USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-4.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -170:sc= -0.943 (180deg=-1.06) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= -0.7! (180deg=-2.56!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.0892 (180deg=0.0688) USER MOD Single : A 36 MET CE :methyl 139:sc= -3.25 (180deg=-7.07!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0425 USER MOD Single : A 52 ASN : amide:sc= -5.03 K(o=-5,f=-12!) USER MOD Single : A 55 MET CE :methyl -140:sc= -1.9 (180deg=-4.45!) USER MOD Single : A 60 GLN : amide:sc= -3.04! C(o=-3!,f=-2.9!) USER MOD Single : A 65 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4.1!) USER MOD Single : A 72 MET CE :methyl -155:sc= -1.12 (180deg=-2.56!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.711 -3.795 -3.424 1.00 0.00 N ATOM 149 CA PHE A 13 10.119 -3.011 -2.265 1.00 0.00 C ATOM 150 C PHE A 13 8.903 -2.524 -1.482 1.00 0.00 C ATOM 151 O PHE A 13 7.849 -2.252 -2.056 1.00 0.00 O ATOM 152 CB PHE A 13 10.969 -1.816 -2.704 1.00 0.00 C ATOM 153 CG PHE A 13 10.174 -0.727 -3.366 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.377 0.122 -2.615 1.00 0.00 C ATOM 155 CD2 PHE A 13 10.225 -0.552 -4.740 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.645 1.124 -3.222 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.495 0.449 -5.352 1.00 0.00 C ATOM 158 CZ PHE A 13 8.704 1.289 -4.592 1.00 0.00 C ATOM 0 HA PHE A 13 10.714 -3.653 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.480 -1.404 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.740 -2.162 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.328 -0.001 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.842 -1.205 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.027 1.778 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.543 0.575 -6.424 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.133 2.073 -5.068 1.00 0.00 H new ATOM 168 N THR A 14 9.058 -2.418 -0.165 1.00 0.00 N ATOM 169 CA THR A 14 7.974 -1.966 0.698 1.00 0.00 C ATOM 170 C THR A 14 8.026 -0.457 0.901 1.00 0.00 C ATOM 171 O THR A 14 9.045 0.181 0.636 1.00 0.00 O ATOM 172 CB THR A 14 8.024 -2.660 2.072 1.00 0.00 C ATOM 173 OG1 THR A 14 9.288 -2.415 2.699 1.00 0.00 O ATOM 174 CG2 THR A 14 7.805 -4.159 1.930 1.00 0.00 C ATOM 0 H THR A 14 9.924 -2.639 0.326 1.00 0.00 H new ATOM 0 HA THR A 14 7.041 -2.230 0.199 1.00 0.00 H new ATOM 0 HB THR A 14 7.226 -2.249 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.311 -2.858 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.845 -4.627 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.830 -4.343 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.584 -4.582 1.295 1.00 0.00 H new ATOM 182 N VAL A 15 6.920 0.110 1.373 1.00 0.00 N ATOM 183 CA VAL A 15 6.840 1.546 1.614 1.00 0.00 C ATOM 184 C VAL A 15 6.492 1.841 3.069 1.00 0.00 C ATOM 185 O VAL A 15 5.689 1.137 3.681 1.00 0.00 O ATOM 186 CB VAL A 15 5.791 2.211 0.702 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.723 3.707 0.969 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.107 1.935 -0.760 1.00 0.00 C ATOM 0 H VAL A 15 6.067 -0.403 1.596 1.00 0.00 H new ATOM 0 HA VAL A 15 7.823 1.960 1.387 1.00 0.00 H new ATOM 0 HB VAL A 15 4.814 1.782 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.977 4.160 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.447 3.879 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.697 4.156 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.357 2.412 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.092 2.336 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.100 0.860 -0.937 1.00 0.00 H new ATOM 198 N ASP A 16 7.102 2.887 3.617 1.00 0.00 N ATOM 199 CA ASP A 16 6.856 3.277 5.000 1.00 0.00 C ATOM 200 C ASP A 16 6.673 4.787 5.115 1.00 0.00 C ATOM 201 O ASP A 16 7.611 5.554 4.899 1.00 0.00 O ATOM 202 CB ASP A 16 8.011 2.821 5.894 1.00 0.00 C ATOM 203 CG ASP A 16 7.752 3.100 7.361 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.753 4.287 7.749 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.547 2.131 8.122 1.00 0.00 O ATOM 0 H ASP A 16 7.770 3.480 3.124 1.00 0.00 H new ATOM 0 HA ASP A 16 5.937 2.792 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.175 1.753 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.926 3.327 5.587 1.00 0.00 H new ATOM 210 N MET A 17 5.458 5.206 5.454 1.00 0.00 N ATOM 211 CA MET A 17 5.152 6.625 5.597 1.00 0.00 C ATOM 212 C MET A 17 4.119 6.850 6.696 1.00 0.00 C ATOM 213 O MET A 17 3.659 5.901 7.331 1.00 0.00 O ATOM 214 CB MET A 17 4.637 7.193 4.273 1.00 0.00 C ATOM 215 CG MET A 17 5.064 6.386 3.058 1.00 0.00 C ATOM 216 SD MET A 17 4.476 7.099 1.509 1.00 0.00 S ATOM 217 CE MET A 17 2.707 7.100 1.787 1.00 0.00 C ATOM 0 H MET A 17 4.670 4.584 5.635 1.00 0.00 H new ATOM 0 HA MET A 17 6.070 7.143 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.548 7.237 4.305 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.995 8.217 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.152 6.321 3.034 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.686 5.368 3.152 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.193 7.344 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.392 6.114 2.128 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.458 7.843 2.545 1.00 0.00 H new ATOM 227 N GLU A 18 3.761 8.111 6.917 1.00 0.00 N ATOM 228 CA GLU A 18 2.783 8.459 7.941 1.00 0.00 C ATOM 229 C GLU A 18 1.639 9.274 7.346 1.00 0.00 C ATOM 230 O GLU A 18 1.661 9.630 6.168 1.00 0.00 O ATOM 231 CB GLU A 18 3.453 9.247 9.070 1.00 0.00 C ATOM 232 CG GLU A 18 3.947 8.374 10.211 1.00 0.00 C ATOM 233 CD GLU A 18 5.154 8.963 10.914 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.063 9.461 10.218 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.190 8.925 12.162 1.00 0.00 O ATOM 0 H GLU A 18 4.133 8.908 6.401 1.00 0.00 H new ATOM 0 HA GLU A 18 2.374 7.534 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.294 9.807 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.745 9.977 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.142 8.236 10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.202 7.387 9.825 1.00 0.00 H new ATOM 242 N LYS A 19 0.638 9.566 8.170 1.00 0.00 N ATOM 243 CA LYS A 19 -0.516 10.340 7.729 1.00 0.00 C ATOM 244 C LYS A 19 -0.136 11.798 7.493 1.00 0.00 C ATOM 245 O LYS A 19 0.897 12.265 7.970 1.00 0.00 O ATOM 246 CB LYS A 19 -1.640 10.255 8.764 1.00 0.00 C ATOM 247 CG LYS A 19 -3.031 10.324 8.160 1.00 0.00 C ATOM 248 CD LYS A 19 -3.586 8.938 7.877 1.00 0.00 C ATOM 249 CE LYS A 19 -4.466 8.447 9.016 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.251 7.242 8.630 1.00 0.00 N ATOM 0 H LYS A 19 0.603 9.278 9.148 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.866 9.918 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.541 9.323 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.524 11.068 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.698 10.852 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.999 10.900 7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.163 8.958 6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.763 8.240 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.845 8.214 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.147 9.243 9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.239 7.359 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.218 7.122 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.845 6.402 9.089 1.00 0.00 H new ATOM 330 N GLY A 25 -1.033 11.934 2.385 1.00 0.00 N ATOM 331 CA GLY A 25 -0.962 12.731 1.175 1.00 0.00 C ATOM 332 C GLY A 25 -0.759 11.885 -0.066 1.00 0.00 C ATOM 333 O GLY A 25 0.120 12.166 -0.881 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.880 13.309 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.143 13.445 1.262 1.00 0.00 H new ATOM 337 N PHE A 26 -1.573 10.844 -0.210 1.00 0.00 N ATOM 338 CA PHE A 26 -1.476 9.952 -1.360 1.00 0.00 C ATOM 339 C PHE A 26 -2.821 9.290 -1.649 1.00 0.00 C ATOM 340 O PHE A 26 -3.519 8.854 -0.734 1.00 0.00 O ATOM 341 CB PHE A 26 -0.411 8.881 -1.114 1.00 0.00 C ATOM 342 CG PHE A 26 -0.959 7.615 -0.522 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.847 6.828 -1.237 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.586 7.210 0.750 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.354 5.662 -0.694 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.089 6.045 1.298 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.973 5.270 0.574 1.00 0.00 C ATOM 0 H PHE A 26 -2.306 10.598 0.455 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.189 10.547 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.082 8.647 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.351 9.284 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.147 7.129 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.106 7.812 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.047 5.058 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.791 5.741 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.366 4.358 0.999 1.00 0.00 H new ATOM 357 N SER A 27 -3.176 9.220 -2.928 1.00 0.00 N ATOM 358 CA SER A 27 -4.438 8.616 -3.338 1.00 0.00 C ATOM 359 C SER A 27 -4.195 7.393 -4.217 1.00 0.00 C ATOM 360 O SER A 27 -3.109 7.220 -4.771 1.00 0.00 O ATOM 361 CB SER A 27 -5.295 9.636 -4.090 1.00 0.00 C ATOM 362 OG SER A 27 -6.635 9.189 -4.208 1.00 0.00 O ATOM 0 H SER A 27 -2.608 9.574 -3.698 1.00 0.00 H new ATOM 0 HA SER A 27 -4.968 8.297 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.272 10.592 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.877 9.806 -5.082 1.00 0.00 H new ATOM 0 HG SER A 27 -7.162 9.859 -4.691 1.00 0.00 H new ATOM 368 N ILE A 28 -5.213 6.548 -4.339 1.00 0.00 N ATOM 369 CA ILE A 28 -5.111 5.342 -5.151 1.00 0.00 C ATOM 370 C ILE A 28 -6.179 5.319 -6.239 1.00 0.00 C ATOM 371 O ILE A 28 -7.092 6.145 -6.244 1.00 0.00 O ATOM 372 CB ILE A 28 -5.243 4.071 -4.290 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.055 4.367 -3.027 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.868 3.531 -3.929 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.516 3.123 -2.300 1.00 0.00 C ATOM 0 H ILE A 28 -6.118 6.676 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.125 5.356 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.769 3.311 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.451 4.971 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.926 4.964 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.978 2.633 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.322 3.287 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.317 4.285 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.085 3.408 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.147 2.528 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.649 2.535 -1.999 1.00 0.00 H new ATOM 387 N ARG A 29 -6.059 4.367 -7.159 1.00 0.00 N ATOM 388 CA ARG A 29 -7.014 4.236 -8.252 1.00 0.00 C ATOM 389 C ARG A 29 -7.204 2.772 -8.636 1.00 0.00 C ATOM 390 O ARG A 29 -6.375 1.922 -8.311 1.00 0.00 O ATOM 391 CB ARG A 29 -6.544 5.037 -9.468 1.00 0.00 C ATOM 392 CG ARG A 29 -5.672 4.237 -10.423 1.00 0.00 C ATOM 393 CD ARG A 29 -6.503 3.564 -11.504 1.00 0.00 C ATOM 394 NE ARG A 29 -5.755 3.401 -12.747 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.631 4.357 -13.661 1.00 0.00 C ATOM 396 NH1 ARG A 29 -6.203 5.538 -13.472 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.934 4.133 -14.768 1.00 0.00 N ATOM 0 H ARG A 29 -5.309 3.675 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.971 4.632 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.416 5.407 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.988 5.909 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.937 4.896 -10.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.118 3.482 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.836 2.588 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.398 4.156 -11.695 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.303 2.504 -12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.740 5.715 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.106 6.270 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.493 3.226 -14.918 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.840 4.868 -15.469 1.00 0.00 H new ATOM 411 N GLY A 30 -8.301 2.484 -9.329 1.00 0.00 N ATOM 412 CA GLY A 30 -8.580 1.122 -9.746 1.00 0.00 C ATOM 413 C GLY A 30 -9.147 0.277 -8.622 1.00 0.00 C ATOM 414 O GLY A 30 -9.585 0.803 -7.600 1.00 0.00 O ATOM 0 H GLY A 30 -9.002 3.170 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.285 1.137 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.663 0.663 -10.115 1.00 0.00 H new ATOM 418 N GLY A 31 -9.141 -1.039 -8.812 1.00 0.00 N ATOM 419 CA GLY A 31 -9.663 -1.937 -7.799 1.00 0.00 C ATOM 420 C GLY A 31 -10.627 -2.958 -8.370 1.00 0.00 C ATOM 421 O GLY A 31 -10.898 -2.962 -9.571 1.00 0.00 O ATOM 0 H GLY A 31 -8.784 -1.499 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.835 -2.455 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.169 -1.355 -7.028 1.00 0.00 H new ATOM 425 N ARG A 32 -11.144 -3.829 -7.509 1.00 0.00 N ATOM 426 CA ARG A 32 -12.080 -4.861 -7.936 1.00 0.00 C ATOM 427 C ARG A 32 -13.345 -4.240 -8.522 1.00 0.00 C ATOM 428 O ARG A 32 -14.070 -4.884 -9.279 1.00 0.00 O ATOM 429 CB ARG A 32 -12.443 -5.768 -6.759 1.00 0.00 C ATOM 430 CG ARG A 32 -11.507 -6.955 -6.593 1.00 0.00 C ATOM 431 CD ARG A 32 -11.701 -7.976 -7.702 1.00 0.00 C ATOM 432 NE ARG A 32 -13.001 -8.636 -7.618 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.598 -9.219 -8.652 1.00 0.00 C ATOM 434 NH1 ARG A 32 -13.014 -9.225 -9.842 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.781 -9.799 -8.495 1.00 0.00 N ATOM 0 H ARG A 32 -10.930 -3.840 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.596 -5.457 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.436 -5.179 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.461 -6.135 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.474 -6.608 -6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.684 -7.427 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.607 -7.483 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.910 -8.724 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.477 -8.650 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.104 -8.781 -9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.475 -9.673 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.232 -9.797 -7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.239 -10.246 -9.289 1.00 0.00 H new ATOM 449 N GLU A 33 -13.602 -2.985 -8.165 1.00 0.00 N ATOM 450 CA GLU A 33 -14.779 -2.278 -8.655 1.00 0.00 C ATOM 451 C GLU A 33 -14.671 -2.014 -10.154 1.00 0.00 C ATOM 452 O GLU A 33 -15.673 -2.009 -10.869 1.00 0.00 O ATOM 453 CB GLU A 33 -14.957 -0.957 -7.904 1.00 0.00 C ATOM 454 CG GLU A 33 -16.317 -0.314 -8.118 1.00 0.00 C ATOM 455 CD GLU A 33 -17.458 -1.303 -7.982 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.671 -1.814 -6.863 1.00 0.00 O ATOM 457 OE2 GLU A 33 -18.139 -1.565 -8.996 1.00 0.00 O ATOM 0 H GLU A 33 -13.011 -2.438 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.650 -2.909 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.811 -1.132 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.181 -0.261 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.451 0.492 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.349 0.138 -9.109 1.00 0.00 H new ATOM 464 N TYR A 34 -13.447 -1.793 -10.622 1.00 0.00 N ATOM 465 CA TYR A 34 -13.207 -1.524 -12.035 1.00 0.00 C ATOM 466 C TYR A 34 -12.475 -2.689 -12.694 1.00 0.00 C ATOM 467 O TYR A 34 -12.061 -2.604 -13.851 1.00 0.00 O ATOM 468 CB TYR A 34 -12.395 -0.238 -12.200 1.00 0.00 C ATOM 469 CG TYR A 34 -12.775 0.847 -11.219 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.887 1.650 -11.437 1.00 0.00 C ATOM 471 CD2 TYR A 34 -12.020 1.071 -10.074 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.237 2.644 -10.544 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.363 2.061 -9.174 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.472 2.845 -9.413 1.00 0.00 C ATOM 475 OH TYR A 34 -13.817 3.834 -8.520 1.00 0.00 O ATOM 0 H TYR A 34 -12.607 -1.795 -10.044 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.173 -1.401 -12.525 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.336 -0.469 -12.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.528 0.138 -13.214 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.489 1.495 -12.320 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.150 0.460 -9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.104 3.260 -10.730 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.766 2.220 -8.288 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.177 3.843 -7.778 1.00 0.00 H new ATOM 485 N LYS A 35 -12.320 -3.779 -11.950 1.00 0.00 N ATOM 486 CA LYS A 35 -11.640 -4.964 -12.460 1.00 0.00 C ATOM 487 C LYS A 35 -10.200 -4.641 -12.848 1.00 0.00 C ATOM 488 O LYS A 35 -9.750 -4.985 -13.940 1.00 0.00 O ATOM 489 CB LYS A 35 -12.391 -5.527 -13.669 1.00 0.00 C ATOM 490 CG LYS A 35 -13.794 -6.008 -13.343 1.00 0.00 C ATOM 491 CD LYS A 35 -14.815 -4.893 -13.491 1.00 0.00 C ATOM 492 CE LYS A 35 -16.203 -5.348 -13.070 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.450 -5.106 -11.621 1.00 0.00 N ATOM 0 H LYS A 35 -12.656 -3.866 -10.991 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.625 -5.713 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.449 -4.759 -14.440 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.820 -6.356 -14.087 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.059 -6.834 -14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.820 -6.393 -12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.512 -4.038 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.840 -4.557 -14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.953 -4.820 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.318 -6.410 -13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.451 -5.286 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.854 -5.744 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.218 -4.119 -11.389 1.00 0.00 H new ATOM 507 N MET A 36 -9.483 -3.979 -11.945 1.00 0.00 N ATOM 508 CA MET A 36 -8.094 -3.613 -12.192 1.00 0.00 C ATOM 509 C MET A 36 -7.327 -3.472 -10.881 1.00 0.00 C ATOM 510 O MET A 36 -7.924 -3.309 -9.817 1.00 0.00 O ATOM 511 CB MET A 36 -8.022 -2.305 -12.982 1.00 0.00 C ATOM 512 CG MET A 36 -8.708 -1.138 -12.290 1.00 0.00 C ATOM 513 SD MET A 36 -9.237 0.141 -13.445 1.00 0.00 S ATOM 514 CE MET A 36 -8.093 1.458 -13.038 1.00 0.00 C ATOM 0 H MET A 36 -9.841 -3.686 -11.036 1.00 0.00 H new ATOM 0 HA MET A 36 -7.633 -4.409 -12.778 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.976 -2.051 -13.154 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.478 -2.456 -13.960 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.574 -1.505 -11.739 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.027 -0.703 -11.559 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.754 1.941 -13.954 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.593 2.191 -12.405 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.236 1.044 -12.507 1.00 0.00 H new ATOM 524 N ASP A 37 -6.003 -3.536 -10.966 1.00 0.00 N ATOM 525 CA ASP A 37 -5.154 -3.415 -9.786 1.00 0.00 C ATOM 526 C ASP A 37 -5.236 -2.009 -9.200 1.00 0.00 C ATOM 527 O ASP A 37 -5.824 -1.108 -9.801 1.00 0.00 O ATOM 528 CB ASP A 37 -3.704 -3.751 -10.138 1.00 0.00 C ATOM 529 CG ASP A 37 -3.596 -4.928 -11.086 1.00 0.00 C ATOM 530 OD1 ASP A 37 -4.099 -4.821 -12.224 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.010 -5.958 -10.690 1.00 0.00 O ATOM 0 H ASP A 37 -5.494 -3.671 -11.840 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.511 -4.122 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.232 -2.879 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.153 -3.973 -9.224 1.00 0.00 H new ATOM 536 N LEU A 38 -4.644 -1.827 -8.025 1.00 0.00 N ATOM 537 CA LEU A 38 -4.650 -0.531 -7.357 1.00 0.00 C ATOM 538 C LEU A 38 -3.381 0.252 -7.676 1.00 0.00 C ATOM 539 O LEU A 38 -2.272 -0.199 -7.389 1.00 0.00 O ATOM 540 CB LEU A 38 -4.783 -0.715 -5.844 1.00 0.00 C ATOM 541 CG LEU A 38 -6.141 -1.210 -5.345 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.974 -2.047 -4.087 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.075 -0.037 -5.088 1.00 0.00 C ATOM 0 H LEU A 38 -4.153 -2.561 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.506 0.035 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.019 -1.419 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.567 0.238 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.584 -1.838 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.951 -2.391 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.342 -2.908 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.510 -1.443 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.037 -0.408 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.638 0.617 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.220 0.522 -6.013 1.00 0.00 H new ATOM 555 N TYR A 39 -3.551 1.429 -8.269 1.00 0.00 N ATOM 556 CA TYR A 39 -2.419 2.275 -8.626 1.00 0.00 C ATOM 557 C TYR A 39 -2.521 3.638 -7.947 1.00 0.00 C ATOM 558 O TYR A 39 -3.602 4.060 -7.537 1.00 0.00 O ATOM 559 CB TYR A 39 -2.348 2.453 -10.144 1.00 0.00 C ATOM 560 CG TYR A 39 -2.679 1.197 -10.917 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.995 0.780 -11.073 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.676 0.426 -11.491 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.303 -0.367 -11.778 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.974 -0.722 -12.199 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.288 -1.115 -12.340 1.00 0.00 C ATOM 566 OH TYR A 39 -3.589 -2.258 -13.043 1.00 0.00 O ATOM 0 H TYR A 39 -4.462 1.818 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.509 1.785 -8.281 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.036 3.244 -10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.346 2.783 -10.416 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.792 1.363 -10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.645 0.729 -11.382 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.332 -0.677 -11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.182 -1.309 -12.640 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.762 -2.666 -13.374 1.00 0.00 H new ATOM 576 N VAL A 40 -1.387 4.321 -7.833 1.00 0.00 N ATOM 577 CA VAL A 40 -1.347 5.637 -7.206 1.00 0.00 C ATOM 578 C VAL A 40 -1.994 6.691 -8.098 1.00 0.00 C ATOM 579 O VAL A 40 -1.444 7.066 -9.134 1.00 0.00 O ATOM 580 CB VAL A 40 0.099 6.064 -6.891 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.117 7.419 -6.200 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.791 5.012 -6.037 1.00 0.00 C ATOM 0 H VAL A 40 -0.483 3.985 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.907 5.561 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 40 0.645 6.154 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.147 7.704 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.338 8.165 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.445 7.360 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.812 5.330 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.247 4.888 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.811 4.063 -6.574 1.00 0.00 H new ATOM 592 N LEU A 41 -3.165 7.166 -7.688 1.00 0.00 N ATOM 593 CA LEU A 41 -3.888 8.178 -8.450 1.00 0.00 C ATOM 594 C LEU A 41 -3.089 9.475 -8.528 1.00 0.00 C ATOM 595 O LEU A 41 -2.776 9.958 -9.616 1.00 0.00 O ATOM 596 CB LEU A 41 -5.253 8.445 -7.813 1.00 0.00 C ATOM 597 CG LEU A 41 -6.235 9.265 -8.650 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.691 10.665 -8.892 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.523 8.567 -9.971 1.00 0.00 C ATOM 0 H LEU A 41 -3.634 6.867 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.033 7.801 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.717 7.486 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.095 8.961 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.170 9.351 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.403 11.234 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.537 11.166 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.742 10.600 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.224 9.165 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.595 8.449 -10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.957 7.586 -9.777 1.00 0.00 H new ATOM 611 N ARG A 42 -2.760 10.032 -7.367 1.00 0.00 N ATOM 612 CA ARG A 42 -1.996 11.272 -7.304 1.00 0.00 C ATOM 613 C ARG A 42 -1.262 11.392 -5.972 1.00 0.00 C ATOM 614 O ARG A 42 -1.676 10.810 -4.968 1.00 0.00 O ATOM 615 CB ARG A 42 -2.919 12.476 -7.500 1.00 0.00 C ATOM 616 CG ARG A 42 -2.438 13.734 -6.796 1.00 0.00 C ATOM 617 CD ARG A 42 -2.854 13.748 -5.333 1.00 0.00 C ATOM 618 NE ARG A 42 -4.176 14.340 -5.146 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.389 15.648 -5.059 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.374 16.496 -5.143 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.621 16.110 -4.889 1.00 0.00 N ATOM 0 H ARG A 42 -3.011 9.644 -6.457 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.258 11.255 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.014 12.680 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.914 12.223 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.352 13.799 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.844 14.612 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.855 12.729 -4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.121 14.308 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.979 13.715 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.426 16.145 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.541 17.500 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.405 15.461 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.784 17.115 -4.822 1.00 0.00 H new ATOM 635 N LEU A 43 -0.170 12.148 -5.970 1.00 0.00 N ATOM 636 CA LEU A 43 0.623 12.344 -4.761 1.00 0.00 C ATOM 637 C LEU A 43 0.550 13.794 -4.291 1.00 0.00 C ATOM 638 O LEU A 43 0.589 14.721 -5.099 1.00 0.00 O ATOM 639 CB LEU A 43 2.079 11.950 -5.013 1.00 0.00 C ATOM 640 CG LEU A 43 2.443 10.496 -4.713 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.945 10.287 -4.825 1.00 0.00 C ATOM 642 CD2 LEU A 43 1.949 10.097 -3.330 1.00 0.00 C ATOM 0 H LEU A 43 0.187 12.635 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 43 0.211 11.707 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.314 12.154 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.718 12.595 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 43 1.953 9.860 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.185 9.246 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.272 10.532 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.456 10.933 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.217 9.059 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.410 10.739 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.865 10.207 -3.285 1.00 0.00 H new ATOM 654 N ALA A 44 0.447 13.980 -2.979 1.00 0.00 N ATOM 655 CA ALA A 44 0.373 15.317 -2.402 1.00 0.00 C ATOM 656 C ALA A 44 1.759 15.943 -2.289 1.00 0.00 C ATOM 657 O ALA A 44 2.603 15.470 -1.529 1.00 0.00 O ATOM 658 CB ALA A 44 -0.298 15.265 -1.037 1.00 0.00 C ATOM 0 H ALA A 44 0.413 13.223 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.226 15.941 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.347 16.270 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.307 14.866 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.279 14.622 -0.372 1.00 0.00 H new ATOM 664 N GLU A 45 1.986 17.008 -3.051 1.00 0.00 N ATOM 665 CA GLU A 45 3.271 17.697 -3.037 1.00 0.00 C ATOM 666 C GLU A 45 3.590 18.223 -1.640 1.00 0.00 C ATOM 667 O GLU A 45 4.743 18.522 -1.327 1.00 0.00 O ATOM 668 CB GLU A 45 3.266 18.853 -4.040 1.00 0.00 C ATOM 669 CG GLU A 45 2.254 19.938 -3.714 1.00 0.00 C ATOM 670 CD GLU A 45 2.333 21.115 -4.667 1.00 0.00 C ATOM 671 OE1 GLU A 45 1.677 21.065 -5.728 1.00 0.00 O ATOM 672 OE2 GLU A 45 3.052 22.086 -4.351 1.00 0.00 O ATOM 0 H GLU A 45 1.297 17.412 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 45 4.042 16.981 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.261 19.296 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.056 18.459 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.250 19.515 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.418 20.289 -2.695 1.00 0.00 H new ATOM 679 N ASP A 46 2.562 18.334 -0.807 1.00 0.00 N ATOM 680 CA ASP A 46 2.732 18.824 0.556 1.00 0.00 C ATOM 681 C ASP A 46 2.392 17.736 1.570 1.00 0.00 C ATOM 682 O ASP A 46 2.098 18.024 2.730 1.00 0.00 O ATOM 683 CB ASP A 46 1.852 20.052 0.794 1.00 0.00 C ATOM 684 CG ASP A 46 0.443 19.683 1.214 1.00 0.00 C ATOM 685 OD1 ASP A 46 -0.192 18.872 0.509 1.00 0.00 O ATOM 686 OD2 ASP A 46 -0.024 20.205 2.247 1.00 0.00 O ATOM 0 H ASP A 46 1.602 18.091 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 46 3.777 19.105 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.305 20.676 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.812 20.648 -0.117 1.00 0.00 H new ATOM 691 N GLY A 47 2.435 16.484 1.125 1.00 0.00 N ATOM 692 CA GLY A 47 2.128 15.372 2.005 1.00 0.00 C ATOM 693 C GLY A 47 3.363 14.587 2.400 1.00 0.00 C ATOM 694 O GLY A 47 4.444 14.764 1.836 1.00 0.00 O ATOM 0 H GLY A 47 2.677 16.220 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.638 15.748 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.421 14.706 1.511 1.00 0.00 H new ATOM 698 N PRO A 48 3.212 13.696 3.391 1.00 0.00 N ATOM 699 CA PRO A 48 4.314 12.864 3.883 1.00 0.00 C ATOM 700 C PRO A 48 4.741 11.809 2.868 1.00 0.00 C ATOM 701 O PRO A 48 5.831 11.246 2.965 1.00 0.00 O ATOM 702 CB PRO A 48 3.726 12.199 5.130 1.00 0.00 C ATOM 703 CG PRO A 48 2.255 12.189 4.897 1.00 0.00 C ATOM 704 CD PRO A 48 1.952 13.432 4.107 1.00 0.00 C ATOM 0 HA PRO A 48 5.212 13.450 4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.113 11.188 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.980 12.755 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.953 11.296 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.710 12.184 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.122 13.278 3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.676 14.263 4.756 1.00 0.00 H new ATOM 712 N ALA A 49 3.875 11.546 1.895 1.00 0.00 N ATOM 713 CA ALA A 49 4.165 10.560 0.861 1.00 0.00 C ATOM 714 C ALA A 49 5.241 11.066 -0.094 1.00 0.00 C ATOM 715 O ALA A 49 6.363 10.559 -0.105 1.00 0.00 O ATOM 716 CB ALA A 49 2.898 10.211 0.094 1.00 0.00 C ATOM 0 H ALA A 49 2.967 12.002 1.801 1.00 0.00 H new ATOM 0 HA ALA A 49 4.542 9.660 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.130 9.474 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.159 9.799 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.497 11.110 -0.374 1.00 0.00 H new ATOM 722 N ILE A 50 4.891 12.068 -0.895 1.00 0.00 N ATOM 723 CA ILE A 50 5.828 12.642 -1.853 1.00 0.00 C ATOM 724 C ILE A 50 7.203 12.841 -1.225 1.00 0.00 C ATOM 725 O ILE A 50 8.218 12.855 -1.922 1.00 0.00 O ATOM 726 CB ILE A 50 5.322 13.992 -2.394 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.846 14.226 -3.813 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.749 15.125 -1.473 1.00 0.00 C ATOM 729 CD1 ILE A 50 5.010 15.201 -4.612 1.00 0.00 C ATOM 0 H ILE A 50 3.966 12.498 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 50 5.908 11.936 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 50 4.233 13.968 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.869 14.598 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.881 13.273 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.384 16.073 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.333 14.962 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.837 15.153 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.440 15.319 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.992 14.821 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.995 16.167 -4.107 1.00 0.00 H new ATOM 741 N ARG A 51 7.229 12.993 0.095 1.00 0.00 N ATOM 742 CA ARG A 51 8.480 13.191 0.817 1.00 0.00 C ATOM 743 C ARG A 51 9.216 11.868 1.001 1.00 0.00 C ATOM 744 O ARG A 51 10.444 11.816 0.940 1.00 0.00 O ATOM 745 CB ARG A 51 8.211 13.831 2.180 1.00 0.00 C ATOM 746 CG ARG A 51 7.744 15.275 2.094 1.00 0.00 C ATOM 747 CD ARG A 51 7.150 15.748 3.411 1.00 0.00 C ATOM 748 NE ARG A 51 8.175 16.232 4.331 1.00 0.00 N ATOM 749 CZ ARG A 51 8.008 16.302 5.647 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.862 15.921 6.194 1.00 0.00 N ATOM 751 NH2 ARG A 51 8.988 16.754 6.419 1.00 0.00 N ATOM 0 H ARG A 51 6.398 12.983 0.686 1.00 0.00 H new ATOM 0 HA ARG A 51 9.109 13.858 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.456 13.245 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.121 13.787 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.584 15.914 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.000 15.372 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.430 16.544 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.603 14.929 3.877 1.00 0.00 H new ATOM 0 HE ARG A 51 9.069 16.533 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.106 15.573 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.736 15.976 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.871 17.048 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.858 16.807 7.429 1.00 0.00 H new ATOM 765 N ASN A 52 8.457 10.800 1.227 1.00 0.00 N ATOM 766 CA ASN A 52 9.038 9.477 1.421 1.00 0.00 C ATOM 767 C ASN A 52 9.884 9.072 0.217 1.00 0.00 C ATOM 768 O ASN A 52 11.085 8.835 0.341 1.00 0.00 O ATOM 769 CB ASN A 52 7.935 8.442 1.654 1.00 0.00 C ATOM 770 CG ASN A 52 8.222 7.125 0.959 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.274 6.519 1.163 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.284 6.675 0.133 1.00 0.00 N ATOM 0 H ASN A 52 7.439 10.825 1.280 1.00 0.00 H new ATOM 0 HA ASN A 52 9.683 9.516 2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.824 8.268 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.986 8.840 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.421 5.794 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.427 7.211 -0.006 1.00 0.00 H new ATOM 779 N GLY A 53 9.248 8.996 -0.948 1.00 0.00 N ATOM 780 CA GLY A 53 9.958 8.621 -2.157 1.00 0.00 C ATOM 781 C GLY A 53 9.732 7.170 -2.535 1.00 0.00 C ATOM 782 O GLY A 53 9.356 6.868 -3.668 1.00 0.00 O ATOM 0 H GLY A 53 8.254 9.187 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.635 9.262 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.025 8.795 -2.017 1.00 0.00 H new ATOM 786 N ARG A 54 9.964 6.270 -1.585 1.00 0.00 N ATOM 787 CA ARG A 54 9.787 4.843 -1.825 1.00 0.00 C ATOM 788 C ARG A 54 8.626 4.593 -2.784 1.00 0.00 C ATOM 789 O ARG A 54 8.650 3.646 -3.569 1.00 0.00 O ATOM 790 CB ARG A 54 9.539 4.109 -0.506 1.00 0.00 C ATOM 791 CG ARG A 54 10.796 3.911 0.326 1.00 0.00 C ATOM 792 CD ARG A 54 11.494 2.605 -0.021 1.00 0.00 C ATOM 793 NE ARG A 54 12.580 2.302 0.907 1.00 0.00 N ATOM 794 CZ ARG A 54 13.744 2.941 0.910 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.972 3.914 0.039 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.683 2.607 1.786 1.00 0.00 N ATOM 0 H ARG A 54 10.275 6.504 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 54 10.701 4.461 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.810 4.669 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.097 3.136 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.478 4.745 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.537 3.916 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.769 1.792 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.889 2.663 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 54 12.437 1.559 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.252 4.173 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.867 4.403 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.511 1.859 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.577 3.098 1.788 1.00 0.00 H new ATOM 810 N MET A 55 7.612 5.449 -2.713 1.00 0.00 N ATOM 811 CA MET A 55 6.443 5.321 -3.575 1.00 0.00 C ATOM 812 C MET A 55 6.227 6.592 -4.390 1.00 0.00 C ATOM 813 O MET A 55 6.510 7.696 -3.923 1.00 0.00 O ATOM 814 CB MET A 55 5.197 5.019 -2.739 1.00 0.00 C ATOM 815 CG MET A 55 4.636 6.237 -2.023 1.00 0.00 C ATOM 816 SD MET A 55 2.949 5.983 -1.439 1.00 0.00 S ATOM 817 CE MET A 55 2.013 6.456 -2.891 1.00 0.00 C ATOM 0 H MET A 55 7.576 6.238 -2.068 1.00 0.00 H new ATOM 0 HA MET A 55 6.619 4.495 -4.264 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.427 4.602 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.441 4.254 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.276 6.483 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.658 7.093 -2.698 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.133 7.023 -2.588 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.635 7.072 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.700 5.561 -3.430 1.00 0.00 H new ATOM 827 N ARG A 56 5.724 6.429 -5.610 1.00 0.00 N ATOM 828 CA ARG A 56 5.472 7.564 -6.490 1.00 0.00 C ATOM 829 C ARG A 56 4.101 7.445 -7.150 1.00 0.00 C ATOM 830 O ARG A 56 3.334 6.530 -6.853 1.00 0.00 O ATOM 831 CB ARG A 56 6.560 7.657 -7.561 1.00 0.00 C ATOM 832 CG ARG A 56 7.729 8.545 -7.166 1.00 0.00 C ATOM 833 CD ARG A 56 8.628 7.861 -6.148 1.00 0.00 C ATOM 834 NE ARG A 56 10.021 8.280 -6.281 1.00 0.00 N ATOM 835 CZ ARG A 56 10.850 7.794 -7.197 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.429 6.878 -8.058 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.104 8.225 -7.254 1.00 0.00 N ATOM 0 H ARG A 56 5.483 5.523 -6.011 1.00 0.00 H new ATOM 0 HA ARG A 56 5.488 8.471 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.932 6.655 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.120 8.039 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.310 8.800 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.353 9.480 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.275 8.088 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.561 6.780 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 56 10.376 8.985 -5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.466 6.545 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.068 6.507 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.431 8.930 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.740 7.851 -7.958 1.00 0.00 H new ATOM 851 N VAL A 57 3.800 8.378 -8.048 1.00 0.00 N ATOM 852 CA VAL A 57 2.523 8.379 -8.751 1.00 0.00 C ATOM 853 C VAL A 57 2.583 7.506 -10.000 1.00 0.00 C ATOM 854 O VAL A 57 3.618 7.415 -10.657 1.00 0.00 O ATOM 855 CB VAL A 57 2.104 9.805 -9.155 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.839 9.772 -9.999 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.909 10.672 -7.920 1.00 0.00 C ATOM 0 H VAL A 57 4.424 9.143 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 57 1.783 7.973 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 57 2.901 10.243 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.559 10.789 -10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.019 9.188 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.031 9.316 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.613 11.676 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.131 10.239 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.843 10.723 -7.360 1.00 0.00 H new ATOM 867 N GLY A 58 1.463 6.865 -10.321 1.00 0.00 N ATOM 868 CA GLY A 58 1.409 6.007 -11.491 1.00 0.00 C ATOM 869 C GLY A 58 2.066 4.662 -11.254 1.00 0.00 C ATOM 870 O GLY A 58 2.583 4.043 -12.185 1.00 0.00 O ATOM 0 H GLY A 58 0.593 6.924 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.369 5.854 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.900 6.506 -12.327 1.00 0.00 H new ATOM 874 N ASP A 59 2.047 4.208 -10.006 1.00 0.00 N ATOM 875 CA ASP A 59 2.646 2.927 -9.649 1.00 0.00 C ATOM 876 C ASP A 59 1.570 1.875 -9.399 1.00 0.00 C ATOM 877 O ASP A 59 0.392 2.201 -9.256 1.00 0.00 O ATOM 878 CB ASP A 59 3.526 3.079 -8.407 1.00 0.00 C ATOM 879 CG ASP A 59 4.725 2.152 -8.429 1.00 0.00 C ATOM 880 OD1 ASP A 59 4.526 0.930 -8.592 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.862 2.647 -8.283 1.00 0.00 O ATOM 0 H ASP A 59 1.623 4.708 -9.224 1.00 0.00 H new ATOM 0 HA ASP A 59 3.264 2.598 -10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.870 4.111 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.931 2.877 -7.517 1.00 0.00 H new ATOM 886 N GLN A 60 1.984 0.613 -9.350 1.00 0.00 N ATOM 887 CA GLN A 60 1.055 -0.487 -9.120 1.00 0.00 C ATOM 888 C GLN A 60 1.262 -1.094 -7.736 1.00 0.00 C ATOM 889 O GLN A 60 2.300 -1.695 -7.460 1.00 0.00 O ATOM 890 CB GLN A 60 1.229 -1.563 -10.193 1.00 0.00 C ATOM 891 CG GLN A 60 0.049 -2.516 -10.297 1.00 0.00 C ATOM 892 CD GLN A 60 0.177 -3.707 -9.369 1.00 0.00 C ATOM 893 OE1 GLN A 60 0.928 -4.644 -9.643 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.557 -3.678 -8.263 1.00 0.00 N ATOM 0 H GLN A 60 2.956 0.327 -9.466 1.00 0.00 H new ATOM 0 HA GLN A 60 0.041 -0.090 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.381 -1.080 -11.158 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.131 -2.137 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.870 -1.977 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.039 -2.869 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.166 -2.881 -8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.512 -4.452 -7.601 1.00 0.00 H new ATOM 903 N ILE A 61 0.267 -0.932 -6.870 1.00 0.00 N ATOM 904 CA ILE A 61 0.341 -1.464 -5.515 1.00 0.00 C ATOM 905 C ILE A 61 -0.113 -2.920 -5.471 1.00 0.00 C ATOM 906 O ILE A 61 -1.203 -3.255 -5.936 1.00 0.00 O ATOM 907 CB ILE A 61 -0.520 -0.640 -4.539 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.050 0.816 -4.515 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.463 -1.244 -3.144 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.106 1.783 -4.028 1.00 0.00 C ATOM 0 H ILE A 61 -0.599 -0.437 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 61 1.385 -1.401 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.555 -0.662 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.828 0.896 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.261 1.106 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.076 -0.651 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.840 -2.266 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.568 -1.248 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.704 2.796 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.976 1.732 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.401 1.519 -3.012 1.00 0.00 H new ATOM 922 N ILE A 62 0.729 -3.779 -4.908 1.00 0.00 N ATOM 923 CA ILE A 62 0.414 -5.198 -4.801 1.00 0.00 C ATOM 924 C ILE A 62 0.019 -5.567 -3.375 1.00 0.00 C ATOM 925 O ILE A 62 -0.699 -6.542 -3.152 1.00 0.00 O ATOM 926 CB ILE A 62 1.604 -6.074 -5.234 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.923 -5.343 -4.979 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.476 -6.451 -6.703 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.232 -4.277 -6.008 1.00 0.00 C ATOM 0 H ILE A 62 1.635 -3.517 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.426 -5.385 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 62 1.598 -6.989 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.890 -4.884 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.735 -6.070 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.324 -7.070 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.551 -7.007 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.461 -5.546 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.181 -3.800 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.298 -4.733 -6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.439 -3.529 -6.006 1.00 0.00 H new ATOM 941 N GLU A 63 0.491 -4.779 -2.413 1.00 0.00 N ATOM 942 CA GLU A 63 0.185 -5.023 -1.008 1.00 0.00 C ATOM 943 C GLU A 63 -0.262 -3.738 -0.318 1.00 0.00 C ATOM 944 O GLU A 63 0.147 -2.641 -0.700 1.00 0.00 O ATOM 945 CB GLU A 63 1.406 -5.603 -0.291 1.00 0.00 C ATOM 946 CG GLU A 63 1.201 -5.793 1.202 1.00 0.00 C ATOM 947 CD GLU A 63 2.502 -6.036 1.943 1.00 0.00 C ATOM 948 OE1 GLU A 63 3.437 -5.223 1.784 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.584 -7.038 2.683 1.00 0.00 O ATOM 0 H GLU A 63 1.086 -3.968 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.632 -5.743 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.658 -6.564 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.258 -4.943 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.712 -4.910 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.529 -6.635 1.369 1.00 0.00 H new ATOM 956 N ILE A 64 -1.102 -3.882 0.701 1.00 0.00 N ATOM 957 CA ILE A 64 -1.604 -2.734 1.445 1.00 0.00 C ATOM 958 C ILE A 64 -1.807 -3.079 2.917 1.00 0.00 C ATOM 959 O ILE A 64 -2.762 -3.766 3.277 1.00 0.00 O ATOM 960 CB ILE A 64 -2.934 -2.222 0.861 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.736 -1.754 -0.582 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.489 -1.093 1.718 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.028 -1.403 -1.286 1.00 0.00 C ATOM 0 H ILE A 64 -1.449 -4.783 1.030 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.853 -1.949 1.358 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.653 -3.041 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.081 -0.883 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.227 -2.538 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.429 -0.742 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.662 -1.457 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.773 -0.271 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.811 -1.080 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.677 -2.278 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.528 -0.598 -0.748 1.00 0.00 H new ATOM 975 N ASN A 65 -0.904 -2.595 3.763 1.00 0.00 N ATOM 976 CA ASN A 65 -0.984 -2.851 5.196 1.00 0.00 C ATOM 977 C ASN A 65 -0.833 -4.340 5.492 1.00 0.00 C ATOM 978 O ASN A 65 -1.409 -4.855 6.449 1.00 0.00 O ATOM 979 CB ASN A 65 -2.316 -2.341 5.752 1.00 0.00 C ATOM 980 CG ASN A 65 -2.231 -0.905 6.231 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.154 -0.416 6.572 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.370 -0.223 6.259 1.00 0.00 N ATOM 0 H ASN A 65 -0.108 -2.023 3.481 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.167 -2.318 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.082 -2.419 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.630 -2.979 6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.376 0.748 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.239 -0.670 5.967 1.00 0.00 H new ATOM 1072 N MET A 72 -9.849 -6.975 -3.825 1.00 0.00 N ATOM 1073 CA MET A 72 -10.201 -5.801 -3.034 1.00 0.00 C ATOM 1074 C MET A 72 -10.680 -4.664 -3.931 1.00 0.00 C ATOM 1075 O MET A 72 -10.156 -4.462 -5.028 1.00 0.00 O ATOM 1076 CB MET A 72 -9.001 -5.341 -2.204 1.00 0.00 C ATOM 1077 CG MET A 72 -8.222 -6.485 -1.575 1.00 0.00 C ATOM 1078 SD MET A 72 -7.467 -6.029 -0.003 1.00 0.00 S ATOM 1079 CE MET A 72 -6.861 -4.387 -0.382 1.00 0.00 C ATOM 0 HA MET A 72 -11.014 -6.077 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.331 -4.762 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.349 -4.673 -1.416 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.890 -7.333 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.445 -6.813 -2.265 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.024 -4.148 0.274 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.530 -4.352 -1.420 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.660 -3.661 -0.231 1.00 0.00 H new ATOM 1089 N THR A 73 -11.678 -3.924 -3.460 1.00 0.00 N ATOM 1090 CA THR A 73 -12.228 -2.809 -4.220 1.00 0.00 C ATOM 1091 C THR A 73 -11.589 -1.489 -3.801 1.00 0.00 C ATOM 1092 O THR A 73 -11.161 -1.331 -2.657 1.00 0.00 O ATOM 1093 CB THR A 73 -13.755 -2.706 -4.042 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.082 -2.640 -2.650 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.454 -3.899 -4.677 1.00 0.00 C ATOM 0 H THR A 73 -12.122 -4.077 -2.555 1.00 0.00 H new ATOM 0 HA THR A 73 -12.004 -3.001 -5.269 1.00 0.00 H new ATOM 0 HB THR A 73 -14.097 -1.798 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.054 -2.573 -2.545 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.531 -3.805 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.226 -3.930 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.106 -4.818 -4.205 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.528 -0.544 -4.733 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.943 0.763 -4.459 1.00 0.00 C ATOM 1105 C HIS A 74 -11.316 1.244 -3.060 1.00 0.00 C ATOM 1106 O HIS A 74 -10.496 1.832 -2.356 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.406 1.782 -5.501 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.542 3.003 -5.570 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.877 4.121 -6.305 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.351 3.279 -4.990 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.928 5.031 -6.175 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.990 4.545 -5.381 1.00 0.00 N ATOM 0 H HIS A 74 -11.877 -0.659 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.859 0.666 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.425 1.305 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.429 2.083 -5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.789 2.625 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.920 6.006 -6.639 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.137 5.031 -5.104 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.559 0.988 -2.664 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.040 1.394 -1.349 1.00 0.00 C ATOM 1123 C ALA A 75 -12.217 0.747 -0.240 1.00 0.00 C ATOM 1124 O ALA A 75 -11.693 1.433 0.637 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.511 1.038 -1.193 1.00 0.00 C ATOM 0 H ALA A 75 -13.250 0.502 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.928 2.475 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.857 1.347 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.093 1.551 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.638 -0.039 -1.302 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.109 -0.577 -0.285 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.351 -1.316 0.717 1.00 0.00 C ATOM 1133 C ARG A 76 -9.981 -0.682 0.940 1.00 0.00 C ATOM 1134 O ARG A 76 -9.614 -0.355 2.068 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.187 -2.776 0.289 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.196 -3.552 1.142 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.547 -3.468 2.619 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.148 -4.671 3.345 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.661 -5.024 4.519 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.587 -4.271 5.096 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.247 -6.133 5.118 1.00 0.00 N ATOM 0 H ARG A 76 -12.537 -1.160 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.905 -1.280 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.157 -3.270 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.861 -2.807 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.184 -4.596 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.192 -3.160 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.057 -2.600 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.621 -3.318 2.729 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.437 -5.273 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.908 -3.418 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.979 -4.545 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.535 -6.715 4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.641 -6.403 6.019 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.231 -0.512 -0.144 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.903 0.083 -0.067 1.00 0.00 C ATOM 1157 C ALA A 77 -7.942 1.422 0.663 1.00 0.00 C ATOM 1158 O ALA A 77 -7.098 1.700 1.515 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.321 0.258 -1.462 1.00 0.00 C ATOM 0 H ALA A 77 -9.521 -0.778 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.262 -0.592 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.329 0.703 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.247 -0.714 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.969 0.910 -2.048 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.927 2.247 0.322 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.076 3.556 0.946 1.00 0.00 C ATOM 1167 C ILE A 78 -9.455 3.424 2.417 1.00 0.00 C ATOM 1168 O ILE A 78 -9.366 4.386 3.179 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.141 4.404 0.227 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.847 4.468 -1.273 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.194 5.803 0.822 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -8.948 5.620 -1.664 1.00 0.00 C ATOM 0 H ILE A 78 -9.633 2.032 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.111 4.056 0.866 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.114 3.933 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.382 3.533 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.788 4.552 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.952 6.391 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.446 5.739 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.222 6.283 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.782 5.603 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.421 6.562 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.992 5.527 -1.149 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.876 2.225 2.809 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.268 1.968 4.190 1.00 0.00 C ATOM 1186 C GLU A 79 -9.102 1.390 4.987 1.00 0.00 C ATOM 1187 O GLU A 79 -8.969 1.643 6.186 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.457 1.006 4.235 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.451 0.087 5.445 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.848 -0.288 5.899 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.680 -0.634 5.034 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -13.111 -0.236 7.119 1.00 0.00 O ATOM 0 H GLU A 79 -9.954 1.418 2.191 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.560 2.916 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.381 1.584 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.458 0.400 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.895 -0.820 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.925 0.576 6.265 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.260 0.613 4.315 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.105 -0.001 4.959 1.00 0.00 C ATOM 1201 C LEU A 80 -6.071 1.052 5.344 1.00 0.00 C ATOM 1202 O LEU A 80 -5.487 0.997 6.427 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.471 -1.039 4.032 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.304 -2.292 3.757 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.470 -3.341 3.038 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.866 -2.854 5.055 1.00 0.00 C ATOM 0 H LEU A 80 -8.356 0.393 3.324 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.448 -0.495 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.249 -0.558 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.518 -1.348 4.463 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.138 -2.016 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.080 -4.225 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.116 -2.937 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.616 -3.614 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.456 -3.745 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.046 -3.114 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.499 -2.106 5.531 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.852 2.012 4.451 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.891 3.080 4.699 1.00 0.00 C ATOM 1220 C ILE A 81 -5.223 3.830 5.985 1.00 0.00 C ATOM 1221 O ILE A 81 -4.330 4.271 6.708 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.849 4.081 3.530 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.600 3.348 2.210 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.773 5.130 3.770 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.030 4.134 0.992 1.00 0.00 C ATOM 0 H ILE A 81 -6.327 2.072 3.550 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.913 2.609 4.798 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.814 4.585 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.538 3.117 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.133 2.397 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.755 5.831 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.990 5.669 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.802 4.642 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.824 3.553 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.098 4.343 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.479 5.073 0.952 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.514 3.971 6.264 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.966 4.665 7.464 1.00 0.00 C ATOM 1239 C LYS A 82 -7.283 3.674 8.580 1.00 0.00 C ATOM 1240 O LYS A 82 -7.437 4.058 9.739 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.203 5.511 7.154 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.055 4.952 6.027 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.282 5.813 5.776 1.00 0.00 C ATOM 1244 CE LYS A 82 -9.935 7.055 4.969 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.971 8.116 5.112 1.00 0.00 N ATOM 0 H LYS A 82 -7.266 3.614 5.675 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.161 5.318 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.813 5.591 8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.886 6.521 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.460 4.891 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.366 3.937 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.034 5.230 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.722 6.108 6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.970 7.443 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.831 6.788 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.698 8.946 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.887 7.755 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.052 8.389 6.112 1.00 0.00 H new ATOM 1259 N SER A 83 -7.377 2.397 8.222 1.00 0.00 N ATOM 1260 CA SER A 83 -7.677 1.351 9.193 1.00 0.00 C ATOM 1261 C SER A 83 -6.472 1.081 10.089 1.00 0.00 C ATOM 1262 O SER A 83 -6.619 0.805 11.279 1.00 0.00 O ATOM 1263 CB SER A 83 -8.093 0.065 8.476 1.00 0.00 C ATOM 1264 OG SER A 83 -8.374 -0.968 9.405 1.00 0.00 O ATOM 0 H SER A 83 -7.250 2.062 7.267 1.00 0.00 H new ATOM 0 HA SER A 83 -8.502 1.694 9.817 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.973 0.256 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.297 -0.254 7.803 1.00 0.00 H new ATOM 0 HG SER A 83 -8.639 -1.779 8.922 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.279 1.162 9.508 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.066 0.924 10.267 1.00 0.00 C ATOM 1272 C GLY A 84 -3.770 2.037 11.253 1.00 0.00 C ATOM 1273 O GLY A 84 -3.276 1.787 12.352 1.00 0.00 O ATOM 0 H GLY A 84 -5.131 1.388 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.157 -0.019 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.226 0.819 9.580 1.00 0.00 H new ATOM 1277 N GLY A 85 -4.072 3.270 10.858 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.827 4.407 11.726 1.00 0.00 C ATOM 1279 C GLY A 85 -3.118 5.540 11.011 1.00 0.00 C ATOM 1280 O GLY A 85 -3.539 5.964 9.935 1.00 0.00 O ATOM 0 H GLY A 85 -4.482 3.502 9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.776 4.769 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.227 4.087 12.578 1.00 0.00 H new ATOM 1284 N ARG A 86 -2.038 6.032 11.610 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.270 7.124 11.025 1.00 0.00 C ATOM 1286 C ARG A 86 -0.097 6.589 10.210 1.00 0.00 C ATOM 1287 O ARG A 86 0.456 7.291 9.363 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.759 8.061 12.121 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.676 9.242 12.390 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.468 9.802 13.788 1.00 0.00 C ATOM 1291 NE ARG A 86 -2.284 9.111 14.782 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.594 9.627 15.966 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -2.159 10.834 16.302 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.342 8.936 16.817 1.00 0.00 N ATOM 0 H ARG A 86 -1.675 5.691 12.500 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.928 7.681 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.633 7.493 13.043 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.226 8.434 11.839 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.491 10.023 11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.714 8.932 12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.416 9.716 14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.713 10.864 13.793 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.635 8.181 14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.585 11.369 15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.399 11.227 17.212 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.679 8.008 16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.579 9.333 17.726 1.00 0.00 H new ATOM 1308 N ARG A 87 0.278 5.341 10.471 1.00 0.00 N ATOM 1309 CA ARG A 87 1.387 4.712 9.764 1.00 0.00 C ATOM 1310 C ARG A 87 0.882 3.626 8.818 1.00 0.00 C ATOM 1311 O ARG A 87 0.198 2.692 9.236 1.00 0.00 O ATOM 1312 CB ARG A 87 2.381 4.113 10.760 1.00 0.00 C ATOM 1313 CG ARG A 87 2.923 5.120 11.761 1.00 0.00 C ATOM 1314 CD ARG A 87 3.815 4.453 12.796 1.00 0.00 C ATOM 1315 NE ARG A 87 5.013 3.874 12.194 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.136 3.645 12.866 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.213 3.945 14.155 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.184 3.115 12.249 1.00 0.00 N ATOM 0 H ARG A 87 -0.170 4.745 11.167 1.00 0.00 H new ATOM 0 HA ARG A 87 1.891 5.478 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.895 3.301 11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.214 3.676 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.487 5.890 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.093 5.619 12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.106 5.185 13.550 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.254 3.672 13.309 1.00 0.00 H new ATOM 0 HE ARG A 87 4.986 3.632 11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.409 4.352 14.633 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.076 3.768 14.669 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.128 2.883 11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.045 2.940 12.766 1.00 0.00 H new ATOM 1332 N VAL A 88 1.223 3.757 7.539 1.00 0.00 N ATOM 1333 CA VAL A 88 0.805 2.788 6.534 1.00 0.00 C ATOM 1334 C VAL A 88 2.008 2.191 5.812 1.00 0.00 C ATOM 1335 O VAL A 88 3.033 2.852 5.643 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.138 3.426 5.496 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.596 4.486 4.688 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.726 2.360 4.584 1.00 0.00 C ATOM 0 H VAL A 88 1.787 4.525 7.175 1.00 0.00 H new ATOM 0 HA VAL A 88 0.271 1.997 7.061 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.958 3.911 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.086 4.926 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.963 5.264 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.437 4.029 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.390 2.829 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.079 1.844 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.290 1.642 5.180 1.00 0.00 H new ATOM 1348 N ARG A 89 1.875 0.939 5.388 1.00 0.00 N ATOM 1349 CA ARG A 89 2.952 0.252 4.685 1.00 0.00 C ATOM 1350 C ARG A 89 2.399 -0.610 3.554 1.00 0.00 C ATOM 1351 O ARG A 89 1.675 -1.577 3.793 1.00 0.00 O ATOM 1352 CB ARG A 89 3.754 -0.615 5.657 1.00 0.00 C ATOM 1353 CG ARG A 89 4.677 -1.607 4.969 1.00 0.00 C ATOM 1354 CD ARG A 89 5.088 -2.730 5.909 1.00 0.00 C ATOM 1355 NE ARG A 89 6.361 -3.331 5.520 1.00 0.00 N ATOM 1356 CZ ARG A 89 7.084 -4.105 6.322 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.661 -4.371 7.550 1.00 0.00 N ATOM 1358 NH2 ARG A 89 8.232 -4.615 5.895 1.00 0.00 N ATOM 0 H ARG A 89 1.032 0.379 5.519 1.00 0.00 H new ATOM 0 HA ARG A 89 3.611 1.007 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.347 0.032 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.063 -1.160 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.177 -2.026 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.566 -1.089 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.166 -2.342 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.313 -3.497 5.919 1.00 0.00 H new ATOM 0 HE ARG A 89 6.714 -3.146 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.779 -3.981 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.218 -4.966 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.560 -4.413 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.787 -5.209 6.511 1.00 0.00 H new ATOM 1372 N LEU A 90 2.746 -0.254 2.322 1.00 0.00 N ATOM 1373 CA LEU A 90 2.285 -0.995 1.153 1.00 0.00 C ATOM 1374 C LEU A 90 3.454 -1.366 0.247 1.00 0.00 C ATOM 1375 O LEU A 90 4.433 -0.626 0.144 1.00 0.00 O ATOM 1376 CB LEU A 90 1.262 -0.168 0.371 1.00 0.00 C ATOM 1377 CG LEU A 90 1.390 1.351 0.497 1.00 0.00 C ATOM 1378 CD1 LEU A 90 1.066 2.025 -0.827 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.481 1.873 1.600 1.00 0.00 C ATOM 0 H LEU A 90 3.345 0.543 2.107 1.00 0.00 H new ATOM 0 HA LEU A 90 1.812 -1.914 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.340 -0.433 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.264 -0.457 0.699 1.00 0.00 H new ATOM 0 HG LEU A 90 2.421 1.589 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.162 3.105 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.758 1.674 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.045 1.779 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.585 2.955 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.554 1.623 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.760 1.415 2.549 1.00 0.00 H new ATOM 1391 N LEU A 91 3.345 -2.515 -0.410 1.00 0.00 N ATOM 1392 CA LEU A 91 4.393 -2.984 -1.311 1.00 0.00 C ATOM 1393 C LEU A 91 4.208 -2.405 -2.710 1.00 0.00 C ATOM 1394 O LEU A 91 3.223 -2.695 -3.389 1.00 0.00 O ATOM 1395 CB LEU A 91 4.391 -4.512 -1.375 1.00 0.00 C ATOM 1396 CG LEU A 91 5.658 -5.163 -1.932 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.541 -6.678 -1.893 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.925 -4.682 -3.351 1.00 0.00 C ATOM 0 H LEU A 91 2.542 -3.139 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 91 5.352 -2.644 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.221 -4.897 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.545 -4.829 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 91 6.500 -4.869 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.452 -7.124 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.399 -7.006 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.688 -6.993 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.830 -5.155 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.082 -4.946 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.055 -3.600 -3.350 1.00 0.00 H new ATOM 1410 N LEU A 92 5.164 -1.586 -3.136 1.00 0.00 N ATOM 1411 CA LEU A 92 5.108 -0.967 -4.455 1.00 0.00 C ATOM 1412 C LEU A 92 6.367 -1.282 -5.258 1.00 0.00 C ATOM 1413 O LEU A 92 7.432 -1.529 -4.692 1.00 0.00 O ATOM 1414 CB LEU A 92 4.940 0.548 -4.323 1.00 0.00 C ATOM 1415 CG LEU A 92 4.299 1.258 -5.516 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.798 1.017 -5.538 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.601 2.749 -5.473 1.00 0.00 C ATOM 0 H LEU A 92 5.986 -1.336 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 92 4.248 -1.377 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.337 0.751 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.922 0.989 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 92 4.725 0.847 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.360 1.530 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.602 -0.052 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.354 1.400 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.137 3.239 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.203 3.174 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.680 2.903 -5.507 1.00 0.00 H new