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 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.108 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= -0.277 K(o=-0.28,f=-2.8!) USER MOD Single : A 23 MET CE :methyl 149:sc= -3.14! (180deg=-4.64!) USER MOD Single : A 26 SER OG : rot 85:sc= 0.852 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 -102:sc= -0.159 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -3.93! C(o=-3.9!,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.878 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -1.07 USER MOD Single : A 76 GLN : amide:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : A 83 MET CE :methyl 145:sc= -3.76! (180deg=-6.26!) USER MOD Single : A 84 THR OG1 : rot 55:sc= 0.364! USER MOD Single : A 86 THR OG1 : rot 85:sc= -3.62! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 84:sc= 1.07 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -4.543 -5.441 -7.971 1.00 0.00 N ATOM 154 CA GLU A 11 -3.866 -4.742 -9.049 1.00 0.00 C ATOM 155 C GLU A 11 -3.010 -3.605 -8.487 1.00 0.00 C ATOM 156 O GLU A 11 -2.879 -3.462 -7.272 1.00 0.00 O ATOM 157 CB GLU A 11 -4.868 -4.217 -10.079 1.00 0.00 C ATOM 158 CG GLU A 11 -4.714 -4.947 -11.414 1.00 0.00 C ATOM 159 CD GLU A 11 -6.068 -5.108 -12.110 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.438 -4.178 -12.857 1.00 0.00 O ATOM 161 OE2 GLU A 11 -6.703 -6.160 -11.877 1.00 0.00 O ATOM 0 HA GLU A 11 -3.210 -5.448 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.883 -4.348 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.718 -3.147 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.033 -4.392 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.268 -5.927 -11.247 1.00 0.00 H new ATOM 168 N ILE A 12 -2.448 -2.823 -9.399 1.00 0.00 N ATOM 169 CA ILE A 12 -1.608 -1.703 -9.012 1.00 0.00 C ATOM 170 C ILE A 12 -2.494 -0.503 -8.664 1.00 0.00 C ATOM 171 O ILE A 12 -3.200 0.020 -9.524 1.00 0.00 O ATOM 172 CB ILE A 12 -0.572 -1.408 -10.097 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.512 -0.461 -9.578 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.241 -0.874 -11.364 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.834 -0.683 -10.317 1.00 0.00 C ATOM 0 H ILE A 12 -2.559 -2.944 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.036 -1.948 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.081 -2.344 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.189 0.572 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.657 -0.620 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.481 -0.673 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.943 -1.615 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.776 0.047 -11.132 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.587 0.003 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.167 -1.710 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.691 -0.500 -11.382 1.00 0.00 H new ATOM 187 N ILE A 13 -2.426 -0.104 -7.403 1.00 0.00 N ATOM 188 CA ILE A 13 -3.212 1.023 -6.932 1.00 0.00 C ATOM 189 C ILE A 13 -2.316 2.261 -6.841 1.00 0.00 C ATOM 190 O ILE A 13 -1.147 2.158 -6.473 1.00 0.00 O ATOM 191 CB ILE A 13 -3.915 0.675 -5.618 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.160 -0.831 -5.512 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.208 1.479 -5.459 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.034 -1.330 -6.664 1.00 0.00 C ATOM 0 H ILE A 13 -1.839 -0.541 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.007 1.255 -7.640 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.259 0.954 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.206 -1.359 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.642 -1.058 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.688 1.213 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.977 2.544 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.881 1.253 -6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.191 -2.404 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.996 -0.818 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.538 -1.124 -7.613 1.00 0.00 H new ATOM 206 N THR A 14 -2.901 3.400 -7.181 1.00 0.00 N ATOM 207 CA THR A 14 -2.171 4.656 -7.142 1.00 0.00 C ATOM 208 C THR A 14 -2.910 5.675 -6.274 1.00 0.00 C ATOM 209 O THR A 14 -4.067 5.999 -6.538 1.00 0.00 O ATOM 210 CB THR A 14 -1.959 5.126 -8.583 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.577 6.491 -8.452 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.266 5.179 -9.379 1.00 0.00 C ATOM 0 H THR A 14 -3.872 3.480 -7.485 1.00 0.00 H new ATOM 0 HA THR A 14 -1.192 4.530 -6.679 1.00 0.00 H new ATOM 0 HB THR A 14 -1.256 4.459 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.418 6.873 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.060 5.518 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.712 4.185 -9.412 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.957 5.871 -8.898 1.00 0.00 H new ATOM 220 N VAL A 15 -2.212 6.155 -5.255 1.00 0.00 N ATOM 221 CA VAL A 15 -2.787 7.132 -4.346 1.00 0.00 C ATOM 222 C VAL A 15 -1.981 8.429 -4.422 1.00 0.00 C ATOM 223 O VAL A 15 -0.752 8.407 -4.342 1.00 0.00 O ATOM 224 CB VAL A 15 -2.858 6.552 -2.932 1.00 0.00 C ATOM 225 CG1 VAL A 15 -1.457 6.315 -2.365 1.00 0.00 C ATOM 226 CG2 VAL A 15 -3.676 7.457 -2.009 1.00 0.00 C ATOM 0 H VAL A 15 -1.252 5.885 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.810 7.369 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.363 5.588 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.537 5.903 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.920 5.614 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.915 7.260 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.711 7.022 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.211 8.442 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.690 7.553 -2.398 1.00 0.00 H new ATOM 236 N THR A 16 -2.703 9.529 -4.574 1.00 0.00 N ATOM 237 CA THR A 16 -2.068 10.834 -4.661 1.00 0.00 C ATOM 238 C THR A 16 -2.262 11.608 -3.355 1.00 0.00 C ATOM 239 O THR A 16 -3.164 11.305 -2.576 1.00 0.00 O ATOM 240 CB THR A 16 -2.637 11.555 -5.884 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.692 10.546 -6.888 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.670 12.595 -6.453 1.00 0.00 C ATOM 0 H THR A 16 -3.721 9.544 -4.639 1.00 0.00 H new ATOM 0 HA THR A 16 -0.990 10.742 -4.792 1.00 0.00 H new ATOM 0 HB THR A 16 -3.575 12.041 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.052 10.928 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.123 13.077 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.453 13.345 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.744 12.105 -6.753 1.00 0.00 H new ATOM 250 N LEU A 17 -1.398 12.594 -3.156 1.00 0.00 N ATOM 251 CA LEU A 17 -1.462 13.413 -1.958 1.00 0.00 C ATOM 252 C LEU A 17 -2.380 14.610 -2.212 1.00 0.00 C ATOM 253 O LEU A 17 -2.017 15.531 -2.942 1.00 0.00 O ATOM 254 CB LEU A 17 -0.055 13.803 -1.502 1.00 0.00 C ATOM 255 CG LEU A 17 0.697 12.758 -0.675 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.468 13.415 0.471 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.252 11.666 -0.176 1.00 0.00 C ATOM 0 H LEU A 17 -0.651 12.843 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.896 12.849 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.540 14.035 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.126 14.719 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 17 1.431 12.276 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.993 12.649 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.190 14.124 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.771 13.941 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.308 10.936 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.026 12.114 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.715 11.169 -1.028 1.00 0.00 H new ATOM 269 N LYS A 18 -3.551 14.557 -1.596 1.00 0.00 N ATOM 270 CA LYS A 18 -4.524 15.625 -1.747 1.00 0.00 C ATOM 271 C LYS A 18 -4.276 16.690 -0.677 1.00 0.00 C ATOM 272 O LYS A 18 -4.090 17.864 -0.996 1.00 0.00 O ATOM 273 CB LYS A 18 -5.946 15.060 -1.732 1.00 0.00 C ATOM 274 CG LYS A 18 -6.971 16.145 -2.071 1.00 0.00 C ATOM 275 CD LYS A 18 -7.344 16.101 -3.556 1.00 0.00 C ATOM 276 CE LYS A 18 -8.861 16.173 -3.742 1.00 0.00 C ATOM 277 NZ LYS A 18 -9.296 15.247 -4.811 1.00 0.00 N ATOM 0 H LYS A 18 -3.848 13.791 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.408 16.111 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.024 14.244 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.165 14.642 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.865 16.008 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.564 17.125 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.870 16.932 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.962 15.183 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.360 15.919 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.155 17.192 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.328 15.308 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.833 15.507 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.033 14.274 -4.556 1.00 0.00 H new ATOM 291 N LYS A 19 -4.281 16.243 0.570 1.00 0.00 N ATOM 292 CA LYS A 19 -4.058 17.145 1.689 1.00 0.00 C ATOM 293 C LYS A 19 -2.568 17.479 1.781 1.00 0.00 C ATOM 294 O LYS A 19 -2.154 18.256 2.638 1.00 0.00 O ATOM 295 CB LYS A 19 -4.636 16.553 2.976 1.00 0.00 C ATOM 296 CG LYS A 19 -4.658 17.594 4.098 1.00 0.00 C ATOM 297 CD LYS A 19 -6.025 17.638 4.780 1.00 0.00 C ATOM 298 CE LYS A 19 -7.001 18.517 3.995 1.00 0.00 C ATOM 299 NZ LYS A 19 -8.286 18.641 4.720 1.00 0.00 N ATOM 0 H LYS A 19 -4.436 15.269 0.831 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.586 18.085 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.647 16.191 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.041 15.693 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.889 17.357 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.419 18.577 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.426 16.628 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.917 18.023 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.567 19.505 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.173 18.087 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.937 19.241 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.707 17.698 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.119 19.072 5.652 1.00 0.00 H new ATOM 313 N GLN A 20 -1.802 16.873 0.885 1.00 0.00 N ATOM 314 CA GLN A 20 -0.367 17.095 0.853 1.00 0.00 C ATOM 315 C GLN A 20 0.250 16.772 2.216 1.00 0.00 C ATOM 316 O GLN A 20 1.200 17.426 2.642 1.00 0.00 O ATOM 317 CB GLN A 20 -0.044 18.530 0.433 1.00 0.00 C ATOM 318 CG GLN A 20 0.544 18.568 -0.980 1.00 0.00 C ATOM 319 CD GLN A 20 2.051 18.820 -0.941 1.00 0.00 C ATOM 320 OE1 GLN A 20 2.516 19.935 -0.763 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.787 17.727 -1.116 1.00 0.00 N ATOM 0 H GLN A 20 -2.149 16.228 0.175 1.00 0.00 H new ATOM 0 HA GLN A 20 0.068 16.426 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.949 19.136 0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.663 18.969 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.343 17.624 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.056 19.351 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.334 16.825 -1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.805 17.791 -1.106 1.00 0.00 H new ATOM 330 N ASN A 21 -0.314 15.760 2.859 1.00 0.00 N ATOM 331 CA ASN A 21 0.170 15.342 4.164 1.00 0.00 C ATOM 332 C ASN A 21 1.068 14.114 4.001 1.00 0.00 C ATOM 333 O ASN A 21 0.912 13.348 3.051 1.00 0.00 O ATOM 334 CB ASN A 21 -0.992 14.957 5.085 1.00 0.00 C ATOM 335 CG ASN A 21 -1.167 15.987 6.203 1.00 0.00 C ATOM 336 OD1 ASN A 21 -0.303 16.805 6.470 1.00 0.00 O ATOM 337 ND2 ASN A 21 -2.330 15.899 6.841 1.00 0.00 N ATOM 0 H ASN A 21 -1.100 15.218 2.501 1.00 0.00 H new ATOM 0 HA ASN A 21 0.719 16.175 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.912 14.884 4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.808 13.973 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.542 16.541 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.010 15.190 6.566 1.00 0.00 H new ATOM 344 N GLY A 22 1.988 13.965 4.943 1.00 0.00 N ATOM 345 CA GLY A 22 2.912 12.844 4.915 1.00 0.00 C ATOM 346 C GLY A 22 2.323 11.665 4.135 1.00 0.00 C ATOM 347 O GLY A 22 2.859 11.267 3.104 1.00 0.00 O ATOM 0 H GLY A 22 2.113 14.602 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.851 13.154 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.141 12.532 5.934 1.00 0.00 H new ATOM 351 N MET A 23 1.223 11.143 4.659 1.00 0.00 N ATOM 352 CA MET A 23 0.554 10.018 4.026 1.00 0.00 C ATOM 353 C MET A 23 -0.428 9.351 4.991 1.00 0.00 C ATOM 354 O MET A 23 -1.583 9.113 4.640 1.00 0.00 O ATOM 355 CB MET A 23 1.596 8.995 3.570 1.00 0.00 C ATOM 356 CG MET A 23 1.562 8.819 2.050 1.00 0.00 C ATOM 357 SD MET A 23 3.164 9.197 1.357 1.00 0.00 S ATOM 358 CE MET A 23 3.893 7.568 1.356 1.00 0.00 C ATOM 0 H MET A 23 0.779 11.478 5.514 1.00 0.00 H new ATOM 0 HA MET A 23 -0.005 10.388 3.167 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.589 9.319 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.407 8.037 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.280 7.796 1.800 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.805 9.473 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.590 7.482 0.522 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.426 7.407 2.293 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.109 6.818 1.252 1.00 0.00 H new ATOM 368 N GLY A 24 0.067 9.069 6.188 1.00 0.00 N ATOM 369 CA GLY A 24 -0.755 8.434 7.205 1.00 0.00 C ATOM 370 C GLY A 24 -1.241 7.061 6.739 1.00 0.00 C ATOM 371 O GLY A 24 -2.444 6.838 6.602 1.00 0.00 O ATOM 0 H GLY A 24 1.025 9.268 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.182 8.327 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.611 9.068 7.434 1.00 0.00 H new ATOM 375 N LEU A 25 -0.284 6.177 6.506 1.00 0.00 N ATOM 376 CA LEU A 25 -0.599 4.830 6.057 1.00 0.00 C ATOM 377 C LEU A 25 0.060 3.818 6.995 1.00 0.00 C ATOM 378 O LEU A 25 0.936 4.173 7.782 1.00 0.00 O ATOM 379 CB LEU A 25 -0.214 4.652 4.588 1.00 0.00 C ATOM 380 CG LEU A 25 -1.294 5.001 3.564 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.110 4.195 2.276 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.693 4.819 4.157 1.00 0.00 C ATOM 0 H LEU A 25 0.712 6.366 6.619 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.674 4.653 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.663 5.268 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.083 3.614 4.434 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.189 6.054 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.891 4.462 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.134 4.417 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.173 3.130 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.442 5.074 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.826 3.782 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.809 5.471 5.022 1.00 0.00 H new ATOM 394 N SER A 26 -0.386 2.575 6.880 1.00 0.00 N ATOM 395 CA SER A 26 0.149 1.508 7.707 1.00 0.00 C ATOM 396 C SER A 26 0.195 0.201 6.911 1.00 0.00 C ATOM 397 O SER A 26 -0.845 -0.336 6.534 1.00 0.00 O ATOM 398 CB SER A 26 -0.681 1.326 8.979 1.00 0.00 C ATOM 399 OG SER A 26 -1.053 2.576 9.557 1.00 0.00 O ATOM 0 H SER A 26 -1.112 2.284 6.226 1.00 0.00 H new ATOM 0 HA SER A 26 1.162 1.781 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.578 0.752 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.110 0.746 9.705 1.00 0.00 H new ATOM 0 HG SER A 26 -1.866 2.908 9.123 1.00 0.00 H new ATOM 405 N ILE A 27 1.410 -0.272 6.680 1.00 0.00 N ATOM 406 CA ILE A 27 1.604 -1.505 5.936 1.00 0.00 C ATOM 407 C ILE A 27 2.586 -2.402 6.691 1.00 0.00 C ATOM 408 O ILE A 27 3.269 -1.947 7.610 1.00 0.00 O ATOM 409 CB ILE A 27 2.027 -1.202 4.498 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.552 -1.150 4.376 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.369 0.082 3.991 1.00 0.00 C ATOM 412 CD1 ILE A 27 4.109 -2.494 3.897 1.00 0.00 C ATOM 0 H ILE A 27 2.271 0.176 6.995 1.00 0.00 H new ATOM 0 HA ILE A 27 0.666 -2.055 5.858 1.00 0.00 H new ATOM 0 HB ILE A 27 1.679 -2.015 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.838 -0.364 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.989 -0.894 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.687 0.274 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.285 -0.029 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.665 0.918 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.194 -2.431 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.842 -3.274 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.688 -2.735 2.921 1.00 0.00 H new ATOM 424 N VAL A 28 2.629 -3.660 6.279 1.00 0.00 N ATOM 425 CA VAL A 28 3.517 -4.625 6.905 1.00 0.00 C ATOM 426 C VAL A 28 3.876 -5.714 5.891 1.00 0.00 C ATOM 427 O VAL A 28 3.023 -6.157 5.124 1.00 0.00 O ATOM 428 CB VAL A 28 2.873 -5.181 8.175 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.422 -5.591 7.921 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.683 -6.351 8.733 1.00 0.00 C ATOM 0 H VAL A 28 2.062 -4.034 5.518 1.00 0.00 H new ATOM 0 HA VAL A 28 4.447 -4.146 7.211 1.00 0.00 H new ATOM 0 HB VAL A 28 2.870 -4.388 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.988 -5.983 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.851 -4.723 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.391 -6.360 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.203 -6.728 9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.733 -7.147 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.692 -6.014 8.972 1.00 0.00 H new ATOM 440 N ALA A 29 5.140 -6.111 5.921 1.00 0.00 N ATOM 441 CA ALA A 29 5.622 -7.139 5.015 1.00 0.00 C ATOM 442 C ALA A 29 6.276 -8.262 5.824 1.00 0.00 C ATOM 443 O ALA A 29 6.938 -8.003 6.828 1.00 0.00 O ATOM 444 CB ALA A 29 6.584 -6.516 4.000 1.00 0.00 C ATOM 0 H ALA A 29 5.844 -5.739 6.558 1.00 0.00 H new ATOM 0 HA ALA A 29 4.794 -7.575 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.946 -7.288 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.064 -5.746 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.429 -6.070 4.525 1.00 0.00 H new ATOM 450 N ALA A 30 6.067 -9.483 5.358 1.00 0.00 N ATOM 451 CA ALA A 30 6.629 -10.645 6.026 1.00 0.00 C ATOM 452 C ALA A 30 7.465 -11.446 5.028 1.00 0.00 C ATOM 453 O ALA A 30 7.429 -11.182 3.828 1.00 0.00 O ATOM 454 CB ALA A 30 5.499 -11.475 6.639 1.00 0.00 C ATOM 0 H ALA A 30 5.516 -9.694 4.526 1.00 0.00 H new ATOM 0 HA ALA A 30 7.289 -10.340 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.919 -12.347 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.953 -10.869 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.819 -11.801 5.852 1.00 0.00 H new ATOM 576 N GLY A 39 5.277 -11.605 1.735 1.00 0.00 N ATOM 577 CA GLY A 39 3.915 -11.134 1.551 1.00 0.00 C ATOM 578 C GLY A 39 3.682 -9.818 2.297 1.00 0.00 C ATOM 579 O GLY A 39 3.913 -9.735 3.502 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.716 -10.994 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.214 -11.888 1.910 1.00 0.00 H new ATOM 583 N ILE A 40 3.229 -8.824 1.548 1.00 0.00 N ATOM 584 CA ILE A 40 2.963 -7.517 2.125 1.00 0.00 C ATOM 585 C ILE A 40 1.463 -7.377 2.392 1.00 0.00 C ATOM 586 O ILE A 40 0.655 -8.101 1.811 1.00 0.00 O ATOM 587 CB ILE A 40 3.534 -6.413 1.232 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.733 -6.921 0.430 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.878 -5.168 2.051 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.202 -5.872 -0.581 1.00 0.00 C ATOM 0 H ILE A 40 3.040 -8.897 0.548 1.00 0.00 H new ATOM 0 HA ILE A 40 3.468 -7.414 3.085 1.00 0.00 H new ATOM 0 HB ILE A 40 2.766 -6.124 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.550 -7.168 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.463 -7.839 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.282 -4.399 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.978 -4.793 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.620 -5.424 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.055 -6.259 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.391 -5.645 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.494 -4.964 -0.054 1.00 0.00 H new ATOM 602 N TYR A 41 1.136 -6.440 3.269 1.00 0.00 N ATOM 603 CA TYR A 41 -0.254 -6.196 3.622 1.00 0.00 C ATOM 604 C TYR A 41 -0.432 -4.795 4.208 1.00 0.00 C ATOM 605 O TYR A 41 0.498 -4.235 4.786 1.00 0.00 O ATOM 606 CB TYR A 41 -0.605 -7.231 4.691 1.00 0.00 C ATOM 607 CG TYR A 41 -0.362 -8.679 4.261 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.198 -9.277 3.341 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.698 -9.388 4.794 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.968 -10.639 2.935 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.928 -10.751 4.389 1.00 0.00 C ATOM 612 CZ TYR A 41 0.084 -11.309 3.479 1.00 0.00 C ATOM 613 OH TYR A 41 0.300 -12.595 3.096 1.00 0.00 O ATOM 0 H TYR A 41 1.809 -5.840 3.746 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.893 -6.271 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.019 -7.026 5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.654 -7.115 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.026 -8.723 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.353 -8.920 5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.615 -11.118 2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.752 -11.317 4.798 1.00 0.00 H new ATOM 0 HH TYR A 41 1.085 -12.948 3.564 1.00 0.00 H new ATOM 623 N VAL A 42 -1.635 -4.266 4.036 1.00 0.00 N ATOM 624 CA VAL A 42 -1.948 -2.940 4.539 1.00 0.00 C ATOM 625 C VAL A 42 -2.617 -3.064 5.912 1.00 0.00 C ATOM 626 O VAL A 42 -3.672 -3.685 6.036 1.00 0.00 O ATOM 627 CB VAL A 42 -2.804 -2.182 3.523 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.472 -0.965 4.168 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.976 -1.772 2.304 1.00 0.00 C ATOM 0 H VAL A 42 -2.404 -4.732 3.555 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.036 -2.358 4.673 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.591 -2.854 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.075 -0.444 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.111 -1.293 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.707 -0.291 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.609 -1.235 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.157 -1.126 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.571 -2.662 1.823 1.00 0.00 H new ATOM 639 N LYS A 43 -1.977 -2.465 6.903 1.00 0.00 N ATOM 640 CA LYS A 43 -2.497 -2.500 8.260 1.00 0.00 C ATOM 641 C LYS A 43 -3.710 -1.576 8.361 1.00 0.00 C ATOM 642 O LYS A 43 -4.737 -1.953 8.922 1.00 0.00 O ATOM 643 CB LYS A 43 -1.392 -2.175 9.265 1.00 0.00 C ATOM 644 CG LYS A 43 -1.954 -2.063 10.684 1.00 0.00 C ATOM 645 CD LYS A 43 -1.415 -0.820 11.393 1.00 0.00 C ATOM 646 CE LYS A 43 -2.003 -0.692 12.799 1.00 0.00 C ATOM 647 NZ LYS A 43 -1.408 0.461 13.509 1.00 0.00 N ATOM 0 H LYS A 43 -1.102 -1.952 6.795 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.839 -3.504 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.628 -2.951 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.907 -1.239 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.042 -2.020 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.690 -2.954 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.328 -0.874 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.658 0.069 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.084 -0.569 12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.818 -1.607 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.819 0.532 14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.379 0.329 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.607 1.334 12.980 1.00 0.00 H new ATOM 661 N SER A 44 -3.553 -0.382 7.808 1.00 0.00 N ATOM 662 CA SER A 44 -4.624 0.600 7.829 1.00 0.00 C ATOM 663 C SER A 44 -4.044 2.010 7.690 1.00 0.00 C ATOM 664 O SER A 44 -2.828 2.189 7.698 1.00 0.00 O ATOM 665 CB SER A 44 -5.448 0.490 9.116 1.00 0.00 C ATOM 666 OG SER A 44 -4.638 0.159 10.239 1.00 0.00 O ATOM 0 H SER A 44 -2.700 -0.072 7.343 1.00 0.00 H new ATOM 0 HA SER A 44 -5.287 0.401 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.958 1.435 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.220 -0.269 8.989 1.00 0.00 H new ATOM 0 HG SER A 44 -4.748 -0.791 10.453 1.00 0.00 H new ATOM 672 N VAL A 45 -4.945 2.974 7.560 1.00 0.00 N ATOM 673 CA VAL A 45 -4.538 4.361 7.416 1.00 0.00 C ATOM 674 C VAL A 45 -4.415 4.998 8.803 1.00 0.00 C ATOM 675 O VAL A 45 -5.289 4.822 9.650 1.00 0.00 O ATOM 676 CB VAL A 45 -5.517 5.102 6.504 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.685 4.372 5.170 1.00 0.00 C ATOM 678 CG2 VAL A 45 -6.869 5.298 7.195 1.00 0.00 C ATOM 0 H VAL A 45 -5.954 2.822 7.551 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.560 4.424 6.940 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.100 6.087 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.386 4.920 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.720 4.307 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.068 3.368 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.547 5.827 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.293 4.326 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.731 5.880 8.106 1.00 0.00 H new ATOM 688 N VAL A 46 -3.322 5.724 8.991 1.00 0.00 N ATOM 689 CA VAL A 46 -3.074 6.387 10.260 1.00 0.00 C ATOM 690 C VAL A 46 -4.286 7.245 10.629 1.00 0.00 C ATOM 691 O VAL A 46 -4.474 7.590 11.794 1.00 0.00 O ATOM 692 CB VAL A 46 -1.775 7.191 10.184 1.00 0.00 C ATOM 693 CG1 VAL A 46 -1.756 8.304 11.233 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.556 6.278 10.330 1.00 0.00 C ATOM 0 H VAL A 46 -2.599 5.867 8.286 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.942 5.653 11.055 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.728 7.658 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.821 8.860 11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.595 8.979 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.838 7.867 12.228 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.354 6.875 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.596 5.769 11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.557 5.539 9.529 1.00 0.00 H new ATOM 704 N LYS A 47 -5.078 7.561 9.615 1.00 0.00 N ATOM 705 CA LYS A 47 -6.266 8.370 9.818 1.00 0.00 C ATOM 706 C LYS A 47 -5.855 9.828 10.030 1.00 0.00 C ATOM 707 O LYS A 47 -6.522 10.566 10.753 1.00 0.00 O ATOM 708 CB LYS A 47 -7.115 7.799 10.954 1.00 0.00 C ATOM 709 CG LYS A 47 -8.503 8.445 10.980 1.00 0.00 C ATOM 710 CD LYS A 47 -9.575 7.459 10.508 1.00 0.00 C ATOM 711 CE LYS A 47 -10.978 8.021 10.746 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.005 7.078 10.250 1.00 0.00 N ATOM 0 H LYS A 47 -4.919 7.271 8.650 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.901 8.343 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.214 6.720 10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.614 7.967 11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.733 8.781 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.509 9.328 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.439 7.248 9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.463 6.513 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.127 8.204 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.082 8.981 10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.951 7.475 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.871 6.924 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.915 6.171 10.752 1.00 0.00 H new ATOM 726 N GLY A 48 -4.759 10.202 9.385 1.00 0.00 N ATOM 727 CA GLY A 48 -4.251 11.558 9.494 1.00 0.00 C ATOM 728 C GLY A 48 -3.234 11.854 8.390 1.00 0.00 C ATOM 729 O GLY A 48 -2.175 12.422 8.651 1.00 0.00 O ATOM 0 H GLY A 48 -4.209 9.588 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.078 12.266 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.785 11.698 10.469 1.00 0.00 H new ATOM 733 N GLY A 49 -3.594 11.455 7.178 1.00 0.00 N ATOM 734 CA GLY A 49 -2.727 11.670 6.032 1.00 0.00 C ATOM 735 C GLY A 49 -3.545 11.973 4.775 1.00 0.00 C ATOM 736 O GLY A 49 -4.745 11.705 4.731 1.00 0.00 O ATOM 0 H GLY A 49 -4.474 10.984 6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.047 12.497 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.112 10.786 5.866 1.00 0.00 H new ATOM 740 N ALA A 50 -2.864 12.527 3.784 1.00 0.00 N ATOM 741 CA ALA A 50 -3.513 12.868 2.528 1.00 0.00 C ATOM 742 C ALA A 50 -4.049 11.594 1.872 1.00 0.00 C ATOM 743 O ALA A 50 -5.196 11.555 1.433 1.00 0.00 O ATOM 744 CB ALA A 50 -2.524 13.615 1.630 1.00 0.00 C ATOM 0 H ALA A 50 -1.869 12.749 3.824 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.361 13.530 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.009 13.871 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.197 14.527 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.661 12.980 1.432 1.00 0.00 H new ATOM 750 N ALA A 51 -3.193 10.583 1.830 1.00 0.00 N ATOM 751 CA ALA A 51 -3.568 9.312 1.236 1.00 0.00 C ATOM 752 C ALA A 51 -4.497 8.561 2.191 1.00 0.00 C ATOM 753 O ALA A 51 -5.341 7.779 1.757 1.00 0.00 O ATOM 754 CB ALA A 51 -2.305 8.513 0.902 1.00 0.00 C ATOM 0 H ALA A 51 -2.242 10.619 2.197 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.111 9.469 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.585 7.559 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.693 9.077 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.736 8.334 1.814 1.00 0.00 H new ATOM 760 N ASP A 52 -4.311 8.825 3.476 1.00 0.00 N ATOM 761 CA ASP A 52 -5.122 8.185 4.497 1.00 0.00 C ATOM 762 C ASP A 52 -6.600 8.470 4.222 1.00 0.00 C ATOM 763 O ASP A 52 -7.414 7.550 4.170 1.00 0.00 O ATOM 764 CB ASP A 52 -4.788 8.727 5.888 1.00 0.00 C ATOM 765 CG ASP A 52 -5.981 9.275 6.673 1.00 0.00 C ATOM 766 OD1 ASP A 52 -6.987 8.539 6.764 1.00 0.00 O ATOM 767 OD2 ASP A 52 -5.860 10.419 7.161 1.00 0.00 O ATOM 0 H ASP A 52 -3.610 9.474 3.833 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.916 7.115 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.325 7.930 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.046 9.519 5.784 1.00 0.00 H new ATOM 772 N VAL A 53 -6.901 9.749 4.051 1.00 0.00 N ATOM 773 CA VAL A 53 -8.266 10.167 3.782 1.00 0.00 C ATOM 774 C VAL A 53 -8.568 9.979 2.294 1.00 0.00 C ATOM 775 O VAL A 53 -9.427 9.177 1.928 1.00 0.00 O ATOM 776 CB VAL A 53 -8.476 11.607 4.258 1.00 0.00 C ATOM 777 CG1 VAL A 53 -9.954 11.996 4.194 1.00 0.00 C ATOM 778 CG2 VAL A 53 -7.917 11.806 5.669 1.00 0.00 C ATOM 0 H VAL A 53 -6.223 10.510 4.094 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.971 9.549 4.338 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.927 12.265 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.075 13.023 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.308 11.913 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.534 11.329 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.079 12.837 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.424 11.133 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.849 11.590 5.671 1.00 0.00 H new ATOM 788 N ASP A 54 -7.846 10.731 1.477 1.00 0.00 N ATOM 789 CA ASP A 54 -8.029 10.657 0.036 1.00 0.00 C ATOM 790 C ASP A 54 -7.971 9.193 -0.405 1.00 0.00 C ATOM 791 O ASP A 54 -8.950 8.661 -0.926 1.00 0.00 O ATOM 792 CB ASP A 54 -6.920 11.415 -0.697 1.00 0.00 C ATOM 793 CG ASP A 54 -7.267 11.846 -2.122 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.479 11.895 -2.423 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.311 12.118 -2.881 1.00 0.00 O ATOM 0 H ASP A 54 -7.134 11.394 1.784 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.994 11.103 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.662 12.302 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.031 10.786 -0.730 1.00 0.00 H new ATOM 800 N GLY A 55 -6.816 8.584 -0.180 1.00 0.00 N ATOM 801 CA GLY A 55 -6.620 7.193 -0.549 1.00 0.00 C ATOM 802 C GLY A 55 -7.761 6.320 -0.024 1.00 0.00 C ATOM 803 O GLY A 55 -8.475 5.690 -0.803 1.00 0.00 O ATOM 0 H GLY A 55 -6.007 9.029 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.560 7.106 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.671 6.837 -0.148 1.00 0.00 H new ATOM 807 N ARG A 56 -7.898 6.310 1.294 1.00 0.00 N ATOM 808 CA ARG A 56 -8.941 5.526 1.931 1.00 0.00 C ATOM 809 C ARG A 56 -8.833 4.059 1.512 1.00 0.00 C ATOM 810 O ARG A 56 -9.839 3.424 1.196 1.00 0.00 O ATOM 811 CB ARG A 56 -10.330 6.052 1.565 1.00 0.00 C ATOM 812 CG ARG A 56 -11.421 5.307 2.336 1.00 0.00 C ATOM 813 CD ARG A 56 -12.655 6.191 2.534 1.00 0.00 C ATOM 814 NE ARG A 56 -12.901 6.398 3.979 1.00 0.00 N ATOM 815 CZ ARG A 56 -13.666 7.379 4.476 1.00 0.00 C ATOM 816 NH1 ARG A 56 -14.262 8.250 3.651 1.00 0.00 N ATOM 817 NH2 ARG A 56 -13.834 7.492 5.801 1.00 0.00 N ATOM 0 H ARG A 56 -7.304 6.833 1.938 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.806 5.611 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.388 7.118 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.495 5.938 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.700 4.403 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.035 4.992 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.508 7.152 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.525 5.725 2.071 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.461 5.754 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.134 8.167 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.844 8.996 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.379 6.831 6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.416 8.239 6.179 1.00 0.00 H new ATOM 831 N LEU A 57 -7.605 3.562 1.523 1.00 0.00 N ATOM 832 CA LEU A 57 -7.353 2.181 1.146 1.00 0.00 C ATOM 833 C LEU A 57 -7.901 1.253 2.232 1.00 0.00 C ATOM 834 O LEU A 57 -8.085 1.669 3.376 1.00 0.00 O ATOM 835 CB LEU A 57 -5.867 1.969 0.849 1.00 0.00 C ATOM 836 CG LEU A 57 -5.331 2.654 -0.410 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.816 2.853 -0.323 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.737 1.884 -1.668 1.00 0.00 C ATOM 0 H LEU A 57 -6.774 4.091 1.787 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.877 1.937 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.292 2.323 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.683 0.898 0.762 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.782 3.644 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.461 3.342 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.580 3.475 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.327 1.884 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.343 2.392 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.333 0.873 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.824 1.838 -1.731 1.00 0.00 H new ATOM 850 N ALA A 58 -8.147 0.012 1.838 1.00 0.00 N ATOM 851 CA ALA A 58 -8.670 -0.978 2.763 1.00 0.00 C ATOM 852 C ALA A 58 -7.555 -1.422 3.712 1.00 0.00 C ATOM 853 O ALA A 58 -6.375 -1.309 3.384 1.00 0.00 O ATOM 854 CB ALA A 58 -9.266 -2.147 1.977 1.00 0.00 C ATOM 0 H ALA A 58 -7.993 -0.330 0.890 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.469 -0.552 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.658 -2.890 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.073 -1.784 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.492 -2.602 1.358 1.00 0.00 H new ATOM 860 N ALA A 59 -7.969 -1.916 4.869 1.00 0.00 N ATOM 861 CA ALA A 59 -7.021 -2.377 5.868 1.00 0.00 C ATOM 862 C ALA A 59 -7.065 -3.905 5.939 1.00 0.00 C ATOM 863 O ALA A 59 -8.070 -4.482 6.350 1.00 0.00 O ATOM 864 CB ALA A 59 -7.337 -1.721 7.214 1.00 0.00 C ATOM 0 H ALA A 59 -8.949 -2.007 5.137 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.006 -2.088 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.625 -2.067 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.264 -0.638 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.347 -1.990 7.522 1.00 0.00 H new ATOM 870 N GLY A 60 -5.960 -4.516 5.535 1.00 0.00 N ATOM 871 CA GLY A 60 -5.860 -5.966 5.548 1.00 0.00 C ATOM 872 C GLY A 60 -5.686 -6.516 4.132 1.00 0.00 C ATOM 873 O GLY A 60 -5.878 -7.708 3.898 1.00 0.00 O ATOM 0 H GLY A 60 -5.127 -4.034 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.016 -6.270 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.756 -6.392 6.000 1.00 0.00 H new ATOM 877 N ASP A 61 -5.324 -5.621 3.225 1.00 0.00 N ATOM 878 CA ASP A 61 -5.123 -6.003 1.836 1.00 0.00 C ATOM 879 C ASP A 61 -3.742 -6.646 1.683 1.00 0.00 C ATOM 880 O ASP A 61 -2.942 -6.633 2.618 1.00 0.00 O ATOM 881 CB ASP A 61 -5.180 -4.782 0.915 1.00 0.00 C ATOM 882 CG ASP A 61 -3.939 -3.887 0.949 1.00 0.00 C ATOM 883 OD1 ASP A 61 -2.828 -4.452 0.839 1.00 0.00 O ATOM 884 OD2 ASP A 61 -4.127 -2.659 1.083 1.00 0.00 O ATOM 0 H ASP A 61 -5.165 -4.633 3.424 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.914 -6.700 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.334 -5.125 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.049 -4.182 1.185 1.00 0.00 H new ATOM 889 N GLN A 62 -3.505 -7.189 0.500 1.00 0.00 N ATOM 890 CA GLN A 62 -2.236 -7.836 0.213 1.00 0.00 C ATOM 891 C GLN A 62 -1.413 -6.984 -0.753 1.00 0.00 C ATOM 892 O GLN A 62 -1.756 -6.864 -1.930 1.00 0.00 O ATOM 893 CB GLN A 62 -2.450 -9.243 -0.345 1.00 0.00 C ATOM 894 CG GLN A 62 -1.117 -9.904 -0.698 1.00 0.00 C ATOM 895 CD GLN A 62 -1.293 -10.937 -1.812 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.930 -10.693 -2.824 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.695 -12.101 -1.572 1.00 0.00 N ATOM 0 H GLN A 62 -4.171 -7.195 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.682 -7.932 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.978 -9.852 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.081 -9.194 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.402 -9.143 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.701 -10.386 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.177 -12.239 -0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.754 -12.855 -2.256 1.00 0.00 H new ATOM 906 N LEU A 63 -0.341 -6.412 -0.223 1.00 0.00 N ATOM 907 CA LEU A 63 0.534 -5.574 -1.026 1.00 0.00 C ATOM 908 C LEU A 63 1.683 -6.422 -1.575 1.00 0.00 C ATOM 909 O LEU A 63 2.043 -7.440 -0.986 1.00 0.00 O ATOM 910 CB LEU A 63 0.996 -4.357 -0.221 1.00 0.00 C ATOM 911 CG LEU A 63 1.924 -3.383 -0.951 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.141 -2.190 -1.502 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.078 -2.944 -0.046 1.00 0.00 C ATOM 0 H LEU A 63 -0.059 -6.512 0.752 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.004 -5.173 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.114 -3.809 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.506 -4.711 0.675 1.00 0.00 H new ATOM 0 HG LEU A 63 2.363 -3.901 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.823 -1.513 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.384 -2.544 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.656 -1.662 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.723 -2.252 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.678 -2.449 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.656 -3.817 0.256 1.00 0.00 H new ATOM 925 N LEU A 64 2.229 -5.969 -2.695 1.00 0.00 N ATOM 926 CA LEU A 64 3.332 -6.674 -3.327 1.00 0.00 C ATOM 927 C LEU A 64 4.257 -5.660 -4.001 1.00 0.00 C ATOM 928 O LEU A 64 5.475 -5.832 -4.003 1.00 0.00 O ATOM 929 CB LEU A 64 2.803 -7.752 -4.277 1.00 0.00 C ATOM 930 CG LEU A 64 1.440 -8.349 -3.922 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.305 -7.421 -4.355 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.288 -9.754 -4.508 1.00 0.00 C ATOM 0 H LEU A 64 1.928 -5.124 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 64 3.926 -7.202 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.741 -7.327 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.532 -8.561 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 64 1.381 -8.444 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.653 -7.870 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.408 -6.461 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.350 -7.270 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.311 -10.156 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.377 -9.707 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.068 -10.402 -4.108 1.00 0.00 H new ATOM 944 N SER A 65 3.645 -4.625 -4.558 1.00 0.00 N ATOM 945 CA SER A 65 4.400 -3.584 -5.235 1.00 0.00 C ATOM 946 C SER A 65 4.387 -2.302 -4.400 1.00 0.00 C ATOM 947 O SER A 65 3.402 -2.009 -3.723 1.00 0.00 O ATOM 948 CB SER A 65 3.837 -3.315 -6.632 1.00 0.00 C ATOM 949 OG SER A 65 3.514 -4.519 -7.319 1.00 0.00 O ATOM 0 H SER A 65 2.635 -4.485 -4.554 1.00 0.00 H new ATOM 0 HA SER A 65 5.429 -3.926 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.945 -2.694 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.566 -2.750 -7.214 1.00 0.00 H new ATOM 0 HG SER A 65 3.156 -4.304 -8.206 1.00 0.00 H new ATOM 955 N VAL A 66 5.490 -1.573 -4.474 1.00 0.00 N ATOM 956 CA VAL A 66 5.617 -0.328 -3.735 1.00 0.00 C ATOM 957 C VAL A 66 5.856 0.821 -4.716 1.00 0.00 C ATOM 958 O VAL A 66 6.254 0.595 -5.858 1.00 0.00 O ATOM 959 CB VAL A 66 6.720 -0.456 -2.683 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.929 0.408 -3.047 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.193 -0.103 -1.290 1.00 0.00 C ATOM 0 H VAL A 66 6.305 -1.821 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 66 4.696 -0.107 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 66 7.046 -1.496 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.698 0.298 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.327 0.089 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.624 1.453 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.997 -0.202 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.827 0.924 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.379 -0.779 -1.027 1.00 0.00 H new ATOM 971 N ASP A 67 5.605 2.031 -4.233 1.00 0.00 N ATOM 972 CA ASP A 67 5.788 3.215 -5.055 1.00 0.00 C ATOM 973 C ASP A 67 7.283 3.447 -5.280 1.00 0.00 C ATOM 974 O ASP A 67 8.020 3.741 -4.340 1.00 0.00 O ATOM 975 CB ASP A 67 5.218 4.456 -4.365 1.00 0.00 C ATOM 976 CG ASP A 67 5.396 5.765 -5.137 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.440 6.415 -4.915 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.484 6.084 -5.931 1.00 0.00 O ATOM 0 H ASP A 67 5.277 2.215 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 67 5.268 3.054 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.154 4.298 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.692 4.560 -3.389 1.00 0.00 H new ATOM 983 N GLY A 68 7.689 3.305 -6.535 1.00 0.00 N ATOM 984 CA GLY A 68 9.082 3.496 -6.897 1.00 0.00 C ATOM 985 C GLY A 68 9.744 2.163 -7.255 1.00 0.00 C ATOM 986 O GLY A 68 10.815 2.139 -7.857 1.00 0.00 O ATOM 0 H GLY A 68 7.076 3.060 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.151 4.179 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.616 3.960 -6.068 1.00 0.00 H new ATOM 990 N ARG A 69 9.075 1.086 -6.869 1.00 0.00 N ATOM 991 CA ARG A 69 9.583 -0.248 -7.142 1.00 0.00 C ATOM 992 C ARG A 69 8.426 -1.236 -7.295 1.00 0.00 C ATOM 993 O ARG A 69 7.663 -1.457 -6.355 1.00 0.00 O ATOM 994 CB ARG A 69 10.507 -0.725 -6.019 1.00 0.00 C ATOM 995 CG ARG A 69 11.705 0.213 -5.858 1.00 0.00 C ATOM 996 CD ARG A 69 12.806 -0.442 -5.020 1.00 0.00 C ATOM 997 NE ARG A 69 13.902 -0.906 -5.901 1.00 0.00 N ATOM 998 CZ ARG A 69 15.121 -1.249 -5.463 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.408 -1.184 -4.157 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.054 -1.660 -6.334 1.00 0.00 N ATOM 0 H ARG A 69 8.186 1.110 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 69 10.151 -0.203 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.951 -0.775 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.857 -1.734 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.099 0.477 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.384 1.140 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.191 0.270 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.397 -1.283 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 69 13.718 -0.968 -6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.698 -0.873 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.336 -1.445 -3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.835 -1.711 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.982 -1.921 -6.002 1.00 0.00 H new ATOM 1014 N SER A 70 8.331 -1.806 -8.487 1.00 0.00 N ATOM 1015 CA SER A 70 7.278 -2.765 -8.776 1.00 0.00 C ATOM 1016 C SER A 70 7.605 -4.111 -8.125 1.00 0.00 C ATOM 1017 O SER A 70 7.649 -5.139 -8.801 1.00 0.00 O ATOM 1018 CB SER A 70 7.088 -2.937 -10.285 1.00 0.00 C ATOM 1019 OG SER A 70 6.522 -1.777 -10.887 1.00 0.00 O ATOM 0 H SER A 70 8.966 -1.622 -9.264 1.00 0.00 H new ATOM 0 HA SER A 70 6.345 -2.384 -8.361 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.050 -3.154 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.443 -3.795 -10.474 1.00 0.00 H new ATOM 0 HG SER A 70 6.418 -1.926 -11.850 1.00 0.00 H new ATOM 1025 N LEU A 71 7.826 -4.063 -6.820 1.00 0.00 N ATOM 1026 CA LEU A 71 8.146 -5.266 -6.071 1.00 0.00 C ATOM 1027 C LEU A 71 7.400 -6.455 -6.677 1.00 0.00 C ATOM 1028 O LEU A 71 8.019 -7.378 -7.204 1.00 0.00 O ATOM 1029 CB LEU A 71 7.867 -5.059 -4.580 1.00 0.00 C ATOM 1030 CG LEU A 71 8.970 -4.363 -3.780 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.049 -2.877 -4.134 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.782 -4.588 -2.279 1.00 0.00 C ATOM 0 H LEU A 71 7.790 -3.210 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 71 9.211 -5.488 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.951 -4.477 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.677 -6.032 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 71 9.926 -4.809 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.841 -2.406 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.266 -2.767 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.097 -2.398 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.579 -4.083 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.818 -4.185 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.815 -5.656 -2.064 1.00 0.00 H new ATOM 1044 N VAL A 72 6.079 -6.394 -6.584 1.00 0.00 N ATOM 1045 CA VAL A 72 5.241 -7.454 -7.116 1.00 0.00 C ATOM 1046 C VAL A 72 5.093 -8.558 -6.068 1.00 0.00 C ATOM 1047 O VAL A 72 4.267 -9.456 -6.219 1.00 0.00 O ATOM 1048 CB VAL A 72 5.816 -7.959 -8.440 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.609 -9.252 -8.235 1.00 0.00 C ATOM 1050 CG2 VAL A 72 4.710 -8.154 -9.480 1.00 0.00 C ATOM 0 H VAL A 72 5.569 -5.626 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 72 4.241 -7.078 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 72 6.502 -7.201 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.007 -9.590 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.432 -9.069 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.954 -10.019 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.146 -8.514 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.989 -8.884 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.206 -7.204 -9.658 1.00 0.00 H new ATOM 1060 N GLY A 73 5.909 -8.456 -5.027 1.00 0.00 N ATOM 1061 CA GLY A 73 5.881 -9.435 -3.954 1.00 0.00 C ATOM 1062 C GLY A 73 7.198 -9.437 -3.177 1.00 0.00 C ATOM 1063 O GLY A 73 7.801 -10.488 -2.972 1.00 0.00 O ATOM 0 H GLY A 73 6.593 -7.710 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.056 -9.214 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.697 -10.427 -4.367 1.00 0.00 H new ATOM 1067 N LEU A 74 7.607 -8.244 -2.768 1.00 0.00 N ATOM 1068 CA LEU A 74 8.844 -8.094 -2.019 1.00 0.00 C ATOM 1069 C LEU A 74 8.538 -7.458 -0.660 1.00 0.00 C ATOM 1070 O LEU A 74 7.412 -7.027 -0.413 1.00 0.00 O ATOM 1071 CB LEU A 74 9.879 -7.322 -2.840 1.00 0.00 C ATOM 1072 CG LEU A 74 10.766 -8.162 -3.761 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.846 -7.300 -4.418 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.360 -9.355 -3.011 1.00 0.00 C ATOM 0 H LEU A 74 7.104 -7.373 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 74 9.291 -9.069 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.355 -6.584 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.521 -6.771 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 74 10.145 -8.563 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.463 -7.922 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.375 -6.514 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.471 -6.849 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.986 -9.936 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.963 -8.997 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.555 -9.984 -2.632 1.00 0.00 H new ATOM 1086 N SER A 75 9.559 -7.420 0.182 1.00 0.00 N ATOM 1087 CA SER A 75 9.413 -6.844 1.509 1.00 0.00 C ATOM 1088 C SER A 75 9.343 -5.319 1.411 1.00 0.00 C ATOM 1089 O SER A 75 9.837 -4.730 0.451 1.00 0.00 O ATOM 1090 CB SER A 75 10.567 -7.264 2.420 1.00 0.00 C ATOM 1091 OG SER A 75 11.806 -7.331 1.719 1.00 0.00 O ATOM 0 H SER A 75 10.491 -7.778 -0.028 1.00 0.00 H new ATOM 0 HA SER A 75 8.486 -7.217 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.655 -6.555 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.346 -8.237 2.859 1.00 0.00 H new ATOM 0 HG SER A 75 12.517 -7.601 2.337 1.00 0.00 H new ATOM 1097 N GLN A 76 8.724 -4.722 2.420 1.00 0.00 N ATOM 1098 CA GLN A 76 8.582 -3.277 2.460 1.00 0.00 C ATOM 1099 C GLN A 76 9.866 -2.631 2.986 1.00 0.00 C ATOM 1100 O GLN A 76 9.990 -1.408 2.996 1.00 0.00 O ATOM 1101 CB GLN A 76 7.377 -2.868 3.308 1.00 0.00 C ATOM 1102 CG GLN A 76 7.780 -2.663 4.772 1.00 0.00 C ATOM 1103 CD GLN A 76 8.183 -3.989 5.420 1.00 0.00 C ATOM 1104 OE1 GLN A 76 7.355 -4.812 5.775 1.00 0.00 O ATOM 1105 NE2 GLN A 76 9.496 -4.147 5.554 1.00 0.00 N ATOM 0 H GLN A 76 8.316 -5.213 3.215 1.00 0.00 H new ATOM 0 HA GLN A 76 8.409 -2.921 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.946 -1.948 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.605 -3.635 3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.610 -1.959 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.949 -2.222 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.133 -3.417 5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.867 -4.998 5.976 1.00 0.00 H new ATOM 1114 N GLU A 77 10.788 -3.484 3.408 1.00 0.00 N ATOM 1115 CA GLU A 77 12.059 -3.013 3.932 1.00 0.00 C ATOM 1116 C GLU A 77 12.651 -1.945 3.009 1.00 0.00 C ATOM 1117 O GLU A 77 12.831 -0.798 3.416 1.00 0.00 O ATOM 1118 CB GLU A 77 13.037 -4.172 4.126 1.00 0.00 C ATOM 1119 CG GLU A 77 12.488 -5.190 5.128 1.00 0.00 C ATOM 1120 CD GLU A 77 12.560 -4.648 6.557 1.00 0.00 C ATOM 1121 OE1 GLU A 77 11.622 -3.915 6.935 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.555 -4.978 7.239 1.00 0.00 O ATOM 0 H GLU A 77 10.680 -4.498 3.398 1.00 0.00 H new ATOM 0 HA GLU A 77 11.882 -2.564 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.222 -4.661 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.995 -3.789 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.455 -5.430 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.057 -6.117 5.058 1.00 0.00 H new ATOM 1129 N ARG A 78 12.938 -2.361 1.784 1.00 0.00 N ATOM 1130 CA ARG A 78 13.507 -1.455 0.801 1.00 0.00 C ATOM 1131 C ARG A 78 12.407 -0.593 0.177 1.00 0.00 C ATOM 1132 O ARG A 78 12.599 0.604 -0.037 1.00 0.00 O ATOM 1133 CB ARG A 78 14.232 -2.224 -0.304 1.00 0.00 C ATOM 1134 CG ARG A 78 14.792 -3.546 0.226 1.00 0.00 C ATOM 1135 CD ARG A 78 13.940 -4.731 -0.239 1.00 0.00 C ATOM 1136 NE ARG A 78 14.787 -5.933 -0.391 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.307 -7.171 -0.570 1.00 0.00 C ATOM 1138 NH1 ARG A 78 12.983 -7.376 -0.624 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.150 -8.205 -0.700 1.00 0.00 N ATOM 0 H ARG A 78 12.787 -3.313 1.450 1.00 0.00 H new ATOM 0 HA ARG A 78 14.227 -0.818 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.545 -2.420 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.043 -1.615 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.818 -3.674 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.822 -3.521 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.146 -4.924 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.458 -4.493 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 78 15.799 -5.812 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.341 -6.589 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.618 -8.319 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.157 -8.050 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.784 -9.147 -0.836 1.00 0.00 H new ATOM 1153 N ALA A 79 11.282 -1.234 -0.100 1.00 0.00 N ATOM 1154 CA ALA A 79 10.152 -0.542 -0.697 1.00 0.00 C ATOM 1155 C ALA A 79 9.700 0.584 0.235 1.00 0.00 C ATOM 1156 O ALA A 79 9.976 1.755 -0.021 1.00 0.00 O ATOM 1157 CB ALA A 79 9.033 -1.544 -0.986 1.00 0.00 C ATOM 0 H ALA A 79 11.128 -2.226 0.078 1.00 0.00 H new ATOM 0 HA ALA A 79 10.437 -0.090 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.186 -1.024 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.396 -2.306 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.718 -2.016 -0.055 1.00 0.00 H new ATOM 1163 N ALA A 80 9.014 0.191 1.298 1.00 0.00 N ATOM 1164 CA ALA A 80 8.522 1.152 2.269 1.00 0.00 C ATOM 1165 C ALA A 80 9.403 2.403 2.234 1.00 0.00 C ATOM 1166 O ALA A 80 8.895 3.522 2.221 1.00 0.00 O ATOM 1167 CB ALA A 80 8.483 0.504 3.655 1.00 0.00 C ATOM 0 H ALA A 80 8.787 -0.781 1.508 1.00 0.00 H new ATOM 0 HA ALA A 80 7.505 1.458 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.114 1.226 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.821 -0.361 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.487 0.186 3.936 1.00 0.00 H new ATOM 1173 N GLU A 81 10.707 2.169 2.222 1.00 0.00 N ATOM 1174 CA GLU A 81 11.663 3.262 2.189 1.00 0.00 C ATOM 1175 C GLU A 81 11.463 4.105 0.928 1.00 0.00 C ATOM 1176 O GLU A 81 10.859 5.174 0.981 1.00 0.00 O ATOM 1177 CB GLU A 81 13.098 2.738 2.278 1.00 0.00 C ATOM 1178 CG GLU A 81 14.104 3.890 2.261 1.00 0.00 C ATOM 1179 CD GLU A 81 15.352 3.541 3.076 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.187 2.824 4.085 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.441 4.000 2.669 1.00 0.00 O ATOM 0 H GLU A 81 11.124 1.238 2.235 1.00 0.00 H new ATOM 0 HA GLU A 81 11.489 3.897 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.221 2.157 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.296 2.065 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.388 4.114 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.640 4.789 2.667 1.00 0.00 H new ATOM 1188 N LEU A 82 11.983 3.589 -0.177 1.00 0.00 N ATOM 1189 CA LEU A 82 11.868 4.281 -1.449 1.00 0.00 C ATOM 1190 C LEU A 82 10.413 4.695 -1.673 1.00 0.00 C ATOM 1191 O LEU A 82 10.135 5.613 -2.443 1.00 0.00 O ATOM 1192 CB LEU A 82 12.443 3.424 -2.579 1.00 0.00 C ATOM 1193 CG LEU A 82 12.717 4.146 -3.899 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.427 4.732 -4.479 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.802 5.211 -3.727 1.00 0.00 C ATOM 0 H LEU A 82 12.484 2.701 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 82 12.461 5.195 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.375 2.979 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.752 2.604 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 82 13.093 3.417 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.648 5.240 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.712 3.929 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.001 5.444 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.977 5.709 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.478 5.944 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.725 4.739 -3.389 1.00 0.00 H new ATOM 1207 N MET A 83 9.521 3.998 -0.982 1.00 0.00 N ATOM 1208 CA MET A 83 8.100 4.282 -1.096 1.00 0.00 C ATOM 1209 C MET A 83 7.680 5.374 -0.108 1.00 0.00 C ATOM 1210 O MET A 83 6.669 6.044 -0.313 1.00 0.00 O ATOM 1211 CB MET A 83 7.301 3.009 -0.818 1.00 0.00 C ATOM 1212 CG MET A 83 6.380 3.191 0.390 1.00 0.00 C ATOM 1213 SD MET A 83 5.015 2.043 0.296 1.00 0.00 S ATOM 1214 CE MET A 83 5.180 1.236 1.880 1.00 0.00 C ATOM 0 H MET A 83 9.755 3.239 -0.342 1.00 0.00 H new ATOM 0 HA MET A 83 7.898 4.634 -2.108 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.709 2.749 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.984 2.179 -0.637 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.939 3.029 1.312 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.004 4.214 0.420 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.191 0.992 2.269 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.760 0.321 1.763 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.689 1.902 2.576 1.00 0.00 H new ATOM 1224 N THR A 84 8.477 5.520 0.939 1.00 0.00 N ATOM 1225 CA THR A 84 8.200 6.518 1.957 1.00 0.00 C ATOM 1226 C THR A 84 8.305 7.926 1.367 1.00 0.00 C ATOM 1227 O THR A 84 7.347 8.696 1.411 1.00 0.00 O ATOM 1228 CB THR A 84 9.154 6.278 3.129 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.643 5.107 3.759 1.00 0.00 O ATOM 1230 CG2 THR A 84 9.046 7.360 4.204 1.00 0.00 C ATOM 0 H THR A 84 9.316 4.963 1.105 1.00 0.00 H new ATOM 0 HA THR A 84 7.179 6.430 2.328 1.00 0.00 H new ATOM 0 HB THR A 84 10.179 6.237 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.580 4.383 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.744 7.141 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.287 8.330 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.030 7.381 4.598 1.00 0.00 H new ATOM 1238 N ARG A 85 9.478 8.220 0.827 1.00 0.00 N ATOM 1239 CA ARG A 85 9.721 9.520 0.226 1.00 0.00 C ATOM 1240 C ARG A 85 8.868 9.694 -1.031 1.00 0.00 C ATOM 1241 O ARG A 85 9.397 9.921 -2.117 1.00 0.00 O ATOM 1242 CB ARG A 85 11.198 9.691 -0.140 1.00 0.00 C ATOM 1243 CG ARG A 85 11.645 11.142 0.049 1.00 0.00 C ATOM 1244 CD ARG A 85 13.058 11.355 -0.498 1.00 0.00 C ATOM 1245 NE ARG A 85 13.902 12.020 0.522 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.725 13.281 0.937 1.00 0.00 C ATOM 1247 NH1 ARG A 85 12.737 14.024 0.421 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.538 13.800 1.865 1.00 0.00 N ATOM 0 H ARG A 85 10.271 7.580 0.793 1.00 0.00 H new ATOM 0 HA ARG A 85 9.450 10.279 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.808 9.035 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.357 9.390 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.950 11.810 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.618 11.400 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.497 10.397 -0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.019 11.963 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 85 14.666 11.484 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.119 13.629 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.603 14.984 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.292 13.235 2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.404 14.760 2.181 1.00 0.00 H new ATOM 1262 N THR A 86 7.562 9.580 -0.840 1.00 0.00 N ATOM 1263 CA THR A 86 6.629 9.721 -1.946 1.00 0.00 C ATOM 1264 C THR A 86 6.249 11.190 -2.139 1.00 0.00 C ATOM 1265 O THR A 86 6.435 11.747 -3.220 1.00 0.00 O ATOM 1266 CB THR A 86 5.429 8.814 -1.671 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.875 7.519 -2.064 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.252 9.101 -2.604 1.00 0.00 C ATOM 0 H THR A 86 7.128 9.392 0.063 1.00 0.00 H new ATOM 0 HA THR A 86 7.081 9.409 -2.887 1.00 0.00 H new ATOM 0 HB THR A 86 5.110 8.938 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.358 7.100 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.427 8.430 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.928 10.134 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.561 8.945 -3.638 1.00 0.00 H new ATOM 1276 N SER A 87 5.725 11.777 -1.073 1.00 0.00 N ATOM 1277 CA SER A 87 5.316 13.172 -1.111 1.00 0.00 C ATOM 1278 C SER A 87 4.887 13.551 -2.529 1.00 0.00 C ATOM 1279 O SER A 87 5.633 14.209 -3.252 1.00 0.00 O ATOM 1280 CB SER A 87 6.444 14.089 -0.635 1.00 0.00 C ATOM 1281 OG SER A 87 6.276 14.480 0.725 1.00 0.00 O ATOM 0 H SER A 87 5.574 11.313 -0.177 1.00 0.00 H new ATOM 0 HA SER A 87 4.470 13.300 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.400 13.578 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.480 14.977 -1.266 1.00 0.00 H new ATOM 0 HG SER A 87 7.017 15.063 0.992 1.00 0.00 H new ATOM 1287 N SER A 88 3.683 13.123 -2.883 1.00 0.00 N ATOM 1288 CA SER A 88 3.145 13.411 -4.201 1.00 0.00 C ATOM 1289 C SER A 88 2.129 12.338 -4.598 1.00 0.00 C ATOM 1290 O SER A 88 0.959 12.641 -4.830 1.00 0.00 O ATOM 1291 CB SER A 88 4.261 13.497 -5.245 1.00 0.00 C ATOM 1292 OG SER A 88 4.744 14.829 -5.400 1.00 0.00 O ATOM 0 H SER A 88 3.066 12.579 -2.280 1.00 0.00 H new ATOM 0 HA SER A 88 2.645 14.379 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.083 12.845 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.891 13.132 -6.203 1.00 0.00 H new ATOM 0 HG SER A 88 5.420 15.013 -4.715 1.00 0.00 H new ATOM 1298 N VAL A 89 2.612 11.106 -4.661 1.00 0.00 N ATOM 1299 CA VAL A 89 1.761 9.987 -5.025 1.00 0.00 C ATOM 1300 C VAL A 89 2.496 8.676 -4.735 1.00 0.00 C ATOM 1301 O VAL A 89 3.657 8.516 -5.110 1.00 0.00 O ATOM 1302 CB VAL A 89 1.322 10.115 -6.485 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.505 9.915 -7.434 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.190 9.137 -6.806 1.00 0.00 C ATOM 0 H VAL A 89 3.582 10.858 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 89 0.851 9.990 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 89 0.942 11.126 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.165 10.011 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.266 10.669 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.929 8.922 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.103 9.249 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.531 8.116 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.666 9.348 -6.165 1.00 0.00 H new ATOM 1314 N VAL A 90 1.792 7.774 -4.070 1.00 0.00 N ATOM 1315 CA VAL A 90 2.363 6.483 -3.725 1.00 0.00 C ATOM 1316 C VAL A 90 1.619 5.381 -4.484 1.00 0.00 C ATOM 1317 O VAL A 90 0.452 5.110 -4.202 1.00 0.00 O ATOM 1318 CB VAL A 90 2.338 6.287 -2.209 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.753 6.108 -1.655 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.622 7.449 -1.518 1.00 0.00 C ATOM 0 H VAL A 90 0.830 7.911 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 90 3.409 6.436 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 90 1.779 5.375 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.706 5.971 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.215 5.233 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.348 6.993 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.618 7.285 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.141 8.381 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.595 7.510 -1.879 1.00 0.00 H new ATOM 1330 N THR A 91 2.322 4.778 -5.430 1.00 0.00 N ATOM 1331 CA THR A 91 1.742 3.713 -6.230 1.00 0.00 C ATOM 1332 C THR A 91 2.152 2.346 -5.675 1.00 0.00 C ATOM 1333 O THR A 91 3.299 1.929 -5.826 1.00 0.00 O ATOM 1334 CB THR A 91 2.167 3.928 -7.684 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.248 4.853 -7.597 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.106 4.672 -8.498 1.00 0.00 C ATOM 0 H THR A 91 3.289 5.007 -5.661 1.00 0.00 H new ATOM 0 HA THR A 91 0.653 3.735 -6.187 1.00 0.00 H new ATOM 0 HB THR A 91 2.373 2.964 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.585 5.047 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.456 4.799 -9.522 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.180 4.097 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.925 5.650 -8.052 1.00 0.00 H new ATOM 1344 N LEU A 92 1.190 1.688 -5.044 1.00 0.00 N ATOM 1345 CA LEU A 92 1.435 0.377 -4.466 1.00 0.00 C ATOM 1346 C LEU A 92 0.400 -0.613 -5.001 1.00 0.00 C ATOM 1347 O LEU A 92 -0.758 -0.254 -5.211 1.00 0.00 O ATOM 1348 CB LEU A 92 1.471 0.464 -2.939 1.00 0.00 C ATOM 1349 CG LEU A 92 1.683 1.861 -2.352 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.817 1.801 -0.828 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.880 2.555 -3.003 1.00 0.00 C ATOM 0 H LEU A 92 0.240 2.038 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 92 2.415 0.006 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.534 0.066 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.268 -0.186 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 92 0.801 2.461 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.967 2.807 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.909 1.376 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.670 1.177 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.007 3.546 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.780 1.965 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.707 2.650 -4.075 1.00 0.00 H new ATOM 1363 N GLU A 93 0.853 -1.842 -5.206 1.00 0.00 N ATOM 1364 CA GLU A 93 -0.021 -2.886 -5.713 1.00 0.00 C ATOM 1365 C GLU A 93 -0.598 -3.703 -4.554 1.00 0.00 C ATOM 1366 O GLU A 93 0.149 -4.265 -3.754 1.00 0.00 O ATOM 1367 CB GLU A 93 0.719 -3.786 -6.703 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.160 -4.959 -7.142 1.00 0.00 C ATOM 1369 CD GLU A 93 0.665 -6.024 -7.867 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.135 -5.716 -8.983 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.809 -7.122 -7.287 1.00 0.00 O ATOM 0 H GLU A 93 1.813 -2.137 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.847 -2.416 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.018 -3.205 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.633 -4.164 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.644 -5.400 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.952 -4.598 -7.799 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.921 -3.745 -4.502 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.606 -4.484 -3.456 1.00 0.00 C ATOM 1380 C VAL A 94 -3.343 -5.672 -4.076 1.00 0.00 C ATOM 1381 O VAL A 94 -3.445 -5.775 -5.297 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.532 -3.548 -2.675 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.794 -2.276 -2.252 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.784 -3.214 -3.486 1.00 0.00 C ATOM 0 H VAL A 94 -2.537 -3.279 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.889 -4.884 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.849 -4.067 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.474 -1.628 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.948 -2.540 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.434 -1.753 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.425 -2.548 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.495 -2.724 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.326 -4.132 -3.713 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.837 -6.541 -3.207 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.561 -7.719 -3.653 1.00 0.00 C ATOM 1396 C ALA A 95 -5.730 -7.984 -2.704 1.00 0.00 C ATOM 1397 O ALA A 95 -5.541 -8.081 -1.491 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.599 -8.907 -3.740 1.00 0.00 C ATOM 0 H ALA A 95 -3.750 -6.453 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.975 -7.561 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.142 -9.791 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.803 -8.680 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.166 -9.097 -2.758 1.00 0.00 H new