USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 Single : A 17 GLN :FLIP amide:sc= -0.536 F(o=-2.3,f=-0.54) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -78:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= -0.0397 K(o=-0.04,f=-2.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= 1.01 USER MOD Single : A 43 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-2.4) USER MOD Single : A 44 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc=-0.00547 (180deg=-0.0141) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= -0.205 (180deg=-1.07!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 35:sc= 0.386 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 88 MET CE :methyl 168:sc= 0 (180deg=-0.393) USER MOD Single : A 89 GLN : amide:sc= -0.121 K(o=-0.12,f=-1) USER MOD Single : A 90 SER OG : rot -100:sc= -2.19! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.84! C(o=-1.8!,f=-4.2!) USER MOD Single : A 103 LYS NZ :NH3+ -159:sc= -0.28 (180deg=-1.16) USER MOD Single : A 106 ASN :FLIP amide:sc= -5.47! C(o=-9.8!,f=-5.5!) USER MOD Single : A 110 LYS NZ :NH3+ -158:sc= -0.015 (180deg=-0.792) USER MOD Single : A 115 TYR OH : rot 50:sc= -1.69 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.715 12.155 1.240 1.00 0.00 N ATOM 157 CA GLU A 11 -9.852 12.965 2.145 1.00 0.00 C ATOM 158 C GLU A 11 -8.851 12.050 2.854 1.00 0.00 C ATOM 159 O GLU A 11 -7.653 12.226 2.750 1.00 0.00 O ATOM 160 CB GLU A 11 -10.728 13.665 3.187 1.00 0.00 C ATOM 161 CG GLU A 11 -11.511 14.797 2.519 1.00 0.00 C ATOM 162 CD GLU A 11 -12.975 14.733 2.957 1.00 0.00 C ATOM 163 OE1 GLU A 11 -13.227 14.247 4.047 1.00 0.00 O ATOM 164 OE2 GLU A 11 -13.821 15.172 2.194 1.00 0.00 O ATOM 0 HA GLU A 11 -9.311 13.710 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.416 12.950 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.108 14.062 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.081 15.761 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.441 14.711 1.435 1.00 0.00 H new ATOM 171 N GLU A 12 -9.331 11.073 3.575 1.00 0.00 N ATOM 172 CA GLU A 12 -8.405 10.150 4.289 1.00 0.00 C ATOM 173 C GLU A 12 -7.444 9.512 3.283 1.00 0.00 C ATOM 174 O GLU A 12 -6.293 9.261 3.584 1.00 0.00 O ATOM 175 CB GLU A 12 -9.212 9.057 4.993 1.00 0.00 C ATOM 176 CG GLU A 12 -9.487 7.912 4.017 1.00 0.00 C ATOM 177 CD GLU A 12 -10.574 7.002 4.592 1.00 0.00 C ATOM 178 OE1 GLU A 12 -11.736 7.263 4.331 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.224 6.062 5.286 1.00 0.00 O ATOM 0 H GLU A 12 -10.324 10.875 3.700 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.834 10.710 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.663 8.686 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.152 9.466 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.803 8.310 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.575 7.341 3.843 1.00 0.00 H new ATOM 186 N LEU A 13 -7.903 9.250 2.090 1.00 0.00 N ATOM 187 CA LEU A 13 -7.011 8.633 1.069 1.00 0.00 C ATOM 188 C LEU A 13 -5.958 9.653 0.635 1.00 0.00 C ATOM 189 O LEU A 13 -4.792 9.339 0.496 1.00 0.00 O ATOM 190 CB LEU A 13 -7.840 8.208 -0.145 1.00 0.00 C ATOM 191 CG LEU A 13 -8.775 7.062 0.247 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.783 6.818 -0.877 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.955 5.792 0.479 1.00 0.00 C ATOM 0 H LEU A 13 -8.856 9.436 1.779 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.519 7.759 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.420 9.053 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.182 7.893 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.307 7.325 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.449 6.002 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.368 7.723 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.251 6.556 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.620 4.975 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.423 5.530 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.236 5.964 1.280 1.00 0.00 H new ATOM 205 N ILE A 14 -6.361 10.875 0.419 1.00 0.00 N ATOM 206 CA ILE A 14 -5.386 11.917 -0.006 1.00 0.00 C ATOM 207 C ILE A 14 -4.324 12.096 1.080 1.00 0.00 C ATOM 208 O ILE A 14 -3.159 12.295 0.797 1.00 0.00 O ATOM 209 CB ILE A 14 -6.121 13.242 -0.221 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.940 13.164 -1.512 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.106 14.380 -0.330 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.110 14.147 -1.436 1.00 0.00 C ATOM 0 H ILE A 14 -7.324 11.196 0.519 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.907 11.609 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.785 13.430 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.310 13.399 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.312 12.150 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.631 15.323 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.521 14.435 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.441 14.194 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.693 14.091 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.745 13.892 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.727 15.160 -1.310 1.00 0.00 H new ATOM 224 N GLU A 15 -4.717 12.027 2.322 1.00 0.00 N ATOM 225 CA GLU A 15 -3.729 12.195 3.427 1.00 0.00 C ATOM 226 C GLU A 15 -2.696 11.067 3.364 1.00 0.00 C ATOM 227 O GLU A 15 -1.508 11.306 3.282 1.00 0.00 O ATOM 228 CB GLU A 15 -4.456 12.146 4.772 1.00 0.00 C ATOM 229 CG GLU A 15 -4.533 13.553 5.364 1.00 0.00 C ATOM 230 CD GLU A 15 -3.164 13.950 5.918 1.00 0.00 C ATOM 231 OE1 GLU A 15 -2.563 13.135 6.598 1.00 0.00 O ATOM 232 OE2 GLU A 15 -2.739 15.063 5.651 1.00 0.00 O ATOM 0 H GLU A 15 -5.678 11.862 2.620 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.225 13.156 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.459 11.740 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.931 11.480 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.848 14.264 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.281 13.585 6.156 1.00 0.00 H new ATOM 239 N ILE A 16 -3.140 9.841 3.407 1.00 0.00 N ATOM 240 CA ILE A 16 -2.186 8.697 3.354 1.00 0.00 C ATOM 241 C ILE A 16 -1.190 8.910 2.211 1.00 0.00 C ATOM 242 O ILE A 16 -0.012 9.106 2.431 1.00 0.00 O ATOM 243 CB ILE A 16 -2.961 7.399 3.121 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.652 6.980 4.420 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.997 6.295 2.681 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.909 6.172 4.093 1.00 0.00 C ATOM 0 H ILE A 16 -4.124 9.582 3.477 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.644 8.634 4.297 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.707 7.559 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.973 6.384 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.915 7.861 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.552 5.372 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.502 6.591 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.249 6.135 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.401 5.874 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.590 6.783 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.633 5.283 3.526 1.00 0.00 H new ATOM 258 N GLN A 17 -1.654 8.868 0.993 1.00 0.00 N ATOM 259 CA GLN A 17 -0.733 9.063 -0.162 1.00 0.00 C ATOM 260 C GLN A 17 0.184 10.260 0.103 1.00 0.00 C ATOM 261 O GLN A 17 1.355 10.238 -0.220 1.00 0.00 O ATOM 262 CB GLN A 17 -1.553 9.322 -1.428 1.00 0.00 C ATOM 263 CG GLN A 17 -2.320 8.053 -1.806 1.00 0.00 C ATOM 264 CD GLN A 17 -3.692 8.431 -2.369 1.00 0.00 C ATOM 265 OE1 GLN A 17 -3.859 9.604 -2.914 1.00 0.00 O flip ATOM 266 NE2 GLN A 17 -4.622 7.651 -2.310 1.00 0.00 N flip ATOM 0 H GLN A 17 -2.631 8.707 0.747 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.127 8.167 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.249 10.145 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.896 9.620 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.757 7.482 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.438 7.413 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.492 6.733 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.533 7.914 -2.687 1.00 0.00 H new ATOM 275 N LYS A 18 -0.337 11.304 0.688 1.00 0.00 N ATOM 276 CA LYS A 18 0.510 12.498 0.969 1.00 0.00 C ATOM 277 C LYS A 18 1.693 12.091 1.848 1.00 0.00 C ATOM 278 O LYS A 18 2.802 12.553 1.666 1.00 0.00 O ATOM 279 CB LYS A 18 -0.324 13.556 1.694 1.00 0.00 C ATOM 280 CG LYS A 18 -0.083 14.924 1.052 1.00 0.00 C ATOM 281 CD LYS A 18 -0.568 16.026 1.998 1.00 0.00 C ATOM 282 CE LYS A 18 -2.092 15.973 2.103 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.571 17.107 2.945 1.00 0.00 N ATOM 0 H LYS A 18 -1.310 11.382 0.983 1.00 0.00 H new ATOM 0 HA LYS A 18 0.881 12.908 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.382 13.299 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.055 13.586 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.978 15.055 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.611 14.989 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.120 15.897 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.252 17.002 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.538 16.029 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.405 15.024 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.608 17.072 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.155 17.034 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.284 18.007 2.510 1.00 0.00 H new ATOM 297 N GLU A 19 1.467 11.228 2.801 1.00 0.00 N ATOM 298 CA GLU A 19 2.580 10.793 3.692 1.00 0.00 C ATOM 299 C GLU A 19 3.503 9.842 2.927 1.00 0.00 C ATOM 300 O GLU A 19 4.689 10.078 2.806 1.00 0.00 O ATOM 301 CB GLU A 19 2.002 10.072 4.911 1.00 0.00 C ATOM 302 CG GLU A 19 1.522 11.104 5.934 1.00 0.00 C ATOM 303 CD GLU A 19 0.543 10.441 6.905 1.00 0.00 C ATOM 304 OE1 GLU A 19 -0.584 10.201 6.506 1.00 0.00 O ATOM 305 OE2 GLU A 19 0.938 10.187 8.031 1.00 0.00 O ATOM 0 H GLU A 19 0.560 10.806 3.001 1.00 0.00 H new ATOM 0 HA GLU A 19 3.147 11.664 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.174 9.431 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.758 9.426 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.372 11.513 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.038 11.938 5.426 1.00 0.00 H new ATOM 312 N GLU A 20 2.970 8.770 2.410 1.00 0.00 N ATOM 313 CA GLU A 20 3.818 7.806 1.654 1.00 0.00 C ATOM 314 C GLU A 20 4.672 8.564 0.635 1.00 0.00 C ATOM 315 O GLU A 20 5.885 8.537 0.685 1.00 0.00 O ATOM 316 CB GLU A 20 2.922 6.803 0.925 1.00 0.00 C ATOM 317 CG GLU A 20 1.926 6.193 1.914 1.00 0.00 C ATOM 318 CD GLU A 20 2.628 5.918 3.246 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.701 5.338 3.219 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.081 6.291 4.269 1.00 0.00 O ATOM 0 H GLU A 20 1.984 8.520 2.478 1.00 0.00 H new ATOM 0 HA GLU A 20 4.470 7.275 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.388 7.299 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.529 6.018 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.087 6.872 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.517 5.267 1.509 1.00 0.00 H new ATOM 327 N THR A 21 4.047 9.240 -0.291 1.00 0.00 N ATOM 328 CA THR A 21 4.823 9.999 -1.314 1.00 0.00 C ATOM 329 C THR A 21 5.906 10.831 -0.623 1.00 0.00 C ATOM 330 O THR A 21 7.085 10.628 -0.831 1.00 0.00 O ATOM 331 CB THR A 21 3.878 10.927 -2.082 1.00 0.00 C ATOM 332 OG1 THR A 21 2.889 10.150 -2.743 1.00 0.00 O ATOM 333 CG2 THR A 21 4.673 11.729 -3.112 1.00 0.00 C ATOM 0 H THR A 21 3.033 9.300 -0.383 1.00 0.00 H new ATOM 0 HA THR A 21 5.292 9.300 -2.007 1.00 0.00 H new ATOM 0 HB THR A 21 3.396 11.613 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.274 9.747 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.999 12.389 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.431 12.324 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.157 11.046 -3.810 1.00 0.00 H new ATOM 341 N ARG A 22 5.514 11.767 0.197 1.00 0.00 N ATOM 342 CA ARG A 22 6.518 12.616 0.900 1.00 0.00 C ATOM 343 C ARG A 22 7.713 11.757 1.323 1.00 0.00 C ATOM 344 O ARG A 22 8.847 12.190 1.274 1.00 0.00 O ATOM 345 CB ARG A 22 5.872 13.239 2.142 1.00 0.00 C ATOM 346 CG ARG A 22 6.531 14.585 2.458 1.00 0.00 C ATOM 347 CD ARG A 22 5.591 15.416 3.334 1.00 0.00 C ATOM 348 NE ARG A 22 4.639 14.509 4.035 1.00 0.00 N ATOM 349 CZ ARG A 22 3.939 14.950 5.045 1.00 0.00 C ATOM 350 NH1 ARG A 22 4.066 16.190 5.435 1.00 0.00 N ATOM 351 NH2 ARG A 22 3.112 14.153 5.663 1.00 0.00 N ATOM 0 H ARG A 22 4.540 11.981 0.411 1.00 0.00 H new ATOM 0 HA ARG A 22 6.861 13.404 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.804 13.378 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.976 12.565 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.480 14.427 2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.753 15.120 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.166 15.990 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.044 16.133 2.722 1.00 0.00 H new ATOM 0 HE ARG A 22 4.534 13.543 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.712 16.813 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.519 16.535 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.012 13.185 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.565 14.498 6.452 1.00 0.00 H new ATOM 365 N ASP A 23 7.470 10.544 1.738 1.00 0.00 N ATOM 366 CA ASP A 23 8.594 9.662 2.164 1.00 0.00 C ATOM 367 C ASP A 23 9.467 9.324 0.951 1.00 0.00 C ATOM 368 O ASP A 23 10.678 9.412 1.002 1.00 0.00 O ATOM 369 CB ASP A 23 8.031 8.371 2.766 1.00 0.00 C ATOM 370 CG ASP A 23 8.397 8.295 4.250 1.00 0.00 C ATOM 371 OD1 ASP A 23 7.874 9.093 5.010 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.194 7.440 4.599 1.00 0.00 O ATOM 0 H ASP A 23 6.542 10.125 1.801 1.00 0.00 H new ATOM 0 HA ASP A 23 9.197 10.178 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.948 8.344 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.432 7.506 2.237 1.00 0.00 H new ATOM 377 N ILE A 24 8.861 8.935 -0.137 1.00 0.00 N ATOM 378 CA ILE A 24 9.654 8.589 -1.352 1.00 0.00 C ATOM 379 C ILE A 24 10.400 9.831 -1.847 1.00 0.00 C ATOM 380 O ILE A 24 11.614 9.857 -1.904 1.00 0.00 O ATOM 381 CB ILE A 24 8.711 8.087 -2.446 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.760 7.042 -1.856 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.526 7.453 -3.575 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.573 6.837 -2.800 1.00 0.00 C ATOM 0 H ILE A 24 7.850 8.842 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 24 10.375 7.809 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 24 8.136 8.924 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.286 6.099 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.407 7.368 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.852 7.096 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.205 8.195 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.102 6.616 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.897 6.093 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.041 7.780 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.934 6.492 -3.769 1.00 0.00 H new ATOM 396 N ILE A 25 9.683 10.860 -2.208 1.00 0.00 N ATOM 397 CA ILE A 25 10.350 12.098 -2.702 1.00 0.00 C ATOM 398 C ILE A 25 11.611 12.365 -1.877 1.00 0.00 C ATOM 399 O ILE A 25 12.670 12.624 -2.413 1.00 0.00 O ATOM 400 CB ILE A 25 9.389 13.280 -2.566 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.008 12.869 -3.080 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.910 14.463 -3.387 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.152 12.191 -4.444 1.00 0.00 C ATOM 0 H ILE A 25 8.664 10.897 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 25 10.625 11.971 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 25 9.317 13.573 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.532 12.190 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.364 13.744 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.224 15.304 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.895 14.754 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.982 14.174 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.168 11.898 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.610 12.885 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.781 11.306 -4.346 1.00 0.00 H new ATOM 415 N GLN A 26 11.508 12.306 -0.576 1.00 0.00 N ATOM 416 CA GLN A 26 12.704 12.558 0.277 1.00 0.00 C ATOM 417 C GLN A 26 13.791 11.533 -0.056 1.00 0.00 C ATOM 418 O GLN A 26 14.955 11.863 -0.171 1.00 0.00 O ATOM 419 CB GLN A 26 12.315 12.432 1.752 1.00 0.00 C ATOM 420 CG GLN A 26 11.245 13.473 2.089 1.00 0.00 C ATOM 421 CD GLN A 26 11.917 14.770 2.542 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.748 15.314 1.843 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.591 15.292 3.693 1.00 0.00 N ATOM 0 H GLN A 26 10.649 12.095 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 26 13.082 13.563 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.939 11.429 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.191 12.578 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.619 13.661 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.591 13.096 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.893 14.836 4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.034 16.156 4.005 1.00 0.00 H new ATOM 432 N ALA A 27 13.420 10.291 -0.214 1.00 0.00 N ATOM 433 CA ALA A 27 14.433 9.248 -0.541 1.00 0.00 C ATOM 434 C ALA A 27 15.097 9.585 -1.877 1.00 0.00 C ATOM 435 O ALA A 27 16.279 9.864 -1.943 1.00 0.00 O ATOM 436 CB ALA A 27 13.749 7.884 -0.644 1.00 0.00 C ATOM 0 H ALA A 27 12.461 9.954 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 27 15.188 9.217 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.491 7.122 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.274 7.642 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.994 7.914 -1.429 1.00 0.00 H new ATOM 442 N LEU A 28 14.345 9.563 -2.943 1.00 0.00 N ATOM 443 CA LEU A 28 14.931 9.883 -4.276 1.00 0.00 C ATOM 444 C LEU A 28 15.837 11.109 -4.151 1.00 0.00 C ATOM 445 O LEU A 28 16.983 11.091 -4.556 1.00 0.00 O ATOM 446 CB LEU A 28 13.804 10.181 -5.267 1.00 0.00 C ATOM 447 CG LEU A 28 12.680 9.158 -5.087 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.611 9.377 -6.158 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.252 7.745 -5.220 1.00 0.00 C ATOM 0 H LEU A 28 13.350 9.337 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 28 15.515 9.034 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.422 11.189 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.184 10.143 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 28 12.234 9.280 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.811 8.648 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.203 10.383 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.056 9.256 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.452 7.015 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.699 7.625 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.013 7.587 -4.456 1.00 0.00 H new ATOM 461 N LEU A 29 15.333 12.175 -3.593 1.00 0.00 N ATOM 462 CA LEU A 29 16.166 13.402 -3.442 1.00 0.00 C ATOM 463 C LEU A 29 17.501 13.037 -2.791 1.00 0.00 C ATOM 464 O LEU A 29 18.525 13.624 -3.082 1.00 0.00 O ATOM 465 CB LEU A 29 15.429 14.413 -2.560 1.00 0.00 C ATOM 466 CG LEU A 29 14.386 15.157 -3.398 1.00 0.00 C ATOM 467 CD1 LEU A 29 13.406 15.878 -2.470 1.00 0.00 C ATOM 468 CD2 LEU A 29 15.087 16.181 -4.297 1.00 0.00 C ATOM 0 H LEU A 29 14.381 12.250 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 29 16.348 13.839 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.945 13.901 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.138 15.121 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 29 13.842 14.444 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.663 16.408 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.906 15.149 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.949 16.591 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.344 16.710 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.632 16.895 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.784 15.667 -4.959 1.00 0.00 H new ATOM 480 N GLU A 30 17.501 12.072 -1.913 1.00 0.00 N ATOM 481 CA GLU A 30 18.771 11.671 -1.245 1.00 0.00 C ATOM 482 C GLU A 30 19.643 10.888 -2.229 1.00 0.00 C ATOM 483 O GLU A 30 20.849 11.021 -2.246 1.00 0.00 O ATOM 484 CB GLU A 30 18.456 10.794 -0.031 1.00 0.00 C ATOM 485 CG GLU A 30 19.625 10.847 0.956 1.00 0.00 C ATOM 486 CD GLU A 30 19.916 9.439 1.478 1.00 0.00 C ATOM 487 OE1 GLU A 30 20.172 8.567 0.664 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.878 9.257 2.684 1.00 0.00 O ATOM 0 H GLU A 30 16.676 11.544 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 30 19.305 12.563 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.542 11.139 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.280 9.766 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.510 11.255 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.384 11.512 1.786 1.00 0.00 H new ATOM 495 N ASP A 31 19.041 10.069 -3.049 1.00 0.00 N ATOM 496 CA ASP A 31 19.839 9.280 -4.029 1.00 0.00 C ATOM 497 C ASP A 31 19.240 9.446 -5.428 1.00 0.00 C ATOM 498 O ASP A 31 19.131 8.502 -6.184 1.00 0.00 O ATOM 499 CB ASP A 31 19.814 7.802 -3.634 1.00 0.00 C ATOM 500 CG ASP A 31 21.095 7.457 -2.872 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.542 8.287 -2.097 1.00 0.00 O ATOM 502 OD2 ASP A 31 21.608 6.370 -3.077 1.00 0.00 O ATOM 0 H ASP A 31 18.034 9.913 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 31 20.869 9.638 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.942 7.595 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.728 7.178 -4.524 1.00 0.00 H new ATOM 507 N GLY A 32 18.853 10.642 -5.778 1.00 0.00 N ATOM 508 CA GLY A 32 18.262 10.872 -7.126 1.00 0.00 C ATOM 509 C GLY A 32 17.929 12.355 -7.290 1.00 0.00 C ATOM 510 O GLY A 32 17.030 12.723 -8.021 1.00 0.00 O ATOM 0 H GLY A 32 18.921 11.471 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 32 18.962 10.558 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.361 10.270 -7.247 1.00 0.00 H new ATOM 514 N SER A 33 18.645 13.211 -6.614 1.00 0.00 N ATOM 515 CA SER A 33 18.371 14.671 -6.725 1.00 0.00 C ATOM 516 C SER A 33 18.559 15.120 -8.177 1.00 0.00 C ATOM 517 O SER A 33 19.539 15.750 -8.521 1.00 0.00 O ATOM 518 CB SER A 33 19.336 15.439 -5.819 1.00 0.00 C ATOM 519 OG SER A 33 18.639 16.505 -5.188 1.00 0.00 O ATOM 0 H SER A 33 19.410 12.961 -5.988 1.00 0.00 H new ATOM 0 HA SER A 33 17.345 14.874 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.758 14.771 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.169 15.829 -6.403 1.00 0.00 H new ATOM 0 HG SER A 33 19.254 16.998 -4.605 1.00 0.00 H new ATOM 525 N ASP A 34 17.625 14.805 -9.032 1.00 0.00 N ATOM 526 CA ASP A 34 17.750 15.218 -10.458 1.00 0.00 C ATOM 527 C ASP A 34 16.392 15.706 -10.967 1.00 0.00 C ATOM 528 O ASP A 34 15.904 15.259 -11.985 1.00 0.00 O ATOM 529 CB ASP A 34 18.211 14.024 -11.298 1.00 0.00 C ATOM 530 CG ASP A 34 19.728 13.867 -11.176 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.193 13.644 -10.071 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.399 13.972 -12.189 1.00 0.00 O ATOM 0 H ASP A 34 16.781 14.280 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 34 18.481 16.023 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 34 17.713 13.115 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.933 14.171 -12.342 1.00 0.00 H new ATOM 537 N PRO A 35 15.791 16.621 -10.256 1.00 0.00 N ATOM 538 CA PRO A 35 14.463 17.193 -10.627 1.00 0.00 C ATOM 539 C PRO A 35 14.520 17.990 -11.935 1.00 0.00 C ATOM 540 O PRO A 35 13.512 18.230 -12.570 1.00 0.00 O ATOM 541 CB PRO A 35 14.112 18.117 -9.456 1.00 0.00 C ATOM 542 CG PRO A 35 15.407 18.415 -8.774 1.00 0.00 C ATOM 543 CD PRO A 35 16.316 17.212 -9.018 1.00 0.00 C ATOM 0 HA PRO A 35 13.724 16.410 -10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.635 19.032 -9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.412 17.635 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.854 19.326 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.255 18.575 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.357 17.514 -9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.276 16.505 -8.189 1.00 0.00 H new ATOM 551 N ASP A 36 15.689 18.402 -12.340 1.00 0.00 N ATOM 552 CA ASP A 36 15.806 19.183 -13.605 1.00 0.00 C ATOM 553 C ASP A 36 15.908 18.221 -14.791 1.00 0.00 C ATOM 554 O ASP A 36 15.893 18.627 -15.935 1.00 0.00 O ATOM 555 CB ASP A 36 17.059 20.060 -13.549 1.00 0.00 C ATOM 556 CG ASP A 36 17.006 21.099 -14.671 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.203 22.013 -14.569 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.770 20.965 -15.613 1.00 0.00 O ATOM 0 H ASP A 36 16.568 18.232 -11.851 1.00 0.00 H new ATOM 0 HA ASP A 36 14.926 19.815 -13.725 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.125 20.557 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.952 19.444 -13.652 1.00 0.00 H new ATOM 563 N ALA A 37 16.011 16.947 -14.525 1.00 0.00 N ATOM 564 CA ALA A 37 16.112 15.961 -15.636 1.00 0.00 C ATOM 565 C ALA A 37 14.726 15.389 -15.937 1.00 0.00 C ATOM 566 O ALA A 37 14.585 14.431 -16.671 1.00 0.00 O ATOM 567 CB ALA A 37 17.054 14.827 -15.226 1.00 0.00 C ATOM 0 H ALA A 37 16.029 16.548 -13.587 1.00 0.00 H new ATOM 0 HA ALA A 37 16.502 16.454 -16.526 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.129 14.104 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.042 15.234 -15.011 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.663 14.333 -14.336 1.00 0.00 H new ATOM 573 N LEU A 38 13.701 15.970 -15.377 1.00 0.00 N ATOM 574 CA LEU A 38 12.324 15.462 -15.632 1.00 0.00 C ATOM 575 C LEU A 38 12.192 14.047 -15.064 1.00 0.00 C ATOM 576 O LEU A 38 13.103 13.247 -15.145 1.00 0.00 O ATOM 577 CB LEU A 38 12.063 15.436 -17.143 1.00 0.00 C ATOM 578 CG LEU A 38 10.772 16.197 -17.468 1.00 0.00 C ATOM 579 CD1 LEU A 38 9.572 15.457 -16.874 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.843 17.609 -16.881 1.00 0.00 C ATOM 0 H LEU A 38 13.758 16.775 -14.753 1.00 0.00 H new ATOM 0 HA LEU A 38 11.597 16.116 -15.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.903 15.886 -17.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.984 14.405 -17.488 1.00 0.00 H new ATOM 0 HG LEU A 38 10.658 16.260 -18.550 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.657 16.001 -17.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.516 14.455 -17.298 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.687 15.387 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.924 18.147 -17.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.963 17.548 -15.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.693 18.140 -17.311 1.00 0.00 H new ATOM 592 N TYR A 39 11.064 13.734 -14.489 1.00 0.00 N ATOM 593 CA TYR A 39 10.871 12.372 -13.914 1.00 0.00 C ATOM 594 C TYR A 39 9.702 11.682 -14.620 1.00 0.00 C ATOM 595 O TYR A 39 8.965 12.297 -15.365 1.00 0.00 O ATOM 596 CB TYR A 39 10.565 12.491 -12.420 1.00 0.00 C ATOM 597 CG TYR A 39 11.807 12.178 -11.624 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.849 13.112 -11.554 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.920 10.953 -10.956 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.001 12.820 -10.815 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.072 10.662 -10.217 1.00 0.00 C ATOM 602 CZ TYR A 39 14.114 11.595 -10.146 1.00 0.00 C ATOM 603 OH TYR A 39 15.249 11.306 -9.418 1.00 0.00 O ATOM 0 H TYR A 39 10.267 14.363 -14.392 1.00 0.00 H new ATOM 0 HA TYR A 39 11.778 11.785 -14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.216 13.498 -12.189 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.763 11.805 -12.147 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.763 14.057 -12.070 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.118 10.232 -11.011 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.804 13.540 -10.761 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.158 9.717 -9.701 1.00 0.00 H new ATOM 0 HH TYR A 39 15.632 12.137 -9.067 1.00 0.00 H new ATOM 613 N GLU A 40 9.527 10.408 -14.393 1.00 0.00 N ATOM 614 CA GLU A 40 8.406 9.681 -15.052 1.00 0.00 C ATOM 615 C GLU A 40 7.527 9.020 -13.986 1.00 0.00 C ATOM 616 O GLU A 40 7.956 8.129 -13.280 1.00 0.00 O ATOM 617 CB GLU A 40 8.975 8.607 -15.984 1.00 0.00 C ATOM 618 CG GLU A 40 7.836 7.956 -16.771 1.00 0.00 C ATOM 619 CD GLU A 40 8.410 6.906 -17.723 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.210 6.101 -17.273 1.00 0.00 O ATOM 621 OE2 GLU A 40 8.040 6.925 -18.885 1.00 0.00 O ATOM 0 H GLU A 40 10.112 9.840 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 40 7.806 10.384 -15.630 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.697 9.051 -16.669 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.508 7.853 -15.404 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.125 7.492 -16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.289 8.713 -17.334 1.00 0.00 H new ATOM 628 N ILE A 41 6.300 9.451 -13.863 1.00 0.00 N ATOM 629 CA ILE A 41 5.397 8.847 -12.842 1.00 0.00 C ATOM 630 C ILE A 41 4.649 7.664 -13.461 1.00 0.00 C ATOM 631 O ILE A 41 4.454 7.598 -14.659 1.00 0.00 O ATOM 632 CB ILE A 41 4.388 9.895 -12.368 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.107 11.228 -12.144 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.749 9.436 -11.056 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.399 10.987 -11.361 1.00 0.00 C ATOM 0 H ILE A 41 5.885 10.194 -14.425 1.00 0.00 H new ATOM 0 HA ILE A 41 5.988 8.502 -11.993 1.00 0.00 H new ATOM 0 HB ILE A 41 3.613 10.020 -13.124 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.332 11.697 -13.102 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.461 11.914 -11.597 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.031 10.184 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.238 8.486 -11.213 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.523 9.310 -10.299 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.910 11.936 -11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.162 10.537 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.047 10.316 -11.925 1.00 0.00 H new ATOM 647 N GLU A 42 4.231 6.726 -12.655 1.00 0.00 N ATOM 648 CA GLU A 42 3.499 5.548 -13.199 1.00 0.00 C ATOM 649 C GLU A 42 2.315 5.213 -12.288 1.00 0.00 C ATOM 650 O GLU A 42 2.479 4.955 -11.111 1.00 0.00 O ATOM 651 CB GLU A 42 4.444 4.348 -13.265 1.00 0.00 C ATOM 652 CG GLU A 42 3.625 3.055 -13.266 1.00 0.00 C ATOM 653 CD GLU A 42 4.483 1.905 -13.798 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.016 2.043 -14.886 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.589 0.904 -13.108 1.00 0.00 O ATOM 0 H GLU A 42 4.365 6.725 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 42 3.132 5.780 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.058 4.403 -14.164 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.124 4.360 -12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.282 2.829 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.736 3.176 -13.885 1.00 0.00 H new ATOM 662 N HIS A 43 1.124 5.210 -12.823 1.00 0.00 N ATOM 663 CA HIS A 43 -0.066 4.887 -11.988 1.00 0.00 C ATOM 664 C HIS A 43 -0.718 3.602 -12.499 1.00 0.00 C ATOM 665 O HIS A 43 -0.846 3.389 -13.688 1.00 0.00 O ATOM 666 CB HIS A 43 -1.074 6.035 -12.071 1.00 0.00 C ATOM 667 CG HIS A 43 -0.365 7.339 -11.830 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.175 7.854 -10.555 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.207 8.245 -12.690 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.487 9.020 -10.682 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.743 9.301 -11.961 1.00 0.00 N ATOM 0 H HIS A 43 0.925 5.417 -13.802 1.00 0.00 H new ATOM 0 HA HIS A 43 0.246 4.749 -10.953 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.552 6.044 -13.050 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.863 5.895 -11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.236 8.152 -13.766 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.775 9.649 -9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.230 10.119 -12.327 1.00 0.00 H new ATOM 679 N HIS A 44 -1.135 2.744 -11.609 1.00 0.00 N ATOM 680 CA HIS A 44 -1.782 1.475 -12.045 1.00 0.00 C ATOM 681 C HIS A 44 -3.249 1.481 -11.609 1.00 0.00 C ATOM 682 O HIS A 44 -3.568 1.769 -10.473 1.00 0.00 O ATOM 683 CB HIS A 44 -1.062 0.286 -11.405 1.00 0.00 C ATOM 684 CG HIS A 44 -0.164 -0.359 -12.424 1.00 0.00 C ATOM 685 ND1 HIS A 44 1.219 -0.250 -12.367 1.00 0.00 N ATOM 686 CD2 HIS A 44 -0.434 -1.121 -13.534 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.725 -0.930 -13.413 1.00 0.00 C ATOM 688 NE2 HIS A 44 0.759 -1.478 -14.153 1.00 0.00 N ATOM 0 H HIS A 44 -1.056 2.867 -10.600 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.723 1.389 -13.130 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.477 0.619 -10.547 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.789 -0.437 -11.034 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.420 -1.400 -13.874 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.780 -1.021 -13.626 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.872 -2.041 -14.996 1.00 0.00 H new ATOM 696 N LEU A 45 -4.142 1.168 -12.506 1.00 0.00 N ATOM 697 CA LEU A 45 -5.588 1.159 -12.145 1.00 0.00 C ATOM 698 C LEU A 45 -6.247 -0.100 -12.714 1.00 0.00 C ATOM 699 O LEU A 45 -5.867 -0.592 -13.757 1.00 0.00 O ATOM 700 CB LEU A 45 -6.265 2.397 -12.738 1.00 0.00 C ATOM 701 CG LEU A 45 -5.800 3.646 -11.987 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.752 4.384 -12.822 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.998 4.567 -11.746 1.00 0.00 C ATOM 0 H LEU A 45 -3.934 0.918 -13.473 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.693 1.167 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.021 2.485 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.348 2.300 -12.667 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.363 3.355 -11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.421 5.274 -12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.899 3.728 -12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.188 4.677 -13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.670 5.458 -11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.432 4.857 -12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.747 4.042 -11.152 1.00 0.00 H new ATOM 715 N PHE A 46 -7.233 -0.624 -12.039 1.00 0.00 N ATOM 716 CA PHE A 46 -7.913 -1.847 -12.550 1.00 0.00 C ATOM 717 C PHE A 46 -9.427 -1.677 -12.440 1.00 0.00 C ATOM 718 O PHE A 46 -9.923 -0.980 -11.578 1.00 0.00 O ATOM 719 CB PHE A 46 -7.471 -3.064 -11.733 1.00 0.00 C ATOM 720 CG PHE A 46 -7.480 -2.719 -10.264 1.00 0.00 C ATOM 721 CD1 PHE A 46 -6.525 -1.836 -9.746 1.00 0.00 C ATOM 722 CD2 PHE A 46 -8.440 -3.288 -9.419 1.00 0.00 C ATOM 723 CE1 PHE A 46 -6.533 -1.519 -8.382 1.00 0.00 C ATOM 724 CE2 PHE A 46 -8.447 -2.970 -8.055 1.00 0.00 C ATOM 725 CZ PHE A 46 -7.494 -2.086 -7.537 1.00 0.00 C ATOM 0 H PHE A 46 -7.596 -0.259 -11.158 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.642 -1.998 -13.595 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.139 -3.904 -11.923 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -6.472 -3.375 -12.037 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.783 -1.400 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.175 -3.972 -9.818 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.797 -0.837 -7.982 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.188 -3.407 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.500 -1.841 -6.485 1.00 0.00 H new ATOM 735 N ALA A 47 -10.163 -2.306 -13.313 1.00 0.00 N ATOM 736 CA ALA A 47 -11.647 -2.176 -13.264 1.00 0.00 C ATOM 737 C ALA A 47 -12.293 -3.523 -13.590 1.00 0.00 C ATOM 738 O ALA A 47 -11.622 -4.489 -13.895 1.00 0.00 O ATOM 739 CB ALA A 47 -12.098 -1.135 -14.291 1.00 0.00 C ATOM 0 H ALA A 47 -9.803 -2.903 -14.057 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.950 -1.862 -12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.183 -1.037 -14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.640 -0.173 -14.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.793 -1.452 -15.288 1.00 0.00 H new ATOM 745 N GLU A 48 -13.594 -3.592 -13.528 1.00 0.00 N ATOM 746 CA GLU A 48 -14.287 -4.874 -13.835 1.00 0.00 C ATOM 747 C GLU A 48 -15.081 -4.721 -15.132 1.00 0.00 C ATOM 748 O GLU A 48 -14.950 -5.507 -16.050 1.00 0.00 O ATOM 749 CB GLU A 48 -15.243 -5.226 -12.692 1.00 0.00 C ATOM 750 CG GLU A 48 -14.531 -5.049 -11.348 1.00 0.00 C ATOM 751 CD GLU A 48 -15.570 -4.894 -10.237 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.209 -5.880 -9.908 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.711 -3.792 -9.734 1.00 0.00 O ATOM 0 H GLU A 48 -14.207 -2.816 -13.278 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.549 -5.669 -13.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.125 -4.587 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.589 -6.254 -12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.893 -5.909 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.884 -4.173 -11.380 1.00 0.00 H new ATOM 760 N ASP A 49 -15.907 -3.714 -15.216 1.00 0.00 N ATOM 761 CA ASP A 49 -16.711 -3.509 -16.453 1.00 0.00 C ATOM 762 C ASP A 49 -15.842 -2.846 -17.523 1.00 0.00 C ATOM 763 O ASP A 49 -15.634 -1.649 -17.513 1.00 0.00 O ATOM 764 CB ASP A 49 -17.909 -2.612 -16.139 1.00 0.00 C ATOM 765 CG ASP A 49 -19.084 -2.994 -17.041 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.249 -4.176 -17.296 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.799 -2.099 -17.460 1.00 0.00 O ATOM 0 H ASP A 49 -16.060 -3.024 -14.480 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.065 -4.472 -16.820 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.191 -2.718 -15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.644 -1.566 -16.293 1.00 0.00 H new ATOM 772 N PHE A 50 -15.335 -3.613 -18.448 1.00 0.00 N ATOM 773 CA PHE A 50 -14.482 -3.024 -19.518 1.00 0.00 C ATOM 774 C PHE A 50 -15.122 -1.732 -20.028 1.00 0.00 C ATOM 775 O PHE A 50 -14.509 -0.963 -20.742 1.00 0.00 O ATOM 776 CB PHE A 50 -14.356 -4.022 -20.672 1.00 0.00 C ATOM 777 CG PHE A 50 -15.286 -5.188 -20.431 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.673 -4.999 -20.477 1.00 0.00 C ATOM 779 CD2 PHE A 50 -14.760 -6.457 -20.161 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.534 -6.080 -20.251 1.00 0.00 C ATOM 781 CE2 PHE A 50 -15.621 -7.537 -19.936 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.008 -7.349 -19.981 1.00 0.00 C ATOM 0 H PHE A 50 -15.474 -4.622 -18.509 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.493 -2.804 -19.116 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.602 -3.536 -21.616 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.327 -4.374 -20.753 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -17.078 -4.020 -20.687 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.690 -6.602 -20.126 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.604 -5.935 -20.285 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.216 -8.516 -19.728 1.00 0.00 H new ATOM 0 HZ PHE A 50 -17.672 -8.183 -19.807 1.00 0.00 H new ATOM 792 N ASP A 51 -16.352 -1.485 -19.667 1.00 0.00 N ATOM 793 CA ASP A 51 -17.030 -0.243 -20.132 1.00 0.00 C ATOM 794 C ASP A 51 -16.467 0.961 -19.374 1.00 0.00 C ATOM 795 O ASP A 51 -15.824 1.820 -19.945 1.00 0.00 O ATOM 796 CB ASP A 51 -18.535 -0.357 -19.868 1.00 0.00 C ATOM 797 CG ASP A 51 -19.298 -0.254 -21.191 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.761 -0.687 -22.196 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.405 0.257 -21.175 1.00 0.00 O ATOM 0 H ASP A 51 -16.916 -2.090 -19.070 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.857 -0.111 -21.200 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.758 -1.306 -19.381 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.856 0.433 -19.189 1.00 0.00 H new ATOM 804 N LYS A 52 -16.706 1.035 -18.093 1.00 0.00 N ATOM 805 CA LYS A 52 -16.186 2.186 -17.302 1.00 0.00 C ATOM 806 C LYS A 52 -14.658 2.225 -17.393 1.00 0.00 C ATOM 807 O LYS A 52 -14.038 3.236 -17.126 1.00 0.00 O ATOM 808 CB LYS A 52 -16.608 2.031 -15.839 1.00 0.00 C ATOM 809 CG LYS A 52 -15.582 1.170 -15.097 1.00 0.00 C ATOM 810 CD LYS A 52 -16.125 0.802 -13.714 1.00 0.00 C ATOM 811 CE LYS A 52 -16.109 -0.719 -13.545 1.00 0.00 C ATOM 812 NZ LYS A 52 -16.824 -1.087 -12.291 1.00 0.00 N ATOM 0 H LYS A 52 -17.239 0.348 -17.560 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.594 3.114 -17.702 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.686 3.010 -15.367 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.594 1.570 -15.781 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.370 0.266 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.642 1.712 -14.997 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.520 1.271 -12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.141 1.180 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.586 -1.196 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.081 -1.081 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.784 -2.118 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.371 -0.616 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.817 -0.785 -12.356 1.00 0.00 H new ATOM 826 N LEU A 53 -14.045 1.135 -17.765 1.00 0.00 N ATOM 827 CA LEU A 53 -12.559 1.115 -17.868 1.00 0.00 C ATOM 828 C LEU A 53 -12.117 1.937 -19.082 1.00 0.00 C ATOM 829 O LEU A 53 -11.436 2.934 -18.953 1.00 0.00 O ATOM 830 CB LEU A 53 -12.079 -0.330 -18.029 1.00 0.00 C ATOM 831 CG LEU A 53 -10.590 -0.416 -17.686 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.125 -1.869 -17.795 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.791 0.449 -18.664 1.00 0.00 C ATOM 0 H LEU A 53 -14.509 0.258 -18.002 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.128 1.544 -16.964 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.652 -0.989 -17.377 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.247 -0.668 -19.051 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.430 -0.058 -16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.065 -1.931 -17.551 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.694 -2.486 -17.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.285 -2.227 -18.812 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.730 0.388 -18.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.951 0.091 -19.681 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.122 1.485 -18.588 1.00 0.00 H new ATOM 845 N GLU A 54 -12.498 1.526 -20.260 1.00 0.00 N ATOM 846 CA GLU A 54 -12.096 2.285 -21.479 1.00 0.00 C ATOM 847 C GLU A 54 -12.634 3.716 -21.391 1.00 0.00 C ATOM 848 O GLU A 54 -12.149 4.612 -22.053 1.00 0.00 O ATOM 849 CB GLU A 54 -12.669 1.601 -22.722 1.00 0.00 C ATOM 850 CG GLU A 54 -11.969 2.144 -23.969 1.00 0.00 C ATOM 851 CD GLU A 54 -12.318 1.268 -25.174 1.00 0.00 C ATOM 852 OE1 GLU A 54 -13.497 1.105 -25.441 1.00 0.00 O ATOM 853 OE2 GLU A 54 -11.400 0.775 -25.808 1.00 0.00 O ATOM 0 H GLU A 54 -13.069 0.699 -20.432 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.008 2.309 -21.547 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.529 0.522 -22.654 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.742 1.780 -22.787 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.278 3.173 -24.153 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.890 2.157 -23.816 1.00 0.00 H new ATOM 860 N LYS A 55 -13.631 3.937 -20.579 1.00 0.00 N ATOM 861 CA LYS A 55 -14.195 5.310 -20.452 1.00 0.00 C ATOM 862 C LYS A 55 -13.263 6.164 -19.591 1.00 0.00 C ATOM 863 O LYS A 55 -12.819 7.219 -19.998 1.00 0.00 O ATOM 864 CB LYS A 55 -15.573 5.236 -19.791 1.00 0.00 C ATOM 865 CG LYS A 55 -16.593 4.703 -20.798 1.00 0.00 C ATOM 866 CD LYS A 55 -17.449 5.858 -21.318 1.00 0.00 C ATOM 867 CE LYS A 55 -17.990 5.510 -22.706 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.050 4.470 -22.580 1.00 0.00 N ATOM 0 H LYS A 55 -14.079 3.227 -19.999 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.290 5.758 -21.441 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.535 4.586 -18.917 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.874 6.223 -19.441 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.080 4.215 -21.627 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.226 3.951 -20.327 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.274 6.050 -20.632 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.856 6.771 -21.366 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.396 6.402 -23.184 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.183 5.147 -23.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.418 4.233 -23.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.649 3.617 -22.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.824 4.833 -21.988 1.00 0.00 H new ATOM 882 N ALA A 56 -12.961 5.714 -18.403 1.00 0.00 N ATOM 883 CA ALA A 56 -12.055 6.498 -17.518 1.00 0.00 C ATOM 884 C ALA A 56 -10.676 6.608 -18.173 1.00 0.00 C ATOM 885 O ALA A 56 -9.972 7.583 -18.002 1.00 0.00 O ATOM 886 CB ALA A 56 -11.927 5.792 -16.166 1.00 0.00 C ATOM 0 H ALA A 56 -13.303 4.838 -18.008 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.465 7.496 -17.367 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.264 6.365 -15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.910 5.714 -15.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.515 4.794 -16.314 1.00 0.00 H new ATOM 892 N ALA A 57 -10.287 5.613 -18.925 1.00 0.00 N ATOM 893 CA ALA A 57 -8.955 5.659 -19.594 1.00 0.00 C ATOM 894 C ALA A 57 -8.959 6.753 -20.664 1.00 0.00 C ATOM 895 O ALA A 57 -8.091 7.601 -20.699 1.00 0.00 O ATOM 896 CB ALA A 57 -8.669 4.306 -20.249 1.00 0.00 C ATOM 0 H ALA A 57 -10.834 4.771 -19.105 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.184 5.877 -18.855 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.696 4.337 -20.739 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.667 3.526 -19.487 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.440 4.089 -20.988 1.00 0.00 H new ATOM 902 N VAL A 58 -9.930 6.741 -21.537 1.00 0.00 N ATOM 903 CA VAL A 58 -9.987 7.782 -22.602 1.00 0.00 C ATOM 904 C VAL A 58 -9.845 9.166 -21.966 1.00 0.00 C ATOM 905 O VAL A 58 -8.970 9.934 -22.315 1.00 0.00 O ATOM 906 CB VAL A 58 -11.326 7.692 -23.335 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.664 9.049 -23.954 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.232 6.637 -24.440 1.00 0.00 C ATOM 0 H VAL A 58 -10.685 6.056 -21.558 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.175 7.621 -23.312 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.107 7.412 -22.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.619 8.983 -24.476 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.732 9.801 -23.168 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.883 9.331 -24.660 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.186 6.572 -24.963 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.450 6.918 -25.145 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.993 5.669 -23.999 1.00 0.00 H new ATOM 918 N GLU A 59 -10.699 9.491 -21.034 1.00 0.00 N ATOM 919 CA GLU A 59 -10.610 10.824 -20.376 1.00 0.00 C ATOM 920 C GLU A 59 -9.164 11.084 -19.949 1.00 0.00 C ATOM 921 O GLU A 59 -8.583 12.100 -20.273 1.00 0.00 O ATOM 922 CB GLU A 59 -11.518 10.845 -19.145 1.00 0.00 C ATOM 923 CG GLU A 59 -12.127 12.241 -18.983 1.00 0.00 C ATOM 924 CD GLU A 59 -13.221 12.446 -20.032 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.222 11.718 -21.010 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.040 13.329 -19.839 1.00 0.00 O ATOM 0 H GLU A 59 -11.454 8.891 -20.701 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.928 11.598 -21.075 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.308 10.102 -19.250 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.948 10.580 -18.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.543 12.354 -17.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.354 13.002 -19.095 1.00 0.00 H new ATOM 933 N ALA A 60 -8.578 10.171 -19.223 1.00 0.00 N ATOM 934 CA ALA A 60 -7.170 10.365 -18.777 1.00 0.00 C ATOM 935 C ALA A 60 -6.324 10.831 -19.964 1.00 0.00 C ATOM 936 O ALA A 60 -5.571 11.780 -19.868 1.00 0.00 O ATOM 937 CB ALA A 60 -6.617 9.040 -18.243 1.00 0.00 C ATOM 0 H ALA A 60 -9.014 9.300 -18.920 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.136 11.116 -17.987 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.587 9.181 -17.916 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.222 8.706 -17.400 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.648 8.289 -19.032 1.00 0.00 H new ATOM 943 N PHE A 61 -6.444 10.171 -21.083 1.00 0.00 N ATOM 944 CA PHE A 61 -5.650 10.575 -22.277 1.00 0.00 C ATOM 945 C PHE A 61 -5.852 12.068 -22.543 1.00 0.00 C ATOM 946 O PHE A 61 -4.906 12.825 -22.632 1.00 0.00 O ATOM 947 CB PHE A 61 -6.119 9.773 -23.494 1.00 0.00 C ATOM 948 CG PHE A 61 -5.370 10.235 -24.721 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.971 10.197 -24.744 1.00 0.00 C ATOM 950 CD2 PHE A 61 -6.076 10.701 -25.836 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.277 10.624 -25.881 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.382 11.129 -26.974 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.983 11.090 -26.997 1.00 0.00 C ATOM 0 H PHE A 61 -7.058 9.369 -21.222 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.593 10.378 -22.095 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.948 8.709 -23.330 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.191 9.905 -23.638 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.427 9.838 -23.883 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.155 10.730 -25.818 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.198 10.594 -25.898 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.926 11.489 -27.834 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.448 11.419 -27.875 1.00 0.00 H new ATOM 963 N LYS A 62 -7.078 12.498 -22.668 1.00 0.00 N ATOM 964 CA LYS A 62 -7.336 13.942 -22.927 1.00 0.00 C ATOM 965 C LYS A 62 -6.498 14.789 -21.967 1.00 0.00 C ATOM 966 O LYS A 62 -5.933 15.797 -22.345 1.00 0.00 O ATOM 967 CB LYS A 62 -8.821 14.244 -22.709 1.00 0.00 C ATOM 968 CG LYS A 62 -9.166 15.594 -23.340 1.00 0.00 C ATOM 969 CD LYS A 62 -9.687 15.375 -24.762 1.00 0.00 C ATOM 970 CE LYS A 62 -9.226 16.526 -25.658 1.00 0.00 C ATOM 971 NZ LYS A 62 -7.737 16.536 -25.727 1.00 0.00 N ATOM 0 H LYS A 62 -7.911 11.912 -22.602 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.065 14.180 -23.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.432 13.457 -23.152 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.047 14.261 -21.643 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.919 16.106 -22.740 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.284 16.234 -23.359 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.320 14.426 -25.153 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.775 15.318 -24.757 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.646 16.414 -26.657 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.589 17.475 -25.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.435 16.837 -26.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.361 17.198 -25.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.374 15.580 -25.535 1.00 0.00 H new ATOM 985 N MET A 63 -6.412 14.389 -20.728 1.00 0.00 N ATOM 986 CA MET A 63 -5.611 15.172 -19.745 1.00 0.00 C ATOM 987 C MET A 63 -4.140 15.165 -20.168 1.00 0.00 C ATOM 988 O MET A 63 -3.535 16.202 -20.360 1.00 0.00 O ATOM 989 CB MET A 63 -5.746 14.542 -18.357 1.00 0.00 C ATOM 990 CG MET A 63 -7.221 14.510 -17.953 1.00 0.00 C ATOM 991 SD MET A 63 -7.400 13.629 -16.382 1.00 0.00 S ATOM 992 CE MET A 63 -9.207 13.547 -16.375 1.00 0.00 C ATOM 0 H MET A 63 -6.862 13.554 -20.354 1.00 0.00 H new ATOM 0 HA MET A 63 -5.977 16.198 -19.713 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.338 13.531 -18.363 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.171 15.114 -17.629 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.605 15.526 -17.858 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.810 14.018 -18.727 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.544 13.032 -15.475 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.617 14.557 -16.391 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.550 13.002 -17.255 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.558 14.007 -20.316 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.128 13.939 -20.728 1.00 0.00 C ATOM 1004 C GLY A 64 -1.450 12.749 -20.044 1.00 0.00 C ATOM 1005 O GLY A 64 -0.341 12.851 -19.558 1.00 0.00 O ATOM 0 H GLY A 64 -4.011 13.105 -20.169 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.056 13.838 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.618 14.864 -20.460 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.105 11.623 -20.005 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.496 10.428 -19.353 1.00 0.00 C ATOM 1011 C PHE A 65 -1.214 9.361 -20.413 1.00 0.00 C ATOM 1012 O PHE A 65 -1.946 9.218 -21.372 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.466 9.863 -18.312 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.268 10.575 -16.994 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.209 10.211 -16.154 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.147 11.595 -16.612 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.029 10.868 -14.931 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -2.966 12.253 -15.390 1.00 0.00 C ATOM 1019 CZ PHE A 65 -1.907 11.889 -14.549 1.00 0.00 C ATOM 0 H PHE A 65 -3.036 11.477 -20.396 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.565 10.716 -18.865 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.494 9.987 -18.653 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.299 8.793 -18.187 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.531 9.424 -16.449 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.965 11.874 -17.260 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.213 10.587 -14.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.643 13.041 -15.096 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.768 12.396 -13.606 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.160 8.610 -20.248 1.00 0.00 N ATOM 1030 CA GLU A 66 0.161 7.554 -21.248 1.00 0.00 C ATOM 1031 C GLU A 66 -0.533 6.250 -20.851 1.00 0.00 C ATOM 1032 O GLU A 66 0.100 5.300 -20.436 1.00 0.00 O ATOM 1033 CB GLU A 66 1.674 7.335 -21.292 1.00 0.00 C ATOM 1034 CG GLU A 66 2.318 8.397 -22.185 1.00 0.00 C ATOM 1035 CD GLU A 66 2.177 9.770 -21.527 1.00 0.00 C ATOM 1036 OE1 GLU A 66 1.052 10.205 -21.343 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.196 10.365 -21.218 1.00 0.00 O ATOM 0 H GLU A 66 0.491 8.682 -19.466 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.188 7.867 -22.232 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.089 7.390 -20.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.897 6.339 -21.675 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.371 8.164 -22.344 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.841 8.401 -23.165 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.832 6.196 -20.976 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.562 4.952 -20.605 1.00 0.00 C ATOM 1046 C VAL A 67 -1.844 3.743 -21.206 1.00 0.00 C ATOM 1047 O VAL A 67 -1.230 3.832 -22.252 1.00 0.00 O ATOM 1048 CB VAL A 67 -3.993 5.020 -21.142 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -3.986 4.780 -22.651 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.842 3.945 -20.459 1.00 0.00 C ATOM 0 H VAL A 67 -2.417 6.958 -21.318 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.589 4.855 -19.520 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.413 6.004 -20.935 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.006 4.829 -23.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.380 5.544 -23.138 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.567 3.796 -22.861 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.862 3.991 -20.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.421 2.962 -20.668 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.848 4.116 -19.382 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.910 2.616 -20.553 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.226 1.406 -21.088 1.00 0.00 C ATOM 1062 C LEU A 68 -2.183 0.214 -21.043 1.00 0.00 C ATOM 1063 O LEU A 68 -3.050 0.133 -20.196 1.00 0.00 O ATOM 1064 CB LEU A 68 0.010 1.107 -20.237 1.00 0.00 C ATOM 1065 CG LEU A 68 1.268 1.219 -21.103 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.509 1.260 -20.208 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.353 0.006 -22.033 1.00 0.00 C ATOM 0 H LEU A 68 -2.408 2.481 -19.673 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.923 1.583 -22.120 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.067 1.806 -19.402 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.063 0.106 -19.811 1.00 0.00 H new ATOM 0 HG LEU A 68 1.219 2.133 -21.695 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.402 1.340 -20.828 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.450 2.122 -19.544 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.560 0.347 -19.614 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.248 0.083 -22.651 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.400 -0.906 -21.438 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.471 -0.024 -22.673 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.034 -0.712 -21.950 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.935 -1.898 -21.962 1.00 0.00 C ATOM 1081 C GLU A 69 -2.871 -2.608 -20.608 1.00 0.00 C ATOM 1082 O GLU A 69 -2.070 -2.273 -19.757 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.490 -2.862 -23.064 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.535 -2.148 -24.417 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.047 -3.114 -25.487 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.486 -4.192 -25.602 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.990 -2.760 -26.174 1.00 0.00 O ATOM 0 H GLU A 69 -1.326 -0.698 -22.684 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.958 -1.573 -22.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.480 -3.219 -22.863 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.140 -3.737 -23.081 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.186 -1.276 -24.358 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.541 -1.787 -24.683 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.712 -3.585 -20.404 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.706 -4.320 -19.107 1.00 0.00 C ATOM 1096 C ALA A 70 -3.410 -5.799 -19.362 1.00 0.00 C ATOM 1097 O ALA A 70 -3.218 -6.220 -20.486 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.075 -4.186 -18.439 1.00 0.00 C ATOM 0 H ALA A 70 -4.404 -3.906 -21.081 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.939 -3.901 -18.455 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.071 -4.723 -17.491 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.290 -3.133 -18.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.841 -4.606 -19.091 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.370 -6.594 -18.327 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.087 -8.045 -18.513 1.00 0.00 C ATOM 1106 C GLU A 71 -3.861 -8.855 -17.470 1.00 0.00 C ATOM 1107 O GLU A 71 -3.901 -8.511 -16.306 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.588 -8.298 -18.343 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.332 -9.802 -18.227 1.00 0.00 C ATOM 1110 CD GLU A 71 0.171 -10.073 -18.314 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.933 -9.181 -17.979 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.534 -11.167 -18.713 1.00 0.00 O ATOM 0 H GLU A 71 -3.521 -6.301 -17.362 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.397 -8.349 -19.513 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.041 -7.890 -19.193 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.221 -7.787 -17.453 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.726 -10.177 -17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.855 -10.333 -19.023 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.475 -9.933 -17.879 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.244 -10.765 -16.911 1.00 0.00 C ATOM 1121 C GLU A 72 -4.471 -10.852 -15.594 1.00 0.00 C ATOM 1122 O GLU A 72 -3.418 -11.453 -15.520 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.435 -12.170 -17.487 1.00 0.00 C ATOM 1124 CG GLU A 72 -5.032 -12.174 -18.962 1.00 0.00 C ATOM 1125 CD GLU A 72 -5.218 -13.579 -19.539 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.306 -13.865 -20.012 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -4.269 -14.345 -19.499 1.00 0.00 O ATOM 0 H GLU A 72 -4.477 -10.272 -18.841 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.219 -10.312 -16.732 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.831 -12.888 -16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.475 -12.480 -17.382 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.638 -11.458 -19.517 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.993 -11.861 -19.067 1.00 0.00 H new ATOM 1134 N THR A 73 -4.983 -10.254 -14.553 1.00 0.00 N ATOM 1135 CA THR A 73 -4.270 -10.302 -13.245 1.00 0.00 C ATOM 1136 C THR A 73 -5.088 -11.118 -12.243 1.00 0.00 C ATOM 1137 O THR A 73 -6.006 -11.828 -12.603 1.00 0.00 O ATOM 1138 CB THR A 73 -4.086 -8.881 -12.711 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.303 -8.921 -11.527 1.00 0.00 O ATOM 1140 CG2 THR A 73 -5.453 -8.266 -12.400 1.00 0.00 C ATOM 0 H THR A 73 -5.862 -9.736 -14.551 1.00 0.00 H new ATOM 0 HA THR A 73 -3.295 -10.769 -13.383 1.00 0.00 H new ATOM 0 HB THR A 73 -3.581 -8.274 -13.462 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.182 -8.011 -11.184 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.318 -7.253 -12.020 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.053 -8.235 -13.309 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.962 -8.871 -11.649 1.00 0.00 H new ATOM 1223 N LYS A 80 -9.825 -13.106 -12.308 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.155 -12.474 -13.479 1.00 0.00 C ATOM 1225 C LYS A 80 -9.655 -11.035 -13.635 1.00 0.00 C ATOM 1226 O LYS A 80 -10.777 -10.797 -14.037 1.00 0.00 O ATOM 1227 CB LYS A 80 -9.486 -13.269 -14.745 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.071 -14.628 -14.357 1.00 0.00 C ATOM 1229 CD LYS A 80 -10.013 -15.571 -15.560 1.00 0.00 C ATOM 1230 CE LYS A 80 -8.631 -16.225 -15.631 1.00 0.00 C ATOM 1231 NZ LYS A 80 -8.586 -17.170 -16.782 1.00 0.00 N ATOM 0 HA LYS A 80 -8.076 -12.470 -13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.198 -12.717 -15.358 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.587 -13.407 -15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.512 -15.051 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.102 -14.510 -14.023 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.785 -16.336 -15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.213 -15.019 -16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.861 -15.462 -15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.420 -16.756 -14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.647 -17.614 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.311 -17.905 -16.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.769 -16.651 -17.665 1.00 0.00 H new ATOM 1245 N LEU A 81 -8.831 -10.073 -13.321 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.260 -8.651 -13.452 1.00 0.00 C ATOM 1247 C LEU A 81 -8.353 -7.936 -14.457 1.00 0.00 C ATOM 1248 O LEU A 81 -7.269 -8.391 -14.761 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.156 -7.958 -12.091 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.588 -8.927 -10.988 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.364 -9.353 -10.175 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -10.593 -8.233 -10.065 1.00 0.00 C ATOM 0 H LEU A 81 -7.880 -10.210 -12.980 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.292 -8.614 -13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.132 -7.627 -11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.786 -7.069 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.051 -9.805 -11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.671 -10.043 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.646 -9.846 -10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.902 -8.474 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.901 -8.922 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.129 -7.355 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.466 -7.927 -10.642 1.00 0.00 H new ATOM 1264 N LEU A 82 -8.787 -6.818 -14.974 1.00 0.00 N ATOM 1265 CA LEU A 82 -7.947 -6.076 -15.957 1.00 0.00 C ATOM 1266 C LEU A 82 -7.238 -4.919 -15.252 1.00 0.00 C ATOM 1267 O LEU A 82 -7.853 -4.129 -14.561 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.836 -5.526 -17.075 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.189 -6.235 -17.042 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.093 -5.662 -18.135 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.983 -7.732 -17.282 1.00 0.00 C ATOM 0 H LEU A 82 -9.686 -6.387 -14.758 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.204 -6.751 -16.383 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.973 -4.452 -16.951 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.357 -5.677 -18.043 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.657 -6.083 -16.069 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.058 -6.168 -18.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.238 -4.595 -17.965 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.628 -5.814 -19.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.947 -8.240 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.516 -7.884 -18.255 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.339 -8.140 -16.503 1.00 0.00 H new ATOM 1283 N CYS A 83 -5.949 -4.813 -15.423 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.195 -3.710 -14.763 1.00 0.00 C ATOM 1285 C CYS A 83 -4.436 -2.896 -15.813 1.00 0.00 C ATOM 1286 O CYS A 83 -3.375 -3.282 -16.262 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.200 -4.300 -13.763 1.00 0.00 C ATOM 1288 SG CYS A 83 -2.910 -5.203 -14.657 1.00 0.00 S ATOM 0 H CYS A 83 -5.384 -5.444 -15.992 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.897 -3.059 -14.242 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.755 -3.505 -13.165 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.715 -4.968 -13.073 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.657 -4.599 -15.780 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.965 -1.767 -16.202 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.258 -0.928 -17.212 1.00 0.00 C ATOM 1296 C PHE A 84 -3.325 0.040 -16.481 1.00 0.00 C ATOM 1297 O PHE A 84 -3.508 0.327 -15.315 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.277 -0.146 -18.047 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.140 0.704 -17.144 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.148 0.110 -16.377 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -5.934 2.087 -17.080 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -7.952 0.899 -15.546 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.738 2.876 -16.248 1.00 0.00 C ATOM 1304 CZ PHE A 84 -7.747 2.282 -15.481 1.00 0.00 C ATOM 0 H PHE A 84 -5.852 -1.391 -15.866 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.678 -1.564 -17.880 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.760 0.485 -18.769 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.900 -0.836 -18.615 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.306 -0.957 -16.426 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.156 2.545 -17.672 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.731 0.440 -14.955 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.579 3.943 -16.198 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.367 2.891 -14.839 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.318 0.536 -17.147 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.373 1.469 -16.469 1.00 0.00 C ATOM 1316 C ASP A 85 -1.501 2.877 -17.057 1.00 0.00 C ATOM 1317 O ASP A 85 -2.170 3.091 -18.049 1.00 0.00 O ATOM 1318 CB ASP A 85 0.059 0.963 -16.662 1.00 0.00 C ATOM 1319 CG ASP A 85 1.036 2.135 -16.555 1.00 0.00 C ATOM 1320 OD1 ASP A 85 1.009 2.986 -17.428 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.794 2.162 -15.600 1.00 0.00 O ATOM 0 H ASP A 85 -2.109 0.337 -18.125 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.613 1.509 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.294 0.211 -15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.157 0.482 -17.635 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.857 3.835 -16.447 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.925 5.234 -16.956 1.00 0.00 C ATOM 1328 C ALA A 86 0.372 5.962 -16.593 1.00 0.00 C ATOM 1329 O ALA A 86 0.640 6.235 -15.441 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.113 5.954 -16.314 1.00 0.00 C ATOM 0 H ALA A 86 -0.284 3.707 -15.613 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.051 5.226 -18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.163 6.977 -16.686 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.035 5.431 -16.567 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.988 5.968 -15.231 1.00 0.00 H new ATOM 1336 N THR A 87 1.182 6.270 -17.569 1.00 0.00 N ATOM 1337 CA THR A 87 2.466 6.968 -17.278 1.00 0.00 C ATOM 1338 C THR A 87 2.347 8.451 -17.636 1.00 0.00 C ATOM 1339 O THR A 87 1.500 8.848 -18.411 1.00 0.00 O ATOM 1340 CB THR A 87 3.585 6.335 -18.106 1.00 0.00 C ATOM 1341 OG1 THR A 87 3.016 5.607 -19.187 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.401 5.390 -17.226 1.00 0.00 C ATOM 0 H THR A 87 1.010 6.069 -18.554 1.00 0.00 H new ATOM 0 HA THR A 87 2.693 6.873 -16.216 1.00 0.00 H new ATOM 0 HB THR A 87 4.237 7.117 -18.496 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.731 5.201 -19.721 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.198 4.940 -17.817 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.836 5.949 -16.397 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.752 4.606 -16.835 1.00 0.00 H new ATOM 1350 N MET A 88 3.195 9.272 -17.079 1.00 0.00 N ATOM 1351 CA MET A 88 3.139 10.729 -17.386 1.00 0.00 C ATOM 1352 C MET A 88 4.474 11.377 -17.014 1.00 0.00 C ATOM 1353 O MET A 88 4.870 11.392 -15.866 1.00 0.00 O ATOM 1354 CB MET A 88 2.013 11.381 -16.581 1.00 0.00 C ATOM 1355 CG MET A 88 1.906 12.860 -16.958 1.00 0.00 C ATOM 1356 SD MET A 88 1.367 13.814 -15.517 1.00 0.00 S ATOM 1357 CE MET A 88 -0.180 14.433 -16.222 1.00 0.00 C ATOM 0 H MET A 88 3.926 8.996 -16.423 1.00 0.00 H new ATOM 0 HA MET A 88 2.949 10.869 -18.450 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.069 10.875 -16.781 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.209 11.280 -15.514 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.870 13.227 -17.310 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.198 12.987 -17.777 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.788 14.877 -15.433 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.041 15.187 -16.978 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.726 13.609 -16.681 1.00 0.00 H new ATOM 1367 N GLN A 89 5.173 11.914 -17.978 1.00 0.00 N ATOM 1368 CA GLN A 89 6.482 12.559 -17.678 1.00 0.00 C ATOM 1369 C GLN A 89 6.240 13.924 -17.033 1.00 0.00 C ATOM 1370 O GLN A 89 5.570 14.773 -17.585 1.00 0.00 O ATOM 1371 CB GLN A 89 7.271 12.741 -18.977 1.00 0.00 C ATOM 1372 CG GLN A 89 7.100 11.501 -19.857 1.00 0.00 C ATOM 1373 CD GLN A 89 8.464 11.069 -20.399 1.00 0.00 C ATOM 1374 OE1 GLN A 89 9.337 11.889 -20.602 1.00 0.00 O ATOM 1375 NE2 GLN A 89 8.685 9.806 -20.642 1.00 0.00 N ATOM 0 H GLN A 89 4.894 11.933 -18.959 1.00 0.00 H new ATOM 0 HA GLN A 89 7.050 11.929 -16.994 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.920 13.627 -19.507 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.326 12.899 -18.755 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.653 10.691 -19.280 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.421 11.718 -20.682 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.952 9.118 -20.471 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.591 9.507 -21.003 1.00 0.00 H new ATOM 1384 N SER A 90 6.780 14.142 -15.865 1.00 0.00 N ATOM 1385 CA SER A 90 6.580 15.453 -15.186 1.00 0.00 C ATOM 1386 C SER A 90 7.705 15.683 -14.175 1.00 0.00 C ATOM 1387 O SER A 90 8.273 14.751 -13.642 1.00 0.00 O ATOM 1388 CB SER A 90 5.234 15.449 -14.460 1.00 0.00 C ATOM 1389 OG SER A 90 5.313 16.292 -13.318 1.00 0.00 O ATOM 0 H SER A 90 7.350 13.470 -15.352 1.00 0.00 H new ATOM 0 HA SER A 90 6.592 16.252 -15.928 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.446 15.796 -15.129 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.973 14.434 -14.160 1.00 0.00 H new ATOM 0 HG SER A 90 5.450 15.745 -12.517 1.00 0.00 H new ATOM 1395 N ALA A 91 8.029 16.918 -13.907 1.00 0.00 N ATOM 1396 CA ALA A 91 9.118 17.209 -12.932 1.00 0.00 C ATOM 1397 C ALA A 91 8.865 16.440 -11.634 1.00 0.00 C ATOM 1398 O ALA A 91 7.773 15.969 -11.382 1.00 0.00 O ATOM 1399 CB ALA A 91 9.149 18.709 -12.633 1.00 0.00 C ATOM 0 H ALA A 91 7.587 17.739 -14.321 1.00 0.00 H new ATOM 0 HA ALA A 91 10.073 16.901 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.946 18.921 -11.920 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.331 19.260 -13.556 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.192 19.016 -12.210 1.00 0.00 H new ATOM 1405 N LEU A 92 9.865 16.311 -10.806 1.00 0.00 N ATOM 1406 CA LEU A 92 9.683 15.576 -9.523 1.00 0.00 C ATOM 1407 C LEU A 92 9.291 16.565 -8.424 1.00 0.00 C ATOM 1408 O LEU A 92 10.104 17.331 -7.946 1.00 0.00 O ATOM 1409 CB LEU A 92 10.995 14.884 -9.145 1.00 0.00 C ATOM 1410 CG LEU A 92 10.814 14.108 -7.838 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.363 12.680 -8.147 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.146 14.069 -7.085 1.00 0.00 C ATOM 0 H LEU A 92 10.801 16.683 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 92 8.898 14.829 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.302 14.206 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.788 15.624 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 92 10.059 14.600 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.235 12.129 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.416 12.706 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.116 12.185 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.021 13.517 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.898 13.576 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.469 15.086 -6.864 1.00 0.00 H new ATOM 1424 N ASP A 93 8.049 16.557 -8.019 1.00 0.00 N ATOM 1425 CA ASP A 93 7.609 17.498 -6.951 1.00 0.00 C ATOM 1426 C ASP A 93 6.420 16.897 -6.197 1.00 0.00 C ATOM 1427 O ASP A 93 5.394 16.598 -6.775 1.00 0.00 O ATOM 1428 CB ASP A 93 7.193 18.828 -7.584 1.00 0.00 C ATOM 1429 CG ASP A 93 8.240 19.896 -7.262 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.390 20.219 -6.095 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.875 20.373 -8.188 1.00 0.00 O ATOM 0 H ASP A 93 7.322 15.940 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 93 8.431 17.667 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.094 18.714 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.218 19.134 -7.205 1.00 0.00 H new ATOM 1436 N ALA A 94 6.549 16.720 -4.911 1.00 0.00 N ATOM 1437 CA ALA A 94 5.426 16.140 -4.123 1.00 0.00 C ATOM 1438 C ALA A 94 4.125 16.858 -4.485 1.00 0.00 C ATOM 1439 O ALA A 94 3.216 16.274 -5.039 1.00 0.00 O ATOM 1440 CB ALA A 94 5.706 16.317 -2.629 1.00 0.00 C ATOM 0 H ALA A 94 7.383 16.952 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 94 5.332 15.079 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.884 15.893 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.633 15.806 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.800 17.378 -2.400 1.00 0.00 H new ATOM 1446 N LYS A 95 4.028 18.122 -4.174 1.00 0.00 N ATOM 1447 CA LYS A 95 2.785 18.878 -4.499 1.00 0.00 C ATOM 1448 C LYS A 95 2.280 18.457 -5.880 1.00 0.00 C ATOM 1449 O LYS A 95 1.219 17.880 -6.013 1.00 0.00 O ATOM 1450 CB LYS A 95 3.090 20.377 -4.502 1.00 0.00 C ATOM 1451 CG LYS A 95 4.170 20.676 -3.461 1.00 0.00 C ATOM 1452 CD LYS A 95 4.061 22.136 -3.015 1.00 0.00 C ATOM 1453 CE LYS A 95 5.152 22.437 -1.986 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.561 23.187 -0.842 1.00 0.00 N ATOM 0 H LYS A 95 4.756 18.664 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 95 2.021 18.663 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.426 20.689 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.186 20.944 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.056 20.013 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.158 20.486 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.164 22.799 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.078 22.323 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.601 21.508 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.949 23.022 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.302 23.392 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.153 24.080 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.815 22.613 -0.399 1.00 0.00 H new ATOM 1468 N LEU A 96 3.031 18.737 -6.910 1.00 0.00 N ATOM 1469 CA LEU A 96 2.591 18.348 -8.278 1.00 0.00 C ATOM 1470 C LEU A 96 1.994 16.940 -8.233 1.00 0.00 C ATOM 1471 O LEU A 96 0.865 16.720 -8.626 1.00 0.00 O ATOM 1472 CB LEU A 96 3.795 18.362 -9.224 1.00 0.00 C ATOM 1473 CG LEU A 96 3.353 18.817 -10.616 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.654 20.308 -10.784 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.116 18.022 -11.677 1.00 0.00 C ATOM 0 H LEU A 96 3.929 19.218 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 96 1.841 19.053 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.564 19.032 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.237 17.367 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 96 2.283 18.646 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.339 20.633 -11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.113 20.876 -10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.724 20.478 -10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.802 18.345 -12.670 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.186 18.194 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.904 16.959 -11.558 1.00 0.00 H new ATOM 1487 N ILE A 97 2.744 15.987 -7.752 1.00 0.00 N ATOM 1488 CA ILE A 97 2.223 14.593 -7.674 1.00 0.00 C ATOM 1489 C ILE A 97 0.897 14.591 -6.911 1.00 0.00 C ATOM 1490 O ILE A 97 0.048 13.748 -7.123 1.00 0.00 O ATOM 1491 CB ILE A 97 3.237 13.715 -6.938 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.473 13.517 -7.818 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.609 12.354 -6.630 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.688 13.230 -6.934 1.00 0.00 C ATOM 0 H ILE A 97 3.696 16.114 -7.409 1.00 0.00 H new ATOM 0 HA ILE A 97 2.065 14.202 -8.679 1.00 0.00 H new ATOM 0 HB ILE A 97 3.526 14.200 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.311 12.691 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.650 14.408 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.333 11.730 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.728 12.493 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.318 11.868 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.569 13.089 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.854 14.070 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.509 12.326 -6.351 1.00 0.00 H new ATOM 1506 N ASP A 98 0.713 15.529 -6.023 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.556 15.583 -5.246 1.00 0.00 C ATOM 1508 C ASP A 98 -1.703 15.989 -6.172 1.00 0.00 C ATOM 1509 O ASP A 98 -2.689 15.293 -6.296 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.422 16.611 -4.120 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.133 16.093 -2.868 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -0.528 15.320 -2.144 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -2.272 16.478 -2.656 1.00 0.00 O ATOM 0 H ASP A 98 1.388 16.261 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.763 14.602 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.631 16.794 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.854 17.563 -4.429 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.582 17.112 -6.825 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.667 17.560 -7.742 1.00 0.00 C ATOM 1520 C GLU A 99 -2.934 16.473 -8.786 1.00 0.00 C ATOM 1521 O GLU A 99 -4.053 16.278 -9.219 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.240 18.851 -8.443 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.851 19.895 -7.396 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.363 21.270 -7.829 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -1.757 21.856 -8.710 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -3.355 21.712 -7.273 1.00 0.00 O ATOM 0 H GLU A 99 -0.779 17.738 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.576 17.742 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.398 18.655 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.054 19.227 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.272 19.627 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.768 19.920 -7.277 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.918 15.764 -9.193 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.119 14.690 -10.206 1.00 0.00 C ATOM 1535 C GLN A 100 -2.914 13.543 -9.580 1.00 0.00 C ATOM 1536 O GLN A 100 -4.007 13.229 -10.007 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.758 14.174 -10.679 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.005 15.301 -11.390 1.00 0.00 C ATOM 1539 CD GLN A 100 0.957 14.704 -12.419 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.109 13.501 -12.500 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.617 15.500 -13.214 1.00 0.00 N ATOM 0 H GLN A 100 -0.958 15.881 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.670 15.090 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.178 13.814 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.892 13.329 -11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.711 15.970 -11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.547 15.898 -10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.489 16.510 -13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.261 15.113 -13.904 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.377 12.919 -8.569 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.109 11.797 -7.915 1.00 0.00 C ATOM 1552 C VAL A 101 -4.517 12.263 -7.542 1.00 0.00 C ATOM 1553 O VAL A 101 -5.489 11.567 -7.753 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.365 11.369 -6.649 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.274 10.482 -5.798 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.107 10.587 -7.035 1.00 0.00 C ATOM 0 H VAL A 101 -1.465 13.136 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.171 10.953 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.082 12.254 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.744 10.177 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.170 11.038 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.557 9.598 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.577 10.282 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.389 9.703 -7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.458 11.219 -7.641 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.630 13.437 -6.987 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.969 13.956 -6.596 1.00 0.00 C ATOM 1568 C GLU A 102 -6.892 13.960 -7.818 1.00 0.00 C ATOM 1569 O GLU A 102 -8.066 13.664 -7.721 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.824 15.381 -6.058 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.094 15.778 -5.303 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.570 17.148 -5.787 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -7.771 17.295 -6.982 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.726 18.028 -4.956 1.00 0.00 O ATOM 0 H GLU A 102 -3.849 14.062 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.396 13.318 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.961 15.444 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.646 16.074 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.873 15.033 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.898 15.807 -4.231 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.372 14.292 -8.968 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.223 14.313 -10.191 1.00 0.00 C ATOM 1583 C LYS A 103 -7.660 12.885 -10.529 1.00 0.00 C ATOM 1584 O LYS A 103 -8.800 12.639 -10.870 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.426 14.895 -11.360 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.654 16.407 -11.432 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.638 17.032 -12.391 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.531 18.532 -12.114 1.00 0.00 C ATOM 1589 NZ LYS A 103 -6.844 19.045 -11.633 1.00 0.00 N ATOM 0 H LYS A 103 -5.396 14.549 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.103 14.931 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.365 14.682 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.735 14.425 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.668 16.617 -11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.553 16.848 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.664 16.558 -12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.945 16.863 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.760 18.720 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.233 19.059 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.890 20.073 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.612 18.584 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.948 18.836 -10.619 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.764 11.940 -10.433 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.132 10.529 -10.744 1.00 0.00 C ATOM 1605 C LEU A 104 -8.094 10.007 -9.674 1.00 0.00 C ATOM 1606 O LEU A 104 -8.952 9.188 -9.940 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.870 9.662 -10.755 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.809 10.304 -11.650 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.728 9.273 -11.982 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.461 10.791 -12.946 1.00 0.00 C ATOM 0 H LEU A 104 -5.794 12.084 -10.153 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.612 10.487 -11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.485 9.551 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.108 8.662 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.359 11.149 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.972 9.731 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.262 8.924 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.179 8.428 -12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.705 11.249 -13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.912 9.946 -13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.231 11.526 -12.712 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.952 10.473 -8.464 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.848 10.008 -7.368 1.00 0.00 C ATOM 1624 C VAL A 105 -10.270 10.521 -7.606 1.00 0.00 C ATOM 1625 O VAL A 105 -11.237 9.826 -7.370 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.329 10.542 -6.032 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.334 10.222 -4.925 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.987 9.882 -5.710 1.00 0.00 C ATOM 0 H VAL A 105 -7.250 11.159 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.861 8.918 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.199 11.622 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.962 10.604 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.290 10.692 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.467 9.142 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.614 10.261 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.119 8.802 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.270 10.112 -6.498 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.405 11.733 -8.067 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.767 12.286 -8.312 1.00 0.00 C ATOM 1640 C ASN A 106 -12.421 11.548 -9.483 1.00 0.00 C ATOM 1641 O ASN A 106 -13.524 11.049 -9.378 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.660 13.776 -8.645 1.00 0.00 C ATOM 1643 CG ASN A 106 -10.532 14.403 -7.823 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -10.112 13.798 -6.746 1.00 0.00 O flip ATOM 1645 ND2 ASN A 106 -10.029 15.455 -8.163 1.00 0.00 N flip ATOM 0 H ASN A 106 -9.633 12.364 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.376 12.154 -7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.466 13.909 -9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.604 14.277 -8.428 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.357 15.928 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.279 15.865 -7.607 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.751 11.473 -10.601 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.337 10.768 -11.776 1.00 0.00 C ATOM 1654 C LEU A 107 -12.636 9.314 -11.404 1.00 0.00 C ATOM 1655 O LEU A 107 -13.726 8.821 -11.615 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.341 10.805 -12.938 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.940 10.094 -14.153 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -12.400 11.133 -15.176 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.879 9.191 -14.787 1.00 0.00 C ATOM 0 H LEU A 107 -10.823 11.870 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.262 11.262 -12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.100 11.838 -13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.408 10.323 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.792 9.491 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.827 10.627 -16.042 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.154 11.779 -14.725 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.548 11.735 -15.491 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.304 8.683 -15.653 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.028 9.795 -15.102 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.549 8.451 -14.058 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.675 8.625 -10.854 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.902 7.203 -10.471 1.00 0.00 C ATOM 1673 C ALA A 108 -13.237 7.074 -9.732 1.00 0.00 C ATOM 1674 O ALA A 108 -14.103 6.319 -10.125 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.767 6.737 -9.558 1.00 0.00 C ATOM 0 H ALA A 108 -10.742 8.985 -10.653 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.927 6.586 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.931 5.697 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.817 6.825 -10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.744 7.356 -8.661 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.408 7.802 -8.663 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.685 7.714 -7.899 1.00 0.00 C ATOM 1683 C GLU A 109 -15.832 8.275 -8.743 1.00 0.00 C ATOM 1684 O GLU A 109 -16.991 8.042 -8.463 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.563 8.520 -6.604 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.362 8.017 -5.800 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.408 6.490 -5.715 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.252 5.982 -4.994 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -12.601 5.855 -6.372 1.00 0.00 O ATOM 0 H GLU A 109 -12.720 8.453 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.890 6.670 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.443 9.579 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.475 8.422 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.434 8.338 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.375 8.448 -4.799 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.522 9.014 -9.773 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.598 9.588 -10.629 1.00 0.00 C ATOM 1698 C LYS A 110 -17.176 8.495 -11.532 1.00 0.00 C ATOM 1699 O LYS A 110 -18.292 8.594 -12.001 1.00 0.00 O ATOM 1700 CB LYS A 110 -16.021 10.711 -11.494 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.148 11.645 -11.937 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.640 12.564 -13.050 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.531 13.805 -13.136 1.00 0.00 C ATOM 1704 NZ LYS A 110 -18.956 13.406 -12.953 1.00 0.00 N ATOM 0 H LYS A 110 -14.570 9.245 -10.059 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.388 9.988 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.272 11.269 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.518 10.291 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.999 11.063 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.497 12.238 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.609 12.857 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.643 12.035 -14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.243 14.527 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.400 14.294 -14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.576 14.132 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.125 12.496 -13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.163 13.312 -11.938 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.427 7.457 -11.784 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.943 6.367 -12.661 1.00 0.00 C ATOM 1720 C PHE A 111 -17.261 5.129 -11.819 1.00 0.00 C ATOM 1721 O PHE A 111 -18.406 4.847 -11.526 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.890 6.015 -13.713 1.00 0.00 C ATOM 1723 CG PHE A 111 -16.035 6.944 -14.895 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -15.380 8.181 -14.899 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -16.827 6.568 -15.987 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -15.516 9.042 -15.995 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -16.964 7.428 -17.083 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.308 8.666 -17.087 1.00 0.00 C ATOM 0 H PHE A 111 -15.484 7.316 -11.423 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.853 6.706 -13.157 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.890 6.103 -13.287 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -16.010 4.980 -14.033 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -14.770 8.471 -14.057 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -17.333 5.614 -15.984 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -15.010 9.996 -15.998 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -17.575 7.137 -17.925 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.413 9.330 -17.932 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.263 4.386 -11.426 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.523 3.169 -10.605 1.00 0.00 C ATOM 1740 C ASP A 112 -15.255 2.315 -10.526 1.00 0.00 C ATOM 1741 O ASP A 112 -15.315 1.101 -10.498 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.648 2.355 -11.252 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.907 2.442 -10.390 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.802 2.210 -9.196 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.957 2.738 -10.937 1.00 0.00 O ATOM 0 H ASP A 112 -15.282 4.568 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.816 3.467 -9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.854 2.733 -12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.341 1.315 -11.361 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.107 2.934 -10.487 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.842 2.147 -10.407 1.00 0.00 C ATOM 1752 C ILE A 113 -12.092 2.511 -9.122 1.00 0.00 C ATOM 1753 O ILE A 113 -12.286 3.569 -8.558 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.965 2.464 -11.621 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.766 3.978 -11.728 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.649 1.952 -12.890 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.974 4.299 -12.997 1.00 0.00 C ATOM 0 H ILE A 113 -13.989 3.947 -10.507 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.077 1.083 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.997 1.977 -11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.732 4.482 -11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.235 4.349 -10.851 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -12.026 2.177 -13.755 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.792 0.874 -12.816 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.617 2.440 -13.004 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.832 5.377 -13.074 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.002 3.807 -12.954 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.523 3.942 -13.868 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.238 1.640 -8.655 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.477 1.933 -7.407 1.00 0.00 C ATOM 1771 C ILE A 114 -9.038 2.310 -7.765 1.00 0.00 C ATOM 1772 O ILE A 114 -8.318 1.541 -8.371 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.476 0.692 -6.510 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.357 0.805 -5.468 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.246 -0.555 -7.364 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.516 2.106 -4.679 1.00 0.00 C ATOM 0 H ILE A 114 -11.035 0.738 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.947 2.762 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.437 0.617 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.390 -0.049 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.385 0.784 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.245 -1.438 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.043 -0.642 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.286 -0.475 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.719 2.183 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.461 2.954 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.482 2.109 -4.173 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.613 3.486 -7.394 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.221 3.910 -7.713 1.00 0.00 C ATOM 1790 C TYR A 115 -6.324 3.668 -6.497 1.00 0.00 C ATOM 1791 O TYR A 115 -6.452 4.321 -5.480 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.211 5.400 -8.071 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.849 5.982 -7.784 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -5.566 6.515 -6.520 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -4.866 5.987 -8.780 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -4.302 7.053 -6.254 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.602 6.524 -8.515 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.319 7.057 -7.251 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.072 7.587 -6.988 1.00 0.00 O ATOM 0 H TYR A 115 -9.170 4.172 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.848 3.332 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.459 5.533 -9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.971 5.928 -7.495 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.324 6.511 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.084 5.576 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -4.085 7.465 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.844 6.528 -9.285 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.725 7.208 -6.154 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.417 2.734 -6.592 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.513 2.453 -5.440 1.00 0.00 C ATOM 1811 C ASP A 116 -3.267 1.713 -5.934 1.00 0.00 C ATOM 1812 O ASP A 116 -3.157 0.510 -5.803 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.246 1.588 -4.411 1.00 0.00 C ATOM 1814 CG ASP A 116 -6.098 0.543 -5.134 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -6.168 0.603 -6.351 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -6.664 -0.300 -4.459 1.00 0.00 O ATOM 0 H ASP A 116 -5.263 2.154 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.216 3.394 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.527 1.096 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.877 2.213 -3.779 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.330 2.422 -6.500 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.092 1.758 -7.000 1.00 0.00 C ATOM 1823 C GLY A 117 -0.261 2.765 -7.798 1.00 0.00 C ATOM 1824 O GLY A 117 -0.124 2.657 -9.000 1.00 0.00 O ATOM 0 H GLY A 117 -2.367 3.432 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.510 1.372 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.352 0.906 -7.628 1.00 0.00 H new ATOM 1828 N TRP A 118 0.296 3.745 -7.139 1.00 0.00 N ATOM 1829 CA TRP A 118 1.114 4.757 -7.864 1.00 0.00 C ATOM 1830 C TRP A 118 2.586 4.605 -7.470 1.00 0.00 C ATOM 1831 O TRP A 118 2.907 4.265 -6.348 1.00 0.00 O ATOM 1832 CB TRP A 118 0.612 6.166 -7.510 1.00 0.00 C ATOM 1833 CG TRP A 118 1.456 6.758 -6.423 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.199 6.663 -5.098 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.681 7.535 -6.549 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.191 7.332 -4.403 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.127 7.886 -5.253 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.442 7.964 -7.652 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.288 8.636 -5.058 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.610 8.719 -7.459 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.031 9.055 -6.165 1.00 0.00 C ATOM 0 H TRP A 118 0.220 3.888 -6.132 1.00 0.00 H new ATOM 0 HA TRP A 118 1.020 4.605 -8.939 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.644 6.804 -8.393 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.428 6.119 -7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.358 6.150 -4.656 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.226 7.407 -3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.126 7.711 -8.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.610 8.891 -4.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.187 9.043 -8.312 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.929 9.638 -6.023 1.00 0.00 H new ATOM 1852 N GLY A 119 3.483 4.856 -8.384 1.00 0.00 N ATOM 1853 CA GLY A 119 4.932 4.727 -8.061 1.00 0.00 C ATOM 1854 C GLY A 119 5.759 5.430 -9.140 1.00 0.00 C ATOM 1855 O GLY A 119 5.236 5.894 -10.133 1.00 0.00 O ATOM 0 H GLY A 119 3.275 5.145 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.139 5.166 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.210 3.675 -8.002 1.00 0.00 H new ATOM 1859 N THR A 120 7.048 5.512 -8.953 1.00 0.00 N ATOM 1860 CA THR A 120 7.906 6.184 -9.969 1.00 0.00 C ATOM 1861 C THR A 120 9.239 5.442 -10.087 1.00 0.00 C ATOM 1862 O THR A 120 9.553 4.578 -9.293 1.00 0.00 O ATOM 1863 CB THR A 120 8.163 7.632 -9.544 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.337 8.110 -10.187 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.348 7.698 -8.028 1.00 0.00 C ATOM 0 H THR A 120 7.543 5.143 -8.141 1.00 0.00 H new ATOM 0 HA THR A 120 7.399 6.173 -10.934 1.00 0.00 H new ATOM 0 HB THR A 120 7.312 8.251 -9.830 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.503 9.038 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.531 8.730 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.448 7.331 -7.535 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.198 7.080 -7.738 1.00 0.00 H new ATOM 1873 N TYR A 121 10.027 5.773 -11.074 1.00 0.00 N ATOM 1874 CA TYR A 121 11.339 5.087 -11.244 1.00 0.00 C ATOM 1875 C TYR A 121 12.451 6.134 -11.343 1.00 0.00 C ATOM 1876 O TYR A 121 12.336 7.109 -12.059 1.00 0.00 O ATOM 1877 CB TYR A 121 11.315 4.251 -12.525 1.00 0.00 C ATOM 1878 CG TYR A 121 11.080 2.800 -12.178 1.00 0.00 C ATOM 1879 CD1 TYR A 121 9.865 2.403 -11.607 1.00 0.00 C ATOM 1880 CD2 TYR A 121 12.079 1.851 -12.429 1.00 0.00 C ATOM 1881 CE1 TYR A 121 9.648 1.058 -11.288 1.00 0.00 C ATOM 1882 CE2 TYR A 121 11.862 0.506 -12.110 1.00 0.00 C ATOM 1883 CZ TYR A 121 10.647 0.109 -11.540 1.00 0.00 C ATOM 1884 OH TYR A 121 10.432 -1.217 -11.226 1.00 0.00 O ATOM 0 H TYR A 121 9.818 6.489 -11.770 1.00 0.00 H new ATOM 0 HA TYR A 121 11.523 4.438 -10.388 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.529 4.608 -13.190 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.259 4.359 -13.060 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.095 3.135 -11.413 1.00 0.00 H new ATOM 0 HD2 TYR A 121 13.017 2.157 -12.869 1.00 0.00 H new ATOM 0 HE1 TYR A 121 8.711 0.752 -10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 121 12.632 -0.226 -12.304 1.00 0.00 H new ATOM 0 HH TYR A 121 11.224 -1.742 -11.466 1.00 0.00 H new