USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 14 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.0354 K(o=0.035,f=-1.8!) USER MOD Single : A 23 MET CE :methyl 161:sc= -7.17! (180deg=-8.59!) USER MOD Single : A 26 SER OG : rot 140:sc= -0.0272 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.677 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -1.32 USER MOD Single : A 70 SER OG : rot 52:sc= 0.287 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 83 MET CE :methyl -131:sc= -7.34! (180deg=-15.2!) USER MOD Single : A 84 THR OG1 : rot 77:sc= 0.283! USER MOD Single : A 86 THR OG1 : rot -90:sc= -3.28! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -2.34! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.689 -5.485 -7.713 1.00 0.00 N ATOM 154 CA GLU A 11 -3.617 -4.474 -8.755 1.00 0.00 C ATOM 155 C GLU A 11 -2.787 -3.280 -8.277 1.00 0.00 C ATOM 156 O GLU A 11 -2.652 -3.054 -7.076 1.00 0.00 O ATOM 157 CB GLU A 11 -5.014 -4.032 -9.189 1.00 0.00 C ATOM 158 CG GLU A 11 -5.687 -3.191 -8.101 1.00 0.00 C ATOM 159 CD GLU A 11 -6.945 -2.505 -8.637 1.00 0.00 C ATOM 160 OE1 GLU A 11 -7.669 -3.171 -9.409 1.00 0.00 O ATOM 161 OE2 GLU A 11 -7.153 -1.329 -8.265 1.00 0.00 O ATOM 0 HA GLU A 11 -3.125 -4.910 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.946 -3.454 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.625 -4.908 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.948 -3.826 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.988 -2.440 -7.733 1.00 0.00 H new ATOM 168 N ILE A 12 -2.251 -2.548 -9.243 1.00 0.00 N ATOM 169 CA ILE A 12 -1.438 -1.384 -8.937 1.00 0.00 C ATOM 170 C ILE A 12 -2.346 -0.161 -8.783 1.00 0.00 C ATOM 171 O ILE A 12 -2.932 0.308 -9.757 1.00 0.00 O ATOM 172 CB ILE A 12 -0.341 -1.206 -9.986 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.479 0.057 -9.713 1.00 0.00 C ATOM 174 CG2 ILE A 12 -0.923 -1.215 -11.400 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.796 0.035 -10.493 1.00 0.00 C ATOM 0 H ILE A 12 -2.364 -2.739 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.920 -1.520 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 12 0.339 -2.055 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.099 0.938 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.686 0.137 -8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.119 -1.086 -12.125 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.426 -2.165 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.639 -0.400 -11.504 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.360 0.944 -10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.382 -0.834 -10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.585 -0.021 -11.561 1.00 0.00 H new ATOM 187 N ILE A 13 -2.432 0.321 -7.552 1.00 0.00 N ATOM 188 CA ILE A 13 -3.257 1.480 -7.259 1.00 0.00 C ATOM 189 C ILE A 13 -2.356 2.684 -6.978 1.00 0.00 C ATOM 190 O ILE A 13 -1.236 2.527 -6.494 1.00 0.00 O ATOM 191 CB ILE A 13 -4.238 1.167 -6.125 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.643 -0.308 -6.142 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.453 2.096 -6.178 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.671 -0.606 -5.050 1.00 0.00 C ATOM 0 H ILE A 13 -1.944 -0.070 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.873 1.737 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.733 1.351 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.058 -0.564 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.762 -0.933 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.133 1.852 -5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.124 3.131 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.968 1.968 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.942 -1.661 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.244 -0.372 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.561 0.003 -5.212 1.00 0.00 H new ATOM 206 N THR A 14 -2.880 3.860 -7.294 1.00 0.00 N ATOM 207 CA THR A 14 -2.136 5.090 -7.082 1.00 0.00 C ATOM 208 C THR A 14 -2.911 6.029 -6.155 1.00 0.00 C ATOM 209 O THR A 14 -4.090 6.299 -6.383 1.00 0.00 O ATOM 210 CB THR A 14 -1.835 5.704 -8.452 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.112 6.894 -8.150 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.095 6.202 -9.160 1.00 0.00 C ATOM 0 H THR A 14 -3.809 3.987 -7.695 1.00 0.00 H new ATOM 0 HA THR A 14 -1.188 4.896 -6.580 1.00 0.00 H new ATOM 0 HB THR A 14 -1.336 4.965 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.876 7.353 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.825 6.628 -10.126 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.782 5.369 -9.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.578 6.965 -8.549 1.00 0.00 H new ATOM 220 N VAL A 15 -2.218 6.501 -5.130 1.00 0.00 N ATOM 221 CA VAL A 15 -2.825 7.404 -4.167 1.00 0.00 C ATOM 222 C VAL A 15 -2.111 8.755 -4.218 1.00 0.00 C ATOM 223 O VAL A 15 -0.948 8.861 -3.832 1.00 0.00 O ATOM 224 CB VAL A 15 -2.809 6.771 -2.774 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.025 7.215 -1.957 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.735 5.246 -2.866 1.00 0.00 C ATOM 0 H VAL A 15 -1.241 6.275 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.871 7.581 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.914 7.118 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.990 6.751 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.014 8.300 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.938 6.911 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.725 4.821 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.602 4.872 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.825 4.957 -3.392 1.00 0.00 H new ATOM 236 N THR A 16 -2.835 9.755 -4.699 1.00 0.00 N ATOM 237 CA THR A 16 -2.285 11.094 -4.806 1.00 0.00 C ATOM 238 C THR A 16 -2.472 11.855 -3.493 1.00 0.00 C ATOM 239 O THR A 16 -3.480 11.681 -2.808 1.00 0.00 O ATOM 240 CB THR A 16 -2.941 11.782 -6.004 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.751 10.864 -7.078 1.00 0.00 O ATOM 242 CG2 THR A 16 -2.186 13.036 -6.449 1.00 0.00 C ATOM 0 H THR A 16 -3.799 9.664 -5.019 1.00 0.00 H new ATOM 0 HA THR A 16 -1.209 11.065 -4.978 1.00 0.00 H new ATOM 0 HB THR A 16 -3.967 12.048 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.148 11.230 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.695 13.484 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.155 13.752 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.169 12.766 -6.734 1.00 0.00 H new ATOM 250 N LEU A 17 -1.486 12.681 -3.177 1.00 0.00 N ATOM 251 CA LEU A 17 -1.530 13.469 -1.957 1.00 0.00 C ATOM 252 C LEU A 17 -2.619 14.533 -2.081 1.00 0.00 C ATOM 253 O LEU A 17 -2.395 15.591 -2.671 1.00 0.00 O ATOM 254 CB LEU A 17 -0.145 14.038 -1.637 1.00 0.00 C ATOM 255 CG LEU A 17 0.758 13.159 -0.773 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.207 13.903 0.487 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.077 11.829 -0.442 1.00 0.00 C ATOM 0 H LEU A 17 -0.651 12.822 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.795 12.841 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.369 14.239 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.275 14.996 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 17 1.656 12.927 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.848 13.254 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.760 14.798 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.333 14.187 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.742 11.223 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.848 12.019 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.148 11.296 -1.366 1.00 0.00 H new ATOM 269 N LYS A 18 -3.777 14.221 -1.517 1.00 0.00 N ATOM 270 CA LYS A 18 -4.902 15.138 -1.558 1.00 0.00 C ATOM 271 C LYS A 18 -4.740 16.187 -0.456 1.00 0.00 C ATOM 272 O LYS A 18 -4.636 17.381 -0.741 1.00 0.00 O ATOM 273 CB LYS A 18 -6.223 14.370 -1.483 1.00 0.00 C ATOM 274 CG LYS A 18 -7.397 15.255 -1.905 1.00 0.00 C ATOM 275 CD LYS A 18 -8.509 14.421 -2.546 1.00 0.00 C ATOM 276 CE LYS A 18 -8.964 15.039 -3.870 1.00 0.00 C ATOM 277 NZ LYS A 18 -10.436 15.195 -3.892 1.00 0.00 N ATOM 0 H LYS A 18 -3.960 13.344 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.923 15.672 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.175 13.492 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.381 14.010 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.789 15.784 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.052 16.011 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.153 13.405 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.356 14.351 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.488 16.010 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.647 14.408 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.727 15.616 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.885 14.264 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.731 15.816 -3.111 1.00 0.00 H new ATOM 291 N LYS A 19 -4.719 15.707 0.779 1.00 0.00 N ATOM 292 CA LYS A 19 -4.569 16.589 1.923 1.00 0.00 C ATOM 293 C LYS A 19 -3.144 17.143 1.952 1.00 0.00 C ATOM 294 O LYS A 19 -2.816 17.978 2.792 1.00 0.00 O ATOM 295 CB LYS A 19 -4.976 15.869 3.210 1.00 0.00 C ATOM 296 CG LYS A 19 -5.269 16.870 4.329 1.00 0.00 C ATOM 297 CD LYS A 19 -6.775 17.076 4.502 1.00 0.00 C ATOM 298 CE LYS A 19 -7.167 17.053 5.980 1.00 0.00 C ATOM 299 NZ LYS A 19 -7.859 18.307 6.352 1.00 0.00 N ATOM 0 H LYS A 19 -4.803 14.718 1.012 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.240 17.443 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.858 15.257 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.179 15.194 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.838 16.512 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.792 17.823 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.068 18.028 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.316 16.296 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.817 16.200 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.277 16.925 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.118 18.275 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.227 19.116 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.719 18.413 5.776 1.00 0.00 H new ATOM 313 N GLN A 20 -2.334 16.653 1.024 1.00 0.00 N ATOM 314 CA GLN A 20 -0.951 17.090 0.933 1.00 0.00 C ATOM 315 C GLN A 20 -0.233 16.862 2.265 1.00 0.00 C ATOM 316 O GLN A 20 0.631 17.647 2.651 1.00 0.00 O ATOM 317 CB GLN A 20 -0.865 18.557 0.507 1.00 0.00 C ATOM 318 CG GLN A 20 -0.319 18.684 -0.916 1.00 0.00 C ATOM 319 CD GLN A 20 -0.630 20.062 -1.502 1.00 0.00 C ATOM 320 OE1 GLN A 20 -1.660 20.288 -2.114 1.00 0.00 O ATOM 321 NE2 GLN A 20 0.317 20.970 -1.279 1.00 0.00 N ATOM 0 H GLN A 20 -2.609 15.958 0.329 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.453 16.495 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.853 19.014 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.222 19.103 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.759 18.522 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.755 17.910 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.156 20.714 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.204 21.922 -1.628 1.00 0.00 H new ATOM 330 N ASN A 21 -0.618 15.784 2.932 1.00 0.00 N ATOM 331 CA ASN A 21 -0.023 15.443 4.213 1.00 0.00 C ATOM 332 C ASN A 21 0.819 14.175 4.058 1.00 0.00 C ATOM 333 O ASN A 21 0.664 13.437 3.086 1.00 0.00 O ATOM 334 CB ASN A 21 -1.100 15.169 5.265 1.00 0.00 C ATOM 335 CG ASN A 21 -0.712 15.771 6.617 1.00 0.00 C ATOM 336 OD1 ASN A 21 0.202 15.321 7.287 1.00 0.00 O ATOM 337 ND2 ASN A 21 -1.455 16.814 6.977 1.00 0.00 N ATOM 0 H ASN A 21 -1.335 15.135 2.609 1.00 0.00 H new ATOM 0 HA ASN A 21 0.590 16.285 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.050 15.589 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.246 14.094 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.274 17.288 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.206 17.140 6.368 1.00 0.00 H new ATOM 344 N GLY A 22 1.694 13.963 5.030 1.00 0.00 N ATOM 345 CA GLY A 22 2.562 12.796 5.013 1.00 0.00 C ATOM 346 C GLY A 22 1.945 11.666 4.189 1.00 0.00 C ATOM 347 O GLY A 22 2.471 11.297 3.141 1.00 0.00 O ATOM 0 H GLY A 22 1.821 14.578 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.532 13.066 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.737 12.454 6.033 1.00 0.00 H new ATOM 351 N MET A 23 0.836 11.145 4.694 1.00 0.00 N ATOM 352 CA MET A 23 0.140 10.062 4.017 1.00 0.00 C ATOM 353 C MET A 23 -0.737 9.279 4.996 1.00 0.00 C ATOM 354 O MET A 23 -1.884 8.961 4.690 1.00 0.00 O ATOM 355 CB MET A 23 1.161 9.120 3.379 1.00 0.00 C ATOM 356 CG MET A 23 1.151 9.251 1.855 1.00 0.00 C ATOM 357 SD MET A 23 2.822 9.359 1.239 1.00 0.00 S ATOM 358 CE MET A 23 3.275 7.633 1.266 1.00 0.00 C ATOM 0 H MET A 23 0.402 11.452 5.564 1.00 0.00 H new ATOM 0 HA MET A 23 -0.501 10.491 3.247 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.157 9.345 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.937 8.091 3.661 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.646 8.393 1.412 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.589 10.138 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.135 7.472 0.615 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.531 7.340 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.437 7.031 0.915 1.00 0.00 H new ATOM 368 N GLY A 24 -0.162 8.988 6.154 1.00 0.00 N ATOM 369 CA GLY A 24 -0.878 8.248 7.180 1.00 0.00 C ATOM 370 C GLY A 24 -1.279 6.861 6.673 1.00 0.00 C ATOM 371 O GLY A 24 -2.465 6.571 6.521 1.00 0.00 O ATOM 0 H GLY A 24 0.791 9.251 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.251 8.149 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.768 8.802 7.479 1.00 0.00 H new ATOM 375 N LEU A 25 -0.268 6.039 6.427 1.00 0.00 N ATOM 376 CA LEU A 25 -0.502 4.690 5.942 1.00 0.00 C ATOM 377 C LEU A 25 0.158 3.690 6.893 1.00 0.00 C ATOM 378 O LEU A 25 1.106 4.031 7.598 1.00 0.00 O ATOM 379 CB LEU A 25 -0.040 4.556 4.490 1.00 0.00 C ATOM 380 CG LEU A 25 -1.111 4.777 3.421 1.00 0.00 C ATOM 381 CD1 LEU A 25 -0.736 4.077 2.114 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.489 4.344 3.928 1.00 0.00 C ATOM 0 H LEU A 25 0.714 6.282 6.555 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.569 4.467 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.767 5.268 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.380 3.559 4.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.166 5.845 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.515 4.251 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.210 4.474 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.636 3.006 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.233 4.512 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.466 3.285 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.751 4.927 4.811 1.00 0.00 H new ATOM 394 N SER A 26 -0.368 2.474 6.880 1.00 0.00 N ATOM 395 CA SER A 26 0.158 1.422 7.732 1.00 0.00 C ATOM 396 C SER A 26 0.177 0.093 6.974 1.00 0.00 C ATOM 397 O SER A 26 -0.875 -0.481 6.694 1.00 0.00 O ATOM 398 CB SER A 26 -0.666 1.288 9.015 1.00 0.00 C ATOM 399 OG SER A 26 0.105 0.766 10.094 1.00 0.00 O ATOM 0 H SER A 26 -1.153 2.194 6.292 1.00 0.00 H new ATOM 0 HA SER A 26 1.177 1.688 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.064 2.264 9.293 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.520 0.636 8.831 1.00 0.00 H new ATOM 0 HG SER A 26 -0.129 1.237 10.921 1.00 0.00 H new ATOM 405 N ILE A 27 1.382 -0.356 6.659 1.00 0.00 N ATOM 406 CA ILE A 27 1.553 -1.605 5.937 1.00 0.00 C ATOM 407 C ILE A 27 2.563 -2.484 6.678 1.00 0.00 C ATOM 408 O ILE A 27 3.231 -2.023 7.601 1.00 0.00 O ATOM 409 CB ILE A 27 1.926 -1.334 4.478 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.445 -1.348 4.290 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.300 -0.030 3.985 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.830 -0.811 2.910 1.00 0.00 C ATOM 0 H ILE A 27 2.252 0.124 6.891 1.00 0.00 H new ATOM 0 HA ILE A 27 0.614 -2.157 5.904 1.00 0.00 H new ATOM 0 HB ILE A 27 1.517 -2.138 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.917 -0.743 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.820 -2.365 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.581 0.138 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.215 -0.096 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.657 0.799 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.914 -0.831 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.376 -1.433 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.474 0.214 2.806 1.00 0.00 H new ATOM 424 N VAL A 28 2.639 -3.734 6.246 1.00 0.00 N ATOM 425 CA VAL A 28 3.556 -4.682 6.858 1.00 0.00 C ATOM 426 C VAL A 28 3.967 -5.728 5.819 1.00 0.00 C ATOM 427 O VAL A 28 3.159 -6.129 4.984 1.00 0.00 O ATOM 428 CB VAL A 28 2.919 -5.296 8.105 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.472 -5.713 7.835 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.744 -6.478 8.618 1.00 0.00 C ATOM 0 H VAL A 28 2.081 -4.113 5.480 1.00 0.00 H new ATOM 0 HA VAL A 28 4.464 -4.177 7.189 1.00 0.00 H new ATOM 0 HB VAL A 28 2.907 -4.533 8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.044 -6.146 8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.890 -4.839 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.450 -6.451 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.268 -6.896 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.804 -7.243 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.748 -6.138 8.871 1.00 0.00 H new ATOM 440 N ALA A 29 5.223 -6.141 5.908 1.00 0.00 N ATOM 441 CA ALA A 29 5.751 -7.133 4.987 1.00 0.00 C ATOM 442 C ALA A 29 6.367 -8.285 5.783 1.00 0.00 C ATOM 443 O ALA A 29 7.007 -8.061 6.811 1.00 0.00 O ATOM 444 CB ALA A 29 6.758 -6.471 4.045 1.00 0.00 C ATOM 0 H ALA A 29 5.890 -5.807 6.604 1.00 0.00 H new ATOM 0 HA ALA A 29 4.953 -7.548 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.154 -7.215 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.263 -5.680 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.575 -6.045 4.627 1.00 0.00 H new ATOM 450 N ALA A 30 6.155 -9.492 5.279 1.00 0.00 N ATOM 451 CA ALA A 30 6.683 -10.678 5.930 1.00 0.00 C ATOM 452 C ALA A 30 7.645 -11.393 4.979 1.00 0.00 C ATOM 453 O ALA A 30 7.655 -11.120 3.780 1.00 0.00 O ATOM 454 CB ALA A 30 5.525 -11.576 6.372 1.00 0.00 C ATOM 0 H ALA A 30 5.624 -9.674 4.427 1.00 0.00 H new ATOM 0 HA ALA A 30 7.245 -10.406 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.921 -12.466 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.888 -11.032 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.940 -11.870 5.501 1.00 0.00 H new ATOM 576 N GLY A 39 5.461 -11.642 1.771 1.00 0.00 N ATOM 577 CA GLY A 39 4.083 -11.206 1.621 1.00 0.00 C ATOM 578 C GLY A 39 3.853 -9.862 2.314 1.00 0.00 C ATOM 579 O GLY A 39 4.128 -9.719 3.504 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.839 -11.119 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.413 -11.955 2.042 1.00 0.00 H new ATOM 583 N ILE A 40 3.350 -8.911 1.540 1.00 0.00 N ATOM 584 CA ILE A 40 3.079 -7.584 2.066 1.00 0.00 C ATOM 585 C ILE A 40 1.584 -7.452 2.360 1.00 0.00 C ATOM 586 O ILE A 40 0.769 -8.169 1.783 1.00 0.00 O ATOM 587 CB ILE A 40 3.616 -6.512 1.114 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.783 -7.050 0.284 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.993 -5.241 1.879 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.217 -6.034 -0.775 1.00 0.00 C ATOM 0 H ILE A 40 3.123 -9.033 0.553 1.00 0.00 H new ATOM 0 HA ILE A 40 3.604 -7.433 3.009 1.00 0.00 H new ATOM 0 HB ILE A 40 2.822 -6.245 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.624 -7.280 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.491 -7.982 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.372 -4.495 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.113 -4.848 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.763 -5.474 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.048 -6.441 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.381 -5.824 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.532 -5.112 -0.287 1.00 0.00 H new ATOM 602 N TYR A 41 1.269 -6.531 3.259 1.00 0.00 N ATOM 603 CA TYR A 41 -0.113 -6.295 3.638 1.00 0.00 C ATOM 604 C TYR A 41 -0.321 -4.848 4.088 1.00 0.00 C ATOM 605 O TYR A 41 0.642 -4.094 4.230 1.00 0.00 O ATOM 606 CB TYR A 41 -0.392 -7.228 4.819 1.00 0.00 C ATOM 607 CG TYR A 41 -1.738 -7.950 4.736 1.00 0.00 C ATOM 608 CD1 TYR A 41 -2.019 -8.766 3.659 1.00 0.00 C ATOM 609 CD2 TYR A 41 -2.670 -7.785 5.739 1.00 0.00 C ATOM 610 CE1 TYR A 41 -3.286 -9.446 3.583 1.00 0.00 C ATOM 611 CE2 TYR A 41 -3.938 -8.465 5.662 1.00 0.00 C ATOM 612 CZ TYR A 41 -4.183 -9.264 4.588 1.00 0.00 C ATOM 613 OH TYR A 41 -5.380 -9.904 4.515 1.00 0.00 O ATOM 0 H TYR A 41 1.949 -5.939 3.736 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.778 -6.478 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.404 -7.970 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.358 -6.649 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.289 -8.894 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.450 -7.146 6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.519 -10.087 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.678 -8.343 6.439 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.919 -9.681 5.303 1.00 0.00 H new ATOM 623 N VAL A 42 -1.582 -4.501 4.296 1.00 0.00 N ATOM 624 CA VAL A 42 -1.927 -3.156 4.725 1.00 0.00 C ATOM 625 C VAL A 42 -2.632 -3.224 6.083 1.00 0.00 C ATOM 626 O VAL A 42 -3.700 -3.822 6.202 1.00 0.00 O ATOM 627 CB VAL A 42 -2.766 -2.461 3.651 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.445 -1.211 4.211 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.915 -2.125 2.426 1.00 0.00 C ATOM 0 H VAL A 42 -2.378 -5.128 4.176 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.027 -2.555 4.854 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.548 -3.151 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.035 -0.736 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.098 -1.491 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.687 -0.514 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.534 -1.632 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.102 -1.461 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.501 -3.043 2.008 1.00 0.00 H new ATOM 639 N LYS A 43 -2.005 -2.604 7.071 1.00 0.00 N ATOM 640 CA LYS A 43 -2.558 -2.587 8.415 1.00 0.00 C ATOM 641 C LYS A 43 -3.764 -1.647 8.453 1.00 0.00 C ATOM 642 O LYS A 43 -4.817 -2.004 8.979 1.00 0.00 O ATOM 643 CB LYS A 43 -1.474 -2.237 9.436 1.00 0.00 C ATOM 644 CG LYS A 43 -2.045 -2.216 10.856 1.00 0.00 C ATOM 645 CD LYS A 43 -2.524 -0.812 11.232 1.00 0.00 C ATOM 646 CE LYS A 43 -3.704 -0.879 12.206 1.00 0.00 C ATOM 647 NZ LYS A 43 -3.672 0.272 13.136 1.00 0.00 N ATOM 0 H LYS A 43 -1.119 -2.109 6.968 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.916 -3.578 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.665 -2.965 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.046 -1.263 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.875 -2.919 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.284 -2.546 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.705 -0.253 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.820 -0.272 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.642 -0.880 11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.666 -1.811 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.478 0.212 13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.785 0.256 13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.731 1.158 12.594 1.00 0.00 H new ATOM 661 N SER A 44 -3.572 -0.465 7.886 1.00 0.00 N ATOM 662 CA SER A 44 -4.631 0.529 7.849 1.00 0.00 C ATOM 663 C SER A 44 -4.031 1.932 7.757 1.00 0.00 C ATOM 664 O SER A 44 -2.814 2.097 7.834 1.00 0.00 O ATOM 665 CB SER A 44 -5.534 0.418 9.079 1.00 0.00 C ATOM 666 OG SER A 44 -6.183 1.651 9.377 1.00 0.00 O ATOM 0 H SER A 44 -2.698 -0.173 7.448 1.00 0.00 H new ATOM 0 HA SER A 44 -5.241 0.344 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.284 -0.355 8.910 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.940 0.104 9.938 1.00 0.00 H new ATOM 0 HG SER A 44 -6.751 1.539 10.167 1.00 0.00 H new ATOM 672 N VAL A 45 -4.910 2.910 7.591 1.00 0.00 N ATOM 673 CA VAL A 45 -4.480 4.293 7.487 1.00 0.00 C ATOM 674 C VAL A 45 -4.228 4.851 8.889 1.00 0.00 C ATOM 675 O VAL A 45 -4.768 4.342 9.869 1.00 0.00 O ATOM 676 CB VAL A 45 -5.512 5.103 6.698 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.813 4.444 5.350 1.00 0.00 C ATOM 678 CG2 VAL A 45 -6.793 5.299 7.512 1.00 0.00 C ATOM 0 H VAL A 45 -5.918 2.771 7.526 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.542 4.361 6.936 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.086 6.087 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.549 5.040 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.897 4.380 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.208 3.442 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.510 5.877 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.223 4.327 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.560 5.833 8.434 1.00 0.00 H new ATOM 688 N VAL A 46 -3.407 5.889 8.939 1.00 0.00 N ATOM 689 CA VAL A 46 -3.075 6.522 10.204 1.00 0.00 C ATOM 690 C VAL A 46 -4.199 7.482 10.600 1.00 0.00 C ATOM 691 O VAL A 46 -4.092 8.191 11.599 1.00 0.00 O ATOM 692 CB VAL A 46 -1.710 7.206 10.106 1.00 0.00 C ATOM 693 CG1 VAL A 46 -1.321 7.845 11.441 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.637 6.224 9.634 1.00 0.00 C ATOM 0 H VAL A 46 -2.961 6.308 8.123 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.992 5.775 10.994 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.785 8.000 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.347 8.325 11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.066 8.590 11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.272 7.076 12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.323 6.736 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.563 5.398 10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.905 5.837 8.651 1.00 0.00 H new ATOM 704 N LYS A 47 -5.252 7.472 9.795 1.00 0.00 N ATOM 705 CA LYS A 47 -6.395 8.333 10.048 1.00 0.00 C ATOM 706 C LYS A 47 -5.907 9.761 10.299 1.00 0.00 C ATOM 707 O LYS A 47 -6.373 10.428 11.220 1.00 0.00 O ATOM 708 CB LYS A 47 -7.251 7.767 11.184 1.00 0.00 C ATOM 709 CG LYS A 47 -6.491 7.803 12.512 1.00 0.00 C ATOM 710 CD LYS A 47 -7.443 7.599 13.692 1.00 0.00 C ATOM 711 CE LYS A 47 -6.982 8.398 14.913 1.00 0.00 C ATOM 712 NZ LYS A 47 -7.704 7.955 16.127 1.00 0.00 N ATOM 0 H LYS A 47 -5.337 6.882 8.968 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.047 8.367 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.172 8.343 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.537 6.741 10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.726 7.027 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.977 8.759 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.449 7.908 13.410 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.494 6.540 13.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.909 8.270 15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.157 9.461 14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.379 8.508 16.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.725 8.100 15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.516 6.946 16.294 1.00 0.00 H new ATOM 726 N GLY A 48 -4.973 10.188 9.461 1.00 0.00 N ATOM 727 CA GLY A 48 -4.417 11.526 9.581 1.00 0.00 C ATOM 728 C GLY A 48 -3.389 11.792 8.478 1.00 0.00 C ATOM 729 O GLY A 48 -2.327 12.357 8.737 1.00 0.00 O ATOM 0 H GLY A 48 -4.588 9.632 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.218 12.263 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.947 11.642 10.557 1.00 0.00 H new ATOM 733 N GLY A 49 -3.741 11.371 7.272 1.00 0.00 N ATOM 734 CA GLY A 49 -2.863 11.557 6.129 1.00 0.00 C ATOM 735 C GLY A 49 -3.669 11.799 4.852 1.00 0.00 C ATOM 736 O GLY A 49 -4.879 11.586 4.828 1.00 0.00 O ATOM 0 H GLY A 49 -4.622 10.902 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.199 12.402 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.232 10.677 6.004 1.00 0.00 H new ATOM 740 N ALA A 50 -2.964 12.245 3.822 1.00 0.00 N ATOM 741 CA ALA A 50 -3.600 12.519 2.543 1.00 0.00 C ATOM 742 C ALA A 50 -4.204 11.226 1.991 1.00 0.00 C ATOM 743 O ALA A 50 -5.410 11.150 1.760 1.00 0.00 O ATOM 744 CB ALA A 50 -2.578 13.140 1.589 1.00 0.00 C ATOM 0 H ALA A 50 -1.960 12.423 3.847 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.412 13.236 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.054 13.346 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.202 14.070 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.750 12.447 1.442 1.00 0.00 H new ATOM 750 N ALA A 51 -3.340 10.243 1.797 1.00 0.00 N ATOM 751 CA ALA A 51 -3.774 8.957 1.276 1.00 0.00 C ATOM 752 C ALA A 51 -4.703 8.287 2.291 1.00 0.00 C ATOM 753 O ALA A 51 -5.574 7.504 1.918 1.00 0.00 O ATOM 754 CB ALA A 51 -2.549 8.099 0.952 1.00 0.00 C ATOM 0 H ALA A 51 -2.341 10.310 1.991 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.336 9.087 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.873 7.135 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.937 8.606 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.963 7.945 1.858 1.00 0.00 H new ATOM 760 N ASP A 52 -4.485 8.622 3.554 1.00 0.00 N ATOM 761 CA ASP A 52 -5.293 8.064 4.626 1.00 0.00 C ATOM 762 C ASP A 52 -6.768 8.369 4.357 1.00 0.00 C ATOM 763 O ASP A 52 -7.603 7.464 4.359 1.00 0.00 O ATOM 764 CB ASP A 52 -4.920 8.680 5.975 1.00 0.00 C ATOM 765 CG ASP A 52 -6.104 9.169 6.812 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.041 8.364 6.994 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.046 10.338 7.249 1.00 0.00 O ATOM 0 H ASP A 52 -3.761 9.272 3.859 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.114 6.989 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.366 7.941 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.247 9.519 5.801 1.00 0.00 H new ATOM 772 N VAL A 53 -7.045 9.645 4.135 1.00 0.00 N ATOM 773 CA VAL A 53 -8.406 10.080 3.867 1.00 0.00 C ATOM 774 C VAL A 53 -8.741 9.813 2.399 1.00 0.00 C ATOM 775 O VAL A 53 -9.655 9.048 2.095 1.00 0.00 O ATOM 776 CB VAL A 53 -8.573 11.548 4.262 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.046 11.962 4.225 1.00 0.00 C ATOM 778 CG2 VAL A 53 -7.962 11.819 5.638 1.00 0.00 C ATOM 0 H VAL A 53 -6.351 10.392 4.135 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.115 9.513 4.470 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.036 12.154 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.137 13.010 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.437 11.825 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.615 11.346 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.095 12.870 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.457 11.198 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.898 11.582 5.617 1.00 0.00 H new ATOM 788 N ASP A 54 -7.985 10.460 1.525 1.00 0.00 N ATOM 789 CA ASP A 54 -8.189 10.303 0.095 1.00 0.00 C ATOM 790 C ASP A 54 -8.182 8.815 -0.256 1.00 0.00 C ATOM 791 O ASP A 54 -9.193 8.271 -0.698 1.00 0.00 O ATOM 792 CB ASP A 54 -7.073 10.983 -0.701 1.00 0.00 C ATOM 793 CG ASP A 54 -7.293 11.029 -2.211 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.448 10.789 -2.627 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.300 11.303 -2.922 1.00 0.00 O ATOM 0 H ASP A 54 -7.229 11.095 1.780 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.144 10.763 -0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.956 12.003 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.136 10.463 -0.501 1.00 0.00 H new ATOM 800 N GLY A 55 -7.029 8.196 -0.048 1.00 0.00 N ATOM 801 CA GLY A 55 -6.875 6.780 -0.337 1.00 0.00 C ATOM 802 C GLY A 55 -8.002 5.965 0.303 1.00 0.00 C ATOM 803 O GLY A 55 -8.712 5.234 -0.386 1.00 0.00 O ATOM 0 H GLY A 55 -6.192 8.650 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.875 6.623 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.912 6.431 0.036 1.00 0.00 H new ATOM 807 N ARG A 56 -8.128 6.118 1.614 1.00 0.00 N ATOM 808 CA ARG A 56 -9.155 5.404 2.353 1.00 0.00 C ATOM 809 C ARG A 56 -9.039 3.899 2.106 1.00 0.00 C ATOM 810 O ARG A 56 -10.039 3.230 1.855 1.00 0.00 O ATOM 811 CB ARG A 56 -10.553 5.875 1.948 1.00 0.00 C ATOM 812 CG ARG A 56 -11.615 5.323 2.901 1.00 0.00 C ATOM 813 CD ARG A 56 -11.982 6.354 3.970 1.00 0.00 C ATOM 814 NE ARG A 56 -13.419 6.247 4.304 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.027 6.974 5.252 1.00 0.00 C ATOM 816 NH1 ARG A 56 -13.325 7.865 5.965 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.335 6.810 5.487 1.00 0.00 N ATOM 0 H ARG A 56 -7.537 6.725 2.182 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.006 5.613 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.588 6.964 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.769 5.551 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.506 5.046 2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.244 4.416 3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.379 6.193 4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.758 7.358 3.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.983 5.578 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.329 7.990 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.787 8.419 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.869 6.131 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.797 7.364 6.209 1.00 0.00 H new ATOM 831 N LEU A 57 -7.811 3.410 2.187 1.00 0.00 N ATOM 832 CA LEU A 57 -7.551 1.998 1.975 1.00 0.00 C ATOM 833 C LEU A 57 -8.131 1.196 3.141 1.00 0.00 C ATOM 834 O LEU A 57 -8.185 1.683 4.269 1.00 0.00 O ATOM 835 CB LEU A 57 -6.057 1.755 1.746 1.00 0.00 C ATOM 836 CG LEU A 57 -5.482 2.300 0.437 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.954 2.345 0.487 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.991 1.496 -0.761 1.00 0.00 C ATOM 0 H LEU A 57 -6.984 3.968 2.397 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.049 1.652 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.506 2.199 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.874 0.681 1.781 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.831 3.325 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.570 2.736 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.636 2.992 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.565 1.339 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.568 1.904 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.690 0.454 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.078 1.557 -0.805 1.00 0.00 H new ATOM 850 N ALA A 58 -8.554 -0.021 2.829 1.00 0.00 N ATOM 851 CA ALA A 58 -9.130 -0.893 3.836 1.00 0.00 C ATOM 852 C ALA A 58 -8.010 -1.665 4.537 1.00 0.00 C ATOM 853 O ALA A 58 -6.944 -1.879 3.961 1.00 0.00 O ATOM 854 CB ALA A 58 -10.156 -1.823 3.183 1.00 0.00 C ATOM 0 H ALA A 58 -8.509 -0.423 1.892 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.654 -0.309 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.588 -2.477 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.946 -1.228 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.666 -2.426 2.419 1.00 0.00 H new ATOM 860 N ALA A 59 -8.289 -2.060 5.772 1.00 0.00 N ATOM 861 CA ALA A 59 -7.319 -2.803 6.557 1.00 0.00 C ATOM 862 C ALA A 59 -7.366 -4.278 6.157 1.00 0.00 C ATOM 863 O ALA A 59 -8.379 -4.947 6.360 1.00 0.00 O ATOM 864 CB ALA A 59 -7.599 -2.593 8.046 1.00 0.00 C ATOM 0 H ALA A 59 -9.173 -1.879 6.247 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.310 -2.441 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.871 -3.151 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.523 -1.532 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.603 -2.946 8.281 1.00 0.00 H new ATOM 870 N GLY A 60 -6.258 -4.742 5.594 1.00 0.00 N ATOM 871 CA GLY A 60 -6.162 -6.126 5.164 1.00 0.00 C ATOM 872 C GLY A 60 -5.949 -6.217 3.652 1.00 0.00 C ATOM 873 O GLY A 60 -6.563 -7.047 2.983 1.00 0.00 O ATOM 0 H GLY A 60 -5.421 -4.184 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.336 -6.615 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.071 -6.660 5.439 1.00 0.00 H new ATOM 877 N ASP A 61 -5.078 -5.350 3.156 1.00 0.00 N ATOM 878 CA ASP A 61 -4.777 -5.322 1.734 1.00 0.00 C ATOM 879 C ASP A 61 -3.385 -5.911 1.501 1.00 0.00 C ATOM 880 O ASP A 61 -2.387 -5.360 1.965 1.00 0.00 O ATOM 881 CB ASP A 61 -4.779 -3.888 1.200 1.00 0.00 C ATOM 882 CG ASP A 61 -5.864 -2.982 1.783 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.954 -3.519 2.077 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.581 -1.772 1.920 1.00 0.00 O ATOM 0 H ASP A 61 -4.571 -4.662 3.713 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.541 -5.902 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.806 -3.440 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.897 -3.920 0.117 1.00 0.00 H new ATOM 889 N GLN A 62 -3.362 -7.023 0.782 1.00 0.00 N ATOM 890 CA GLN A 62 -2.108 -7.694 0.482 1.00 0.00 C ATOM 891 C GLN A 62 -1.336 -6.922 -0.590 1.00 0.00 C ATOM 892 O GLN A 62 -1.795 -6.802 -1.725 1.00 0.00 O ATOM 893 CB GLN A 62 -2.351 -9.141 0.047 1.00 0.00 C ATOM 894 CG GLN A 62 -1.040 -9.818 -0.359 1.00 0.00 C ATOM 895 CD GLN A 62 -0.959 -11.238 0.204 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.809 -12.080 -0.038 1.00 0.00 O ATOM 897 NE2 GLN A 62 0.108 -11.457 0.966 1.00 0.00 N ATOM 0 H GLN A 62 -4.191 -7.477 0.398 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.505 -7.718 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.814 -9.697 0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.049 -9.161 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.964 -9.849 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.196 -9.231 0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.781 -10.708 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.253 -12.374 1.388 1.00 0.00 H new ATOM 906 N LEU A 63 -0.178 -6.419 -0.192 1.00 0.00 N ATOM 907 CA LEU A 63 0.662 -5.661 -1.104 1.00 0.00 C ATOM 908 C LEU A 63 1.771 -6.569 -1.642 1.00 0.00 C ATOM 909 O LEU A 63 2.180 -7.519 -0.976 1.00 0.00 O ATOM 910 CB LEU A 63 1.181 -4.392 -0.428 1.00 0.00 C ATOM 911 CG LEU A 63 2.175 -3.557 -1.238 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.496 -2.318 -1.827 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.400 -3.193 -0.397 1.00 0.00 C ATOM 0 H LEU A 63 0.199 -6.521 0.750 1.00 0.00 H new ATOM 0 HA LEU A 63 0.082 -5.321 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.327 -3.762 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.655 -4.673 0.512 1.00 0.00 H new ATOM 0 HG LEU A 63 2.527 -4.161 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.224 -1.741 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.682 -2.626 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.098 -1.703 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.090 -2.600 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.086 -2.615 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.898 -4.104 -0.066 1.00 0.00 H new ATOM 925 N LEU A 64 2.228 -6.244 -2.844 1.00 0.00 N ATOM 926 CA LEU A 64 3.282 -7.016 -3.479 1.00 0.00 C ATOM 927 C LEU A 64 4.283 -6.064 -4.134 1.00 0.00 C ATOM 928 O LEU A 64 5.491 -6.288 -4.074 1.00 0.00 O ATOM 929 CB LEU A 64 2.686 -8.043 -4.442 1.00 0.00 C ATOM 930 CG LEU A 64 2.670 -9.493 -3.956 1.00 0.00 C ATOM 931 CD1 LEU A 64 2.465 -9.560 -2.442 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.627 -10.315 -4.713 1.00 0.00 C ATOM 0 H LEU A 64 1.887 -5.456 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 64 3.833 -7.593 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.662 -7.746 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.245 -8.001 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 64 3.643 -9.936 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.457 -10.602 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.277 -9.032 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.515 -9.094 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.637 -11.342 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.639 -9.883 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.860 -10.307 -5.778 1.00 0.00 H new ATOM 944 N SER A 65 3.744 -5.020 -4.747 1.00 0.00 N ATOM 945 CA SER A 65 4.575 -4.032 -5.414 1.00 0.00 C ATOM 946 C SER A 65 4.565 -2.722 -4.625 1.00 0.00 C ATOM 947 O SER A 65 3.624 -2.447 -3.882 1.00 0.00 O ATOM 948 CB SER A 65 4.101 -3.793 -6.849 1.00 0.00 C ATOM 949 OG SER A 65 5.037 -4.278 -7.809 1.00 0.00 O ATOM 0 H SER A 65 2.742 -4.837 -4.796 1.00 0.00 H new ATOM 0 HA SER A 65 5.595 -4.414 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.140 -4.284 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.942 -2.726 -7.005 1.00 0.00 H new ATOM 0 HG SER A 65 4.697 -4.108 -8.712 1.00 0.00 H new ATOM 955 N VAL A 66 5.624 -1.946 -4.814 1.00 0.00 N ATOM 956 CA VAL A 66 5.746 -0.670 -4.130 1.00 0.00 C ATOM 957 C VAL A 66 5.987 0.436 -5.161 1.00 0.00 C ATOM 958 O VAL A 66 6.443 0.164 -6.270 1.00 0.00 O ATOM 959 CB VAL A 66 6.848 -0.750 -3.071 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.981 0.232 -3.382 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.282 -0.508 -1.671 1.00 0.00 C ATOM 0 H VAL A 66 6.404 -2.177 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 66 4.823 -0.428 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 66 7.262 -1.758 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.751 0.155 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.413 -0.007 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.587 1.248 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.086 -0.570 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.828 0.482 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.528 -1.263 -1.448 1.00 0.00 H new ATOM 971 N ASP A 67 5.670 1.656 -4.755 1.00 0.00 N ATOM 972 CA ASP A 67 5.846 2.804 -5.630 1.00 0.00 C ATOM 973 C ASP A 67 7.340 3.081 -5.806 1.00 0.00 C ATOM 974 O ASP A 67 8.029 3.423 -4.848 1.00 0.00 O ATOM 975 CB ASP A 67 5.200 4.056 -5.032 1.00 0.00 C ATOM 976 CG ASP A 67 5.349 5.324 -5.875 1.00 0.00 C ATOM 977 OD1 ASP A 67 5.936 5.211 -6.972 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.869 6.377 -5.402 1.00 0.00 O ATOM 0 H ASP A 67 5.293 1.875 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 67 5.374 2.576 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.138 3.862 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.635 4.237 -4.049 1.00 0.00 H new ATOM 983 N GLY A 68 7.797 2.922 -7.040 1.00 0.00 N ATOM 984 CA GLY A 68 9.196 3.149 -7.356 1.00 0.00 C ATOM 985 C GLY A 68 9.922 1.828 -7.616 1.00 0.00 C ATOM 986 O GLY A 68 10.988 1.813 -8.230 1.00 0.00 O ATOM 0 H GLY A 68 7.222 2.638 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.275 3.790 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.677 3.676 -6.532 1.00 0.00 H new ATOM 990 N ARG A 69 9.315 0.752 -7.139 1.00 0.00 N ATOM 991 CA ARG A 69 9.891 -0.570 -7.313 1.00 0.00 C ATOM 992 C ARG A 69 8.786 -1.628 -7.356 1.00 0.00 C ATOM 993 O ARG A 69 8.079 -1.833 -6.372 1.00 0.00 O ATOM 994 CB ARG A 69 10.861 -0.904 -6.178 1.00 0.00 C ATOM 995 CG ARG A 69 11.969 0.148 -6.079 1.00 0.00 C ATOM 996 CD ARG A 69 12.985 -0.227 -4.997 1.00 0.00 C ATOM 997 NE ARG A 69 14.293 -0.536 -5.617 1.00 0.00 N ATOM 998 CZ ARG A 69 15.355 -0.994 -4.942 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.271 -1.205 -3.622 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.502 -1.246 -5.588 1.00 0.00 N ATOM 0 H ARG A 69 8.430 0.769 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 69 10.439 -0.571 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.318 -0.956 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.301 -1.887 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.474 0.241 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.533 1.121 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.094 0.594 -4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.627 -1.089 -4.434 1.00 0.00 H new ATOM 0 HE ARG A 69 14.392 -0.391 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.398 -1.017 -3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.080 -1.554 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.566 -1.089 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.311 -1.595 -5.074 1.00 0.00 H new ATOM 1014 N SER A 70 8.674 -2.272 -8.508 1.00 0.00 N ATOM 1015 CA SER A 70 7.666 -3.304 -8.694 1.00 0.00 C ATOM 1016 C SER A 70 8.123 -4.606 -8.032 1.00 0.00 C ATOM 1017 O SER A 70 8.516 -5.549 -8.717 1.00 0.00 O ATOM 1018 CB SER A 70 7.380 -3.534 -10.179 1.00 0.00 C ATOM 1019 OG SER A 70 8.570 -3.814 -10.913 1.00 0.00 O ATOM 0 H SER A 70 9.264 -2.100 -9.322 1.00 0.00 H new ATOM 0 HA SER A 70 6.742 -2.969 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.682 -4.363 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.895 -2.651 -10.596 1.00 0.00 H new ATOM 0 HG SER A 70 9.058 -4.544 -10.479 1.00 0.00 H new ATOM 1025 N LEU A 71 8.058 -4.615 -6.709 1.00 0.00 N ATOM 1026 CA LEU A 71 8.460 -5.787 -5.949 1.00 0.00 C ATOM 1027 C LEU A 71 7.710 -7.012 -6.470 1.00 0.00 C ATOM 1028 O LEU A 71 8.322 -8.031 -6.785 1.00 0.00 O ATOM 1029 CB LEU A 71 8.272 -5.541 -4.450 1.00 0.00 C ATOM 1030 CG LEU A 71 7.879 -4.119 -4.046 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.302 -4.090 -2.630 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.061 -3.159 -4.203 1.00 0.00 C ATOM 0 H LEU A 71 7.733 -3.830 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 71 9.523 -5.984 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.507 -6.226 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.201 -5.798 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 71 7.093 -3.777 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.031 -3.067 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.416 -4.723 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.047 -4.459 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.756 -2.155 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.884 -3.488 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.386 -3.150 -5.243 1.00 0.00 H new ATOM 1044 N VAL A 72 6.393 -6.872 -6.549 1.00 0.00 N ATOM 1045 CA VAL A 72 5.554 -7.955 -7.028 1.00 0.00 C ATOM 1046 C VAL A 72 5.342 -8.968 -5.901 1.00 0.00 C ATOM 1047 O VAL A 72 4.583 -9.924 -6.054 1.00 0.00 O ATOM 1048 CB VAL A 72 6.168 -8.578 -8.283 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.959 -7.538 -9.079 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.044 -9.781 -7.927 1.00 0.00 C ATOM 0 H VAL A 72 5.889 -6.024 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 72 4.573 -7.578 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 72 5.353 -8.934 -8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.385 -8.006 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.295 -6.728 -9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.761 -7.138 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.468 -10.205 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.850 -9.461 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.439 -10.535 -7.423 1.00 0.00 H new ATOM 1060 N GLY A 73 6.025 -8.724 -4.792 1.00 0.00 N ATOM 1061 CA GLY A 73 5.922 -9.602 -3.639 1.00 0.00 C ATOM 1062 C GLY A 73 7.233 -9.629 -2.850 1.00 0.00 C ATOM 1063 O GLY A 73 7.787 -10.697 -2.596 1.00 0.00 O ATOM 0 H GLY A 73 6.653 -7.930 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.111 -9.265 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.670 -10.611 -3.967 1.00 0.00 H new ATOM 1067 N LEU A 74 7.691 -8.440 -2.485 1.00 0.00 N ATOM 1068 CA LEU A 74 8.927 -8.313 -1.731 1.00 0.00 C ATOM 1069 C LEU A 74 8.639 -7.604 -0.407 1.00 0.00 C ATOM 1070 O LEU A 74 7.526 -7.132 -0.179 1.00 0.00 O ATOM 1071 CB LEU A 74 10.002 -7.627 -2.576 1.00 0.00 C ATOM 1072 CG LEU A 74 10.038 -8.009 -4.058 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.116 -7.221 -4.800 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.210 -9.519 -4.229 1.00 0.00 C ATOM 0 H LEU A 74 7.228 -7.556 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 74 9.328 -9.297 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.860 -6.549 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.976 -7.851 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 74 9.080 -7.741 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.121 -7.511 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.907 -6.154 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.090 -7.435 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.233 -9.765 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.144 -9.834 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.376 -10.036 -3.755 1.00 0.00 H new ATOM 1086 N SER A 75 9.662 -7.552 0.434 1.00 0.00 N ATOM 1087 CA SER A 75 9.532 -6.908 1.730 1.00 0.00 C ATOM 1088 C SER A 75 9.452 -5.389 1.555 1.00 0.00 C ATOM 1089 O SER A 75 9.912 -4.853 0.548 1.00 0.00 O ATOM 1090 CB SER A 75 10.701 -7.274 2.646 1.00 0.00 C ATOM 1091 OG SER A 75 11.962 -6.985 2.046 1.00 0.00 O ATOM 0 H SER A 75 10.584 -7.945 0.243 1.00 0.00 H new ATOM 0 HA SER A 75 8.613 -7.263 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.612 -6.726 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.651 -8.335 2.891 1.00 0.00 H new ATOM 0 HG SER A 75 12.682 -7.231 2.663 1.00 0.00 H new ATOM 1097 N GLN A 76 8.863 -4.742 2.550 1.00 0.00 N ATOM 1098 CA GLN A 76 8.716 -3.297 2.518 1.00 0.00 C ATOM 1099 C GLN A 76 10.005 -2.621 2.991 1.00 0.00 C ATOM 1100 O GLN A 76 10.187 -1.421 2.798 1.00 0.00 O ATOM 1101 CB GLN A 76 7.521 -2.849 3.361 1.00 0.00 C ATOM 1102 CG GLN A 76 7.944 -2.562 4.803 1.00 0.00 C ATOM 1103 CD GLN A 76 6.805 -1.910 5.590 1.00 0.00 C ATOM 1104 OE1 GLN A 76 6.794 -0.716 5.843 1.00 0.00 O ATOM 1105 NE2 GLN A 76 5.850 -2.758 5.961 1.00 0.00 N ATOM 0 H GLN A 76 8.482 -5.192 3.383 1.00 0.00 H new ATOM 0 HA GLN A 76 8.527 -2.994 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.078 -1.955 2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.753 -3.623 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.242 -3.491 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.815 -1.907 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.922 -3.746 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.046 -2.421 6.490 1.00 0.00 H new ATOM 1114 N GLU A 77 10.865 -3.423 3.601 1.00 0.00 N ATOM 1115 CA GLU A 77 12.132 -2.917 4.103 1.00 0.00 C ATOM 1116 C GLU A 77 12.713 -1.886 3.134 1.00 0.00 C ATOM 1117 O GLU A 77 12.966 -0.743 3.516 1.00 0.00 O ATOM 1118 CB GLU A 77 13.121 -4.059 4.345 1.00 0.00 C ATOM 1119 CG GLU A 77 12.545 -5.083 5.328 1.00 0.00 C ATOM 1120 CD GLU A 77 13.656 -5.943 5.936 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.635 -5.341 6.429 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.501 -7.182 5.892 1.00 0.00 O ATOM 0 H GLU A 77 10.710 -4.419 3.759 1.00 0.00 H new ATOM 0 HA GLU A 77 11.952 -2.427 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.356 -4.549 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.056 -3.659 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.004 -4.567 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.826 -5.721 4.815 1.00 0.00 H new ATOM 1129 N ARG A 78 12.908 -2.325 1.899 1.00 0.00 N ATOM 1130 CA ARG A 78 13.456 -1.454 0.873 1.00 0.00 C ATOM 1131 C ARG A 78 12.345 -0.610 0.246 1.00 0.00 C ATOM 1132 O ARG A 78 12.417 0.618 0.248 1.00 0.00 O ATOM 1133 CB ARG A 78 14.151 -2.264 -0.223 1.00 0.00 C ATOM 1134 CG ARG A 78 14.687 -3.586 0.328 1.00 0.00 C ATOM 1135 CD ARG A 78 13.781 -4.754 -0.067 1.00 0.00 C ATOM 1136 NE ARG A 78 14.598 -5.882 -0.566 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.315 -6.695 0.222 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.322 -6.510 1.549 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.027 -7.695 -0.318 1.00 0.00 N ATOM 0 H ARG A 78 12.696 -3.272 1.586 1.00 0.00 H new ATOM 0 HA ARG A 78 14.189 -0.802 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.450 -2.462 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.971 -1.683 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.695 -3.759 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.759 -3.529 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.191 -5.074 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.078 -4.435 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 78 14.617 -6.051 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.781 -5.750 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.868 -7.130 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.023 -7.837 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.573 -8.314 0.281 1.00 0.00 H new ATOM 1153 N ALA A 79 11.341 -1.300 -0.275 1.00 0.00 N ATOM 1154 CA ALA A 79 10.218 -0.631 -0.903 1.00 0.00 C ATOM 1155 C ALA A 79 9.724 0.494 0.010 1.00 0.00 C ATOM 1156 O ALA A 79 9.887 1.672 -0.306 1.00 0.00 O ATOM 1157 CB ALA A 79 9.122 -1.652 -1.215 1.00 0.00 C ATOM 0 H ALA A 79 11.283 -2.318 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 79 10.521 -0.180 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.279 -1.148 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.514 -2.412 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.791 -2.124 -0.290 1.00 0.00 H new ATOM 1163 N ALA A 80 9.132 0.092 1.125 1.00 0.00 N ATOM 1164 CA ALA A 80 8.615 1.050 2.085 1.00 0.00 C ATOM 1165 C ALA A 80 9.409 2.354 1.977 1.00 0.00 C ATOM 1166 O ALA A 80 8.853 3.396 1.632 1.00 0.00 O ATOM 1167 CB ALA A 80 8.674 0.446 3.491 1.00 0.00 C ATOM 0 H ALA A 80 8.999 -0.885 1.384 1.00 0.00 H new ATOM 0 HA ALA A 80 7.571 1.281 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.286 1.165 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.071 -0.461 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.707 0.204 3.740 1.00 0.00 H new ATOM 1173 N GLU A 81 10.695 2.254 2.279 1.00 0.00 N ATOM 1174 CA GLU A 81 11.570 3.411 2.220 1.00 0.00 C ATOM 1175 C GLU A 81 11.282 4.230 0.959 1.00 0.00 C ATOM 1176 O GLU A 81 10.777 5.349 1.043 1.00 0.00 O ATOM 1177 CB GLU A 81 13.040 2.990 2.277 1.00 0.00 C ATOM 1178 CG GLU A 81 13.944 4.192 2.562 1.00 0.00 C ATOM 1179 CD GLU A 81 15.116 4.241 1.581 1.00 0.00 C ATOM 1180 OE1 GLU A 81 14.851 4.071 0.371 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.252 4.450 2.062 1.00 0.00 O ATOM 0 H GLU A 81 11.152 1.388 2.566 1.00 0.00 H new ATOM 0 HA GLU A 81 11.372 4.037 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.176 2.236 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.327 2.530 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.365 5.113 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.322 4.134 3.583 1.00 0.00 H new ATOM 1188 N LEU A 82 11.618 3.642 -0.180 1.00 0.00 N ATOM 1189 CA LEU A 82 11.401 4.304 -1.455 1.00 0.00 C ATOM 1190 C LEU A 82 9.906 4.569 -1.639 1.00 0.00 C ATOM 1191 O LEU A 82 9.511 5.314 -2.536 1.00 0.00 O ATOM 1192 CB LEU A 82 12.026 3.491 -2.592 1.00 0.00 C ATOM 1193 CG LEU A 82 12.300 4.254 -3.889 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.997 4.745 -4.522 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.288 5.398 -3.654 1.00 0.00 C ATOM 0 H LEU A 82 12.039 2.715 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 82 11.901 5.272 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.966 3.069 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.366 2.654 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 82 12.764 3.567 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.220 5.284 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.358 3.891 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.483 5.410 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.465 5.924 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.874 6.091 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.229 4.995 -3.281 1.00 0.00 H new ATOM 1207 N MET A 83 9.116 3.947 -0.777 1.00 0.00 N ATOM 1208 CA MET A 83 7.673 4.108 -0.834 1.00 0.00 C ATOM 1209 C MET A 83 7.203 5.186 0.145 1.00 0.00 C ATOM 1210 O MET A 83 6.079 5.675 0.042 1.00 0.00 O ATOM 1211 CB MET A 83 6.997 2.780 -0.492 1.00 0.00 C ATOM 1212 CG MET A 83 5.882 2.459 -1.491 1.00 0.00 C ATOM 1213 SD MET A 83 4.406 1.963 -0.617 1.00 0.00 S ATOM 1214 CE MET A 83 5.136 1.048 0.730 1.00 0.00 C ATOM 0 H MET A 83 9.448 3.331 -0.035 1.00 0.00 H new ATOM 0 HA MET A 83 7.400 4.415 -1.844 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.737 1.979 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.585 2.827 0.516 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.673 3.332 -2.109 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.202 1.663 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.638 0.083 0.827 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.196 0.891 0.531 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.021 1.610 1.657 1.00 0.00 H new ATOM 1224 N THR A 84 8.086 5.524 1.073 1.00 0.00 N ATOM 1225 CA THR A 84 7.775 6.534 2.070 1.00 0.00 C ATOM 1226 C THR A 84 7.925 7.935 1.474 1.00 0.00 C ATOM 1227 O THR A 84 6.979 8.721 1.480 1.00 0.00 O ATOM 1228 CB THR A 84 8.673 6.292 3.285 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.491 4.910 3.581 1.00 0.00 O ATOM 1230 CG2 THR A 84 8.170 7.012 4.538 1.00 0.00 C ATOM 0 H THR A 84 9.017 5.116 1.155 1.00 0.00 H new ATOM 0 HA THR A 84 6.737 6.462 2.395 1.00 0.00 H new ATOM 0 HB THR A 84 9.687 6.623 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.994 4.369 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.843 6.807 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.139 8.086 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.169 6.657 4.785 1.00 0.00 H new ATOM 1238 N ARG A 85 9.122 8.205 0.972 1.00 0.00 N ATOM 1239 CA ARG A 85 9.407 9.497 0.373 1.00 0.00 C ATOM 1240 C ARG A 85 8.592 9.682 -0.909 1.00 0.00 C ATOM 1241 O ARG A 85 9.156 9.831 -1.990 1.00 0.00 O ATOM 1242 CB ARG A 85 10.895 9.637 0.046 1.00 0.00 C ATOM 1243 CG ARG A 85 11.367 11.080 0.236 1.00 0.00 C ATOM 1244 CD ARG A 85 12.821 11.246 -0.210 1.00 0.00 C ATOM 1245 NE ARG A 85 13.206 12.674 -0.161 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.428 13.133 -0.463 1.00 0.00 C ATOM 1247 NH1 ARG A 85 15.391 12.281 -0.840 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.686 14.445 -0.391 1.00 0.00 N ATOM 0 H ARG A 85 9.905 7.551 0.968 1.00 0.00 H new ATOM 0 HA ARG A 85 9.131 10.264 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.475 8.974 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.076 9.324 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.729 11.753 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.270 11.363 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.477 10.662 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.945 10.862 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 85 12.497 13.351 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.194 11.282 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.321 12.632 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.952 15.094 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.616 14.795 -0.621 1.00 0.00 H new ATOM 1262 N THR A 86 7.277 9.661 -0.743 1.00 0.00 N ATOM 1263 CA THR A 86 6.380 9.823 -1.874 1.00 0.00 C ATOM 1264 C THR A 86 6.171 11.308 -2.182 1.00 0.00 C ATOM 1265 O THR A 86 6.409 11.752 -3.303 1.00 0.00 O ATOM 1266 CB THR A 86 5.080 9.082 -1.555 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.131 7.923 -2.383 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.840 9.835 -2.043 1.00 0.00 C ATOM 0 H THR A 86 6.812 9.534 0.156 1.00 0.00 H new ATOM 0 HA THR A 86 6.805 9.392 -2.780 1.00 0.00 H new ATOM 0 HB THR A 86 5.007 8.924 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.719 8.122 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.946 9.265 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.795 10.812 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.895 9.965 -3.124 1.00 0.00 H new ATOM 1276 N SER A 87 5.729 12.034 -1.165 1.00 0.00 N ATOM 1277 CA SER A 87 5.487 13.459 -1.313 1.00 0.00 C ATOM 1278 C SER A 87 4.312 13.695 -2.263 1.00 0.00 C ATOM 1279 O SER A 87 3.301 14.277 -1.873 1.00 0.00 O ATOM 1280 CB SER A 87 6.736 14.179 -1.825 1.00 0.00 C ATOM 1281 OG SER A 87 7.865 13.953 -0.985 1.00 0.00 O ATOM 0 H SER A 87 5.532 11.662 -0.236 1.00 0.00 H new ATOM 0 HA SER A 87 5.241 13.867 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.962 13.838 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.538 15.249 -1.886 1.00 0.00 H new ATOM 0 HG SER A 87 8.642 14.428 -1.347 1.00 0.00 H new ATOM 1287 N SER A 88 4.483 13.228 -3.492 1.00 0.00 N ATOM 1288 CA SER A 88 3.450 13.381 -4.501 1.00 0.00 C ATOM 1289 C SER A 88 2.353 12.335 -4.288 1.00 0.00 C ATOM 1290 O SER A 88 1.397 12.573 -3.552 1.00 0.00 O ATOM 1291 CB SER A 88 4.033 13.259 -5.910 1.00 0.00 C ATOM 1292 OG SER A 88 4.635 14.474 -6.344 1.00 0.00 O ATOM 0 H SER A 88 5.322 12.744 -3.811 1.00 0.00 H new ATOM 0 HA SER A 88 3.019 14.377 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.774 12.460 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.243 12.977 -6.606 1.00 0.00 H new ATOM 0 HG SER A 88 4.997 14.355 -7.247 1.00 0.00 H new ATOM 1298 N VAL A 89 2.527 11.199 -4.947 1.00 0.00 N ATOM 1299 CA VAL A 89 1.564 10.116 -4.839 1.00 0.00 C ATOM 1300 C VAL A 89 2.290 8.835 -4.421 1.00 0.00 C ATOM 1301 O VAL A 89 3.518 8.792 -4.397 1.00 0.00 O ATOM 1302 CB VAL A 89 0.795 9.966 -6.154 1.00 0.00 C ATOM 1303 CG1 VAL A 89 0.623 11.320 -6.845 1.00 0.00 C ATOM 1304 CG2 VAL A 89 1.484 8.960 -7.079 1.00 0.00 C ATOM 0 H VAL A 89 3.321 11.005 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 89 0.824 10.337 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.198 9.581 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.074 11.186 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.070 11.994 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.603 11.746 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.918 8.872 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.494 9.303 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.531 7.988 -6.589 1.00 0.00 H new ATOM 1314 N VAL A 90 1.496 7.822 -4.101 1.00 0.00 N ATOM 1315 CA VAL A 90 2.048 6.544 -3.686 1.00 0.00 C ATOM 1316 C VAL A 90 1.401 5.423 -4.505 1.00 0.00 C ATOM 1317 O VAL A 90 0.248 5.067 -4.273 1.00 0.00 O ATOM 1318 CB VAL A 90 1.866 6.360 -2.178 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.208 6.449 -1.451 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.871 7.379 -1.618 1.00 0.00 C ATOM 0 H VAL A 90 0.477 7.861 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 90 3.120 6.512 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 90 1.457 5.364 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.052 6.315 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.874 5.670 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.656 7.426 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.760 7.227 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.239 8.388 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.095 7.249 -2.105 1.00 0.00 H new ATOM 1330 N THR A 91 2.173 4.901 -5.447 1.00 0.00 N ATOM 1331 CA THR A 91 1.690 3.830 -6.302 1.00 0.00 C ATOM 1332 C THR A 91 2.171 2.475 -5.781 1.00 0.00 C ATOM 1333 O THR A 91 3.347 2.138 -5.908 1.00 0.00 O ATOM 1334 CB THR A 91 2.142 4.126 -7.732 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.419 4.739 -7.573 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.292 5.207 -8.404 1.00 0.00 C ATOM 0 H THR A 91 3.130 5.200 -5.637 1.00 0.00 H new ATOM 0 HA THR A 91 0.601 3.778 -6.295 1.00 0.00 H new ATOM 0 HB THR A 91 2.098 3.211 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.786 4.963 -8.454 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.656 5.378 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.252 4.881 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.362 6.132 -7.832 1.00 0.00 H new ATOM 1344 N LEU A 92 1.236 1.731 -5.205 1.00 0.00 N ATOM 1345 CA LEU A 92 1.551 0.421 -4.663 1.00 0.00 C ATOM 1346 C LEU A 92 0.510 -0.590 -5.152 1.00 0.00 C ATOM 1347 O LEU A 92 -0.632 -0.227 -5.425 1.00 0.00 O ATOM 1348 CB LEU A 92 1.676 0.485 -3.141 1.00 0.00 C ATOM 1349 CG LEU A 92 1.494 1.867 -2.511 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.313 1.759 -0.995 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.647 2.800 -2.884 1.00 0.00 C ATOM 0 H LEU A 92 0.261 2.012 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 92 2.522 0.083 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.939 -0.190 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.659 0.106 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 92 0.582 2.307 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.186 2.755 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.432 1.156 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.193 1.288 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.490 3.775 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.587 2.377 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.687 2.914 -3.967 1.00 0.00 H new ATOM 1363 N GLU A 93 0.946 -1.838 -5.248 1.00 0.00 N ATOM 1364 CA GLU A 93 0.066 -2.904 -5.699 1.00 0.00 C ATOM 1365 C GLU A 93 -0.489 -3.678 -4.501 1.00 0.00 C ATOM 1366 O GLU A 93 0.265 -4.301 -3.758 1.00 0.00 O ATOM 1367 CB GLU A 93 0.792 -3.840 -6.668 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.204 -4.599 -7.545 1.00 0.00 C ATOM 1369 CD GLU A 93 0.305 -6.007 -7.862 1.00 0.00 C ATOM 1370 OE1 GLU A 93 0.538 -6.757 -6.889 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.448 -6.301 -9.068 1.00 0.00 O ATOM 0 H GLU A 93 1.895 -2.135 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.770 -2.456 -6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.470 -3.263 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.402 -4.548 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.166 -4.662 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.369 -4.051 -8.473 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.803 -3.608 -4.350 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.469 -4.293 -3.256 1.00 0.00 C ATOM 1380 C VAL A 94 -3.469 -5.303 -3.823 1.00 0.00 C ATOM 1381 O VAL A 94 -3.796 -5.259 -5.009 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.117 -3.274 -2.316 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.056 -2.462 -1.573 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.074 -2.357 -3.080 1.00 0.00 C ATOM 0 H VAL A 94 -2.425 -3.087 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.746 -4.851 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.698 -3.823 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.543 -1.745 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.431 -3.133 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.436 -1.928 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.522 -1.642 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.524 -1.820 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.859 -2.955 -3.543 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.925 -6.190 -2.952 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.882 -7.209 -3.352 1.00 0.00 C ATOM 1396 C ALA A 95 -5.906 -7.409 -2.234 1.00 0.00 C ATOM 1397 O ALA A 95 -5.537 -7.602 -1.076 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.136 -8.499 -3.697 1.00 0.00 C ATOM 0 H ALA A 95 -3.650 -6.225 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.426 -6.897 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.852 -9.264 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.442 -8.310 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.582 -8.843 -2.824 1.00 0.00 H new