USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 135:sc= 0.0498 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 24:sc= 0.659 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -135:sc= -8.91! (180deg=-12.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.983 (180deg=-1.57!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.48! C(o=-5.5!,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 117:sc= 0.597 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.36 USER MOD Single : A 64 TYR OH : rot 133:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.123 F(o=-1.1,f=-0.12) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.026 2.637 -4.333 1.00 0.00 N ATOM 61 CA ILE A 5 59.488 2.493 -4.389 1.00 0.00 C ATOM 62 C ILE A 5 59.839 1.259 -5.216 1.00 0.00 C ATOM 63 O ILE A 5 59.032 0.365 -5.376 1.00 0.00 O ATOM 64 CB ILE A 5 60.143 2.429 -2.977 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.505 3.840 -2.510 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.333 1.457 -2.840 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.547 3.868 -1.399 1.00 0.00 C ATOM 0 HA ILE A 5 59.896 3.384 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 5 59.388 2.000 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.878 4.410 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.602 4.341 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.714 1.490 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 5 61.004 0.444 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 5 62.123 1.749 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.753 4.901 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.169 3.326 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.465 3.397 -1.749 1.00 0.00 H new ATOM 79 N THR A 6 61.092 1.280 -5.701 1.00 0.00 N ATOM 80 CA THR A 6 61.691 0.127 -6.345 1.00 0.00 C ATOM 81 C THR A 6 63.040 -0.100 -5.666 1.00 0.00 C ATOM 82 O THR A 6 63.783 0.842 -5.429 1.00 0.00 O ATOM 83 CB THR A 6 61.818 0.430 -7.842 1.00 0.00 C ATOM 84 OG1 THR A 6 60.551 0.768 -8.347 1.00 0.00 O ATOM 85 CG2 THR A 6 62.349 -0.747 -8.666 1.00 0.00 C ATOM 0 H THR A 6 61.703 2.095 -5.652 1.00 0.00 H new ATOM 0 HA THR A 6 61.096 -0.781 -6.250 1.00 0.00 H new ATOM 0 HB THR A 6 62.535 1.246 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.627 1.560 -8.919 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.412 -0.458 -9.715 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.340 -1.025 -8.307 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.674 -1.597 -8.564 1.00 0.00 H new ATOM 93 N LEU A 7 63.311 -1.388 -5.344 1.00 0.00 N ATOM 94 CA LEU A 7 64.589 -1.753 -4.738 1.00 0.00 C ATOM 95 C LEU A 7 65.199 -2.959 -5.448 1.00 0.00 C ATOM 96 O LEU A 7 64.580 -3.586 -6.296 1.00 0.00 O ATOM 97 CB LEU A 7 64.419 -2.091 -3.256 1.00 0.00 C ATOM 98 CG LEU A 7 63.588 -1.053 -2.505 1.00 0.00 C ATOM 99 CD1 LEU A 7 62.301 -1.671 -2.002 1.00 0.00 C ATOM 100 CD2 LEU A 7 64.373 -0.430 -1.377 1.00 0.00 C ATOM 0 H LEU A 7 62.670 -2.167 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 7 65.251 -0.893 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 7 63.943 -3.067 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.402 -2.169 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 7 63.334 -0.254 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 7 61.720 -0.918 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 7 61.722 -2.045 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 7 62.533 -2.495 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 7 63.752 0.304 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 7 64.676 -1.205 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 7 65.259 0.062 -1.779 1.00 0.00 H new ATOM 112 N LYS A 8 66.451 -3.240 -5.021 1.00 0.00 N ATOM 113 CA LYS A 8 67.181 -4.370 -5.571 1.00 0.00 C ATOM 114 C LYS A 8 68.353 -4.699 -4.656 1.00 0.00 C ATOM 115 O LYS A 8 69.195 -3.859 -4.413 1.00 0.00 O ATOM 116 CB LYS A 8 67.725 -3.988 -6.952 1.00 0.00 C ATOM 117 CG LYS A 8 68.158 -5.192 -7.801 1.00 0.00 C ATOM 118 CD LYS A 8 68.079 -4.894 -9.310 1.00 0.00 C ATOM 119 CE LYS A 8 69.351 -5.194 -10.097 1.00 0.00 C ATOM 120 NZ LYS A 8 69.218 -6.453 -10.821 1.00 0.00 N ATOM 0 H LYS A 8 66.955 -2.705 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 8 66.519 -5.232 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 8 66.960 -3.430 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.577 -3.320 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.179 -5.471 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.524 -6.047 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.261 -5.474 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.827 -3.842 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.552 -4.384 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.202 -5.246 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.092 -6.642 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.048 -7.226 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.418 -6.390 -11.483 1.00 0.00 H new ATOM 218 N THR A 14 65.026 -8.515 -6.987 1.00 0.00 N ATOM 219 CA THR A 14 64.486 -7.187 -7.256 1.00 0.00 C ATOM 220 C THR A 14 62.992 -7.171 -6.909 1.00 0.00 C ATOM 221 O THR A 14 62.264 -8.116 -7.185 1.00 0.00 O ATOM 222 CB THR A 14 64.687 -6.808 -8.736 1.00 0.00 C ATOM 223 OG1 THR A 14 65.790 -7.498 -9.275 1.00 0.00 O ATOM 224 CG2 THR A 14 64.868 -5.297 -8.907 1.00 0.00 C ATOM 0 HA THR A 14 65.014 -6.457 -6.642 1.00 0.00 H new ATOM 0 HB THR A 14 63.788 -7.100 -9.279 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.947 -8.317 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.007 -5.064 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.983 -4.780 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.742 -4.969 -8.345 1.00 0.00 H new ATOM 232 N PHE A 15 62.597 -6.042 -6.286 1.00 0.00 N ATOM 233 CA PHE A 15 61.218 -5.868 -5.846 1.00 0.00 C ATOM 234 C PHE A 15 60.943 -4.362 -5.688 1.00 0.00 C ATOM 235 O PHE A 15 61.611 -3.535 -6.291 1.00 0.00 O ATOM 236 CB PHE A 15 60.976 -6.690 -4.566 1.00 0.00 C ATOM 237 CG PHE A 15 62.071 -6.506 -3.550 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.023 -5.461 -2.632 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.141 -7.396 -3.510 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.026 -5.319 -1.686 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.139 -7.257 -2.559 1.00 0.00 C ATOM 242 CZ PHE A 15 64.076 -6.221 -1.642 1.00 0.00 C ATOM 0 H PHE A 15 63.211 -5.253 -6.083 1.00 0.00 H new ATOM 0 HA PHE A 15 60.508 -6.247 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.023 -6.399 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.898 -7.746 -4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.202 -4.759 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.194 -8.202 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 15 62.989 -4.502 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.963 -7.954 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.846 -6.116 -0.892 1.00 0.00 H new ATOM 252 N LYS A 16 59.906 -4.067 -4.874 1.00 0.00 N ATOM 253 CA LYS A 16 59.425 -2.709 -4.693 1.00 0.00 C ATOM 254 C LYS A 16 58.564 -2.669 -3.430 1.00 0.00 C ATOM 255 O LYS A 16 58.102 -3.690 -2.938 1.00 0.00 O ATOM 256 CB LYS A 16 58.617 -2.247 -5.924 1.00 0.00 C ATOM 257 CG LYS A 16 57.902 -3.345 -6.707 1.00 0.00 C ATOM 258 CD LYS A 16 56.661 -3.865 -5.982 1.00 0.00 C ATOM 259 CE LYS A 16 55.520 -2.842 -6.010 1.00 0.00 C ATOM 260 NZ LYS A 16 54.219 -3.487 -6.084 1.00 0.00 N ATOM 0 H LYS A 16 59.394 -4.766 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 16 60.269 -2.028 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.874 -1.521 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.293 -1.726 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 16 57.613 -2.961 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 58.591 -4.172 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.329 -4.793 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 16 56.915 -4.100 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 16 55.567 -2.220 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 16 55.647 -2.179 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.473 -2.763 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.165 -4.061 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.088 -4.100 -5.254 1.00 0.00 H new ATOM 274 N ILE A 17 58.406 -1.430 -2.919 1.00 0.00 N ATOM 275 CA ILE A 17 57.649 -1.253 -1.687 1.00 0.00 C ATOM 276 C ILE A 17 56.909 0.063 -1.804 1.00 0.00 C ATOM 277 O ILE A 17 57.550 1.096 -1.836 1.00 0.00 O ATOM 278 CB ILE A 17 58.592 -1.149 -0.479 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.689 -2.226 -0.491 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.781 -1.156 0.825 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.281 -3.577 0.078 1.00 0.00 C ATOM 0 H ILE A 17 58.781 -0.575 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 17 56.979 -2.101 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 17 59.120 -0.198 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 17 60.023 -2.369 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.545 -1.856 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.459 -1.082 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 17 57.096 -0.308 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.212 -2.083 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 17 60.125 -4.265 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.977 -3.457 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.448 -3.978 -0.499 1.00 0.00 H new ATOM 293 N ARG A 18 55.559 -0.010 -1.831 1.00 0.00 N ATOM 294 CA ARG A 18 54.711 1.184 -1.890 1.00 0.00 C ATOM 295 C ARG A 18 55.379 2.412 -1.241 1.00 0.00 C ATOM 296 O ARG A 18 55.922 3.262 -1.934 1.00 0.00 O ATOM 297 CB ARG A 18 53.343 0.909 -1.265 1.00 0.00 C ATOM 298 CG ARG A 18 52.441 2.158 -1.157 1.00 0.00 C ATOM 299 CD ARG A 18 51.420 2.019 -0.026 1.00 0.00 C ATOM 300 NE ARG A 18 51.633 3.065 0.969 1.00 0.00 N ATOM 301 CZ ARG A 18 50.985 3.053 2.154 1.00 0.00 C ATOM 302 NH1 ARG A 18 50.149 2.064 2.461 1.00 0.00 N ATOM 303 NH2 ARG A 18 51.185 4.038 3.022 1.00 0.00 N ATOM 0 H ARG A 18 55.041 -0.888 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 18 54.569 1.423 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.829 0.152 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.487 0.490 -0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.058 3.040 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.920 2.314 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.409 2.088 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 18 51.512 1.038 0.440 1.00 0.00 H new ATOM 0 HE ARG A 18 52.286 3.822 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.992 1.305 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.665 2.065 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.825 4.798 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.698 4.034 3.918 1.00 0.00 H new ATOM 317 N MET A 19 55.314 2.414 0.112 1.00 0.00 N ATOM 318 CA MET A 19 55.890 3.441 0.970 1.00 0.00 C ATOM 319 C MET A 19 55.685 4.866 0.425 1.00 0.00 C ATOM 320 O MET A 19 54.842 5.095 -0.424 1.00 0.00 O ATOM 321 CB MET A 19 57.358 3.121 1.237 1.00 0.00 C ATOM 322 CG MET A 19 58.340 3.476 0.098 1.00 0.00 C ATOM 323 SD MET A 19 59.325 4.926 0.490 1.00 0.00 S ATOM 324 CE MET A 19 60.036 4.320 2.017 1.00 0.00 C ATOM 0 H MET A 19 54.844 1.676 0.637 1.00 0.00 H new ATOM 0 HA MET A 19 55.354 3.427 1.919 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.668 3.651 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.446 2.055 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.000 2.629 -0.090 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.781 3.654 -0.821 1.00 0.00 H new ATOM 0 HE1 MET A 19 59.985 5.100 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.479 3.447 2.356 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.077 4.044 1.849 1.00 0.00 H new ATOM 334 N GLU A 20 56.512 5.808 0.920 1.00 0.00 N ATOM 335 CA GLU A 20 56.409 7.153 0.377 1.00 0.00 C ATOM 336 C GLU A 20 57.768 7.859 0.485 1.00 0.00 C ATOM 337 O GLU A 20 58.555 7.543 1.369 1.00 0.00 O ATOM 338 CB GLU A 20 55.314 7.898 1.152 1.00 0.00 C ATOM 339 CG GLU A 20 54.857 9.184 0.455 1.00 0.00 C ATOM 340 CD GLU A 20 53.524 9.725 0.986 1.00 0.00 C ATOM 341 OE1 GLU A 20 53.262 9.595 2.181 1.00 0.00 O ATOM 342 OE2 GLU A 20 52.761 10.277 0.193 1.00 0.00 O ATOM 0 H GLU A 20 57.212 5.668 1.648 1.00 0.00 H new ATOM 0 HA GLU A 20 56.139 7.130 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.457 7.238 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.684 8.143 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.625 9.948 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.764 8.995 -0.614 1.00 0.00 H new ATOM 349 N PRO A 21 58.028 8.851 -0.429 1.00 0.00 N ATOM 350 CA PRO A 21 59.259 9.617 -0.370 1.00 0.00 C ATOM 351 C PRO A 21 59.397 10.495 0.884 1.00 0.00 C ATOM 352 O PRO A 21 60.401 11.152 1.076 1.00 0.00 O ATOM 353 CB PRO A 21 59.275 10.466 -1.655 1.00 0.00 C ATOM 354 CG PRO A 21 58.185 9.871 -2.547 1.00 0.00 C ATOM 355 CD PRO A 21 57.205 9.249 -1.566 1.00 0.00 C ATOM 0 HA PRO A 21 60.111 8.940 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 21 59.074 11.515 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.249 10.423 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.707 10.637 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.592 9.126 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.435 9.961 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.694 8.392 -2.005 1.00 0.00 H new ATOM 363 N ASP A 22 58.353 10.486 1.733 1.00 0.00 N ATOM 364 CA ASP A 22 58.355 11.355 2.901 1.00 0.00 C ATOM 365 C ASP A 22 58.963 10.651 4.115 1.00 0.00 C ATOM 366 O ASP A 22 59.762 11.233 4.839 1.00 0.00 O ATOM 367 CB ASP A 22 56.920 11.798 3.199 1.00 0.00 C ATOM 368 CG ASP A 22 56.357 12.765 2.134 1.00 0.00 C ATOM 369 OD1 ASP A 22 56.979 12.961 1.088 1.00 0.00 O ATOM 370 OD2 ASP A 22 55.288 13.324 2.372 1.00 0.00 O ATOM 0 H ASP A 22 57.524 9.901 1.629 1.00 0.00 H new ATOM 0 HA ASP A 22 58.971 12.229 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.279 10.919 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.890 12.283 4.175 1.00 0.00 H new ATOM 375 N GLU A 23 58.547 9.372 4.286 1.00 0.00 N ATOM 376 CA GLU A 23 59.008 8.540 5.396 1.00 0.00 C ATOM 377 C GLU A 23 60.537 8.556 5.509 1.00 0.00 C ATOM 378 O GLU A 23 61.246 8.883 4.567 1.00 0.00 O ATOM 379 CB GLU A 23 58.547 7.089 5.191 1.00 0.00 C ATOM 380 CG GLU A 23 57.015 6.938 5.151 1.00 0.00 C ATOM 381 CD GLU A 23 56.392 6.865 6.564 1.00 0.00 C ATOM 382 OE1 GLU A 23 56.847 7.574 7.461 1.00 0.00 O ATOM 383 OE2 GLU A 23 55.454 6.091 6.754 1.00 0.00 O ATOM 0 H GLU A 23 57.891 8.904 3.661 1.00 0.00 H new ATOM 0 HA GLU A 23 58.581 8.948 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.967 6.709 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 23 58.945 6.471 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.584 7.780 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.756 6.036 4.596 1.00 0.00 H new ATOM 390 N THR A 24 60.984 8.193 6.727 1.00 0.00 N ATOM 391 CA THR A 24 62.407 8.246 7.023 1.00 0.00 C ATOM 392 C THR A 24 63.131 6.970 6.594 1.00 0.00 C ATOM 393 O THR A 24 64.195 6.696 7.114 1.00 0.00 O ATOM 394 CB THR A 24 62.670 8.603 8.503 1.00 0.00 C ATOM 395 OG1 THR A 24 61.519 8.384 9.277 1.00 0.00 O ATOM 396 CG2 THR A 24 63.121 10.059 8.656 1.00 0.00 C ATOM 0 H THR A 24 60.392 7.871 7.493 1.00 0.00 H new ATOM 0 HA THR A 24 62.829 9.054 6.425 1.00 0.00 H new ATOM 0 HB THR A 24 63.471 7.954 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 24 61.705 8.614 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.297 10.277 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.042 10.216 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.345 10.722 8.273 1.00 0.00 H new ATOM 404 N VAL A 25 62.570 6.209 5.630 1.00 0.00 N ATOM 405 CA VAL A 25 63.249 5.007 5.130 1.00 0.00 C ATOM 406 C VAL A 25 63.121 3.817 6.102 1.00 0.00 C ATOM 407 O VAL A 25 63.126 2.674 5.686 1.00 0.00 O ATOM 408 CB VAL A 25 64.745 5.222 4.758 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.383 3.965 4.150 1.00 0.00 C ATOM 410 CG2 VAL A 25 64.969 6.435 3.845 1.00 0.00 C ATOM 0 H VAL A 25 61.669 6.404 5.194 1.00 0.00 H new ATOM 0 HA VAL A 25 62.723 4.773 4.204 1.00 0.00 H new ATOM 0 HB VAL A 25 65.247 5.431 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.426 4.167 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.329 3.146 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.847 3.688 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.032 6.531 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.414 6.299 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.621 7.338 4.347 1.00 0.00 H new ATOM 420 N LYS A 26 63.012 4.105 7.412 1.00 0.00 N ATOM 421 CA LYS A 26 62.873 3.027 8.377 1.00 0.00 C ATOM 422 C LYS A 26 61.604 2.211 8.166 1.00 0.00 C ATOM 423 O LYS A 26 61.592 1.000 8.332 1.00 0.00 O ATOM 424 CB LYS A 26 62.814 3.617 9.778 1.00 0.00 C ATOM 425 CG LYS A 26 62.701 2.570 10.891 1.00 0.00 C ATOM 426 CD LYS A 26 63.456 2.976 12.160 1.00 0.00 C ATOM 427 CE LYS A 26 63.247 4.441 12.576 1.00 0.00 C ATOM 428 NZ LYS A 26 61.932 4.641 13.160 1.00 0.00 N ATOM 0 H LYS A 26 63.018 5.046 7.806 1.00 0.00 H new ATOM 0 HA LYS A 26 63.732 2.369 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.709 4.216 9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.961 4.293 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.650 2.414 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.090 1.618 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.142 2.329 12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 26 64.521 2.802 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.014 4.730 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 26 63.364 5.088 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 61.821 5.639 13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.201 4.387 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.832 4.040 14.003 1.00 0.00 H new ATOM 442 N VAL A 27 60.541 2.947 7.790 1.00 0.00 N ATOM 443 CA VAL A 27 59.282 2.269 7.527 1.00 0.00 C ATOM 444 C VAL A 27 59.432 1.236 6.391 1.00 0.00 C ATOM 445 O VAL A 27 58.800 0.189 6.378 1.00 0.00 O ATOM 446 CB VAL A 27 58.184 3.294 7.193 1.00 0.00 C ATOM 447 CG1 VAL A 27 58.172 3.717 5.713 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.807 2.771 7.630 1.00 0.00 C ATOM 0 H VAL A 27 60.535 3.960 7.669 1.00 0.00 H new ATOM 0 HA VAL A 27 58.991 1.729 8.428 1.00 0.00 H new ATOM 0 HB VAL A 27 58.419 4.195 7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.374 4.441 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 27 59.130 4.169 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.004 2.842 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.043 3.509 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.590 1.838 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.810 2.594 8.706 1.00 0.00 H new ATOM 458 N LEU A 28 60.320 1.631 5.448 1.00 0.00 N ATOM 459 CA LEU A 28 60.616 0.811 4.293 1.00 0.00 C ATOM 460 C LEU A 28 61.337 -0.450 4.703 1.00 0.00 C ATOM 461 O LEU A 28 61.107 -1.520 4.163 1.00 0.00 O ATOM 462 CB LEU A 28 61.549 1.564 3.350 1.00 0.00 C ATOM 463 CG LEU A 28 61.925 0.781 2.115 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.709 0.360 1.322 1.00 0.00 C ATOM 465 CD2 LEU A 28 62.951 1.487 1.251 1.00 0.00 C ATOM 0 H LEU A 28 60.832 2.512 5.482 1.00 0.00 H new ATOM 0 HA LEU A 28 59.669 0.570 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.071 2.496 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.457 1.833 3.890 1.00 0.00 H new ATOM 0 HG LEU A 28 62.410 -0.128 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.025 -0.201 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.070 -0.268 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.155 1.245 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.178 0.872 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.552 2.447 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.862 1.650 1.827 1.00 0.00 H new ATOM 477 N LYS A 29 62.238 -0.247 5.678 1.00 0.00 N ATOM 478 CA LYS A 29 62.974 -1.374 6.188 1.00 0.00 C ATOM 479 C LYS A 29 61.994 -2.419 6.731 1.00 0.00 C ATOM 480 O LYS A 29 62.175 -3.605 6.528 1.00 0.00 O ATOM 481 CB LYS A 29 63.964 -0.877 7.235 1.00 0.00 C ATOM 482 CG LYS A 29 65.093 -0.064 6.622 1.00 0.00 C ATOM 483 CD LYS A 29 66.073 0.380 7.691 1.00 0.00 C ATOM 484 CE LYS A 29 67.179 1.262 7.120 1.00 0.00 C ATOM 485 NZ LYS A 29 68.432 1.202 7.873 1.00 0.00 N ATOM 0 H LYS A 29 62.456 0.654 6.103 1.00 0.00 H new ATOM 0 HA LYS A 29 63.548 -1.863 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.437 -0.267 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.382 -1.730 7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 29 65.611 -0.660 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.685 0.808 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 29 65.539 0.926 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.516 -0.497 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.371 0.965 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.831 2.294 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.985 2.065 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 68.223 1.126 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.980 0.372 7.569 1.00 0.00 H new ATOM 499 N GLU A 30 60.931 -1.914 7.395 1.00 0.00 N ATOM 500 CA GLU A 30 59.953 -2.802 8.007 1.00 0.00 C ATOM 501 C GLU A 30 59.193 -3.626 6.957 1.00 0.00 C ATOM 502 O GLU A 30 58.945 -4.810 7.141 1.00 0.00 O ATOM 503 CB GLU A 30 58.986 -1.977 8.872 1.00 0.00 C ATOM 504 CG GLU A 30 58.451 -2.765 10.086 1.00 0.00 C ATOM 505 CD GLU A 30 56.960 -3.138 9.974 1.00 0.00 C ATOM 506 OE1 GLU A 30 56.507 -3.478 8.880 1.00 0.00 O ATOM 507 OE2 GLU A 30 56.267 -3.086 10.989 1.00 0.00 O ATOM 0 H GLU A 30 60.742 -0.919 7.512 1.00 0.00 H new ATOM 0 HA GLU A 30 60.481 -3.515 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 30 59.495 -1.079 9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 30 58.147 -1.649 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.037 -3.677 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 30 58.601 -2.172 10.988 1.00 0.00 H new ATOM 514 N LYS A 31 58.858 -2.926 5.852 1.00 0.00 N ATOM 515 CA LYS A 31 58.112 -3.548 4.766 1.00 0.00 C ATOM 516 C LYS A 31 58.945 -4.609 4.026 1.00 0.00 C ATOM 517 O LYS A 31 58.524 -5.744 3.866 1.00 0.00 O ATOM 518 CB LYS A 31 57.650 -2.476 3.769 1.00 0.00 C ATOM 519 CG LYS A 31 56.147 -2.204 3.821 1.00 0.00 C ATOM 520 CD LYS A 31 55.772 -1.203 4.915 1.00 0.00 C ATOM 521 CE LYS A 31 54.265 -1.211 5.182 1.00 0.00 C ATOM 522 NZ LYS A 31 53.483 -0.797 4.023 1.00 0.00 N ATOM 0 H LYS A 31 59.093 -1.945 5.700 1.00 0.00 H new ATOM 0 HA LYS A 31 57.249 -4.047 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.186 -1.549 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.920 -2.788 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.816 -1.823 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.617 -3.141 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.308 -1.446 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 31 56.086 -0.202 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 31 53.959 -2.213 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.045 -0.547 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 52.471 -0.821 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 53.752 0.170 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.668 -1.444 3.230 1.00 0.00 H new ATOM 536 N ILE A 32 60.134 -4.160 3.573 1.00 0.00 N ATOM 537 CA ILE A 32 61.080 -5.014 2.858 1.00 0.00 C ATOM 538 C ILE A 32 61.456 -6.240 3.690 1.00 0.00 C ATOM 539 O ILE A 32 61.586 -7.342 3.177 1.00 0.00 O ATOM 540 CB ILE A 32 62.356 -4.227 2.507 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.045 -3.136 1.513 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.471 -5.116 1.932 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.191 -2.161 1.346 1.00 0.00 C ATOM 0 H ILE A 32 60.455 -3.200 3.696 1.00 0.00 H new ATOM 0 HA ILE A 32 60.594 -5.348 1.941 1.00 0.00 H new ATOM 0 HB ILE A 32 62.716 -3.801 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 32 61.810 -3.584 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.156 -2.595 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.344 -4.504 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.743 -5.877 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.118 -5.598 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.915 -1.396 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.410 -1.690 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.074 -2.694 0.994 1.00 0.00 H new ATOM 555 N GLU A 33 61.614 -5.975 5.000 1.00 0.00 N ATOM 556 CA GLU A 33 61.919 -7.058 5.917 1.00 0.00 C ATOM 557 C GLU A 33 60.728 -8.021 5.987 1.00 0.00 C ATOM 558 O GLU A 33 60.889 -9.223 6.076 1.00 0.00 O ATOM 559 CB GLU A 33 62.262 -6.491 7.301 1.00 0.00 C ATOM 560 CG GLU A 33 63.020 -7.461 8.212 1.00 0.00 C ATOM 561 CD GLU A 33 62.112 -8.313 9.114 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.525 -9.281 8.642 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.011 -8.004 10.298 1.00 0.00 O ATOM 0 H GLU A 33 61.537 -5.051 5.424 1.00 0.00 H new ATOM 0 HA GLU A 33 62.786 -7.612 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.861 -5.589 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.338 -6.192 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.626 -8.124 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.707 -6.892 8.839 1.00 0.00 H new ATOM 570 N ALA A 34 59.519 -7.438 5.912 1.00 0.00 N ATOM 571 CA ALA A 34 58.322 -8.267 5.962 1.00 0.00 C ATOM 572 C ALA A 34 58.159 -9.136 4.697 1.00 0.00 C ATOM 573 O ALA A 34 57.569 -10.207 4.737 1.00 0.00 O ATOM 574 CB ALA A 34 57.094 -7.378 6.157 1.00 0.00 C ATOM 0 H ALA A 34 59.355 -6.435 5.820 1.00 0.00 H new ATOM 0 HA ALA A 34 58.424 -8.950 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.198 -7.998 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.191 -6.823 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.016 -6.678 5.325 1.00 0.00 H new ATOM 580 N GLU A 35 58.728 -8.615 3.585 1.00 0.00 N ATOM 581 CA GLU A 35 58.691 -9.321 2.313 1.00 0.00 C ATOM 582 C GLU A 35 59.643 -10.526 2.355 1.00 0.00 C ATOM 583 O GLU A 35 59.289 -11.627 1.952 1.00 0.00 O ATOM 584 CB GLU A 35 59.051 -8.338 1.185 1.00 0.00 C ATOM 585 CG GLU A 35 59.425 -9.006 -0.152 1.00 0.00 C ATOM 586 CD GLU A 35 60.213 -8.018 -1.004 1.00 0.00 C ATOM 587 OE1 GLU A 35 59.597 -7.274 -1.763 1.00 0.00 O ATOM 588 OE2 GLU A 35 61.437 -8.006 -0.883 1.00 0.00 O ATOM 0 H GLU A 35 59.210 -7.717 3.557 1.00 0.00 H new ATOM 0 HA GLU A 35 57.690 -9.708 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.205 -7.671 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 35 59.886 -7.719 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.018 -9.902 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.524 -9.321 -0.679 1.00 0.00 H new ATOM 595 N LYS A 36 60.868 -10.239 2.840 1.00 0.00 N ATOM 596 CA LYS A 36 61.927 -11.235 2.818 1.00 0.00 C ATOM 597 C LYS A 36 62.036 -11.954 4.165 1.00 0.00 C ATOM 598 O LYS A 36 61.794 -13.149 4.275 1.00 0.00 O ATOM 599 CB LYS A 36 63.232 -10.553 2.406 1.00 0.00 C ATOM 600 CG LYS A 36 63.983 -11.408 1.377 1.00 0.00 C ATOM 601 CD LYS A 36 63.306 -11.429 0.007 1.00 0.00 C ATOM 602 CE LYS A 36 62.906 -12.853 -0.366 1.00 0.00 C ATOM 603 NZ LYS A 36 62.788 -13.032 -1.800 1.00 0.00 N ATOM 0 H LYS A 36 61.133 -9.340 3.242 1.00 0.00 H new ATOM 0 HA LYS A 36 61.697 -12.009 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.019 -9.570 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.859 -10.395 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 36 64.998 -11.027 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.064 -12.429 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.424 -10.788 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.982 -11.025 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 36 63.646 -13.551 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 61.955 -13.097 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.515 -14.014 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 62.063 -12.386 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 63.701 -12.825 -2.252 1.00 0.00 H new ATOM 617 N GLY A 37 62.414 -11.144 5.168 1.00 0.00 N ATOM 618 CA GLY A 37 62.512 -11.614 6.539 1.00 0.00 C ATOM 619 C GLY A 37 63.662 -10.896 7.235 1.00 0.00 C ATOM 620 O GLY A 37 64.410 -10.142 6.627 1.00 0.00 O ATOM 0 H GLY A 37 62.655 -10.161 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.577 -11.427 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.677 -12.691 6.556 1.00 0.00 H new ATOM 624 N ARG A 38 63.757 -11.193 8.550 1.00 0.00 N ATOM 625 CA ARG A 38 64.816 -10.616 9.371 1.00 0.00 C ATOM 626 C ARG A 38 66.188 -11.254 9.071 1.00 0.00 C ATOM 627 O ARG A 38 67.217 -10.825 9.572 1.00 0.00 O ATOM 628 CB ARG A 38 64.461 -10.784 10.855 1.00 0.00 C ATOM 629 CG ARG A 38 64.519 -12.241 11.363 1.00 0.00 C ATOM 630 CD ARG A 38 63.180 -12.763 11.903 1.00 0.00 C ATOM 631 NE ARG A 38 62.562 -13.673 10.944 1.00 0.00 N ATOM 632 CZ ARG A 38 62.883 -14.988 10.889 1.00 0.00 C ATOM 633 NH1 ARG A 38 63.796 -15.510 11.706 1.00 0.00 N ATOM 634 NH2 ARG A 38 62.276 -15.773 10.006 1.00 0.00 N ATOM 0 H ARG A 38 63.122 -11.817 9.047 1.00 0.00 H new ATOM 0 HA ARG A 38 64.894 -9.556 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.143 -10.177 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.457 -10.393 11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 38 64.848 -12.887 10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 38 65.270 -12.312 12.150 1.00 0.00 H new ATOM 0 HD2 ARG A 38 63.339 -13.277 12.851 1.00 0.00 H new ATOM 0 HD3 ARG A 38 62.511 -11.926 12.103 1.00 0.00 H new ATOM 0 HE ARG A 38 61.866 -13.307 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 38 64.268 -14.917 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 64.024 -16.503 11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 61.574 -15.385 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 38 62.512 -16.764 9.958 1.00 0.00 H new ATOM 648 N ASP A 39 66.139 -12.315 8.242 1.00 0.00 N ATOM 649 CA ASP A 39 67.346 -13.023 7.854 1.00 0.00 C ATOM 650 C ASP A 39 67.871 -12.471 6.535 1.00 0.00 C ATOM 651 O ASP A 39 69.073 -12.376 6.318 1.00 0.00 O ATOM 652 CB ASP A 39 67.029 -14.528 7.740 1.00 0.00 C ATOM 653 CG ASP A 39 67.694 -15.339 8.869 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.728 -14.866 10.006 1.00 0.00 O ATOM 655 OD2 ASP A 39 68.177 -16.437 8.596 1.00 0.00 O ATOM 0 H ASP A 39 65.279 -12.688 7.839 1.00 0.00 H new ATOM 0 HA ASP A 39 68.121 -12.882 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.950 -14.676 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.372 -14.900 6.774 1.00 0.00 H new ATOM 660 N ALA A 40 66.901 -12.113 5.674 1.00 0.00 N ATOM 661 CA ALA A 40 67.285 -11.591 4.381 1.00 0.00 C ATOM 662 C ALA A 40 67.720 -10.128 4.525 1.00 0.00 C ATOM 663 O ALA A 40 68.858 -9.779 4.238 1.00 0.00 O ATOM 664 CB ALA A 40 66.127 -11.755 3.409 1.00 0.00 C ATOM 0 H ALA A 40 65.898 -12.176 5.850 1.00 0.00 H new ATOM 0 HA ALA A 40 68.134 -12.146 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.413 -11.363 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.877 -12.812 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.260 -11.208 3.780 1.00 0.00 H new ATOM 670 N PHE A 41 66.739 -9.307 4.974 1.00 0.00 N ATOM 671 CA PHE A 41 66.957 -7.873 5.115 1.00 0.00 C ATOM 672 C PHE A 41 66.366 -7.408 6.460 1.00 0.00 C ATOM 673 O PHE A 41 65.292 -6.828 6.502 1.00 0.00 O ATOM 674 CB PHE A 41 66.322 -7.066 3.964 1.00 0.00 C ATOM 675 CG PHE A 41 66.315 -7.753 2.638 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.485 -8.222 2.061 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.111 -7.926 1.975 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.433 -8.919 0.868 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.064 -8.547 0.744 1.00 0.00 C ATOM 680 CZ PHE A 41 66.220 -9.074 0.211 1.00 0.00 C ATOM 0 H PHE A 41 65.805 -9.622 5.238 1.00 0.00 H new ATOM 0 HA PHE A 41 68.031 -7.692 5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.295 -6.822 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.858 -6.122 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.435 -8.043 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.197 -7.570 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.334 -9.342 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.131 -8.619 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.182 -9.612 -0.725 1.00 0.00 H new ATOM 690 N PRO A 42 67.103 -7.657 7.575 1.00 0.00 N ATOM 691 CA PRO A 42 66.686 -7.159 8.882 1.00 0.00 C ATOM 692 C PRO A 42 66.849 -5.644 8.917 1.00 0.00 C ATOM 693 O PRO A 42 67.922 -5.141 8.615 1.00 0.00 O ATOM 694 CB PRO A 42 67.667 -7.789 9.870 1.00 0.00 C ATOM 695 CG PRO A 42 68.900 -8.137 9.028 1.00 0.00 C ATOM 696 CD PRO A 42 68.375 -8.370 7.609 1.00 0.00 C ATOM 0 HA PRO A 42 65.648 -7.400 9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 42 67.919 -7.097 10.673 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.243 -8.678 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.630 -7.328 9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.399 -9.026 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.067 -7.985 6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.242 -9.432 7.403 1.00 0.00 H new ATOM 704 N VAL A 43 65.737 -4.958 9.285 1.00 0.00 N ATOM 705 CA VAL A 43 65.693 -3.497 9.446 1.00 0.00 C ATOM 706 C VAL A 43 66.962 -2.889 10.070 1.00 0.00 C ATOM 707 O VAL A 43 67.377 -1.788 9.741 1.00 0.00 O ATOM 708 CB VAL A 43 64.455 -3.072 10.266 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.155 -3.181 9.467 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.345 -3.829 11.598 1.00 0.00 C ATOM 0 H VAL A 43 64.845 -5.413 9.478 1.00 0.00 H new ATOM 0 HA VAL A 43 65.628 -3.101 8.433 1.00 0.00 H new ATOM 0 HB VAL A 43 64.606 -2.018 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.317 -2.870 10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.212 -2.537 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.008 -4.214 9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.458 -3.493 12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.268 -4.899 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.231 -3.633 12.202 1.00 0.00 H new ATOM 720 N ALA A 44 67.566 -3.682 10.971 1.00 0.00 N ATOM 721 CA ALA A 44 68.813 -3.283 11.591 1.00 0.00 C ATOM 722 C ALA A 44 69.904 -2.955 10.546 1.00 0.00 C ATOM 723 O ALA A 44 70.369 -1.826 10.454 1.00 0.00 O ATOM 724 CB ALA A 44 69.253 -4.401 12.534 1.00 0.00 C ATOM 0 H ALA A 44 67.207 -4.587 11.274 1.00 0.00 H new ATOM 0 HA ALA A 44 68.659 -2.363 12.154 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.192 -4.124 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.488 -4.557 13.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.393 -5.321 11.967 1.00 0.00 H new ATOM 730 N GLY A 45 70.267 -3.998 9.768 1.00 0.00 N ATOM 731 CA GLY A 45 71.306 -3.840 8.760 1.00 0.00 C ATOM 732 C GLY A 45 70.752 -3.553 7.363 1.00 0.00 C ATOM 733 O GLY A 45 71.452 -3.755 6.384 1.00 0.00 O ATOM 0 H GLY A 45 69.860 -4.932 9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.969 -3.027 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.910 -4.747 8.725 1.00 0.00 H new ATOM 737 N GLN A 46 69.485 -3.082 7.300 1.00 0.00 N ATOM 738 CA GLN A 46 68.853 -2.821 6.010 1.00 0.00 C ATOM 739 C GLN A 46 69.343 -1.500 5.398 1.00 0.00 C ATOM 740 O GLN A 46 68.599 -0.545 5.286 1.00 0.00 O ATOM 741 CB GLN A 46 67.330 -2.782 6.160 1.00 0.00 C ATOM 742 CG GLN A 46 66.654 -4.148 6.016 1.00 0.00 C ATOM 743 CD GLN A 46 65.682 -4.137 4.839 1.00 0.00 C ATOM 744 OE1 GLN A 46 66.037 -3.798 3.720 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.448 -4.544 5.165 1.00 0.00 N ATOM 0 H GLN A 46 68.902 -2.883 8.113 1.00 0.00 H new ATOM 0 HA GLN A 46 69.132 -3.634 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.082 -2.367 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.919 -2.104 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.408 -4.921 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.121 -4.396 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.236 -4.810 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.720 -4.588 4.452 1.00 0.00 H new ATOM 754 N LYS A 47 70.613 -1.490 4.975 1.00 0.00 N ATOM 755 CA LYS A 47 71.153 -0.298 4.346 1.00 0.00 C ATOM 756 C LYS A 47 70.693 -0.255 2.884 1.00 0.00 C ATOM 757 O LYS A 47 70.532 -1.273 2.233 1.00 0.00 O ATOM 758 CB LYS A 47 72.681 -0.333 4.448 1.00 0.00 C ATOM 759 CG LYS A 47 73.210 0.396 5.690 1.00 0.00 C ATOM 760 CD LYS A 47 73.299 -0.504 6.926 1.00 0.00 C ATOM 761 CE LYS A 47 74.231 0.091 7.985 1.00 0.00 C ATOM 762 NZ LYS A 47 74.488 -0.834 9.079 1.00 0.00 N ATOM 0 H LYS A 47 71.262 -2.273 5.057 1.00 0.00 H new ATOM 0 HA LYS A 47 70.794 0.601 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.016 -1.370 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.111 0.121 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.198 0.801 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.560 1.242 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 47 72.304 -0.641 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 47 73.660 -1.490 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 47 75.176 0.370 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.789 1.005 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.123 -0.386 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 73.591 -1.081 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 74.934 -1.697 8.707 1.00 0.00 H new ATOM 776 N LEU A 48 70.475 0.980 2.412 1.00 0.00 N ATOM 777 CA LEU A 48 70.049 1.159 1.031 1.00 0.00 C ATOM 778 C LEU A 48 71.066 2.052 0.318 1.00 0.00 C ATOM 779 O LEU A 48 71.788 2.780 0.978 1.00 0.00 O ATOM 780 CB LEU A 48 68.680 1.807 1.028 1.00 0.00 C ATOM 781 CG LEU A 48 67.496 0.883 1.280 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.275 0.600 2.777 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.253 1.534 0.682 1.00 0.00 C ATOM 0 H LEU A 48 70.584 1.839 2.950 1.00 0.00 H new ATOM 0 HA LEU A 48 69.991 0.201 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.670 2.590 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.534 2.295 0.064 1.00 0.00 H new ATOM 0 HG LEU A 48 67.701 -0.079 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.419 -0.064 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.164 0.126 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.085 1.537 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.389 0.891 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 48 66.084 2.500 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.397 1.677 -0.389 1.00 0.00 H new ATOM 795 N ILE A 49 71.103 1.957 -1.041 1.00 0.00 N ATOM 796 CA ILE A 49 72.115 2.672 -1.829 1.00 0.00 C ATOM 797 C ILE A 49 71.508 3.416 -3.032 1.00 0.00 C ATOM 798 O ILE A 49 71.076 2.787 -3.989 1.00 0.00 O ATOM 799 CB ILE A 49 73.218 1.744 -2.394 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.533 0.523 -1.526 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.501 2.518 -2.719 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.866 0.888 -0.091 1.00 0.00 C ATOM 0 H ILE A 49 70.451 1.400 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 49 72.548 3.375 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 49 72.794 1.351 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.678 -0.153 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.372 -0.019 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.250 1.831 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.285 3.285 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.881 2.989 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.080 -0.019 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.739 1.540 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 49 73.018 1.405 0.359 1.00 0.00 H new ATOM 814 N TYR A 50 71.516 4.767 -2.953 1.00 0.00 N ATOM 815 CA TYR A 50 70.948 5.583 -4.024 1.00 0.00 C ATOM 816 C TYR A 50 72.041 6.485 -4.573 1.00 0.00 C ATOM 817 O TYR A 50 72.594 7.303 -3.854 1.00 0.00 O ATOM 818 CB TYR A 50 69.799 6.454 -3.496 1.00 0.00 C ATOM 819 CG TYR A 50 68.875 6.875 -4.601 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.909 6.002 -5.086 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.966 8.148 -5.147 1.00 0.00 C ATOM 822 CE1 TYR A 50 67.047 6.382 -6.091 1.00 0.00 C ATOM 823 CE2 TYR A 50 68.093 8.541 -6.154 1.00 0.00 C ATOM 824 CZ TYR A 50 67.134 7.654 -6.620 1.00 0.00 C ATOM 825 OH TYR A 50 66.247 8.024 -7.600 1.00 0.00 O ATOM 0 H TYR A 50 71.903 5.296 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 50 70.557 4.928 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.238 5.901 -2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.207 7.338 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.833 5.009 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.718 8.835 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.307 5.689 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.161 9.534 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 50 65.696 8.768 -7.279 1.00 0.00 H new ATOM 835 N ALA A 51 72.306 6.287 -5.883 1.00 0.00 N ATOM 836 CA ALA A 51 73.311 7.074 -6.589 1.00 0.00 C ATOM 837 C ALA A 51 74.729 6.789 -6.057 1.00 0.00 C ATOM 838 O ALA A 51 75.577 7.672 -6.000 1.00 0.00 O ATOM 839 CB ALA A 51 72.987 8.578 -6.523 1.00 0.00 C ATOM 0 H ALA A 51 71.835 5.590 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 51 73.286 6.771 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.753 9.139 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 51 72.016 8.761 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.962 8.899 -5.482 1.00 0.00 H new ATOM 845 N GLY A 52 74.923 5.512 -5.652 1.00 0.00 N ATOM 846 CA GLY A 52 76.207 5.100 -5.096 1.00 0.00 C ATOM 847 C GLY A 52 76.392 5.484 -3.609 1.00 0.00 C ATOM 848 O GLY A 52 77.351 5.064 -2.975 1.00 0.00 O ATOM 0 H GLY A 52 74.219 4.776 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.307 4.019 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 77.008 5.551 -5.681 1.00 0.00 H new ATOM 852 N LYS A 53 75.435 6.293 -3.093 1.00 0.00 N ATOM 853 CA LYS A 53 75.446 6.750 -1.701 1.00 0.00 C ATOM 854 C LYS A 53 74.649 5.769 -0.860 1.00 0.00 C ATOM 855 O LYS A 53 73.973 4.930 -1.413 1.00 0.00 O ATOM 856 CB LYS A 53 74.795 8.140 -1.614 1.00 0.00 C ATOM 857 CG LYS A 53 75.832 9.248 -1.505 1.00 0.00 C ATOM 858 CD LYS A 53 76.777 9.270 -2.708 1.00 0.00 C ATOM 859 CE LYS A 53 77.733 10.463 -2.662 1.00 0.00 C ATOM 860 NZ LYS A 53 77.851 11.116 -3.957 1.00 0.00 N ATOM 0 H LYS A 53 74.643 6.640 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 53 76.472 6.808 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 53 74.177 8.307 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 53 74.133 8.177 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 53 75.327 10.210 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.411 9.114 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 53 77.353 8.345 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 53 76.193 9.308 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 77.380 11.183 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 53 78.717 10.127 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 78.508 11.919 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 78.213 10.437 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 76.917 11.460 -4.259 1.00 0.00 H new ATOM 874 N ILE A 54 74.753 5.925 0.479 1.00 0.00 N ATOM 875 CA ILE A 54 74.036 5.077 1.436 1.00 0.00 C ATOM 876 C ILE A 54 72.969 5.922 2.138 1.00 0.00 C ATOM 877 O ILE A 54 73.133 7.118 2.303 1.00 0.00 O ATOM 878 CB ILE A 54 75.028 4.486 2.469 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.551 3.111 2.019 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.485 4.410 3.916 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.687 1.954 2.542 1.00 0.00 C ATOM 0 H ILE A 54 75.334 6.640 0.916 1.00 0.00 H new ATOM 0 HA ILE A 54 73.557 4.249 0.914 1.00 0.00 H new ATOM 0 HB ILE A 54 75.853 5.197 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.580 3.075 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.575 2.983 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.247 3.984 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.230 5.412 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.595 3.781 3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 54 75.100 1.006 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.679 1.970 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.668 2.064 2.170 1.00 0.00 H new ATOM 893 N LEU A 55 71.906 5.203 2.567 1.00 0.00 N ATOM 894 CA LEU A 55 70.773 5.759 3.294 1.00 0.00 C ATOM 895 C LEU A 55 70.385 4.792 4.430 1.00 0.00 C ATOM 896 O LEU A 55 70.205 3.598 4.224 1.00 0.00 O ATOM 897 CB LEU A 55 69.561 5.966 2.366 1.00 0.00 C ATOM 898 CG LEU A 55 69.445 4.958 1.227 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.968 4.772 0.878 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.235 5.361 -0.024 1.00 0.00 C ATOM 0 H LEU A 55 71.824 4.199 2.407 1.00 0.00 H new ATOM 0 HA LEU A 55 71.062 6.729 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.651 5.922 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.614 6.968 1.941 1.00 0.00 H new ATOM 0 HG LEU A 55 69.882 4.022 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.874 4.053 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.431 4.403 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.544 5.727 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.109 4.601 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.867 6.318 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.292 5.452 0.227 1.00 0.00 H new ATOM 912 N SER A 56 70.259 5.406 5.629 1.00 0.00 N ATOM 913 CA SER A 56 69.860 4.702 6.846 1.00 0.00 C ATOM 914 C SER A 56 68.364 4.944 7.115 1.00 0.00 C ATOM 915 O SER A 56 67.704 5.727 6.454 1.00 0.00 O ATOM 916 CB SER A 56 70.733 5.196 8.014 1.00 0.00 C ATOM 917 OG SER A 56 70.271 4.774 9.274 1.00 0.00 O ATOM 0 H SER A 56 70.433 6.401 5.768 1.00 0.00 H new ATOM 0 HA SER A 56 70.008 3.628 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.753 4.840 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.770 6.285 7.995 1.00 0.00 H new ATOM 0 HG SER A 56 70.866 5.117 9.973 1.00 0.00 H new ATOM 923 N ASP A 57 67.881 4.217 8.140 1.00 0.00 N ATOM 924 CA ASP A 57 66.487 4.261 8.568 1.00 0.00 C ATOM 925 C ASP A 57 66.049 5.630 9.104 1.00 0.00 C ATOM 926 O ASP A 57 64.870 5.892 9.267 1.00 0.00 O ATOM 927 CB ASP A 57 66.290 3.170 9.644 1.00 0.00 C ATOM 928 CG ASP A 57 66.786 3.527 11.062 1.00 0.00 C ATOM 929 OD1 ASP A 57 66.280 4.476 11.659 1.00 0.00 O ATOM 930 OD2 ASP A 57 67.663 2.831 11.568 1.00 0.00 O ATOM 0 H ASP A 57 68.457 3.582 8.692 1.00 0.00 H new ATOM 0 HA ASP A 57 65.858 4.080 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 57 65.228 2.930 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.804 2.266 9.317 1.00 0.00 H new ATOM 935 N ASP A 58 67.042 6.472 9.427 1.00 0.00 N ATOM 936 CA ASP A 58 66.706 7.764 10.008 1.00 0.00 C ATOM 937 C ASP A 58 66.688 8.868 8.950 1.00 0.00 C ATOM 938 O ASP A 58 66.282 9.985 9.244 1.00 0.00 O ATOM 939 CB ASP A 58 67.711 8.091 11.131 1.00 0.00 C ATOM 940 CG ASP A 58 67.168 7.842 12.558 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.073 7.302 12.719 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.860 8.207 13.507 1.00 0.00 O ATOM 0 H ASP A 58 68.037 6.288 9.301 1.00 0.00 H new ATOM 0 HA ASP A 58 65.701 7.710 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.609 7.491 10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.009 9.136 11.044 1.00 0.00 H new ATOM 947 N VAL A 59 67.142 8.519 7.725 1.00 0.00 N ATOM 948 CA VAL A 59 67.218 9.519 6.666 1.00 0.00 C ATOM 949 C VAL A 59 65.893 9.508 5.880 1.00 0.00 C ATOM 950 O VAL A 59 65.265 8.476 5.785 1.00 0.00 O ATOM 951 CB VAL A 59 68.410 9.240 5.728 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.637 8.729 6.489 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.078 8.269 4.590 1.00 0.00 C ATOM 0 H VAL A 59 67.449 7.583 7.462 1.00 0.00 H new ATOM 0 HA VAL A 59 67.375 10.503 7.108 1.00 0.00 H new ATOM 0 HB VAL A 59 68.642 10.207 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.451 8.547 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.949 9.475 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.386 7.801 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 68.962 8.119 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.761 7.313 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.274 8.683 3.981 1.00 0.00 H new ATOM 963 N PRO A 60 65.488 10.652 5.281 1.00 0.00 N ATOM 964 CA PRO A 60 64.273 10.719 4.471 1.00 0.00 C ATOM 965 C PRO A 60 64.491 10.132 3.067 1.00 0.00 C ATOM 966 O PRO A 60 65.523 10.347 2.452 1.00 0.00 O ATOM 967 CB PRO A 60 63.926 12.212 4.416 1.00 0.00 C ATOM 968 CG PRO A 60 65.048 12.934 5.179 1.00 0.00 C ATOM 969 CD PRO A 60 66.180 11.926 5.351 1.00 0.00 C ATOM 0 HA PRO A 60 63.464 10.128 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 60 63.867 12.562 3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 60 62.956 12.405 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.390 13.810 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.693 13.286 6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 60 66.930 12.023 4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.695 12.055 6.303 1.00 0.00 H new ATOM 977 N ILE A 61 63.472 9.379 2.599 1.00 0.00 N ATOM 978 CA ILE A 61 63.492 8.862 1.231 1.00 0.00 C ATOM 979 C ILE A 61 63.577 10.016 0.207 1.00 0.00 C ATOM 980 O ILE A 61 64.165 9.898 -0.856 1.00 0.00 O ATOM 981 CB ILE A 61 62.229 8.019 0.981 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.166 6.799 1.903 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.095 7.585 -0.490 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.018 5.623 1.406 1.00 0.00 C ATOM 0 H ILE A 61 62.646 9.125 3.141 1.00 0.00 H new ATOM 0 HA ILE A 61 64.375 8.236 1.106 1.00 0.00 H new ATOM 0 HB ILE A 61 61.384 8.667 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.501 7.087 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.129 6.475 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.188 6.993 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.041 8.468 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.961 6.986 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.930 4.790 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.668 5.311 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.061 5.932 1.339 1.00 0.00 H new ATOM 996 N ARG A 62 62.966 11.147 0.597 1.00 0.00 N ATOM 997 CA ARG A 62 62.962 12.316 -0.267 1.00 0.00 C ATOM 998 C ARG A 62 64.375 12.904 -0.376 1.00 0.00 C ATOM 999 O ARG A 62 64.741 13.485 -1.389 1.00 0.00 O ATOM 1000 CB ARG A 62 61.936 13.344 0.247 1.00 0.00 C ATOM 1001 CG ARG A 62 62.335 14.818 0.066 1.00 0.00 C ATOM 1002 CD ARG A 62 61.151 15.730 -0.205 1.00 0.00 C ATOM 1003 NE ARG A 62 60.319 15.849 0.979 1.00 0.00 N ATOM 1004 CZ ARG A 62 59.298 16.730 1.007 1.00 0.00 C ATOM 1005 NH1 ARG A 62 59.022 17.490 -0.051 1.00 0.00 N ATOM 1006 NH2 ARG A 62 58.565 16.839 2.108 1.00 0.00 N ATOM 0 H ARG A 62 62.481 11.266 1.487 1.00 0.00 H new ATOM 0 HA ARG A 62 62.659 12.027 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 62 60.989 13.175 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 62 61.761 13.160 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 62 62.851 15.161 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.043 14.897 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 62 61.505 16.715 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.562 15.335 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 62 60.507 15.264 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 62 59.586 17.410 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 62 58.247 18.152 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 62 58.776 16.260 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 62 57.790 17.502 2.141 1.00 0.00 H new ATOM 1020 N ASP A 63 65.137 12.716 0.720 1.00 0.00 N ATOM 1021 CA ASP A 63 66.499 13.228 0.762 1.00 0.00 C ATOM 1022 C ASP A 63 67.383 12.563 -0.306 1.00 0.00 C ATOM 1023 O ASP A 63 68.353 13.141 -0.779 1.00 0.00 O ATOM 1024 CB ASP A 63 67.076 12.981 2.157 1.00 0.00 C ATOM 1025 CG ASP A 63 68.343 13.808 2.426 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.416 13.410 1.975 1.00 0.00 O ATOM 1027 OD2 ASP A 63 68.242 14.840 3.089 1.00 0.00 O ATOM 0 H ASP A 63 64.833 12.226 1.561 1.00 0.00 H new ATOM 0 HA ASP A 63 66.480 14.297 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.322 13.223 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.307 11.922 2.268 1.00 0.00 H new ATOM 1032 N TYR A 64 66.974 11.324 -0.648 1.00 0.00 N ATOM 1033 CA TYR A 64 67.681 10.545 -1.646 1.00 0.00 C ATOM 1034 C TYR A 64 66.876 10.480 -2.932 1.00 0.00 C ATOM 1035 O TYR A 64 67.139 9.616 -3.745 1.00 0.00 O ATOM 1036 CB TYR A 64 67.922 9.120 -1.129 1.00 0.00 C ATOM 1037 CG TYR A 64 68.957 9.119 -0.047 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.635 9.578 1.219 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.252 8.684 -0.298 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.598 9.637 2.208 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.210 8.708 0.700 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.882 9.188 1.961 1.00 0.00 C ATOM 1043 OH TYR A 64 71.803 9.204 2.985 1.00 0.00 O ATOM 0 H TYR A 64 66.162 10.857 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 64 68.638 11.028 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 64 66.990 8.703 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.246 8.480 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.624 9.892 1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.514 8.323 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.346 10.036 3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.210 8.354 0.499 1.00 0.00 H new ATOM 0 HH TYR A 64 72.270 8.343 3.018 1.00 0.00 H new ATOM 1053 N ARG A 65 65.897 11.402 -3.107 1.00 0.00 N ATOM 1054 CA ARG A 65 65.111 11.501 -4.344 1.00 0.00 C ATOM 1055 C ARG A 65 64.718 10.130 -4.943 1.00 0.00 C ATOM 1056 O ARG A 65 64.713 9.952 -6.154 1.00 0.00 O ATOM 1057 CB ARG A 65 65.828 12.385 -5.396 1.00 0.00 C ATOM 1058 CG ARG A 65 67.356 12.445 -5.260 1.00 0.00 C ATOM 1059 CD ARG A 65 68.019 13.095 -6.478 1.00 0.00 C ATOM 1060 NE ARG A 65 69.167 13.902 -6.088 1.00 0.00 N ATOM 1061 CZ ARG A 65 69.018 15.065 -5.412 1.00 0.00 C ATOM 1062 NH1 ARG A 65 67.813 15.505 -5.050 1.00 0.00 N ATOM 1063 NH2 ARG A 65 70.093 15.778 -5.100 1.00 0.00 N ATOM 0 H ARG A 65 65.638 12.088 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 65 64.175 11.983 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 65 65.581 12.013 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.432 13.398 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 67.618 13.006 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 65 67.748 11.436 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 65 68.336 12.322 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 67.294 13.719 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 65 70.105 13.583 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 65 66.981 14.962 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 65 67.723 16.384 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 65 71.020 15.448 -5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 65 69.992 16.656 -4.591 1.00 0.00 H new ATOM 1077 N ILE A 66 64.420 9.175 -4.027 1.00 0.00 N ATOM 1078 CA ILE A 66 64.181 7.801 -4.455 1.00 0.00 C ATOM 1079 C ILE A 66 62.824 7.720 -5.156 1.00 0.00 C ATOM 1080 O ILE A 66 61.783 7.545 -4.537 1.00 0.00 O ATOM 1081 CB ILE A 66 64.278 6.782 -3.301 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.323 7.210 -2.262 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.565 5.371 -3.829 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.830 6.117 -1.338 1.00 0.00 C ATOM 0 H ILE A 66 64.344 9.336 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 66 64.972 7.528 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 66 63.309 6.759 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.176 7.637 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.895 8.005 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.628 4.675 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.762 5.062 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.510 5.371 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.563 6.535 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 66 64.995 5.702 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.297 5.329 -1.929 1.00 0.00 H new ATOM 1096 N ASP A 67 62.927 7.878 -6.489 1.00 0.00 N ATOM 1097 CA ASP A 67 61.752 7.896 -7.340 1.00 0.00 C ATOM 1098 C ASP A 67 61.530 6.475 -7.844 1.00 0.00 C ATOM 1099 O ASP A 67 62.458 5.685 -7.882 1.00 0.00 O ATOM 1100 CB ASP A 67 61.936 8.907 -8.486 1.00 0.00 C ATOM 1101 CG ASP A 67 63.178 8.639 -9.361 1.00 0.00 C ATOM 1102 OD1 ASP A 67 64.265 9.082 -9.001 1.00 0.00 O ATOM 1103 OD2 ASP A 67 63.045 8.006 -10.402 1.00 0.00 O ATOM 0 H ASP A 67 63.811 7.993 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 67 60.869 8.220 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.048 8.891 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 67 62.010 9.910 -8.065 1.00 0.00 H new ATOM 1108 N GLU A 68 60.260 6.209 -8.217 1.00 0.00 N ATOM 1109 CA GLU A 68 59.873 4.906 -8.754 1.00 0.00 C ATOM 1110 C GLU A 68 60.695 4.540 -10.001 1.00 0.00 C ATOM 1111 O GLU A 68 61.171 3.418 -10.122 1.00 0.00 O ATOM 1112 CB GLU A 68 58.377 4.919 -9.106 1.00 0.00 C ATOM 1113 CG GLU A 68 57.926 3.735 -9.994 1.00 0.00 C ATOM 1114 CD GLU A 68 56.521 3.941 -10.583 1.00 0.00 C ATOM 1115 OE1 GLU A 68 56.227 5.045 -11.042 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.742 2.990 -10.593 1.00 0.00 O ATOM 0 H GLU A 68 59.496 6.881 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 68 60.071 4.154 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.798 4.908 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 68 58.143 5.853 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.641 3.602 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.938 2.818 -9.405 1.00 0.00 H new ATOM 1123 N LYS A 69 60.820 5.542 -10.911 1.00 0.00 N ATOM 1124 CA LYS A 69 61.576 5.360 -12.154 1.00 0.00 C ATOM 1125 C LYS A 69 62.983 4.773 -11.911 1.00 0.00 C ATOM 1126 O LYS A 69 63.533 4.083 -12.760 1.00 0.00 O ATOM 1127 CB LYS A 69 61.690 6.693 -12.930 1.00 0.00 C ATOM 1128 CG LYS A 69 60.664 6.845 -14.064 1.00 0.00 C ATOM 1129 CD LYS A 69 59.536 7.827 -13.711 1.00 0.00 C ATOM 1130 CE LYS A 69 59.781 9.230 -14.291 1.00 0.00 C ATOM 1131 NZ LYS A 69 59.470 10.301 -13.354 1.00 0.00 N ATOM 0 H LYS A 69 60.408 6.469 -10.799 1.00 0.00 H new ATOM 0 HA LYS A 69 61.018 4.640 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 69 61.569 7.520 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.693 6.774 -13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 69 61.172 7.189 -14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.234 5.870 -14.293 1.00 0.00 H new ATOM 0 HD2 LYS A 69 58.589 7.440 -14.089 1.00 0.00 H new ATOM 0 HD3 LYS A 69 59.443 7.895 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 69 60.825 9.313 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 69 59.177 9.355 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 59.656 11.220 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 58.468 10.244 -13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 60.064 10.204 -12.506 1.00 0.00 H new ATOM 1145 N ASN A 70 63.505 5.078 -10.704 1.00 0.00 N ATOM 1146 CA ASN A 70 64.781 4.553 -10.250 1.00 0.00 C ATOM 1147 C ASN A 70 64.521 3.555 -9.111 1.00 0.00 C ATOM 1148 O ASN A 70 63.441 3.491 -8.542 1.00 0.00 O ATOM 1149 CB ASN A 70 65.649 5.742 -9.805 1.00 0.00 C ATOM 1150 CG ASN A 70 67.150 5.425 -9.913 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.642 4.734 -8.871 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.806 5.775 -10.885 1.00 0.00 N flip ATOM 0 H ASN A 70 63.046 5.692 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 70 65.312 4.020 -11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.416 6.612 -10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.406 6.004 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 70 67.361 6.298 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.798 5.543 -10.941 1.00 0.00 H new ATOM 1159 N PHE A 71 65.579 2.778 -8.819 1.00 0.00 N ATOM 1160 CA PHE A 71 65.538 1.873 -7.687 1.00 0.00 C ATOM 1161 C PHE A 71 66.834 1.991 -6.883 1.00 0.00 C ATOM 1162 O PHE A 71 67.914 2.172 -7.429 1.00 0.00 O ATOM 1163 CB PHE A 71 65.250 0.454 -8.197 1.00 0.00 C ATOM 1164 CG PHE A 71 66.404 -0.263 -8.836 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.471 -0.697 -8.059 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.419 -0.510 -10.205 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.566 -1.305 -8.643 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.502 -1.153 -10.788 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.585 -1.532 -10.008 1.00 0.00 C ATOM 0 H PHE A 71 66.451 2.767 -9.348 1.00 0.00 H new ATOM 0 HA PHE A 71 64.733 2.134 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.894 -0.146 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.436 0.507 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.444 -0.558 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.585 -0.200 -10.817 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.407 -1.603 -8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 71 67.502 -1.358 -11.848 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.442 -2.004 -10.466 1.00 0.00 H new ATOM 1179 N VAL A 72 66.650 1.854 -5.556 1.00 0.00 N ATOM 1180 CA VAL A 72 67.780 1.876 -4.640 1.00 0.00 C ATOM 1181 C VAL A 72 68.208 0.437 -4.313 1.00 0.00 C ATOM 1182 O VAL A 72 67.390 -0.466 -4.223 1.00 0.00 O ATOM 1183 CB VAL A 72 67.346 2.668 -3.397 1.00 0.00 C ATOM 1184 CG1 VAL A 72 66.736 1.822 -2.309 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.483 3.462 -2.802 1.00 0.00 C ATOM 0 H VAL A 72 65.741 1.729 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 72 68.651 2.363 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 72 66.575 3.341 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.457 2.457 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 72 65.849 1.319 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.460 1.078 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.128 4.005 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.285 2.785 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.858 4.170 -3.541 1.00 0.00 H new ATOM 1195 N VAL A 73 69.530 0.273 -4.128 1.00 0.00 N ATOM 1196 CA VAL A 73 70.022 -1.048 -3.779 1.00 0.00 C ATOM 1197 C VAL A 73 69.894 -1.300 -2.267 1.00 0.00 C ATOM 1198 O VAL A 73 70.524 -0.629 -1.477 1.00 0.00 O ATOM 1199 CB VAL A 73 71.472 -1.230 -4.261 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.122 -2.500 -3.687 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.553 -1.168 -5.796 1.00 0.00 C ATOM 0 H VAL A 73 70.236 1.004 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 73 69.406 -1.790 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 73 72.056 -0.396 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.144 -2.584 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.133 -2.443 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.550 -3.374 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.588 -1.299 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 73 70.940 -1.960 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.189 -0.200 -6.141 1.00 0.00 H new ATOM 1211 N VAL A 74 69.087 -2.314 -1.901 1.00 0.00 N ATOM 1212 CA VAL A 74 68.988 -2.724 -0.498 1.00 0.00 C ATOM 1213 C VAL A 74 70.134 -3.705 -0.142 1.00 0.00 C ATOM 1214 O VAL A 74 69.993 -4.918 -0.232 1.00 0.00 O ATOM 1215 CB VAL A 74 67.598 -3.344 -0.226 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.137 -4.254 -1.372 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.531 -4.098 1.112 1.00 0.00 C ATOM 0 H VAL A 74 68.508 -2.851 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 74 69.095 -1.849 0.143 1.00 0.00 H new ATOM 0 HB VAL A 74 66.912 -2.500 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.156 -4.667 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.076 -3.676 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 74 67.851 -5.067 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.531 -4.511 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.261 -4.908 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.753 -3.411 1.928 1.00 0.00 H new ATOM 1227 N MET A 75 71.258 -3.102 0.302 1.00 0.00 N ATOM 1228 CA MET A 75 72.396 -3.866 0.811 1.00 0.00 C ATOM 1229 C MET A 75 72.274 -4.065 2.332 1.00 0.00 C ATOM 1230 O MET A 75 71.884 -3.171 3.063 1.00 0.00 O ATOM 1231 CB MET A 75 73.694 -3.116 0.471 1.00 0.00 C ATOM 1232 CG MET A 75 74.879 -3.495 1.374 1.00 0.00 C ATOM 1233 SD MET A 75 76.453 -2.949 0.697 1.00 0.00 S ATOM 1234 CE MET A 75 77.038 -4.527 0.048 1.00 0.00 C ATOM 0 H MET A 75 71.392 -2.091 0.314 1.00 0.00 H new ATOM 0 HA MET A 75 72.411 -4.850 0.343 1.00 0.00 H new ATOM 0 HB2 MET A 75 73.960 -3.319 -0.567 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.516 -2.044 0.551 1.00 0.00 H new ATOM 0 HG2 MET A 75 74.737 -3.053 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 75 74.899 -4.576 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 75 78.014 -4.390 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.122 -5.247 0.862 1.00 0.00 H new ATOM 0 HE3 MET A 75 76.332 -4.899 -0.694 1.00 0.00 H new ATOM 1244 N VAL A 76 72.669 -5.280 2.770 1.00 0.00 N ATOM 1245 CA VAL A 76 72.654 -5.587 4.196 1.00 0.00 C ATOM 1246 C VAL A 76 73.869 -6.445 4.528 1.00 0.00 C ATOM 1247 O VAL A 76 74.208 -7.360 3.790 1.00 0.00 O ATOM 1248 CB VAL A 76 71.363 -6.343 4.585 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.253 -6.577 6.107 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.108 -5.660 4.020 1.00 0.00 C ATOM 0 H VAL A 76 72.992 -6.037 2.168 1.00 0.00 H new ATOM 0 HA VAL A 76 72.685 -4.654 4.759 1.00 0.00 H new ATOM 0 HB VAL A 76 71.430 -7.328 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.329 -7.111 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.104 -7.168 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.249 -5.617 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.223 -6.223 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.040 -4.644 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.170 -5.627 2.932 1.00 0.00 H new