.971 -4.202 1.00 0.00 N ATOM 824 CA GLY A 58 7.184 -10.394 -3.392 1.00 0.00 C ATOM 825 C GLY A 58 5.871 -9.840 -3.888 1.00 0.00 C ATOM 826 O GLY A 58 4.958 -10.593 -4.232 1.00 0.00 O ATOM 0 H GLY A 58 8.997 -9.392 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.135 -11.483 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.342 -10.076 -2.362 1.00 0.00 H new ATOM 830 N ILE A 59 5.777 -8.522 -3.932 1.00 0.00 N ATOM 831 CA ILE A 59 4.591 -7.835 -4.390 1.00 0.00 C ATOM 832 C ILE A 59 4.472 -7.907 -5.898 1.00 0.00 C ATOM 833 O ILE A 59 4.019 -6.973 -6.559 1.00 0.00 O ATOM 834 CB ILE A 59 4.630 -6.372 -3.924 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.022 -6.311 -2.447 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.287 -5.699 -4.153 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.512 -6.311 -2.210 1.00 0.00 C ATOM 0 H ILE A 59 6.531 -7.897 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 59 3.716 -8.325 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 59 5.377 -5.835 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.593 -5.412 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.581 -7.163 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.337 -4.664 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.044 -5.724 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.515 -6.226 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.710 -6.266 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.946 -7.222 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.958 -5.444 -2.698 1.00 0.00 H new ATOM 849 N LYS A 60 4.815 -9.077 -6.403 1.00 0.00 N ATOM 850 CA LYS A 60 4.677 -9.354 -7.820 1.00 0.00 C ATOM 851 C LYS A 60 3.245 -8.979 -8.187 1.00 0.00 C ATOM 852 O LYS A 60 2.982 -8.241 -9.135 1.00 0.00 O ATOM 853 CB LYS A 60 4.928 -10.836 -8.119 1.00 0.00 C ATOM 854 CG LYS A 60 6.362 -11.148 -8.511 1.00 0.00 C ATOM 855 CD LYS A 60 6.509 -11.299 -10.019 1.00 0.00 C ATOM 856 CE LYS A 60 7.391 -12.484 -10.376 1.00 0.00 C ATOM 857 NZ LYS A 60 6.931 -13.738 -9.715 1.00 0.00 N ATOM 0 H LYS A 60 5.191 -9.850 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 60 5.405 -8.786 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.665 -11.424 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.264 -11.152 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.018 -10.352 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.683 -12.066 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.525 -11.427 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.936 -10.387 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.392 -12.623 -11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.419 -12.274 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.359 -14.558 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.218 -13.729 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.895 -13.803 -9.777 1.00 0.00 H new ATOM 871 N GLY A 61 2.336 -9.557 -7.412 1.00 0.00 N ATOM 872 CA GLY A 61 0.918 -9.376 -7.606 1.00 0.00 C ATOM 873 C GLY A 61 0.304 -10.653 -8.120 1.00 0.00 C ATOM 874 O GLY A 61 -0.596 -10.647 -8.959 1.00 0.00 O ATOM 0 H GLY A 61 2.572 -10.167 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.447 -9.088 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.739 -8.566 -8.313 1.00 0.00 H new ATOM 878 N HIS A 62 0.821 -11.760 -7.606 1.00 0.00 N ATOM 879 CA HIS A 62 0.355 -13.085 -8.012 1.00 0.00 C ATOM 880 C HIS A 62 -0.104 -13.919 -6.818 1.00 0.00 C ATOM 881 O HIS A 62 -0.248 -15.136 -6.922 1.00 0.00 O ATOM 882 CB HIS A 62 1.460 -13.826 -8.768 1.00 0.00 C ATOM 883 CG HIS A 62 2.725 -13.994 -7.981 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.851 -14.607 -8.489 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.041 -13.626 -6.716 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.802 -14.611 -7.573 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.337 -14.020 -6.488 1.00 0.00 N ATOM 0 H HIS A 62 1.564 -11.770 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.504 -12.941 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.091 -14.809 -9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.684 -13.285 -9.687 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.394 -13.117 -6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.792 -15.027 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.856 -13.879 -5.621 1.00 0.00 H new ATOM 895 N LYS A 63 -0.345 -13.259 -5.693 1.00 0.00 N ATOM 896 CA LYS A 63 -0.802 -13.940 -4.487 1.00 0.00 C ATOM 897 C LYS A 63 -1.745 -13.046 -3.685 1.00 0.00 C ATOM 898 O LYS A 63 -1.353 -12.455 -2.679 1.00 0.00 O ATOM 899 CB LYS A 63 0.387 -14.350 -3.612 1.00 0.00 C ATOM 900 CG LYS A 63 1.443 -15.172 -4.330 1.00 0.00 C ATOM 901 CD LYS A 63 1.983 -16.275 -3.433 1.00 0.00 C ATOM 902 CE LYS A 63 2.731 -17.333 -4.227 1.00 0.00 C ATOM 903 NZ LYS A 63 2.211 -18.700 -3.950 1.00 0.00 N ATOM 0 H LYS A 63 -0.232 -12.251 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.341 -14.836 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.855 -13.450 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.016 -14.922 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.016 -15.610 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.260 -14.524 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.649 -15.843 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.158 -16.741 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.642 -17.119 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.792 -17.290 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.746 -19.395 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.319 -18.914 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.205 -18.748 -4.209 1.00 0.00 H new ATOM 917 N ALA A 64 -2.996 -12.966 -4.128 1.00 0.00 N ATOM 918 CA ALA A 64 -3.999 -12.161 -3.445 1.00 0.00 C ATOM 919 C ALA A 64 -4.209 -12.626 -2.002 1.00 0.00 C ATOM 920 O ALA A 64 -4.956 -13.570 -1.750 1.00 0.00 O ATOM 921 CB ALA A 64 -5.314 -12.206 -4.210 1.00 0.00 C ATOM 0 H ALA A 64 -3.338 -13.450 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.637 -11.133 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.058 -11.601 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.164 -11.813 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.664 -13.236 -4.272 1.00 0.00 H new ATOM 927 N GLY A 65 -3.558 -11.950 -1.057 1.00 0.00 N ATOM 928 CA GLY A 65 -3.705 -12.308 0.348 1.00 0.00 C ATOM 929 C GLY A 65 -2.576 -13.184 0.859 1.00 0.00 C ATOM 930 O GLY A 65 -2.795 -14.070 1.685 1.00 0.00 O ATOM 0 H GLY A 65 -2.934 -11.164 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.750 -11.398 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.653 -12.828 0.487 1.00 0.00 H new ATOM 934 N GLU A 66 -1.368 -12.930 0.374 1.00 0.00 N ATOM 935 CA GLU A 66 -0.196 -13.694 0.791 1.00 0.00 C ATOM 936 C GLU A 66 0.607 -12.943 1.846 1.00 0.00 C ATOM 937 O GLU A 66 0.456 -11.736 2.002 1.00 0.00 O ATOM 938 CB GLU A 66 0.689 -13.997 -0.411 1.00 0.00 C ATOM 939 CG GLU A 66 1.550 -15.238 -0.241 1.00 0.00 C ATOM 940 CD GLU A 66 3.031 -14.950 -0.388 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.418 -14.326 -1.400 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.804 -15.344 0.510 1.00 0.00 O ATOM 0 H GLU A 66 -1.172 -12.199 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.545 -14.629 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.059 -14.121 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.336 -13.140 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.365 -15.671 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.254 -15.984 -0.979 1.00 0.00 H new ATOM 949 N GLU A 67 1.483 -13.665 2.541 1.00 0.00 N ATOM 950 CA GLU A 67 2.340 -13.067 3.559 1.00 0.00 C ATOM 951 C GLU A 67 3.796 -13.441 3.294 1.00 0.00 C ATOM 952 O GLU A 67 4.203 -14.581 3.510 1.00 0.00 O ATOM 953 CB GLU A 67 1.924 -13.522 4.958 1.00 0.00 C ATOM 954 CG GLU A 67 2.439 -12.615 6.064 1.00 0.00 C ATOM 955 CD GLU A 67 3.000 -13.388 7.241 1.00 0.00 C ATOM 956 OE1 GLU A 67 4.078 -14.001 7.089 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.361 -13.382 8.314 1.00 0.00 O ATOM 0 H GLU A 67 1.617 -14.668 2.416 1.00 0.00 H new ATOM 0 HA GLU A 67 2.233 -11.983 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.836 -13.565 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.291 -14.534 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.213 -11.962 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.628 -11.973 6.409 1.00 0.00 H new ATOM 964 N PHE A 68 4.567 -12.480 2.793 1.00 0.00 N ATOM 965 CA PHE A 68 5.969 -12.714 2.462 1.00 0.00 C ATOM 966 C PHE A 68 6.858 -11.573 2.946 1.00 0.00 C ATOM 967 O PHE A 68 6.376 -10.507 3.311 1.00 0.00 O ATOM 968 CB PHE A 68 6.122 -12.868 0.959 1.00 0.00 C ATOM 969 CG PHE A 68 5.511 -11.728 0.215 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.246 -10.587 -0.041 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.200 -11.792 -0.210 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.677 -9.525 -0.717 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.626 -10.738 -0.883 1.00 0.00 C ATOM 974 CZ PHE A 68 4.363 -9.602 -1.139 1.00 0.00 C ATOM 0 H PHE A 68 4.244 -11.531 2.607 1.00 0.00 H new ATOM 0 HA PHE A 68 6.283 -13.628 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.180 -12.939 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.655 -13.800 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.272 -10.525 0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.618 -12.680 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.258 -8.636 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.599 -10.801 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.915 -8.774 -1.668 1.00 0.00 H new ATOM 984 N THR A 69 8.163 -11.804 2.937 1.00 0.00 N ATOM 985 CA THR A 69 9.119 -10.790 3.364 1.00 0.00 C ATOM 986 C THR A 69 10.184 -10.578 2.297 1.00 0.00 C ATOM 987 O THR A 69 10.790 -11.537 1.821 1.00 0.00 O ATOM 988 CB THR A 69 9.774 -11.202 4.686 1.00 0.00 C ATOM 989 OG1 THR A 69 8.798 -11.361 5.701 1.00 0.00 O ATOM 990 CG2 THR A 69 10.798 -10.206 5.187 1.00 0.00 C ATOM 0 H THR A 69 8.585 -12.684 2.639 1.00 0.00 H new ATOM 0 HA THR A 69 8.584 -9.852 3.513 1.00 0.00 H new ATOM 0 HB THR A 69 10.282 -12.143 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.236 -11.626 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.222 -10.561 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.592 -10.098 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.318 -9.240 5.347 1.00 0.00 H new ATOM 998 N ILE A 70 10.418 -9.321 1.923 1.00 0.00 N ATOM 999 CA ILE A 70 11.421 -9.024 0.913 1.00 0.00 C ATOM 1000 C ILE A 70 12.293 -7.856 1.334 1.00 0.00 C ATOM 1001 O ILE A 70 11.971 -7.131 2.274 1.00 0.00 O ATOM 1002 CB ILE A 70 10.784 -8.714 -0.461 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.017 -7.386 -0.426 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.872 -9.854 -0.896 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.749 -7.425 0.397 1.00 0.00 C ATOM 0 H ILE A 70 9.933 -8.506 2.300 1.00 0.00 H new ATOM 0 HA ILE A 70 12.036 -9.918 0.816 1.00 0.00 H new ATOM 0 HB ILE A 70 11.586 -8.617 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.672 -6.611 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.766 -7.097 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.432 -9.619 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.451 -10.774 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.079 -9.986 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.267 -6.448 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.072 -8.175 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.992 -7.681 1.428 1.00 0.00 H new ATOM 1017 N ASP A 71 13.378 -7.660 0.605 1.00 0.00 N ATOM 1018 CA ASP A 71 14.280 -6.557 0.872 1.00 0.00 C ATOM 1019 C ASP A 71 13.871 -5.380 0.007 1.00 0.00 C ATOM 1020 O ASP A 71 13.397 -5.573 -1.108 1.00 0.00 O ATOM 1021 CB ASP A 71 15.725 -6.960 0.572 1.00 0.00 C ATOM 1022 CG ASP A 71 15.896 -7.498 -0.835 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.388 -8.606 -1.112 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.538 -6.814 -1.659 1.00 0.00 O ATOM 0 H ASP A 71 13.655 -8.253 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 71 14.222 -6.282 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.376 -6.096 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.044 -7.717 1.289 1.00 0.00 H new ATOM 1029 N VAL A 72 14.053 -4.168 0.501 1.00 0.00 N ATOM 1030 CA VAL A 72 13.692 -2.990 -0.277 1.00 0.00 C ATOM 1031 C VAL A 72 14.645 -1.840 -0.009 1.00 0.00 C ATOM 1032 O VAL A 72 14.892 -1.477 1.138 1.00 0.00 O ATOM 1033 CB VAL A 72 12.253 -2.522 0.010 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.262 -3.304 -0.838 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.926 -2.648 1.489 1.00 0.00 C ATOM 0 H VAL A 72 14.442 -3.972 1.423 1.00 0.00 H new ATOM 0 HA VAL A 72 13.760 -3.286 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 72 12.174 -1.468 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.250 -2.961 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.482 -3.146 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.343 -4.366 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.904 -2.311 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.023 -3.689 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.616 -2.034 2.068 1.00 0.00 H new ATOM 1045 N THR A 73 15.160 -1.254 -1.078 1.00 0.00 N ATOM 1046 CA THR A 73 16.072 -0.125 -0.978 1.00 0.00 C ATOM 1047 C THR A 73 15.878 0.759 -2.198 1.00 0.00 C ATOM 1048 O THR A 73 16.009 0.300 -3.332 1.00 0.00 O ATOM 1049 CB THR A 73 17.525 -0.603 -0.894 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.791 -1.179 0.373 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.533 0.507 -1.115 1.00 0.00 C ATOM 0 H THR A 73 14.959 -1.545 -2.035 1.00 0.00 H new ATOM 0 HA THR A 73 15.856 0.438 -0.070 1.00 0.00 H new ATOM 0 HB THR A 73 17.635 -1.337 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.956 -1.252 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.542 0.102 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.386 0.940 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.397 1.279 -0.357 1.00 0.00 H new ATOM 1059 N PHE A 74 15.550 2.019 -1.971 1.00 0.00 N ATOM 1060 CA PHE A 74 15.323 2.949 -3.063 1.00 0.00 C ATOM 1061 C PHE A 74 16.627 3.584 -3.541 1.00 0.00 C ATOM 1062 O PHE A 74 17.436 4.041 -2.733 1.00 0.00 O ATOM 1063 CB PHE A 74 14.316 4.004 -2.630 1.00 0.00 C ATOM 1064 CG PHE A 74 12.939 3.429 -2.436 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.714 2.415 -1.513 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.875 3.892 -3.184 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.449 1.883 -1.344 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.608 3.367 -3.020 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.393 2.361 -2.098 1.00 0.00 C ATOM 0 H PHE A 74 15.435 2.421 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 74 14.915 2.399 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.651 4.463 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.276 4.795 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.536 2.039 -0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.036 4.677 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.286 1.095 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.786 3.743 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.403 1.949 -1.966 1.00 0.00 H new ATOM 1079 N PRO A 75 16.855 3.611 -4.867 1.00 0.00 N ATOM 1080 CA PRO A 75 18.073 4.184 -5.449 1.00 0.00 C ATOM 1081 C PRO A 75 18.157 5.694 -5.269 1.00 0.00 C ATOM 1082 O PRO A 75 17.224 6.327 -4.777 1.00 0.00 O ATOM 1083 CB PRO A 75 17.962 3.838 -6.936 1.00 0.00 C ATOM 1084 CG PRO A 75 16.505 3.648 -7.177 1.00 0.00 C ATOM 1085 CD PRO A 75 15.947 3.081 -5.904 1.00 0.00 C ATOM 0 HA PRO A 75 18.967 3.789 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.365 4.637 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.523 2.934 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.024 4.594 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.333 2.972 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.918 3.401 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.944 1.991 -5.917 1.00 0.00 H new ATOM 1093 N GLU A 76 19.286 6.264 -5.680 1.00 0.00 N ATOM 1094 CA GLU A 76 19.502 7.701 -5.576 1.00 0.00 C ATOM 1095 C GLU A 76 18.643 8.460 -6.586 1.00 0.00 C ATOM 1096 O GLU A 76 18.490 9.678 -6.491 1.00 0.00 O ATOM 1097 CB GLU A 76 20.981 8.028 -5.792 1.00 0.00 C ATOM 1098 CG GLU A 76 21.657 8.633 -4.573 1.00 0.00 C ATOM 1099 CD GLU A 76 22.989 9.274 -4.903 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.128 9.815 -6.021 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.895 9.236 -4.045 1.00 0.00 O ATOM 0 H GLU A 76 20.066 5.750 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 76 19.209 8.017 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.508 7.117 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.072 8.721 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.998 9.380 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.808 7.857 -3.823 1.00 0.00 H new ATOM 1108 N GLU A 77 18.091 7.735 -7.555 1.00 0.00 N ATOM 1109 CA GLU A 77 17.254 8.347 -8.583 1.00 0.00 C ATOM 1110 C GLU A 77 15.794 8.430 -8.136 1.00 0.00 C ATOM 1111 O GLU A 77 15.085 9.372 -8.487 1.00 0.00 O ATOM 1112 CB GLU A 77 17.362 7.569 -9.897 1.00 0.00 C ATOM 1113 CG GLU A 77 17.266 6.061 -9.735 1.00 0.00 C ATOM 1114 CD GLU A 77 18.480 5.335 -10.283 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.547 5.131 -11.512 1.00 0.00 O ATOM 1116 OE2 GLU A 77 19.365 4.971 -9.480 1.00 0.00 O ATOM 0 H GLU A 77 18.208 6.726 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 77 17.616 9.363 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.572 7.902 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.311 7.813 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.150 5.820 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.372 5.701 -10.244 1.00 0.00 H new ATOM 1123 N TYR A 78 15.351 7.449 -7.352 1.00 0.00 N ATOM 1124 CA TYR A 78 13.975 7.435 -6.856 1.00 0.00 C ATOM 1125 C TYR A 78 13.742 8.618 -5.925 1.00 0.00 C ATOM 1126 O TYR A 78 13.030 9.564 -6.264 1.00 0.00 O ATOM 1127 CB TYR A 78 13.687 6.122 -6.116 1.00 0.00 C ATOM 1128 CG TYR A 78 12.214 5.818 -5.963 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.409 6.540 -5.082 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.625 4.805 -6.706 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.062 6.253 -4.952 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.279 4.516 -6.583 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.503 5.243 -5.705 1.00 0.00 C ATOM 1134 OH TYR A 78 8.162 4.957 -5.578 1.00 0.00 O ATOM 0 H TYR A 78 15.920 6.659 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 78 13.298 7.513 -7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.164 5.302 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.144 6.165 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.843 7.334 -4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.230 4.232 -7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.451 6.818 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.837 3.725 -7.171 1.00 0.00 H new ATOM 0 HH TYR A 78 7.926 4.220 -6.179 1.00 0.00 H new ATOM 1144 N HIS A 79 14.369 8.554 -4.756 1.00 0.00 N ATOM 1145 CA HIS A 79 14.279 9.602 -3.746 1.00 0.00 C ATOM 1146 C HIS A 79 12.895 10.249 -3.664 1.00 0.00 C ATOM 1147 O HIS A 79 12.700 11.379 -4.113 1.00 0.00 O ATOM 1148 CB HIS A 79 15.346 10.661 -4.005 1.00 0.00 C ATOM 1149 CG HIS A 79 16.699 10.243 -3.525 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.754 11.117 -3.373 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.166 9.026 -3.153 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.810 10.460 -2.929 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.480 9.190 -2.786 1.00 0.00 N ATOM 0 H HIS A 79 14.958 7.768 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 79 14.450 9.126 -2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.392 10.871 -5.074 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.060 11.589 -3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.609 8.101 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.779 10.889 -2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.100 8.450 -2.456 1.00 0.00 H new ATOM 1161 N ALA A 80 11.941 9.535 -3.064 1.00 0.00 N ATOM 1162 CA ALA A 80 10.589 10.051 -2.895 1.00 0.00 C ATOM 1163 C ALA A 80 10.520 10.985 -1.685 1.00 0.00 C ATOM 1164 O ALA A 80 11.273 10.834 -0.728 1.00 0.00 O ATOM 1165 CB ALA A 80 9.600 8.904 -2.747 1.00 0.00 C ATOM 0 H ALA A 80 12.084 8.598 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 80 10.321 10.623 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.594 9.305 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.633 8.278 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.864 8.306 -1.874 1.00 0.00 H new ATOM 1171 N GLU A 81 9.625 11.960 -1.745 1.00 0.00 N ATOM 1172 CA GLU A 81 9.473 12.936 -0.667 1.00 0.00 C ATOM 1173 C GLU A 81 9.240 12.282 0.696 1.00 0.00 C ATOM 1174 O GLU A 81 9.559 12.871 1.731 1.00 0.00 O ATOM 1175 CB GLU A 81 8.310 13.879 -0.979 1.00 0.00 C ATOM 1176 CG GLU A 81 8.653 14.961 -1.987 1.00 0.00 C ATOM 1177 CD GLU A 81 7.606 15.100 -3.074 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.412 14.884 -2.779 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.980 15.421 -4.222 1.00 0.00 O ATOM 0 H GLU A 81 8.989 12.100 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 81 10.410 13.490 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.472 13.294 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.977 14.349 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.761 15.914 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.617 14.735 -2.443 1.00 0.00 H new ATOM 1186 N ASN A 82 8.651 11.091 0.705 1.00 0.00 N ATOM 1187 CA ASN A 82 8.346 10.410 1.962 1.00 0.00 C ATOM 1188 C ASN A 82 9.417 9.404 2.396 1.00 0.00 C ATOM 1189 O ASN A 82 9.660 9.241 3.592 1.00 0.00 O ATOM 1190 CB ASN A 82 6.995 9.703 1.856 1.00 0.00 C ATOM 1191 CG ASN A 82 6.896 8.819 0.629 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.204 9.148 -0.334 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.589 7.689 0.661 1.00 0.00 N ATOM 0 H ASN A 82 8.377 10.580 -0.134 1.00 0.00 H new ATOM 0 HA ASN A 82 8.318 11.185 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.834 9.099 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.200 10.448 1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.562 7.051 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.149 7.457 1.481 1.00 0.00 H new ATOM 1200 N LEU A 83 10.026 8.699 1.446 1.00 0.00 N ATOM 1201 CA LEU A 83 11.028 7.686 1.795 1.00 0.00 C ATOM 1202 C LEU A 83 12.280 7.742 0.920 1.00 0.00 C ATOM 1203 O LEU A 83 13.031 6.776 0.844 1.00 0.00 O ATOM 1204 CB LEU A 83 10.399 6.287 1.737 1.00 0.00 C ATOM 1205 CG LEU A 83 10.262 5.628 0.347 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.110 6.636 -0.787 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.442 4.724 0.076 1.00 0.00 C ATOM 0 H LEU A 83 9.851 8.804 0.447 1.00 0.00 H new ATOM 0 HA LEU A 83 11.356 7.907 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.992 5.624 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.406 6.345 2.182 1.00 0.00 H new ATOM 0 HG LEU A 83 9.342 5.043 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.019 6.106 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.217 7.239 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.985 7.285 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.332 4.267 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.362 5.308 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.485 3.944 0.836 1.00 0.00 H new ATOM 1219 N LYS A 84 12.501 8.867 0.268 1.00 0.00 N ATOM 1220 CA LYS A 84 13.665 9.047 -0.607 1.00 0.00 C ATOM 1221 C LYS A 84 14.899 8.273 -0.131 1.00 0.00 C ATOM 1222 O LYS A 84 15.324 8.395 1.019 1.00 0.00 O ATOM 1223 CB LYS A 84 14.014 10.530 -0.739 1.00 0.00 C ATOM 1224 CG LYS A 84 14.065 11.269 0.587 1.00 0.00 C ATOM 1225 CD LYS A 84 15.180 12.301 0.604 1.00 0.00 C ATOM 1226 CE LYS A 84 14.762 13.564 1.337 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.924 13.432 2.811 1.00 0.00 N ATOM 0 H LYS A 84 11.890 9.682 0.322 1.00 0.00 H new ATOM 0 HA LYS A 84 13.381 8.642 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.981 10.623 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.278 11.011 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.109 11.761 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.215 10.556 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.062 11.877 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.462 12.550 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.358 14.404 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.721 13.790 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.628 14.315 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.336 12.647 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.922 13.242 3.035 1.00 0.00 H new ATOM 1241 N GLY A 85 15.473 7.483 -1.044 1.00 0.00 N ATOM 1242 CA GLY A 85 16.662 6.699 -0.741 1.00 0.00 C ATOM 1243 C GLY A 85 16.576 5.956 0.579 1.00 0.00 C ATOM 1244 O GLY A 85 17.454 6.093 1.431 1.00 0.00 O ATOM 0 H GLY A 85 15.129 7.373 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.828 5.980 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.528 7.360 -0.721 1.00 0.00 H new ATOM 1248 N LYS A 86 15.517 5.174 0.752 1.00 0.00 N ATOM 1249 CA LYS A 86 15.330 4.414 1.982 1.00 0.00 C ATOM 1250 C LYS A 86 15.761 2.957 1.834 1.00 0.00 C ATOM 1251 O LYS A 86 14.961 2.104 1.447 1.00 0.00 O ATOM 1252 CB LYS A 86 13.871 4.477 2.433 1.00 0.00 C ATOM 1253 CG LYS A 86 13.666 4.100 3.891 1.00 0.00 C ATOM 1254 CD LYS A 86 13.422 2.610 4.053 1.00 0.00 C ATOM 1255 CE LYS A 86 12.194 2.155 3.281 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.557 1.414 2.040 1.00 0.00 N ATOM 0 H LYS A 86 14.778 5.050 0.060 1.00 0.00 H new ATOM 0 HA LYS A 86 15.967 4.873 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.493 5.487 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.277 3.810 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.543 4.391 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.819 4.654 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.295 2.058 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.296 2.375 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.581 1.517 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.587 3.022 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.099 1.863 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.589 1.434 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.236 0.428 2.118 1.00 0.00 H new ATOM 1270 N ALA A 87 17.010 2.667 2.177 1.00 0.00 N ATOM 1271 CA ALA A 87 17.517 1.300 2.118 1.00 0.00 C ATOM 1272 C ALA A 87 17.052 0.547 3.357 1.00 0.00 C ATOM 1273 O ALA A 87 17.610 0.727 4.439 1.00 0.00 O ATOM 1274 CB ALA A 87 19.035 1.295 2.025 1.00 0.00 C ATOM 0 H ALA A 87 17.689 3.357 2.498 1.00 0.00 H new ATOM 0 HA ALA A 87 17.129 0.807 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.394 0.267 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.346 1.826 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.455 1.789 2.901 1.00 0.00 H new ATOM 1280 N ALA A 88 16.001 -0.258 3.217 1.00 0.00 N ATOM 1281 CA ALA A 88 15.459 -0.971 4.369 1.00 0.00 C ATOM 1282 C ALA A 88 15.035 -2.408 4.071 1.00 0.00 C ATOM 1283 O ALA A 88 15.230 -2.933 2.976 1.00 0.00 O ATOM 1284 CB ALA A 88 14.276 -0.191 4.924 1.00 0.00 C ATOM 0 H ALA A 88 15.517 -0.430 2.336 1.00 0.00 H new ATOM 0 HA ALA A 88 16.265 -1.042 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.865 -0.717 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.606 0.802 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.509 -0.098 4.156 1.00 0.00 H new ATOM 1290 N LYS A 89 14.422 -3.007 5.085 1.00 0.00 N ATOM 1291 CA LYS A 89 13.903 -4.364 5.015 1.00 0.00 C ATOM 1292 C LYS A 89 12.413 -4.313 5.305 1.00 0.00 C ATOM 1293 O LYS A 89 11.993 -3.589 6.204 1.00 0.00 O ATOM 1294 CB LYS A 89 14.609 -5.268 6.028 1.00 0.00 C ATOM 1295 CG LYS A 89 15.748 -6.078 5.433 1.00 0.00 C ATOM 1296 CD LYS A 89 16.436 -6.926 6.490 1.00 0.00 C ATOM 1297 CE LYS A 89 17.306 -6.077 7.403 1.00 0.00 C ATOM 1298 NZ LYS A 89 17.441 -6.675 8.761 1.00 0.00 N ATOM 0 H LYS A 89 14.271 -2.558 5.988 1.00 0.00 H new ATOM 0 HA LYS A 89 14.082 -4.778 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.997 -4.654 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.879 -5.950 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.364 -6.721 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.474 -5.406 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.686 -7.450 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.048 -7.687 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.294 -5.962 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.876 -5.079 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.042 -6.065 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.501 -6.761 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.875 -7.617 8.684 1.00 0.00 H new ATOM 1312 N PHE A 90 11.619 -5.097 4.583 1.00 0.00 N ATOM 1313 CA PHE A 90 10.172 -5.129 4.819 1.00 0.00 C ATOM 1314 C PHE A 90 9.627 -6.549 4.805 1.00 0.00 C ATOM 1315 O PHE A 90 10.151 -7.417 4.106 1.00 0.00 O ATOM 1316 CB PHE A 90 9.390 -4.389 3.726 1.00 0.00 C ATOM 1317 CG PHE A 90 9.575 -2.905 3.631 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.346 -2.197 4.530 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.933 -2.224 2.619 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.479 -0.825 4.416 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.056 -0.853 2.498 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.831 -0.152 3.399 1.00 0.00 C ATOM 0 H PHE A 90 11.943 -5.713 3.838 1.00 0.00 H new ATOM 0 HA PHE A 90 10.041 -4.656 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.661 -4.825 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.329 -4.587 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.850 -2.719 5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.326 -2.769 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.089 -0.281 5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.547 -0.332 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.931 0.920 3.309 1.00 0.00 H new ATOM 1332 N ALA A 91 8.527 -6.759 5.515 1.00 0.00 N ATOM 1333 CA ALA A 91 7.848 -8.041 5.528 1.00 0.00 C ATOM 1334 C ALA A 91 6.420 -7.730 5.114 1.00 0.00 C ATOM 1335 O ALA A 91 5.658 -7.119 5.862 1.00 0.00 O ATOM 1336 CB ALA A 91 7.897 -8.681 6.908 1.00 0.00 C ATOM 0 H ALA A 91 8.084 -6.046 6.095 1.00 0.00 H new ATOM 0 HA ALA A 91 8.320 -8.758 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.379 -9.640 6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.935 -8.837 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.411 -8.025 7.631 1.00 0.00 H new ATOM 1342 N ILE A 92 6.111 -8.054 3.866 1.00 0.00 N ATOM 1343 CA ILE A 92 4.827 -7.704 3.277 1.00 0.00 C ATOM 1344 C ILE A 92 3.814 -8.842 3.192 1.00 0.00 C ATOM 1345 O ILE A 92 4.151 -10.022 3.233 1.00 0.00 O ATOM 1346 CB ILE A 92 5.058 -7.165 1.851 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.164 -6.099 1.859 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.763 -6.636 1.257 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.094 -5.102 0.721 1.00 0.00 C ATOM 0 H ILE A 92 6.736 -8.561 3.240 1.00 0.00 H new ATOM 0 HA ILE A 92 4.397 -6.961 3.949 1.00 0.00 H new ATOM 0 HB ILE A 92 5.391 -7.984 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.118 -5.556 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.132 -6.600 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.951 -6.261 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.028 -7.439 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.381 -5.827 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.914 -4.390 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.173 -5.629 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.144 -4.569 0.762 1.00 0.00 H new ATOM 1361 N ASN A 93 2.559 -8.436 3.018 1.00 0.00 N ATOM 1362 CA ASN A 93 1.443 -9.350 2.855 1.00 0.00 C ATOM 1363 C ASN A 93 0.562 -8.852 1.706 1.00 0.00 C ATOM 1364 O ASN A 93 -0.174 -7.875 1.858 1.00 0.00 O ATOM 1365 CB ASN A 93 0.631 -9.444 4.149 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.535 -10.407 4.044 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.414 -11.584 4.383 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.673 -9.911 3.572 1.00 0.00 N ATOM 0 H ASN A 93 2.290 -7.452 2.987 1.00 0.00 H new ATOM 0 HA ASN A 93 1.819 -10.347 2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.286 -9.761 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.256 -8.454 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.492 -10.512 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.728 -8.929 3.303 1.00 0.00 H new ATOM 1375 N LEU A 94 0.660 -9.506 0.550 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.106 -9.107 -0.632 1.00 0.00 C ATOM 1377 C LEU A 94 -1.601 -9.315 -0.430 1.00 0.00 C ATOM 1378 O LEU A 94 -2.018 -10.144 0.377 1.00 0.00 O ATOM 1379 CB LEU A 94 0.376 -9.887 -1.857 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.159 -9.405 -3.205 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.557 -8.137 -3.646 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.005 -10.488 -4.255 1.00 0.00 C ATOM 0 H LEU A 94 1.263 -10.316 0.405 1.00 0.00 H new ATOM 0 HA LEU A 94 0.060 -8.042 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.465 -9.847 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.098 -10.933 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.220 -9.181 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.161 -7.811 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.400 -7.354 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.624 -8.336 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.380 -10.130 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.061 -10.736 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.548 -11.377 -3.951 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.407 -8.553 -1.173 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.854 -8.659 -1.071 1.00 0.00 C ATOM 1396 C LYS A 95 -4.529 -8.372 -2.417 1.00 0.00 C ATOM 1397 O LYS A 95 -4.469 -9.192 -3.330 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.384 -7.722 0.020 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.922 -8.087 1.420 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.937 -7.667 2.471 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.925 -6.162 2.693 1.00 0.00 C ATOM 1402 NZ LYS A 95 -4.425 -5.805 4.050 1.00 0.00 N ATOM 0 H LYS A 95 -2.079 -7.861 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.099 -9.684 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.066 -6.704 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.474 -7.729 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.758 -9.163 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.965 -7.607 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.934 -7.981 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.720 -8.175 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.297 -5.689 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.933 -5.768 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.464 -4.773 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.019 -6.263 4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.442 -6.129 4.154 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.210 -7.235 -2.528 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.924 -6.908 -3.752 1.00 0.00 C ATOM 1418 C LYS A 96 -4.985 -6.539 -4.893 1.00 0.00 C ATOM 1419 O LYS A 96 -4.461 -5.425 -4.951 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.907 -5.765 -3.498 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.083 -6.161 -2.621 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.050 -5.004 -2.428 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.950 -5.220 -1.222 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.920 -4.057 -0.292 1.00 0.00 N ATOM 0 H LYS A 96 -5.281 -6.533 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.467 -7.803 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.376 -4.937 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.283 -5.401 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.607 -7.003 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.717 -6.497 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.489 -4.078 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.662 -4.888 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.973 -5.390 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.636 -6.118 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.546 -4.243 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.948 -3.910 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.244 -3.204 -0.792 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.800 -7.481 -5.814 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.958 -7.281 -6.985 1.00 0.00 C ATOM 1440 C VAL A 97 -4.826 -7.229 -8.243 1.00 0.00 C ATOM 1441 O VAL A 97 -5.336 -8.254 -8.697 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.921 -8.421 -7.125 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.568 -9.782 -6.881 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.249 -8.384 -8.494 1.00 0.00 C ATOM 0 H VAL A 97 -5.231 -8.404 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.424 -6.338 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.154 -8.268 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.818 -10.566 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.985 -9.811 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.364 -9.942 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.525 -9.196 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.003 -8.500 -9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.738 -7.430 -8.623 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.996 -6.034 -8.796 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.809 -5.853 -9.995 1.00 0.00 C ATOM 1456 C GLU A 98 -5.015 -5.141 -11.091 1.00 0.00 C ATOM 1457 O GLU A 98 -3.817 -4.916 -10.938 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.073 -5.070 -9.644 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.922 -5.741 -8.576 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.949 -4.802 -7.973 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -9.616 -4.079 -8.741 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.087 -4.791 -6.731 1.00 0.00 O ATOM 0 H GLU A 98 -4.582 -5.175 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.094 -6.833 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.791 -4.074 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.672 -4.939 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.432 -6.601 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.273 -6.120 -7.786 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.673 -4.799 -12.201 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.988 -4.130 -13.312 1.00 0.00 C ATOM 1471 C GLU A 99 -5.403 -2.674 -13.459 1.00 0.00 C ATOM 1472 O GLU A 99 -6.326 -2.348 -14.207 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.239 -4.867 -14.627 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.460 -4.294 -15.800 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.364 -3.695 -16.861 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.160 -4.450 -17.458 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.275 -2.471 -17.095 1.00 0.00 O ATOM 0 H GLU A 99 -6.667 -4.971 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.924 -4.152 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.974 -5.917 -14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.304 -4.832 -14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.774 -3.528 -15.437 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.852 -5.080 -16.247 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.691 -1.798 -12.766 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.959 -0.369 -12.825 1.00 0.00 C ATOM 1486 C ARG A 100 -4.707 0.174 -14.228 1.00 0.00 C ATOM 1487 O ARG A 100 -4.054 -0.472 -15.050 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.075 0.367 -11.820 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.598 0.333 -12.182 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.060 1.726 -12.469 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.041 1.707 -13.515 1.00 0.00 N ATOM 1492 CZ ARG A 100 0.264 1.840 -13.290 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.728 1.998 -12.057 1.00 0.00 N ATOM 1494 NH2 ARG A 100 1.114 1.807 -14.307 1.00 0.00 N ATOM 0 H ARG A 100 -3.918 -2.054 -12.152 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.007 -0.206 -12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.401 1.405 -11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.211 -0.076 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.033 -0.115 -11.365 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.451 -0.302 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.880 2.377 -12.772 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.638 2.148 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.349 1.584 -14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.082 2.019 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.731 2.099 -11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.767 1.680 -15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.115 1.909 -14.139 1.00 0.00 H new