USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.95! F(o=-4.9,f=-3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 86:sc= 0.184 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -2.73! (180deg=-5.18!) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 78 ASN : amide:sc= -3.07! C(o=-3.1!,f=-4.7!) USER MOD Single : A 83 MET CE :methyl -169:sc= 0 (180deg=-0.0162) USER MOD Single : A 85 SER OG : rot 146:sc= 0.859 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 92 GLN : amide:sc= -2.27! X(o=-2.3!,f=-2.2) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -0.237 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.551 -0.930 6.549 1.00 0.00 N ATOM 213 CA GLU A 18 -11.371 -1.771 5.694 1.00 0.00 C ATOM 214 C GLU A 18 -11.529 -1.129 4.314 1.00 0.00 C ATOM 215 O GLU A 18 -11.964 0.016 4.204 1.00 0.00 O ATOM 216 CB GLU A 18 -12.735 -2.039 6.333 1.00 0.00 C ATOM 217 CG GLU A 18 -13.750 -2.502 5.286 1.00 0.00 C ATOM 218 CD GLU A 18 -14.724 -3.522 5.880 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.056 -3.361 7.074 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.114 -4.440 5.126 1.00 0.00 O ATOM 0 HA GLU A 18 -10.869 -2.731 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.634 -2.799 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.097 -1.133 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.304 -1.643 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.227 -2.944 4.438 1.00 0.00 H new ATOM 227 N LEU A 19 -11.168 -1.895 3.295 1.00 0.00 N ATOM 228 CA LEU A 19 -11.264 -1.416 1.927 1.00 0.00 C ATOM 229 C LEU A 19 -12.733 -1.166 1.581 1.00 0.00 C ATOM 230 O LEU A 19 -13.616 -1.393 2.406 1.00 0.00 O ATOM 231 CB LEU A 19 -10.562 -2.382 0.970 1.00 0.00 C ATOM 232 CG LEU A 19 -9.032 -2.348 0.985 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.507 -1.031 0.410 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.492 -2.615 2.391 1.00 0.00 C ATOM 0 H LEU A 19 -10.808 -2.845 3.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.744 -0.464 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.885 -3.396 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.900 -2.168 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.666 -3.148 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.417 -1.033 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.849 -0.922 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.881 -0.199 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.403 -2.585 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.865 -1.853 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.823 -3.598 2.727 1.00 0.00 H new ATOM 246 N THR A 20 -12.949 -0.703 0.358 1.00 0.00 N ATOM 247 CA THR A 20 -14.296 -0.420 -0.107 1.00 0.00 C ATOM 248 C THR A 20 -14.446 -0.815 -1.578 1.00 0.00 C ATOM 249 O THR A 20 -13.456 -0.925 -2.299 1.00 0.00 O ATOM 250 CB THR A 20 -14.588 1.058 0.158 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.751 1.748 -0.767 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.087 1.517 1.528 1.00 0.00 C ATOM 0 H THR A 20 -12.214 -0.517 -0.324 1.00 0.00 H new ATOM 0 HA THR A 20 -15.034 -1.013 0.434 1.00 0.00 H new ATOM 0 HB THR A 20 -15.661 1.235 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.878 2.714 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.319 2.573 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.576 0.933 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.008 1.372 1.588 1.00 0.00 H new ATOM 260 N GLU A 21 -15.693 -1.017 -1.979 1.00 0.00 N ATOM 261 CA GLU A 21 -15.985 -1.398 -3.351 1.00 0.00 C ATOM 262 C GLU A 21 -15.095 -0.616 -4.319 1.00 0.00 C ATOM 263 O GLU A 21 -14.779 -1.099 -5.405 1.00 0.00 O ATOM 264 CB GLU A 21 -17.465 -1.187 -3.675 1.00 0.00 C ATOM 265 CG GLU A 21 -17.960 -2.228 -4.680 1.00 0.00 C ATOM 266 CD GLU A 21 -18.915 -1.598 -5.697 1.00 0.00 C ATOM 267 OE1 GLU A 21 -19.818 -0.862 -5.246 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.719 -1.868 -6.902 1.00 0.00 O ATOM 0 H GLU A 21 -16.512 -0.924 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.769 -2.460 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.054 -1.251 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.613 -0.186 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.110 -2.670 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.466 -3.036 -4.152 1.00 0.00 H new ATOM 275 N ALA A 22 -14.716 0.579 -3.891 1.00 0.00 N ATOM 276 CA ALA A 22 -13.869 1.433 -4.707 1.00 0.00 C ATOM 277 C ALA A 22 -12.401 1.146 -4.383 1.00 0.00 C ATOM 278 O ALA A 22 -11.642 0.719 -5.252 1.00 0.00 O ATOM 279 CB ALA A 22 -14.242 2.898 -4.472 1.00 0.00 C ATOM 0 H ALA A 22 -14.980 0.976 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.021 1.224 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.607 3.538 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.286 3.056 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.100 3.145 -3.420 1.00 0.00 H new ATOM 285 N GLU A 23 -12.045 1.393 -3.131 1.00 0.00 N ATOM 286 CA GLU A 23 -10.682 1.167 -2.682 1.00 0.00 C ATOM 287 C GLU A 23 -10.205 -0.222 -3.112 1.00 0.00 C ATOM 288 O GLU A 23 -9.093 -0.372 -3.615 1.00 0.00 O ATOM 289 CB GLU A 23 -10.568 1.341 -1.166 1.00 0.00 C ATOM 290 CG GLU A 23 -9.942 2.692 -0.815 1.00 0.00 C ATOM 291 CD GLU A 23 -8.571 2.849 -1.476 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.875 1.817 -1.591 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.250 3.998 -1.850 1.00 0.00 O ATOM 0 H GLU A 23 -12.677 1.748 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.038 1.912 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.556 1.265 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.963 0.536 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.601 3.497 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.840 2.780 0.267 1.00 0.00 H new ATOM 300 N LEU A 24 -11.071 -1.202 -2.898 1.00 0.00 N ATOM 301 CA LEU A 24 -10.752 -2.574 -3.258 1.00 0.00 C ATOM 302 C LEU A 24 -10.197 -2.607 -4.683 1.00 0.00 C ATOM 303 O LEU A 24 -9.259 -3.349 -4.971 1.00 0.00 O ATOM 304 CB LEU A 24 -11.968 -3.479 -3.050 1.00 0.00 C ATOM 305 CG LEU A 24 -12.070 -4.161 -1.684 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.289 -5.083 -1.622 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.775 -4.900 -1.342 1.00 0.00 C ATOM 0 H LEU A 24 -11.993 -1.074 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.975 -2.969 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.869 -2.885 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.958 -4.251 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.210 -3.390 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.338 -5.555 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.195 -4.500 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.204 -5.851 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.874 -5.376 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.579 -5.660 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.947 -4.191 -1.317 1.00 0.00 H new ATOM 319 N VAL A 25 -10.800 -1.794 -5.538 1.00 0.00 N ATOM 320 CA VAL A 25 -10.378 -1.721 -6.926 1.00 0.00 C ATOM 321 C VAL A 25 -9.028 -1.005 -7.008 1.00 0.00 C ATOM 322 O VAL A 25 -8.205 -1.319 -7.866 1.00 0.00 O ATOM 323 CB VAL A 25 -11.463 -1.048 -7.769 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.948 -0.729 -9.173 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.724 -1.913 -7.830 1.00 0.00 C ATOM 0 H VAL A 25 -11.578 -1.180 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.241 -2.722 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.726 -0.106 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.739 -0.251 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.093 -0.056 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.644 -1.652 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.480 -1.412 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.482 -2.878 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.109 -2.066 -6.822 1.00 0.00 H new ATOM 335 N THR A 26 -8.842 -0.055 -6.102 1.00 0.00 N ATOM 336 CA THR A 26 -7.607 0.708 -6.061 1.00 0.00 C ATOM 337 C THR A 26 -6.465 -0.154 -5.518 1.00 0.00 C ATOM 338 O THR A 26 -5.362 -0.145 -6.064 1.00 0.00 O ATOM 339 CB THR A 26 -7.859 1.971 -5.236 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.354 2.913 -6.184 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.564 2.605 -4.723 1.00 0.00 C ATOM 0 H THR A 26 -9.527 0.203 -5.391 1.00 0.00 H new ATOM 0 HA THR A 26 -7.297 1.011 -7.061 1.00 0.00 H new ATOM 0 HB THR A 26 -8.504 1.729 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.545 3.762 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.800 3.498 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.035 1.892 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.933 2.878 -5.569 1.00 0.00 H new ATOM 349 N ALA A 27 -6.769 -0.879 -4.452 1.00 0.00 N ATOM 350 CA ALA A 27 -5.782 -1.745 -3.829 1.00 0.00 C ATOM 351 C ALA A 27 -5.307 -2.783 -4.848 1.00 0.00 C ATOM 352 O ALA A 27 -4.105 -2.978 -5.026 1.00 0.00 O ATOM 353 CB ALA A 27 -6.383 -2.388 -2.578 1.00 0.00 C ATOM 0 H ALA A 27 -7.685 -0.885 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.912 -1.170 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.642 -3.037 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.678 -1.609 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.258 -2.976 -2.856 1.00 0.00 H new ATOM 359 N GLU A 28 -6.274 -3.422 -5.489 1.00 0.00 N ATOM 360 CA GLU A 28 -5.969 -4.435 -6.485 1.00 0.00 C ATOM 361 C GLU A 28 -5.057 -3.857 -7.569 1.00 0.00 C ATOM 362 O GLU A 28 -4.195 -4.557 -8.097 1.00 0.00 O ATOM 363 CB GLU A 28 -7.251 -5.007 -7.095 1.00 0.00 C ATOM 364 CG GLU A 28 -8.078 -3.908 -7.764 1.00 0.00 C ATOM 365 CD GLU A 28 -9.189 -4.507 -8.628 1.00 0.00 C ATOM 366 OE1 GLU A 28 -9.922 -5.368 -8.093 1.00 0.00 O ATOM 367 OE2 GLU A 28 -9.282 -4.091 -9.803 1.00 0.00 O ATOM 0 H GLU A 28 -7.269 -3.258 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.442 -5.253 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.999 -5.774 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.843 -5.491 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.513 -3.261 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.430 -3.284 -8.380 1.00 0.00 H new ATOM 374 N ALA A 29 -5.278 -2.585 -7.867 1.00 0.00 N ATOM 375 CA ALA A 29 -4.487 -1.905 -8.878 1.00 0.00 C ATOM 376 C ALA A 29 -3.034 -1.814 -8.407 1.00 0.00 C ATOM 377 O ALA A 29 -2.110 -1.880 -9.216 1.00 0.00 O ATOM 378 CB ALA A 29 -5.095 -0.530 -9.163 1.00 0.00 C ATOM 0 H ALA A 29 -5.994 -2.008 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.496 -2.465 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.501 -0.020 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.117 -0.651 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.101 0.062 -8.248 1.00 0.00 H new ATOM 384 N VAL A 30 -2.878 -1.665 -7.100 1.00 0.00 N ATOM 385 CA VAL A 30 -1.554 -1.564 -6.511 1.00 0.00 C ATOM 386 C VAL A 30 -0.877 -2.936 -6.551 1.00 0.00 C ATOM 387 O VAL A 30 0.309 -3.039 -6.862 1.00 0.00 O ATOM 388 CB VAL A 30 -1.652 -0.987 -5.097 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.370 -1.254 -4.306 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.971 0.509 -5.137 1.00 0.00 C ATOM 0 H VAL A 30 -3.647 -1.612 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.932 -0.877 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.472 -1.491 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.466 -0.834 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.204 -2.329 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.475 -0.790 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.035 0.895 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.182 1.035 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.923 0.665 -5.645 1.00 0.00 H new ATOM 400 N ARG A 31 -1.660 -3.956 -6.231 1.00 0.00 N ATOM 401 CA ARG A 31 -1.151 -5.317 -6.227 1.00 0.00 C ATOM 402 C ARG A 31 -0.532 -5.657 -7.584 1.00 0.00 C ATOM 403 O ARG A 31 0.501 -6.322 -7.650 1.00 0.00 O ATOM 404 CB ARG A 31 -2.264 -6.320 -5.916 1.00 0.00 C ATOM 405 CG ARG A 31 -1.749 -7.452 -5.025 1.00 0.00 C ATOM 406 CD ARG A 31 -2.910 -8.241 -4.416 1.00 0.00 C ATOM 407 NE ARG A 31 -3.846 -7.319 -3.735 1.00 0.00 N ATOM 408 CZ ARG A 31 -5.048 -7.681 -3.264 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.466 -8.947 -3.398 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.831 -6.777 -2.660 1.00 0.00 N ATOM 0 H ARG A 31 -2.643 -3.867 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.389 -5.384 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.090 -5.810 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.656 -6.733 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.117 -8.121 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.128 -7.040 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.434 -8.794 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.529 -8.975 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.559 -6.347 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.870 -9.635 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.380 -9.223 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.513 -5.813 -2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.745 -7.053 -2.302 1.00 0.00 H new ATOM 424 N SER A 32 -1.188 -5.184 -8.633 1.00 0.00 N ATOM 425 CA SER A 32 -0.715 -5.430 -9.985 1.00 0.00 C ATOM 426 C SER A 32 0.664 -4.795 -10.180 1.00 0.00 C ATOM 427 O SER A 32 1.486 -5.309 -10.937 1.00 0.00 O ATOM 428 CB SER A 32 -1.701 -4.886 -11.021 1.00 0.00 C ATOM 429 OG SER A 32 -1.162 -4.921 -12.340 1.00 0.00 O ATOM 0 H SER A 32 -2.043 -4.632 -8.574 1.00 0.00 H new ATOM 0 HA SER A 32 -0.636 -6.508 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.620 -5.471 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.967 -3.860 -10.765 1.00 0.00 H new ATOM 0 HG SER A 32 -1.822 -4.567 -12.972 1.00 0.00 H new ATOM 435 N VAL A 33 0.874 -3.688 -9.483 1.00 0.00 N ATOM 436 CA VAL A 33 2.139 -2.978 -9.570 1.00 0.00 C ATOM 437 C VAL A 33 3.261 -3.878 -9.049 1.00 0.00 C ATOM 438 O VAL A 33 4.310 -3.996 -9.679 1.00 0.00 O ATOM 439 CB VAL A 33 2.044 -1.647 -8.822 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.328 -0.832 -8.988 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.823 -0.846 -9.280 1.00 0.00 C ATOM 0 H VAL A 33 0.190 -3.265 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 33 2.371 -2.737 -10.607 1.00 0.00 H new ATOM 0 HB VAL A 33 1.921 -1.867 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.234 0.109 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.171 -1.397 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.495 -0.627 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.779 0.096 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.902 -0.642 -10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.083 -1.421 -9.086 1.00 0.00 H new ATOM 451 N TRP A 34 3.001 -4.490 -7.903 1.00 0.00 N ATOM 452 CA TRP A 34 3.976 -5.377 -7.290 1.00 0.00 C ATOM 453 C TRP A 34 4.235 -6.535 -8.255 1.00 0.00 C ATOM 454 O TRP A 34 5.371 -6.759 -8.670 1.00 0.00 O ATOM 455 CB TRP A 34 3.503 -5.842 -5.911 1.00 0.00 C ATOM 456 CG TRP A 34 3.443 -4.727 -4.865 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.060 -3.454 -5.036 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.794 -4.838 -3.469 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.138 -2.740 -3.858 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.599 -3.608 -2.875 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.261 -5.941 -2.733 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.845 -3.364 -1.519 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.502 -5.681 -1.379 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.311 -4.448 -0.766 1.00 0.00 C ATOM 0 H TRP A 34 2.129 -4.389 -7.383 1.00 0.00 H new ATOM 0 HA TRP A 34 4.916 -4.854 -7.114 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.513 -6.288 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.172 -6.625 -5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.732 -3.039 -5.978 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.901 -1.756 -3.732 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.421 -6.912 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.684 -2.392 -1.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.862 -6.495 -0.768 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.521 -4.327 0.286 1.00 0.00 H new ATOM 475 N GLN A 35 3.163 -7.240 -8.585 1.00 0.00 N ATOM 476 CA GLN A 35 3.260 -8.369 -9.493 1.00 0.00 C ATOM 477 C GLN A 35 4.034 -7.973 -10.752 1.00 0.00 C ATOM 478 O GLN A 35 5.034 -8.601 -11.094 1.00 0.00 O ATOM 479 CB GLN A 35 1.872 -8.907 -9.849 1.00 0.00 C ATOM 480 CG GLN A 35 1.161 -9.451 -8.609 1.00 0.00 C ATOM 481 CD GLN A 35 1.235 -10.979 -8.560 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.453 -11.453 -8.311 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.252 -11.680 -8.736 1.00 0.00 N flip ATOM 0 H GLN A 35 2.222 -7.051 -8.239 1.00 0.00 H new ATOM 0 HA GLN A 35 3.806 -9.168 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.274 -8.113 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.964 -9.696 -10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.616 -9.032 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.118 -9.134 -8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.654 -11.250 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.336 -12.696 -8.696 1.00 0.00 H new ATOM 492 N ARG A 36 3.541 -6.932 -11.408 1.00 0.00 N ATOM 493 CA ARG A 36 4.173 -6.444 -12.622 1.00 0.00 C ATOM 494 C ARG A 36 5.668 -6.214 -12.386 1.00 0.00 C ATOM 495 O ARG A 36 6.496 -6.605 -13.207 1.00 0.00 O ATOM 496 CB ARG A 36 3.531 -5.137 -13.090 1.00 0.00 C ATOM 497 CG ARG A 36 2.278 -5.410 -13.925 1.00 0.00 C ATOM 498 CD ARG A 36 1.697 -4.109 -14.483 1.00 0.00 C ATOM 499 NE ARG A 36 1.270 -4.307 -15.887 1.00 0.00 N ATOM 500 CZ ARG A 36 0.543 -3.422 -16.582 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.156 -2.274 -16.009 1.00 0.00 N ATOM 502 NH2 ARG A 36 0.202 -3.685 -17.851 1.00 0.00 N ATOM 0 H ARG A 36 2.711 -6.413 -11.121 1.00 0.00 H new ATOM 0 HA ARG A 36 4.035 -7.200 -13.395 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.271 -4.526 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.248 -4.566 -13.680 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.523 -6.084 -14.745 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.530 -5.913 -13.312 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.848 -3.791 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.442 -3.316 -14.429 1.00 0.00 H new ATOM 0 HE ARG A 36 1.547 -5.171 -16.354 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.415 -2.073 -15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.397 -1.601 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.496 -4.559 -18.287 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.352 -3.011 -18.380 1.00 0.00 H new ATOM 516 N ILE A 37 5.966 -5.582 -11.260 1.00 0.00 N ATOM 517 CA ILE A 37 7.346 -5.296 -10.906 1.00 0.00 C ATOM 518 C ILE A 37 8.065 -6.605 -10.573 1.00 0.00 C ATOM 519 O ILE A 37 8.904 -7.069 -11.343 1.00 0.00 O ATOM 520 CB ILE A 37 7.407 -4.258 -9.784 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.090 -2.858 -10.313 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.756 -4.307 -9.064 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.217 -1.811 -9.205 1.00 0.00 C ATOM 0 H ILE A 37 5.276 -5.260 -10.581 1.00 0.00 H new ATOM 0 HA ILE A 37 7.871 -4.850 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 37 6.641 -4.505 -9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.768 -2.612 -11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.079 -2.840 -10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.773 -3.559 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.902 -5.297 -8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.556 -4.100 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.986 -0.825 -9.608 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.520 -2.046 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.235 -1.815 -8.816 1.00 0.00 H new ATOM 535 N LEU A 38 7.709 -7.163 -9.426 1.00 0.00 N ATOM 536 CA LEU A 38 8.309 -8.409 -8.982 1.00 0.00 C ATOM 537 C LEU A 38 8.059 -9.493 -10.032 1.00 0.00 C ATOM 538 O LEU A 38 6.927 -9.942 -10.208 1.00 0.00 O ATOM 539 CB LEU A 38 7.806 -8.778 -7.585 1.00 0.00 C ATOM 540 CG LEU A 38 7.998 -7.716 -6.500 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.071 -7.973 -5.311 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.465 -7.626 -6.075 1.00 0.00 C ATOM 0 H LEU A 38 7.012 -6.775 -8.790 1.00 0.00 H new ATOM 0 HA LEU A 38 9.389 -8.299 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.743 -9.011 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.313 -9.689 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 38 7.724 -6.747 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.228 -7.204 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.034 -7.947 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.290 -8.952 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.574 -6.864 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.790 -8.590 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.078 -7.360 -6.936 1.00 0.00 H new ATOM 554 N PRO A 39 9.162 -9.893 -10.719 1.00 0.00 N ATOM 555 CA PRO A 39 9.073 -10.916 -11.747 1.00 0.00 C ATOM 556 C PRO A 39 8.914 -12.306 -11.125 1.00 0.00 C ATOM 557 O PRO A 39 7.846 -12.909 -11.209 1.00 0.00 O ATOM 558 CB PRO A 39 10.350 -10.771 -12.558 1.00 0.00 C ATOM 559 CG PRO A 39 11.315 -9.990 -11.681 1.00 0.00 C ATOM 560 CD PRO A 39 10.518 -9.384 -10.537 1.00 0.00 C ATOM 0 HA PRO A 39 8.197 -10.797 -12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.761 -11.747 -12.818 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.161 -10.246 -13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.097 -10.645 -11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.809 -9.208 -12.258 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.925 -9.680 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.540 -8.295 -10.572 1.00 0.00 H new ATOM 568 N LYS A 40 9.994 -12.773 -10.516 1.00 0.00 N ATOM 569 CA LYS A 40 9.988 -14.080 -9.880 1.00 0.00 C ATOM 570 C LYS A 40 8.653 -14.287 -9.163 1.00 0.00 C ATOM 571 O LYS A 40 8.069 -15.368 -9.230 1.00 0.00 O ATOM 572 CB LYS A 40 11.207 -14.238 -8.969 1.00 0.00 C ATOM 573 CG LYS A 40 12.505 -14.210 -9.779 1.00 0.00 C ATOM 574 CD LYS A 40 13.059 -15.622 -9.976 1.00 0.00 C ATOM 575 CE LYS A 40 12.890 -16.082 -11.425 1.00 0.00 C ATOM 576 NZ LYS A 40 14.130 -16.725 -11.913 1.00 0.00 N ATOM 0 H LYS A 40 10.879 -12.270 -10.449 1.00 0.00 H new ATOM 0 HA LYS A 40 10.074 -14.868 -10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.219 -13.438 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.136 -15.178 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.322 -13.749 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.244 -13.594 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.115 -15.643 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.545 -16.314 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.058 -16.783 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.643 -15.229 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.998 -17.031 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.916 -16.046 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.349 -17.551 -11.320 1.00 0.00 H new ATOM 590 N VAL A 41 8.208 -13.234 -8.493 1.00 0.00 N ATOM 591 CA VAL A 41 6.952 -13.287 -7.763 1.00 0.00 C ATOM 592 C VAL A 41 5.818 -13.625 -8.733 1.00 0.00 C ATOM 593 O VAL A 41 5.514 -12.844 -9.634 1.00 0.00 O ATOM 594 CB VAL A 41 6.727 -11.973 -7.014 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.369 -11.970 -6.309 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.860 -11.706 -6.022 1.00 0.00 C ATOM 0 H VAL A 41 8.695 -12.339 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 41 6.980 -14.074 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 41 6.726 -11.166 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.234 -11.024 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.576 -12.092 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.329 -12.791 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.675 -10.766 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.907 -12.518 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.807 -11.644 -6.559 1.00 0.00 H new ATOM 606 N LEU A 42 5.223 -14.789 -8.516 1.00 0.00 N ATOM 607 CA LEU A 42 4.129 -15.239 -9.360 1.00 0.00 C ATOM 608 C LEU A 42 2.807 -14.722 -8.791 1.00 0.00 C ATOM 609 O LEU A 42 1.841 -14.532 -9.530 1.00 0.00 O ATOM 610 CB LEU A 42 4.174 -16.759 -9.528 1.00 0.00 C ATOM 611 CG LEU A 42 5.044 -17.282 -10.673 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.962 -18.408 -10.193 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.184 -17.711 -11.863 1.00 0.00 C ATOM 0 H LEU A 42 5.478 -15.434 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 42 4.227 -14.827 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.532 -17.197 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.156 -17.118 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 42 5.684 -16.469 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.570 -18.762 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.613 -18.035 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.359 -19.230 -9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.827 -18.079 -12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.502 -18.503 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.609 -16.858 -12.223 1.00 0.00 H new ATOM 625 N GLU A 43 2.804 -14.507 -7.484 1.00 0.00 N ATOM 626 CA GLU A 43 1.616 -14.015 -6.808 1.00 0.00 C ATOM 627 C GLU A 43 2.006 -13.103 -5.644 1.00 0.00 C ATOM 628 O GLU A 43 2.982 -13.368 -4.943 1.00 0.00 O ATOM 629 CB GLU A 43 0.740 -15.174 -6.327 1.00 0.00 C ATOM 630 CG GLU A 43 1.259 -15.742 -5.005 1.00 0.00 C ATOM 631 CD GLU A 43 0.731 -17.159 -4.772 1.00 0.00 C ATOM 632 OE1 GLU A 43 1.276 -18.080 -5.417 1.00 0.00 O ATOM 633 OE2 GLU A 43 -0.205 -17.289 -3.953 1.00 0.00 O ATOM 0 H GLU A 43 3.606 -14.665 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 43 1.032 -13.432 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.287 -14.830 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.723 -15.959 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.349 -15.753 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.953 -15.096 -4.182 1.00 0.00 H new ATOM 640 N VAL A 44 1.225 -12.047 -5.473 1.00 0.00 N ATOM 641 CA VAL A 44 1.477 -11.094 -4.406 1.00 0.00 C ATOM 642 C VAL A 44 0.321 -11.139 -3.404 1.00 0.00 C ATOM 643 O VAL A 44 -0.845 -11.148 -3.796 1.00 0.00 O ATOM 644 CB VAL A 44 1.706 -9.700 -4.992 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.296 -8.612 -3.997 1.00 0.00 C ATOM 646 CG2 VAL A 44 3.160 -9.522 -5.432 1.00 0.00 C ATOM 0 H VAL A 44 0.417 -11.830 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 44 2.386 -11.358 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 44 1.075 -9.600 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.469 -7.631 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.239 -8.720 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.888 -8.710 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.295 -8.522 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.819 -9.652 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.404 -10.264 -6.192 1.00 0.00 H new ATOM 656 N GLU A 45 0.684 -11.166 -2.130 1.00 0.00 N ATOM 657 CA GLU A 45 -0.308 -11.210 -1.070 1.00 0.00 C ATOM 658 C GLU A 45 -0.078 -10.065 -0.081 1.00 0.00 C ATOM 659 O GLU A 45 0.834 -9.259 -0.259 1.00 0.00 O ATOM 660 CB GLU A 45 -0.288 -12.563 -0.356 1.00 0.00 C ATOM 661 CG GLU A 45 1.147 -13.033 -0.110 1.00 0.00 C ATOM 662 CD GLU A 45 1.572 -14.068 -1.154 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.768 -13.653 -2.317 1.00 0.00 O ATOM 664 OE2 GLU A 45 1.690 -15.250 -0.765 1.00 0.00 O ATOM 0 H GLU A 45 1.652 -11.158 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.295 -11.087 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.816 -12.484 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.819 -13.302 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.824 -12.179 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.226 -13.464 0.888 1.00 0.00 H new ATOM 671 N ASP A 46 -0.922 -10.030 0.940 1.00 0.00 N ATOM 672 CA ASP A 46 -0.823 -8.998 1.958 1.00 0.00 C ATOM 673 C ASP A 46 0.224 -9.409 2.995 1.00 0.00 C ATOM 674 O ASP A 46 0.413 -8.722 3.998 1.00 0.00 O ATOM 675 CB ASP A 46 -2.157 -8.808 2.682 1.00 0.00 C ATOM 676 CG ASP A 46 -3.117 -7.818 2.019 1.00 0.00 C ATOM 677 OD1 ASP A 46 -3.275 -7.921 0.783 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.672 -6.981 2.763 1.00 0.00 O ATOM 0 H ASP A 46 -1.678 -10.700 1.084 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.544 -8.066 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.653 -9.776 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.957 -8.471 3.699 1.00 0.00 H new ATOM 683 N SER A 47 0.877 -10.528 2.718 1.00 0.00 N ATOM 684 CA SER A 47 1.900 -11.039 3.615 1.00 0.00 C ATOM 685 C SER A 47 3.276 -10.928 2.957 1.00 0.00 C ATOM 686 O SER A 47 4.300 -11.007 3.634 1.00 0.00 O ATOM 687 CB SER A 47 1.614 -12.491 4.006 1.00 0.00 C ATOM 688 OG SER A 47 0.712 -12.580 5.106 1.00 0.00 O ATOM 0 H SER A 47 0.718 -11.095 1.885 1.00 0.00 H new ATOM 0 HA SER A 47 1.890 -10.437 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.196 -13.021 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.549 -12.988 4.263 1.00 0.00 H new ATOM 0 HG SER A 47 0.554 -13.522 5.324 1.00 0.00 H new ATOM 694 N THR A 48 3.256 -10.746 1.645 1.00 0.00 N ATOM 695 CA THR A 48 4.490 -10.623 0.887 1.00 0.00 C ATOM 696 C THR A 48 5.214 -9.326 1.254 1.00 0.00 C ATOM 697 O THR A 48 4.594 -8.380 1.737 1.00 0.00 O ATOM 698 CB THR A 48 4.145 -10.726 -0.599 1.00 0.00 C ATOM 699 OG1 THR A 48 4.431 -12.083 -0.929 1.00 0.00 O ATOM 700 CG2 THR A 48 5.101 -9.919 -1.480 1.00 0.00 C ATOM 0 H THR A 48 2.405 -10.681 1.087 1.00 0.00 H new ATOM 0 HA THR A 48 5.185 -11.427 1.130 1.00 0.00 H new ATOM 0 HB THR A 48 3.124 -10.379 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.233 -12.238 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.811 -10.027 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.056 -8.867 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.118 -10.287 -1.346 1.00 0.00 H new ATOM 708 N ASP A 49 6.517 -9.324 1.012 1.00 0.00 N ATOM 709 CA ASP A 49 7.332 -8.159 1.311 1.00 0.00 C ATOM 710 C ASP A 49 7.910 -7.599 0.009 1.00 0.00 C ATOM 711 O ASP A 49 8.577 -8.314 -0.736 1.00 0.00 O ATOM 712 CB ASP A 49 8.500 -8.524 2.228 1.00 0.00 C ATOM 713 CG ASP A 49 8.632 -7.660 3.483 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.305 -6.611 3.382 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.056 -8.066 4.516 1.00 0.00 O ATOM 0 H ASP A 49 7.028 -10.111 0.612 1.00 0.00 H new ATOM 0 HA ASP A 49 6.700 -7.424 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.392 -9.565 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.426 -8.453 1.657 1.00 0.00 H new ATOM 720 N PHE A 50 7.633 -6.324 -0.224 1.00 0.00 N ATOM 721 CA PHE A 50 8.117 -5.660 -1.422 1.00 0.00 C ATOM 722 C PHE A 50 9.638 -5.784 -1.541 1.00 0.00 C ATOM 723 O PHE A 50 10.193 -5.640 -2.629 1.00 0.00 O ATOM 724 CB PHE A 50 7.746 -4.181 -1.295 1.00 0.00 C ATOM 725 CG PHE A 50 8.092 -3.345 -2.528 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.372 -3.492 -3.673 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.119 -2.454 -2.480 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.693 -2.715 -4.818 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.439 -1.678 -3.625 1.00 0.00 C ATOM 730 CZ PHE A 50 8.720 -1.825 -4.770 1.00 0.00 C ATOM 0 H PHE A 50 7.079 -5.734 0.397 1.00 0.00 H new ATOM 0 HA PHE A 50 7.672 -6.116 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.676 -4.101 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.258 -3.762 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.557 -4.199 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.691 -2.337 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.121 -2.831 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.254 -0.970 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.965 -1.235 -5.641 1.00 0.00 H new ATOM 740 N PHE A 51 10.268 -6.049 -0.406 1.00 0.00 N ATOM 741 CA PHE A 51 11.714 -6.194 -0.369 1.00 0.00 C ATOM 742 C PHE A 51 12.122 -7.659 -0.536 1.00 0.00 C ATOM 743 O PHE A 51 12.719 -8.030 -1.546 1.00 0.00 O ATOM 744 CB PHE A 51 12.178 -5.700 1.002 1.00 0.00 C ATOM 745 CG PHE A 51 11.941 -4.207 1.239 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.060 -3.328 0.208 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.611 -3.760 2.480 1.00 0.00 C ATOM 748 CE1 PHE A 51 11.840 -1.942 0.428 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.391 -2.374 2.700 1.00 0.00 C ATOM 750 CZ PHE A 51 11.510 -1.495 1.669 1.00 0.00 C ATOM 0 H PHE A 51 9.804 -6.167 0.495 1.00 0.00 H new ATOM 0 HA PHE A 51 12.166 -5.624 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.660 -6.267 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.242 -5.910 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.322 -3.684 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.516 -4.459 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.935 -1.243 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.129 -2.018 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.342 -0.441 1.836 1.00 0.00 H new ATOM 760 N LYS A 52 11.785 -8.452 0.470 1.00 0.00 N ATOM 761 CA LYS A 52 12.109 -9.868 0.448 1.00 0.00 C ATOM 762 C LYS A 52 11.853 -10.424 -0.954 1.00 0.00 C ATOM 763 O LYS A 52 12.621 -11.247 -1.450 1.00 0.00 O ATOM 764 CB LYS A 52 11.351 -10.609 1.551 1.00 0.00 C ATOM 765 CG LYS A 52 12.061 -10.463 2.898 1.00 0.00 C ATOM 766 CD LYS A 52 12.152 -8.993 3.313 1.00 0.00 C ATOM 767 CE LYS A 52 12.810 -8.850 4.687 1.00 0.00 C ATOM 768 NZ LYS A 52 14.281 -8.771 4.552 1.00 0.00 N ATOM 0 H LYS A 52 11.291 -8.141 1.306 1.00 0.00 H new ATOM 0 HA LYS A 52 13.167 -10.019 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.337 -10.217 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.267 -11.665 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.523 -11.027 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.062 -10.889 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.726 -8.437 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.154 -8.556 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.436 -7.955 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.542 -9.699 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.711 -8.674 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.635 -9.637 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.532 -7.946 3.970 1.00 0.00 H new ATOM 782 N SER A 53 10.770 -9.951 -1.555 1.00 0.00 N ATOM 783 CA SER A 53 10.403 -10.391 -2.890 1.00 0.00 C ATOM 784 C SER A 53 11.618 -10.319 -3.817 1.00 0.00 C ATOM 785 O SER A 53 11.945 -11.292 -4.495 1.00 0.00 O ATOM 786 CB SER A 53 9.256 -9.547 -3.451 1.00 0.00 C ATOM 787 OG SER A 53 7.995 -9.935 -2.913 1.00 0.00 O ATOM 0 H SER A 53 10.136 -9.268 -1.142 1.00 0.00 H new ATOM 0 HA SER A 53 10.062 -11.424 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.437 -8.495 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.232 -9.643 -4.536 1.00 0.00 H new ATOM 0 HG SER A 53 7.846 -9.473 -2.062 1.00 0.00 H new ATOM 793 N GLY A 54 12.254 -9.156 -3.818 1.00 0.00 N ATOM 794 CA GLY A 54 13.426 -8.945 -4.650 1.00 0.00 C ATOM 795 C GLY A 54 13.369 -7.581 -5.341 1.00 0.00 C ATOM 796 O GLY A 54 13.697 -7.464 -6.520 1.00 0.00 O ATOM 0 H GLY A 54 11.979 -8.350 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.327 -9.010 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.491 -9.734 -5.399 1.00 0.00 H new ATOM 800 N ALA A 55 12.950 -6.583 -4.576 1.00 0.00 N ATOM 801 CA ALA A 55 12.846 -5.232 -5.099 1.00 0.00 C ATOM 802 C ALA A 55 14.038 -4.407 -4.610 1.00 0.00 C ATOM 803 O ALA A 55 14.402 -4.471 -3.437 1.00 0.00 O ATOM 804 CB ALA A 55 11.506 -4.624 -4.681 1.00 0.00 C ATOM 0 H ALA A 55 12.679 -6.684 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 55 12.875 -5.239 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.428 -3.610 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.692 -5.230 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.442 -4.598 -3.593 1.00 0.00 H new ATOM 810 N ALA A 56 14.613 -3.651 -5.534 1.00 0.00 N ATOM 811 CA ALA A 56 15.756 -2.814 -5.212 1.00 0.00 C ATOM 812 C ALA A 56 15.267 -1.420 -4.815 1.00 0.00 C ATOM 813 O ALA A 56 14.105 -1.081 -5.033 1.00 0.00 O ATOM 814 CB ALA A 56 16.715 -2.778 -6.404 1.00 0.00 C ATOM 0 H ALA A 56 14.308 -3.601 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 56 16.305 -3.224 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.572 -2.150 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.057 -3.789 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.200 -2.370 -7.273 1.00 0.00 H new ATOM 820 N SER A 57 16.178 -0.650 -4.239 1.00 0.00 N ATOM 821 CA SER A 57 15.854 0.700 -3.810 1.00 0.00 C ATOM 822 C SER A 57 15.258 1.491 -4.976 1.00 0.00 C ATOM 823 O SER A 57 14.649 2.541 -4.772 1.00 0.00 O ATOM 824 CB SER A 57 17.090 1.415 -3.260 1.00 0.00 C ATOM 825 OG SER A 57 16.843 2.797 -3.016 1.00 0.00 O ATOM 0 H SER A 57 17.141 -0.935 -4.059 1.00 0.00 H new ATOM 0 HA SER A 57 15.118 0.637 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.405 0.934 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.913 1.313 -3.968 1.00 0.00 H new ATOM 0 HG SER A 57 17.655 3.217 -2.664 1.00 0.00 H new ATOM 831 N VAL A 58 15.454 0.958 -6.173 1.00 0.00 N ATOM 832 CA VAL A 58 14.943 1.601 -7.372 1.00 0.00 C ATOM 833 C VAL A 58 13.431 1.386 -7.455 1.00 0.00 C ATOM 834 O VAL A 58 12.664 2.348 -7.487 1.00 0.00 O ATOM 835 CB VAL A 58 15.690 1.082 -8.602 1.00 0.00 C ATOM 836 CG1 VAL A 58 14.715 0.736 -9.729 1.00 0.00 C ATOM 837 CG2 VAL A 58 16.738 2.092 -9.074 1.00 0.00 C ATOM 0 H VAL A 58 15.960 0.088 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 58 15.116 2.676 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 58 16.211 0.168 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.271 0.369 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.024 -0.035 -9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.154 1.627 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.254 1.698 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.248 3.030 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.459 2.268 -8.276 1.00 0.00 H new ATOM 847 N ASP A 59 13.046 0.119 -7.489 1.00 0.00 N ATOM 848 CA ASP A 59 11.639 -0.235 -7.569 1.00 0.00 C ATOM 849 C ASP A 59 10.854 0.579 -6.538 1.00 0.00 C ATOM 850 O ASP A 59 9.704 0.943 -6.775 1.00 0.00 O ATOM 851 CB ASP A 59 11.425 -1.718 -7.263 1.00 0.00 C ATOM 852 CG ASP A 59 10.977 -2.567 -8.454 1.00 0.00 C ATOM 853 OD1 ASP A 59 10.334 -1.985 -9.355 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.287 -3.777 -8.438 1.00 0.00 O ATOM 0 H ASP A 59 13.685 -0.676 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 59 11.295 -0.023 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.355 -2.130 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.680 -1.806 -6.473 1.00 0.00 H new ATOM 859 N VAL A 60 11.508 0.839 -5.415 1.00 0.00 N ATOM 860 CA VAL A 60 10.886 1.603 -4.347 1.00 0.00 C ATOM 861 C VAL A 60 10.263 2.873 -4.930 1.00 0.00 C ATOM 862 O VAL A 60 9.129 3.219 -4.603 1.00 0.00 O ATOM 863 CB VAL A 60 11.908 1.890 -3.245 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.329 2.840 -2.195 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.397 0.592 -2.600 1.00 0.00 C ATOM 0 H VAL A 60 12.462 0.534 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 60 10.082 1.029 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 60 12.767 2.381 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.075 3.028 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.053 3.782 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.446 2.388 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.122 0.824 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.551 0.062 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.867 -0.036 -3.357 1.00 0.00 H new ATOM 875 N VAL A 61 11.032 3.533 -5.783 1.00 0.00 N ATOM 876 CA VAL A 61 10.569 4.757 -6.415 1.00 0.00 C ATOM 877 C VAL A 61 9.532 4.413 -7.485 1.00 0.00 C ATOM 878 O VAL A 61 8.563 5.147 -7.675 1.00 0.00 O ATOM 879 CB VAL A 61 11.760 5.543 -6.967 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.321 6.918 -7.475 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.865 5.674 -5.917 1.00 0.00 C ATOM 0 H VAL A 61 11.973 3.244 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 61 10.080 5.403 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 61 12.165 4.987 -7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.186 7.456 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.585 6.794 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.878 7.484 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.700 6.237 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.476 6.197 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.207 4.682 -5.623 1.00 0.00 H new ATOM 891 N ARG A 62 9.770 3.297 -8.158 1.00 0.00 N ATOM 892 CA ARG A 62 8.868 2.846 -9.204 1.00 0.00 C ATOM 893 C ARG A 62 7.471 2.602 -8.632 1.00 0.00 C ATOM 894 O ARG A 62 6.482 3.110 -9.159 1.00 0.00 O ATOM 895 CB ARG A 62 9.378 1.559 -9.855 1.00 0.00 C ATOM 896 CG ARG A 62 9.057 1.535 -11.350 1.00 0.00 C ATOM 897 CD ARG A 62 9.783 0.384 -12.049 1.00 0.00 C ATOM 898 NE ARG A 62 8.844 -0.345 -12.931 1.00 0.00 N ATOM 899 CZ ARG A 62 9.223 -1.228 -13.865 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.524 -1.495 -14.046 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.302 -1.842 -14.619 1.00 0.00 N ATOM 0 H ARG A 62 10.575 2.691 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 62 8.822 3.628 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.455 1.476 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.923 0.696 -9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.981 1.431 -11.493 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.349 2.482 -11.803 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.618 0.771 -12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.201 -0.297 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 62 7.846 -0.164 -12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.225 -1.026 -13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.813 -2.167 -14.757 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.312 -1.637 -14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.590 -2.514 -15.330 1.00 0.00 H new ATOM 915 N LEU A 63 7.433 1.824 -7.560 1.00 0.00 N ATOM 916 CA LEU A 63 6.173 1.505 -6.911 1.00 0.00 C ATOM 917 C LEU A 63 5.469 2.803 -6.510 1.00 0.00 C ATOM 918 O LEU A 63 4.295 2.998 -6.821 1.00 0.00 O ATOM 919 CB LEU A 63 6.400 0.543 -5.743 1.00 0.00 C ATOM 920 CG LEU A 63 5.373 0.608 -4.611 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.988 0.179 -5.101 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.834 -0.214 -3.405 1.00 0.00 C ATOM 0 H LEU A 63 8.255 1.405 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 63 5.511 0.982 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.416 -0.474 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.387 0.739 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 63 5.292 1.644 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.277 0.234 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.665 0.841 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.034 -0.845 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.086 -0.151 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.962 -1.255 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.783 0.178 -3.039 1.00 0.00 H new ATOM 934 N VAL A 64 6.215 3.656 -5.824 1.00 0.00 N ATOM 935 CA VAL A 64 5.677 4.930 -5.377 1.00 0.00 C ATOM 936 C VAL A 64 5.225 5.742 -6.592 1.00 0.00 C ATOM 937 O VAL A 64 4.178 6.388 -6.557 1.00 0.00 O ATOM 938 CB VAL A 64 6.711 5.663 -4.520 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.121 6.941 -3.922 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.262 4.748 -3.424 1.00 0.00 C ATOM 0 H VAL A 64 7.188 3.490 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 64 4.802 4.775 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 64 7.541 5.948 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.877 7.442 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.800 7.604 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.265 6.688 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.995 5.293 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.446 4.418 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.738 3.880 -3.880 1.00 0.00 H new ATOM 950 N GLU A 65 6.035 5.683 -7.639 1.00 0.00 N ATOM 951 CA GLU A 65 5.731 6.405 -8.863 1.00 0.00 C ATOM 952 C GLU A 65 4.500 5.802 -9.543 1.00 0.00 C ATOM 953 O GLU A 65 3.673 6.526 -10.093 1.00 0.00 O ATOM 954 CB GLU A 65 6.933 6.412 -9.809 1.00 0.00 C ATOM 955 CG GLU A 65 7.977 7.437 -9.363 1.00 0.00 C ATOM 956 CD GLU A 65 7.919 8.693 -10.235 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.061 9.552 -9.938 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.735 8.766 -11.179 1.00 0.00 O ATOM 0 H GLU A 65 6.902 5.146 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 65 5.508 7.440 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.382 5.419 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.602 6.642 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.806 7.705 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.972 6.996 -9.420 1.00 0.00 H new ATOM 965 N GLU A 66 4.419 4.480 -9.483 1.00 0.00 N ATOM 966 CA GLU A 66 3.304 3.771 -10.087 1.00 0.00 C ATOM 967 C GLU A 66 1.998 4.131 -9.375 1.00 0.00 C ATOM 968 O GLU A 66 1.038 4.562 -10.011 1.00 0.00 O ATOM 969 CB GLU A 66 3.541 2.260 -10.068 1.00 0.00 C ATOM 970 CG GLU A 66 4.466 1.836 -11.210 1.00 0.00 C ATOM 971 CD GLU A 66 3.802 0.774 -12.089 1.00 0.00 C ATOM 972 OE1 GLU A 66 2.694 1.064 -12.590 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.417 -0.304 -12.240 1.00 0.00 O ATOM 0 H GLU A 66 5.107 3.882 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 66 3.223 4.080 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.979 1.969 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.588 1.738 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.724 2.705 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.398 1.444 -10.802 1.00 0.00 H new ATOM 980 N VAL A 67 2.005 3.940 -8.064 1.00 0.00 N ATOM 981 CA VAL A 67 0.833 4.238 -7.258 1.00 0.00 C ATOM 982 C VAL A 67 0.482 5.720 -7.405 1.00 0.00 C ATOM 983 O VAL A 67 -0.654 6.121 -7.156 1.00 0.00 O ATOM 984 CB VAL A 67 1.077 3.823 -5.806 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.148 4.119 -4.938 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.469 2.347 -5.716 1.00 0.00 C ATOM 0 H VAL A 67 2.804 3.583 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.026 3.664 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 67 1.909 4.414 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.052 3.815 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.363 5.187 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.006 3.566 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.637 2.078 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.667 1.732 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.383 2.178 -6.286 1.00 0.00 H new ATOM 996 N LYS A 68 1.479 6.494 -7.810 1.00 0.00 N ATOM 997 CA LYS A 68 1.290 7.923 -7.994 1.00 0.00 C ATOM 998 C LYS A 68 0.268 8.159 -9.109 1.00 0.00 C ATOM 999 O LYS A 68 -0.597 9.025 -8.990 1.00 0.00 O ATOM 1000 CB LYS A 68 2.633 8.614 -8.234 1.00 0.00 C ATOM 1001 CG LYS A 68 2.987 9.543 -7.071 1.00 0.00 C ATOM 1002 CD LYS A 68 4.226 9.041 -6.326 1.00 0.00 C ATOM 1003 CE LYS A 68 4.985 10.202 -5.681 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.141 9.698 -4.906 1.00 0.00 N ATOM 0 H LYS A 68 2.420 6.158 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 68 0.883 8.373 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.415 7.865 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.591 9.186 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.168 10.550 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.145 9.606 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.929 8.325 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.882 8.513 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.329 10.892 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.317 10.762 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.848 10.454 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.822 9.396 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.566 8.890 -5.403 1.00 0.00 H new ATOM 1018 N GLU A 69 0.403 7.373 -10.167 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.497 7.485 -11.302 1.00 0.00 C ATOM 1020 C GLU A 69 -1.888 6.968 -10.930 1.00 0.00 C ATOM 1021 O GLU A 69 -2.884 7.366 -11.532 1.00 0.00 O ATOM 1022 CB GLU A 69 0.058 6.740 -12.518 1.00 0.00 C ATOM 1023 CG GLU A 69 1.512 7.132 -12.784 1.00 0.00 C ATOM 1024 CD GLU A 69 1.638 7.917 -14.092 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.733 7.251 -15.146 1.00 0.00 O ATOM 1026 OE2 GLU A 69 1.635 9.164 -14.008 1.00 0.00 O ATOM 0 H GLU A 69 1.122 6.656 -10.262 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.582 8.538 -11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.008 5.665 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.549 6.965 -13.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.887 7.734 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.131 6.236 -12.832 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.912 6.089 -9.939 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.164 5.513 -9.479 1.00 0.00 C ATOM 1035 C LEU A 70 -4.051 6.621 -8.909 1.00 0.00 C ATOM 1036 O LEU A 70 -5.217 6.742 -9.282 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.900 4.370 -8.497 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.537 3.020 -9.119 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.380 1.945 -8.043 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.556 2.618 -10.188 1.00 0.00 C ATOM 0 H LEU A 70 -1.084 5.762 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.707 5.067 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.091 4.670 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.788 4.236 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.572 3.121 -9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.122 0.996 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.589 2.235 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.317 1.837 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.275 1.655 -10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.545 2.540 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.574 3.372 -10.975 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.465 7.402 -8.014 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.188 8.497 -7.388 1.00 0.00 C ATOM 1054 C CYS A 71 -3.875 9.781 -8.158 1.00 0.00 C ATOM 1055 O CYS A 71 -4.410 10.844 -7.844 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.846 8.625 -5.902 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.247 9.381 -5.000 1.00 0.00 S ATOM 0 H CYS A 71 -2.498 7.299 -7.707 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.259 8.300 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.623 7.643 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.951 9.235 -5.778 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.947 9.483 -3.739 1.00 0.00 H new ATOM 1063 N ASP A 72 -3.009 9.642 -9.152 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.619 10.778 -9.969 1.00 0.00 C ATOM 1065 C ASP A 72 -1.938 11.826 -9.086 1.00 0.00 C ATOM 1066 O ASP A 72 -2.486 12.904 -8.861 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.838 11.431 -10.623 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.553 12.742 -11.358 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -3.015 12.657 -12.483 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.880 13.800 -10.778 1.00 0.00 O ATOM 0 H ASP A 72 -2.567 8.760 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.943 10.419 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.275 10.724 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.587 11.619 -9.854 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.753 11.473 -8.611 1.00 0.00 N ATOM 1076 CA GLY A 73 0.009 12.369 -7.758 1.00 0.00 C ATOM 1077 C GLY A 73 -0.179 12.013 -6.282 1.00 0.00 C ATOM 1078 O GLY A 73 -0.309 12.898 -5.437 1.00 0.00 O ATOM 0 H GLY A 73 -0.301 10.578 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.066 12.312 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.307 13.398 -7.931 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.188 10.715 -6.016 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.358 10.231 -4.656 1.00 0.00 C ATOM 1084 C LEU A 74 0.754 10.801 -3.774 1.00 0.00 C ATOM 1085 O LEU A 74 1.911 10.861 -4.187 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.436 8.703 -4.637 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.483 8.051 -3.254 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.697 8.536 -2.460 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.443 6.526 -3.365 1.00 0.00 C ATOM 0 H LEU A 74 -0.080 9.984 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.304 10.581 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.323 8.397 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.427 8.308 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 74 0.406 8.357 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.706 8.057 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.641 9.617 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.610 8.280 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.478 6.088 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.300 6.181 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.477 6.221 -3.863 1.00 0.00 H new ATOM 1101 N GLU A 75 0.364 11.206 -2.574 1.00 0.00 N ATOM 1102 CA GLU A 75 1.314 11.770 -1.629 1.00 0.00 C ATOM 1103 C GLU A 75 2.139 10.657 -0.979 1.00 0.00 C ATOM 1104 O GLU A 75 2.162 10.531 0.245 1.00 0.00 O ATOM 1105 CB GLU A 75 0.600 12.613 -0.571 1.00 0.00 C ATOM 1106 CG GLU A 75 0.451 14.063 -1.034 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.372 14.877 -0.033 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.107 14.721 1.179 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.247 15.636 -0.502 1.00 0.00 O ATOM 0 H GLU A 75 -0.596 11.155 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 75 1.992 12.428 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.384 12.190 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.161 12.582 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.436 14.514 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.030 14.089 -2.012 1.00 0.00 H new ATOM 1116 N LEU A 76 2.797 9.880 -1.826 1.00 0.00 N ATOM 1117 CA LEU A 76 3.621 8.782 -1.349 1.00 0.00 C ATOM 1118 C LEU A 76 5.095 9.186 -1.427 1.00 0.00 C ATOM 1119 O LEU A 76 5.467 10.037 -2.233 1.00 0.00 O ATOM 1120 CB LEU A 76 3.295 7.496 -2.112 1.00 0.00 C ATOM 1121 CG LEU A 76 3.649 6.188 -1.402 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.640 5.873 -0.297 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.780 5.039 -2.404 1.00 0.00 C ATOM 0 H LEU A 76 2.777 9.989 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 76 3.403 8.568 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.228 7.489 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.819 7.521 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 76 4.621 6.311 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.915 4.938 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.640 6.679 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.644 5.777 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.032 4.121 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.835 4.906 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.566 5.271 -3.122 1.00 0.00 H new ATOM 1135 N GLU A 77 5.893 8.556 -0.578 1.00 0.00 N ATOM 1136 CA GLU A 77 7.318 8.839 -0.540 1.00 0.00 C ATOM 1137 C GLU A 77 8.110 7.549 -0.318 1.00 0.00 C ATOM 1138 O GLU A 77 7.638 6.636 0.357 1.00 0.00 O ATOM 1139 CB GLU A 77 7.643 9.874 0.539 1.00 0.00 C ATOM 1140 CG GLU A 77 6.568 9.888 1.628 1.00 0.00 C ATOM 1141 CD GLU A 77 6.936 10.860 2.750 1.00 0.00 C ATOM 1142 OE1 GLU A 77 6.736 12.075 2.537 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.409 10.366 3.796 1.00 0.00 O ATOM 0 H GLU A 77 5.580 7.851 0.089 1.00 0.00 H new ATOM 0 HA GLU A 77 7.610 9.261 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.613 9.649 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.721 10.863 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.610 10.174 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.446 8.885 2.037 1.00 0.00 H new ATOM 1150 N ASN A 78 9.300 7.516 -0.900 1.00 0.00 N ATOM 1151 CA ASN A 78 10.162 6.353 -0.774 1.00 0.00 C ATOM 1152 C ASN A 78 10.108 5.836 0.665 1.00 0.00 C ATOM 1153 O ASN A 78 10.223 4.635 0.902 1.00 0.00 O ATOM 1154 CB ASN A 78 11.615 6.707 -1.095 1.00 0.00 C ATOM 1155 CG ASN A 78 11.732 7.337 -2.485 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.385 6.746 -3.494 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.238 8.567 -2.480 1.00 0.00 N ATOM 0 H ASN A 78 9.687 8.276 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 78 9.812 5.596 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.999 7.399 -0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.231 5.809 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.356 9.074 -3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.508 9.004 -1.599 1.00 0.00 H new ATOM 1164 N GLU A 79 9.934 6.770 1.589 1.00 0.00 N ATOM 1165 CA GLU A 79 9.863 6.424 2.998 1.00 0.00 C ATOM 1166 C GLU A 79 8.705 5.457 3.251 1.00 0.00 C ATOM 1167 O GLU A 79 8.879 4.433 3.909 1.00 0.00 O ATOM 1168 CB GLU A 79 9.729 7.679 3.864 1.00 0.00 C ATOM 1169 CG GLU A 79 10.940 7.841 4.785 1.00 0.00 C ATOM 1170 CD GLU A 79 10.565 8.609 6.054 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.538 8.235 6.661 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.313 9.553 6.389 1.00 0.00 O ATOM 0 H GLU A 79 9.840 7.766 1.389 1.00 0.00 H new ATOM 0 HA GLU A 79 10.792 5.927 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.633 8.557 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.819 7.618 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.332 6.860 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.734 8.369 4.258 1.00 0.00 H new ATOM 1179 N ASP A 80 7.548 5.817 2.713 1.00 0.00 N ATOM 1180 CA ASP A 80 6.361 4.994 2.872 1.00 0.00 C ATOM 1181 C ASP A 80 6.730 3.526 2.647 1.00 0.00 C ATOM 1182 O ASP A 80 6.366 2.662 3.443 1.00 0.00 O ATOM 1183 CB ASP A 80 5.287 5.373 1.851 1.00 0.00 C ATOM 1184 CG ASP A 80 5.308 4.557 0.557 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.204 4.828 -0.271 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.428 3.679 0.425 1.00 0.00 O ATOM 0 H ASP A 80 7.408 6.667 2.167 1.00 0.00 H new ATOM 0 HA ASP A 80 5.973 5.152 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.308 5.261 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.402 6.427 1.600 1.00 0.00 H new ATOM 1191 N VAL A 81 7.448 3.289 1.559 1.00 0.00 N ATOM 1192 CA VAL A 81 7.870 1.941 1.219 1.00 0.00 C ATOM 1193 C VAL A 81 8.748 1.388 2.343 1.00 0.00 C ATOM 1194 O VAL A 81 8.532 0.272 2.813 1.00 0.00 O ATOM 1195 CB VAL A 81 8.569 1.939 -0.142 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.983 0.522 -0.543 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.683 2.576 -1.214 1.00 0.00 C ATOM 0 H VAL A 81 7.748 4.008 0.901 1.00 0.00 H new ATOM 0 HA VAL A 81 7.007 1.282 1.127 1.00 0.00 H new ATOM 0 HB VAL A 81 9.474 2.540 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.478 0.548 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.668 0.118 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.098 -0.112 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.203 2.562 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.753 2.014 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.461 3.607 -0.937 1.00 0.00 H new ATOM 1207 N TYR A 82 9.721 2.194 2.742 1.00 0.00 N ATOM 1208 CA TYR A 82 10.633 1.799 3.802 1.00 0.00 C ATOM 1209 C TYR A 82 9.877 1.539 5.107 1.00 0.00 C ATOM 1210 O TYR A 82 10.404 0.901 6.017 1.00 0.00 O ATOM 1211 CB TYR A 82 11.583 2.982 4.004 1.00 0.00 C ATOM 1212 CG TYR A 82 12.345 3.390 2.742 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.506 2.487 1.711 1.00 0.00 C ATOM 1214 CD2 TYR A 82 12.872 4.661 2.635 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.224 2.871 0.523 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.590 5.045 1.447 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.730 4.131 0.450 1.00 0.00 C ATOM 1218 OH TYR A 82 14.408 4.494 -0.672 1.00 0.00 O ATOM 0 H TYR A 82 9.898 3.119 2.350 1.00 0.00 H new ATOM 0 HA TYR A 82 11.158 0.882 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.011 3.837 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.301 2.729 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.094 1.492 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.746 5.368 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.357 2.174 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.008 6.036 1.350 1.00 0.00 H new ATOM 0 HH TYR A 82 14.711 5.422 -0.585 1.00 0.00 H new ATOM 1228 N MET A 83 8.655 2.047 5.157 1.00 0.00 N ATOM 1229 CA MET A 83 7.821 1.878 6.335 1.00 0.00 C ATOM 1230 C MET A 83 6.926 0.645 6.201 1.00 0.00 C ATOM 1231 O MET A 83 6.818 -0.153 7.131 1.00 0.00 O ATOM 1232 CB MET A 83 6.951 3.122 6.528 1.00 0.00 C ATOM 1233 CG MET A 83 7.188 3.748 7.904 1.00 0.00 C ATOM 1234 SD MET A 83 7.009 2.509 9.177 1.00 0.00 S ATOM 1235 CE MET A 83 8.619 2.615 9.941 1.00 0.00 C ATOM 0 H MET A 83 8.222 2.576 4.400 1.00 0.00 H new ATOM 0 HA MET A 83 8.470 1.740 7.200 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.175 3.851 5.749 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.900 2.855 6.422 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.186 4.184 7.947 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.478 4.558 8.071 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.752 1.779 10.627 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.390 2.579 9.171 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.700 3.552 10.491 1.00 0.00 H new ATOM 1245 N ALA A 84 6.307 0.526 5.035 1.00 0.00 N ATOM 1246 CA ALA A 84 5.425 -0.597 4.767 1.00 0.00 C ATOM 1247 C ALA A 84 5.990 -1.418 3.606 1.00 0.00 C ATOM 1248 O ALA A 84 5.587 -1.235 2.458 1.00 0.00 O ATOM 1249 CB ALA A 84 4.013 -0.080 4.483 1.00 0.00 C ATOM 0 H ALA A 84 6.399 1.189 4.265 1.00 0.00 H new ATOM 0 HA ALA A 84 5.364 -1.253 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.351 -0.922 4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.646 0.471 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.035 0.580 3.616 1.00 0.00 H new ATOM 1255 N SER A 85 6.914 -2.305 3.945 1.00 0.00 N ATOM 1256 CA SER A 85 7.538 -3.154 2.945 1.00 0.00 C ATOM 1257 C SER A 85 6.525 -4.171 2.416 1.00 0.00 C ATOM 1258 O SER A 85 6.509 -4.474 1.224 1.00 0.00 O ATOM 1259 CB SER A 85 8.761 -3.873 3.519 1.00 0.00 C ATOM 1260 OG SER A 85 8.414 -4.744 4.592 1.00 0.00 O ATOM 0 H SER A 85 7.245 -2.454 4.898 1.00 0.00 H new ATOM 0 HA SER A 85 7.874 -2.523 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.248 -4.446 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.483 -3.136 3.870 1.00 0.00 H new ATOM 0 HG SER A 85 8.995 -5.533 4.574 1.00 0.00 H new ATOM 1266 N THR A 86 5.704 -4.670 3.328 1.00 0.00 N ATOM 1267 CA THR A 86 4.690 -5.647 2.969 1.00 0.00 C ATOM 1268 C THR A 86 3.471 -4.950 2.361 1.00 0.00 C ATOM 1269 O THR A 86 3.081 -3.872 2.807 1.00 0.00 O ATOM 1270 CB THR A 86 4.361 -6.469 4.216 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.407 -5.520 5.279 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.463 -7.472 4.564 1.00 0.00 C ATOM 0 H THR A 86 5.720 -4.416 4.316 1.00 0.00 H new ATOM 0 HA THR A 86 5.053 -6.329 2.200 1.00 0.00 H new ATOM 0 HB THR A 86 3.422 -7.001 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.203 -5.968 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.179 -8.029 5.457 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.601 -8.164 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.395 -6.938 4.750 1.00 0.00 H new ATOM 1280 N PHE A 87 2.903 -5.595 1.352 1.00 0.00 N ATOM 1281 CA PHE A 87 1.736 -5.051 0.679 1.00 0.00 C ATOM 1282 C PHE A 87 0.604 -4.784 1.673 1.00 0.00 C ATOM 1283 O PHE A 87 0.042 -3.690 1.700 1.00 0.00 O ATOM 1284 CB PHE A 87 1.273 -6.101 -0.333 1.00 0.00 C ATOM 1285 CG PHE A 87 0.085 -5.659 -1.190 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.295 -4.931 -2.319 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.181 -5.994 -0.822 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.808 -4.521 -3.114 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.283 -5.584 -1.617 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.074 -4.856 -2.747 1.00 0.00 C ATOM 0 H PHE A 87 3.229 -6.489 0.985 1.00 0.00 H new ATOM 0 HA PHE A 87 1.991 -4.107 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.107 -6.352 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.003 -7.012 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.300 -4.665 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.348 -6.572 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.641 -3.943 -4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.288 -5.850 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.913 -4.544 -3.352 1.00 0.00 H new ATOM 1300 N GLY A 88 0.303 -5.802 2.465 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.752 -5.691 3.459 1.00 0.00 C ATOM 1302 C GLY A 88 -0.607 -4.403 4.270 1.00 0.00 C ATOM 1303 O GLY A 88 -1.553 -3.624 4.379 1.00 0.00 O ATOM 0 H GLY A 88 0.771 -6.708 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.724 -5.707 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.719 -6.551 4.127 1.00 0.00 H new ATOM 1307 N ASP A 89 0.584 -4.218 4.820 1.00 0.00 N ATOM 1308 CA ASP A 89 0.865 -3.037 5.618 1.00 0.00 C ATOM 1309 C ASP A 89 0.832 -1.799 4.719 1.00 0.00 C ATOM 1310 O ASP A 89 0.325 -0.751 5.118 1.00 0.00 O ATOM 1311 CB ASP A 89 2.253 -3.120 6.256 1.00 0.00 C ATOM 1312 CG ASP A 89 2.319 -2.680 7.720 1.00 0.00 C ATOM 1313 OD1 ASP A 89 2.171 -1.460 7.953 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.516 -3.572 8.573 1.00 0.00 O ATOM 0 H ASP A 89 1.366 -4.867 4.729 1.00 0.00 H new ATOM 0 HA ASP A 89 0.111 -2.974 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.608 -4.148 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.940 -2.504 5.676 1.00 0.00 H new ATOM 1319 N PHE A 90 1.379 -1.960 3.524 1.00 0.00 N ATOM 1320 CA PHE A 90 1.418 -0.869 2.565 1.00 0.00 C ATOM 1321 C PHE A 90 0.007 -0.385 2.227 1.00 0.00 C ATOM 1322 O PHE A 90 -0.289 0.804 2.336 1.00 0.00 O ATOM 1323 CB PHE A 90 2.076 -1.412 1.295 1.00 0.00 C ATOM 1324 CG PHE A 90 2.264 -0.366 0.195 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.406 0.373 0.147 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.291 -0.173 -0.734 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.581 1.344 -0.873 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.466 0.798 -1.755 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.607 1.536 -1.803 1.00 0.00 C ATOM 0 H PHE A 90 1.799 -2.830 3.197 1.00 0.00 H new ATOM 0 HA PHE A 90 1.972 -0.028 2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.048 -1.832 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.469 -2.229 0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.179 0.220 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.384 -0.758 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.487 1.930 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.693 0.950 -2.494 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.740 2.275 -2.580 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.828 -1.331 1.823 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.201 -1.016 1.468 1.00 0.00 C ATOM 1341 C ILE A 91 -2.790 -0.069 2.516 1.00 0.00 C ATOM 1342 O ILE A 91 -3.256 1.019 2.181 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.012 -2.299 1.275 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.622 -3.004 -0.026 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.514 -2.014 1.343 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.992 -2.154 -1.243 1.00 0.00 C ATOM 0 H ILE A 91 -0.580 -2.316 1.734 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.237 -0.496 0.511 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.775 -2.979 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.550 -3.202 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.125 -3.969 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.067 -2.943 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.760 -1.588 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.786 -1.308 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.704 -2.678 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.068 -1.978 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.468 -1.199 -1.193 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.750 -0.517 3.762 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.273 0.277 4.860 1.00 0.00 C ATOM 1360 C GLN A 92 -2.751 1.713 4.773 1.00 0.00 C ATOM 1361 O GLN A 92 -3.524 2.665 4.871 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.921 -0.353 6.209 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.961 -1.399 6.614 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.503 -2.137 5.388 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -3.796 -2.858 4.703 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.793 -1.917 5.150 1.00 0.00 N ATOM 0 H GLN A 92 -2.363 -1.420 4.035 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.360 0.301 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.936 -0.817 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.864 0.423 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.513 -2.114 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.782 -0.915 7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.327 -1.302 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.248 -2.364 4.354 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.444 1.823 4.588 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.810 3.127 4.487 1.00 0.00 C ATOM 1377 C LEU A 93 -1.345 3.854 3.251 1.00 0.00 C ATOM 1378 O LEU A 93 -1.675 5.037 3.318 1.00 0.00 O ATOM 1379 CB LEU A 93 0.713 2.985 4.505 1.00 0.00 C ATOM 1380 CG LEU A 93 1.490 3.973 3.633 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.775 4.426 4.329 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.765 3.384 2.248 1.00 0.00 C ATOM 0 H LEU A 93 -0.807 1.031 4.505 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.060 3.741 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.056 3.092 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.967 1.974 4.188 1.00 0.00 H new ATOM 0 HG LEU A 93 0.873 4.860 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.308 5.128 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.526 4.913 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.408 3.560 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.318 4.107 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.353 2.472 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.820 3.153 1.757 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.414 3.116 2.153 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.903 3.676 0.905 1.00 0.00 C ATOM 1396 C LEU A 94 -3.341 4.161 1.097 1.00 0.00 C ATOM 1397 O LEU A 94 -3.634 5.339 0.902 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.741 2.668 -0.235 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.693 2.837 -1.421 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.199 3.932 -2.368 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.909 1.507 -2.145 1.00 0.00 C ATOM 0 H LEU A 94 -1.139 2.135 2.102 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.309 4.544 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.717 2.729 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.874 1.665 0.172 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.663 3.156 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.893 4.032 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.139 4.878 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.212 3.667 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.589 1.655 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.954 1.135 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.338 0.782 -1.454 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.201 3.227 1.478 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.601 3.544 1.699 1.00 0.00 C ATOM 1415 C VAL A 95 -5.704 4.810 2.553 1.00 0.00 C ATOM 1416 O VAL A 95 -6.600 5.628 2.350 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.318 2.344 2.320 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.730 2.722 2.771 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.351 1.162 1.348 1.00 0.00 C ATOM 0 H VAL A 95 -3.954 2.250 1.639 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.100 3.749 0.752 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.756 2.037 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.218 1.851 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.674 3.518 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.306 3.067 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.866 0.322 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.879 1.453 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.332 0.869 1.097 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.776 4.930 3.490 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.751 6.081 4.376 1.00 0.00 C ATOM 1431 C ARG A 96 -4.468 7.357 3.580 1.00 0.00 C ATOM 1432 O ARG A 96 -5.159 8.361 3.745 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.684 5.919 5.461 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.325 5.645 6.823 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.324 4.994 7.779 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.715 5.262 9.181 1.00 0.00 N ATOM 1437 CZ ARG A 96 -3.729 6.480 9.738 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -3.373 7.551 9.014 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.098 6.629 11.017 1.00 0.00 N ATOM 0 H ARG A 96 -4.035 4.249 3.655 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.729 6.154 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.015 5.100 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.076 6.822 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.689 6.579 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.190 4.994 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.286 3.919 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.323 5.383 7.591 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.991 4.469 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.092 7.438 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.383 8.479 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.369 5.814 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.108 7.557 11.440 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.452 7.276 2.734 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.070 8.412 1.912 1.00 0.00 C ATOM 1455 C LYS A 97 -4.184 8.705 0.906 1.00 0.00 C ATOM 1456 O LYS A 97 -4.399 9.857 0.530 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.705 8.170 1.266 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.599 8.116 2.322 1.00 0.00 C ATOM 1459 CD LYS A 97 0.391 6.989 2.022 1.00 0.00 C ATOM 1460 CE LYS A 97 1.610 7.070 2.944 1.00 0.00 C ATOM 1461 NZ LYS A 97 2.175 8.438 2.936 1.00 0.00 N ATOM 0 H LYS A 97 -2.881 6.441 2.600 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.952 9.305 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.724 7.235 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.491 8.965 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.072 9.070 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.039 7.965 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.101 6.025 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.712 7.050 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.325 6.794 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.367 6.356 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.169 8.405 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.120 8.831 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.634 9.041 3.588 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.863 7.643 0.497 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.950 7.773 -0.459 1.00 0.00 C ATOM 1477 C LEU A 98 -7.144 8.446 0.221 1.00 0.00 C ATOM 1478 O LEU A 98 -7.661 9.447 -0.274 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.282 6.414 -1.080 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.210 5.814 -1.992 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.739 4.576 -2.718 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.670 6.863 -2.967 1.00 0.00 C ATOM 0 H LEU A 98 -4.682 6.689 0.810 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.653 8.414 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.482 5.708 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.204 6.514 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.374 5.491 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.958 4.169 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.036 3.824 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.601 4.851 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.910 6.411 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.485 7.238 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.230 7.688 -2.407 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.547 7.870 1.344 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.670 8.403 2.096 1.00 0.00 C ATOM 1496 C ARG A 99 -8.458 9.890 2.387 1.00 0.00 C ATOM 1497 O ARG A 99 -9.355 10.703 2.171 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.853 7.653 3.417 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.539 6.304 3.191 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.856 5.620 4.523 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.071 4.171 4.309 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.544 3.336 5.244 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.855 3.801 6.462 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.707 2.037 4.962 1.00 0.00 N ATOM 0 H ARG A 99 -7.116 7.040 1.751 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.566 8.273 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.883 7.497 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.447 8.257 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.459 6.450 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.895 5.660 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.037 5.775 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.745 6.066 4.968 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.845 3.784 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.732 4.790 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.215 3.165 7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.471 1.683 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.067 1.402 5.674 1.00 0.00 H new