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 52:sc= 0.817 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.981 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= -1.69 X(o=-1.7,f=-1.6) USER MOD Single : A 23 MET CE :methyl 154:sc= -3.4! (180deg=-7.07!) USER MOD Single : A 26 SER OG : rot 150:sc= -1.4 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 -94:sc= -0.0518 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.4) USER MOD Single : A 65 SER OG : rot 178:sc= -0.77 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -8.12! C(o=-8.1!,f=-11!) USER MOD Single : A 83 MET CE :methyl -116:sc= -8.14! (180deg=-13.2!) USER MOD Single : A 84 THR OG1 : rot 90:sc= 0.303 USER MOD Single : A 86 THR OG1 : rot -71:sc= -4.96! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 72:sc= 1.07 USER MOD Single : A 91 THR OG1 : rot 101:sc= -3.02! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -4.662 -4.897 -7.610 1.00 0.00 N ATOM 154 CA GLU A 11 -3.866 -4.358 -8.697 1.00 0.00 C ATOM 155 C GLU A 11 -2.966 -3.229 -8.188 1.00 0.00 C ATOM 156 O GLU A 11 -2.714 -3.126 -6.988 1.00 0.00 O ATOM 157 CB GLU A 11 -4.756 -3.871 -9.843 1.00 0.00 C ATOM 158 CG GLU A 11 -4.370 -4.547 -11.160 1.00 0.00 C ATOM 159 CD GLU A 11 -4.617 -3.612 -12.346 1.00 0.00 C ATOM 160 OE1 GLU A 11 -3.899 -2.591 -12.424 1.00 0.00 O ATOM 161 OE2 GLU A 11 -5.518 -3.939 -13.151 1.00 0.00 O ATOM 0 HA GLU A 11 -3.233 -5.156 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.800 -4.083 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.665 -2.790 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.319 -4.835 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.948 -5.462 -11.287 1.00 0.00 H new ATOM 168 N ILE A 12 -2.509 -2.410 -9.123 1.00 0.00 N ATOM 169 CA ILE A 12 -1.644 -1.294 -8.783 1.00 0.00 C ATOM 170 C ILE A 12 -2.497 -0.043 -8.554 1.00 0.00 C ATOM 171 O ILE A 12 -3.087 0.489 -9.493 1.00 0.00 O ATOM 172 CB ILE A 12 -0.561 -1.110 -9.848 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.520 -0.140 -9.368 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.171 -0.679 -11.182 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.766 -0.224 -10.254 1.00 0.00 C ATOM 0 H ILE A 12 -2.722 -2.497 -10.117 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.114 -1.495 -7.852 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.077 -2.072 -10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.130 0.878 -9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.787 -0.369 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.379 -0.555 -11.921 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.872 -1.440 -11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.698 0.267 -11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.519 0.476 -9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.167 -1.237 -10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.500 0.029 -11.280 1.00 0.00 H new ATOM 187 N ILE A 13 -2.537 0.385 -7.300 1.00 0.00 N ATOM 188 CA ILE A 13 -3.310 1.562 -6.937 1.00 0.00 C ATOM 189 C ILE A 13 -2.365 2.753 -6.763 1.00 0.00 C ATOM 190 O ILE A 13 -1.232 2.589 -6.310 1.00 0.00 O ATOM 191 CB ILE A 13 -4.173 1.276 -5.706 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.462 -0.221 -5.575 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.458 2.107 -5.733 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.507 -0.484 -4.489 1.00 0.00 C ATOM 0 H ILE A 13 -2.048 -0.061 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.007 1.822 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.614 1.575 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.817 -0.611 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.541 -0.753 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.053 1.885 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.205 3.167 -5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.032 1.861 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.694 -1.555 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.138 -0.114 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.434 0.030 -4.744 1.00 0.00 H new ATOM 206 N THR A 14 -2.865 3.921 -7.132 1.00 0.00 N ATOM 207 CA THR A 14 -2.079 5.139 -7.023 1.00 0.00 C ATOM 208 C THR A 14 -2.769 6.137 -6.091 1.00 0.00 C ATOM 209 O THR A 14 -3.838 6.653 -6.409 1.00 0.00 O ATOM 210 CB THR A 14 -1.852 5.685 -8.434 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.123 6.206 -8.814 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.582 4.575 -9.453 1.00 0.00 C ATOM 0 H THR A 14 -3.805 4.051 -7.507 1.00 0.00 H new ATOM 0 HA THR A 14 -1.105 4.941 -6.575 1.00 0.00 H new ATOM 0 HB THR A 14 -1.013 6.381 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.451 6.811 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.428 5.015 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.691 4.021 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.435 3.898 -9.488 1.00 0.00 H new ATOM 220 N VAL A 15 -2.130 6.377 -4.956 1.00 0.00 N ATOM 221 CA VAL A 15 -2.667 7.305 -3.974 1.00 0.00 C ATOM 222 C VAL A 15 -1.857 8.603 -4.006 1.00 0.00 C ATOM 223 O VAL A 15 -0.705 8.628 -3.581 1.00 0.00 O ATOM 224 CB VAL A 15 -2.691 6.648 -2.593 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.989 6.977 -1.852 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.490 5.136 -2.701 1.00 0.00 C ATOM 0 H VAL A 15 -1.244 5.945 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.699 7.562 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.862 7.055 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.981 6.498 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.073 8.057 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.839 6.611 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.511 4.694 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.288 4.705 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.528 4.929 -3.169 1.00 0.00 H new ATOM 236 N THR A 16 -2.494 9.647 -4.514 1.00 0.00 N ATOM 237 CA THR A 16 -1.847 10.945 -4.607 1.00 0.00 C ATOM 238 C THR A 16 -2.204 11.807 -3.393 1.00 0.00 C ATOM 239 O THR A 16 -3.315 11.719 -2.871 1.00 0.00 O ATOM 240 CB THR A 16 -2.246 11.578 -5.941 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.975 10.562 -6.902 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.320 12.728 -6.343 1.00 0.00 C ATOM 0 H THR A 16 -3.451 9.621 -4.866 1.00 0.00 H new ATOM 0 HA THR A 16 -0.761 10.848 -4.589 1.00 0.00 H new ATOM 0 HB THR A 16 -3.271 11.943 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.207 10.888 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.647 13.142 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.353 13.505 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.300 12.357 -6.439 1.00 0.00 H new ATOM 250 N LEU A 17 -1.243 12.621 -2.983 1.00 0.00 N ATOM 251 CA LEU A 17 -1.443 13.497 -1.843 1.00 0.00 C ATOM 252 C LEU A 17 -2.325 14.676 -2.258 1.00 0.00 C ATOM 253 O LEU A 17 -1.876 15.568 -2.975 1.00 0.00 O ATOM 254 CB LEU A 17 -0.097 13.917 -1.245 1.00 0.00 C ATOM 255 CG LEU A 17 0.532 12.937 -0.252 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.006 13.664 1.007 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.431 11.793 0.073 1.00 0.00 C ATOM 0 H LEU A 17 -0.324 12.692 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.969 12.970 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.607 14.077 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.228 14.876 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 17 1.412 12.493 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.449 12.946 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.750 14.413 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.157 14.152 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.040 11.111 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.343 12.198 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.677 11.254 -0.842 1.00 0.00 H new ATOM 269 N LYS A 18 -3.563 14.641 -1.789 1.00 0.00 N ATOM 270 CA LYS A 18 -4.512 15.696 -2.104 1.00 0.00 C ATOM 271 C LYS A 18 -4.474 16.757 -1.003 1.00 0.00 C ATOM 272 O LYS A 18 -4.400 17.950 -1.288 1.00 0.00 O ATOM 273 CB LYS A 18 -5.906 15.108 -2.344 1.00 0.00 C ATOM 274 CG LYS A 18 -6.930 16.216 -2.598 1.00 0.00 C ATOM 275 CD LYS A 18 -7.788 15.898 -3.824 1.00 0.00 C ATOM 276 CE LYS A 18 -7.210 16.552 -5.081 1.00 0.00 C ATOM 277 NZ LYS A 18 -7.697 17.943 -5.212 1.00 0.00 N ATOM 0 H LYS A 18 -3.931 13.899 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.235 16.192 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.877 14.431 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.210 14.518 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.569 16.333 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.415 17.165 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.843 14.818 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.806 16.251 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.121 16.545 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.495 15.976 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.295 18.372 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.735 17.943 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.404 18.493 -4.380 1.00 0.00 H new ATOM 291 N LYS A 19 -4.525 16.282 0.234 1.00 0.00 N ATOM 292 CA LYS A 19 -4.497 17.175 1.379 1.00 0.00 C ATOM 293 C LYS A 19 -3.047 17.377 1.827 1.00 0.00 C ATOM 294 O LYS A 19 -2.779 18.152 2.745 1.00 0.00 O ATOM 295 CB LYS A 19 -5.415 16.656 2.487 1.00 0.00 C ATOM 296 CG LYS A 19 -5.408 17.598 3.692 1.00 0.00 C ATOM 297 CD LYS A 19 -6.642 17.374 4.570 1.00 0.00 C ATOM 298 CE LYS A 19 -6.236 17.012 6.002 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.553 18.124 6.925 1.00 0.00 N ATOM 0 H LYS A 19 -4.585 15.291 0.467 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.888 18.155 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.431 16.556 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.092 15.662 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.505 17.436 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.384 18.632 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.256 18.275 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.253 16.576 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.758 16.109 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.169 16.793 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.272 17.864 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.035 18.977 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.575 18.314 6.901 1.00 0.00 H new ATOM 313 N GLN A 20 -2.150 16.667 1.158 1.00 0.00 N ATOM 314 CA GLN A 20 -0.736 16.759 1.477 1.00 0.00 C ATOM 315 C GLN A 20 -0.508 16.505 2.967 1.00 0.00 C ATOM 316 O GLN A 20 0.296 17.187 3.601 1.00 0.00 O ATOM 317 CB GLN A 20 -0.167 18.116 1.058 1.00 0.00 C ATOM 318 CG GLN A 20 0.689 17.986 -0.203 1.00 0.00 C ATOM 319 CD GLN A 20 1.672 19.153 -0.323 1.00 0.00 C ATOM 320 OE1 GLN A 20 2.724 19.179 0.294 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.269 20.115 -1.150 1.00 0.00 N ATOM 0 H GLN A 20 -2.375 16.026 0.397 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.207 15.990 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.983 18.816 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.434 18.528 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.238 17.045 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.045 17.957 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.376 20.029 -1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.853 20.938 -1.299 1.00 0.00 H new ATOM 330 N ASN A 21 -1.233 15.524 3.486 1.00 0.00 N ATOM 331 CA ASN A 21 -1.121 15.173 4.892 1.00 0.00 C ATOM 332 C ASN A 21 -0.067 14.076 5.056 1.00 0.00 C ATOM 333 O ASN A 21 -0.202 13.205 5.913 1.00 0.00 O ATOM 334 CB ASN A 21 -2.448 14.639 5.433 1.00 0.00 C ATOM 335 CG ASN A 21 -2.522 14.799 6.953 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.529 14.762 7.658 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.757 14.978 7.417 1.00 0.00 N ATOM 0 H ASN A 21 -1.900 14.961 2.958 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.842 16.071 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.276 15.172 4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.556 13.587 5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.914 15.094 8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.546 14.999 6.771 1.00 0.00 H new ATOM 344 N GLY A 22 0.958 14.154 4.219 1.00 0.00 N ATOM 345 CA GLY A 22 2.035 13.178 4.262 1.00 0.00 C ATOM 346 C GLY A 22 1.603 11.859 3.620 1.00 0.00 C ATOM 347 O GLY A 22 2.277 11.351 2.723 1.00 0.00 O ATOM 0 H GLY A 22 1.066 14.877 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.908 13.571 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.332 13.004 5.296 1.00 0.00 H new ATOM 351 N MET A 23 0.485 11.341 4.102 1.00 0.00 N ATOM 352 CA MET A 23 -0.045 10.088 3.584 1.00 0.00 C ATOM 353 C MET A 23 -1.131 9.529 4.507 1.00 0.00 C ATOM 354 O MET A 23 -2.320 9.655 4.220 1.00 0.00 O ATOM 355 CB MET A 23 1.088 9.071 3.456 1.00 0.00 C ATOM 356 CG MET A 23 1.260 8.625 2.001 1.00 0.00 C ATOM 357 SD MET A 23 2.897 9.043 1.424 1.00 0.00 S ATOM 358 CE MET A 23 3.744 7.506 1.750 1.00 0.00 C ATOM 0 H MET A 23 -0.070 11.764 4.846 1.00 0.00 H new ATOM 0 HA MET A 23 -0.488 10.278 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.018 9.509 3.819 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.877 8.205 4.084 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.101 7.550 1.920 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.510 9.106 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.591 7.406 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.101 7.499 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.058 6.673 1.598 1.00 0.00 H new ATOM 368 N GLY A 24 -0.682 8.925 5.598 1.00 0.00 N ATOM 369 CA GLY A 24 -1.599 8.346 6.564 1.00 0.00 C ATOM 370 C GLY A 24 -1.959 6.908 6.186 1.00 0.00 C ATOM 371 O GLY A 24 -3.129 6.531 6.201 1.00 0.00 O ATOM 0 H GLY A 24 0.305 8.824 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.146 8.363 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.505 8.949 6.617 1.00 0.00 H new ATOM 375 N LEU A 25 -0.929 6.144 5.856 1.00 0.00 N ATOM 376 CA LEU A 25 -1.121 4.753 5.475 1.00 0.00 C ATOM 377 C LEU A 25 -0.446 3.849 6.506 1.00 0.00 C ATOM 378 O LEU A 25 0.378 4.308 7.295 1.00 0.00 O ATOM 379 CB LEU A 25 -0.638 4.518 4.042 1.00 0.00 C ATOM 380 CG LEU A 25 -1.669 4.767 2.938 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.556 3.712 1.837 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.084 4.843 3.515 1.00 0.00 C ATOM 0 H LEU A 25 0.041 6.460 5.844 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.182 4.501 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.223 5.161 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.290 3.488 3.961 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.455 5.734 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.299 3.911 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.559 3.749 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.730 2.723 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.796 5.021 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.325 3.903 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.140 5.659 4.235 1.00 0.00 H new ATOM 394 N SER A 26 -0.818 2.578 6.467 1.00 0.00 N ATOM 395 CA SER A 26 -0.259 1.605 7.390 1.00 0.00 C ATOM 396 C SER A 26 -0.143 0.242 6.704 1.00 0.00 C ATOM 397 O SER A 26 -1.154 -0.401 6.415 1.00 0.00 O ATOM 398 CB SER A 26 -1.112 1.491 8.655 1.00 0.00 C ATOM 399 OG SER A 26 -0.331 1.143 9.794 1.00 0.00 O ATOM 0 H SER A 26 -1.500 2.199 5.810 1.00 0.00 H new ATOM 0 HA SER A 26 0.734 1.944 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.618 2.439 8.838 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.887 0.740 8.503 1.00 0.00 H new ATOM 0 HG SER A 26 -0.737 1.527 10.599 1.00 0.00 H new ATOM 405 N ILE A 27 1.095 -0.161 6.462 1.00 0.00 N ATOM 406 CA ILE A 27 1.355 -1.436 5.816 1.00 0.00 C ATOM 407 C ILE A 27 2.325 -2.250 6.675 1.00 0.00 C ATOM 408 O ILE A 27 2.793 -1.775 7.710 1.00 0.00 O ATOM 409 CB ILE A 27 1.840 -1.221 4.382 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.364 -1.306 4.295 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.305 0.099 3.815 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.856 -0.945 2.893 1.00 0.00 C ATOM 0 H ILE A 27 1.930 0.373 6.702 1.00 0.00 H new ATOM 0 HA ILE A 27 0.435 -2.015 5.735 1.00 0.00 H new ATOM 0 HB ILE A 27 1.440 -2.025 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.811 -0.632 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.690 -2.314 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.664 0.229 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.215 0.081 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.655 0.928 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.943 -1.014 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.426 -1.636 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.549 0.073 2.651 1.00 0.00 H new ATOM 424 N VAL A 28 2.601 -3.461 6.216 1.00 0.00 N ATOM 425 CA VAL A 28 3.507 -4.345 6.929 1.00 0.00 C ATOM 426 C VAL A 28 4.154 -5.314 5.937 1.00 0.00 C ATOM 427 O VAL A 28 3.645 -5.511 4.834 1.00 0.00 O ATOM 428 CB VAL A 28 2.762 -5.056 8.060 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.914 -6.210 7.519 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.733 -5.548 9.134 1.00 0.00 C ATOM 0 H VAL A 28 2.213 -3.852 5.358 1.00 0.00 H new ATOM 0 HA VAL A 28 4.310 -3.774 7.395 1.00 0.00 H new ATOM 0 HB VAL A 28 2.090 -4.333 8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.395 -6.698 8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.183 -5.823 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.559 -6.932 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.176 -6.049 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.442 -6.247 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.273 -4.699 9.552 1.00 0.00 H new ATOM 440 N ALA A 29 5.264 -5.895 6.367 1.00 0.00 N ATOM 441 CA ALA A 29 5.986 -6.840 5.529 1.00 0.00 C ATOM 442 C ALA A 29 6.536 -7.970 6.402 1.00 0.00 C ATOM 443 O ALA A 29 7.323 -7.725 7.315 1.00 0.00 O ATOM 444 CB ALA A 29 7.087 -6.104 4.764 1.00 0.00 C ATOM 0 H ALA A 29 5.681 -5.731 7.283 1.00 0.00 H new ATOM 0 HA ALA A 29 5.320 -7.288 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.629 -6.811 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.641 -5.331 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.777 -5.645 5.472 1.00 0.00 H new ATOM 450 N ALA A 30 6.104 -9.181 6.088 1.00 0.00 N ATOM 451 CA ALA A 30 6.543 -10.350 6.832 1.00 0.00 C ATOM 452 C ALA A 30 7.652 -11.059 6.049 1.00 0.00 C ATOM 453 O ALA A 30 7.853 -10.787 4.866 1.00 0.00 O ATOM 454 CB ALA A 30 5.347 -11.263 7.103 1.00 0.00 C ATOM 0 H ALA A 30 5.454 -9.379 5.328 1.00 0.00 H new ATOM 0 HA ALA A 30 6.954 -10.058 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.677 -12.139 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.601 -10.722 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.909 -11.579 6.156 1.00 0.00 H new ATOM 576 N GLY A 39 5.776 -11.661 2.970 1.00 0.00 N ATOM 577 CA GLY A 39 4.796 -10.944 2.174 1.00 0.00 C ATOM 578 C GLY A 39 4.580 -9.527 2.713 1.00 0.00 C ATOM 579 O GLY A 39 5.326 -9.069 3.576 1.00 0.00 O ATOM 0 HA2 GLY A 39 5.130 -10.895 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.851 -11.487 2.179 1.00 0.00 H new ATOM 583 N ILE A 40 3.556 -8.876 2.181 1.00 0.00 N ATOM 584 CA ILE A 40 3.233 -7.523 2.597 1.00 0.00 C ATOM 585 C ILE A 40 1.714 -7.371 2.692 1.00 0.00 C ATOM 586 O ILE A 40 0.980 -7.900 1.858 1.00 0.00 O ATOM 587 CB ILE A 40 3.896 -6.503 1.668 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.760 -7.201 0.615 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.690 -5.468 2.467 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.138 -6.235 -0.511 1.00 0.00 C ATOM 0 H ILE A 40 2.939 -9.261 1.465 1.00 0.00 H new ATOM 0 HA ILE A 40 3.636 -7.325 3.590 1.00 0.00 H new ATOM 0 HB ILE A 40 3.111 -5.965 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.664 -7.593 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.220 -8.053 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.151 -4.755 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.020 -4.939 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.466 -5.971 3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.752 -6.755 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.233 -5.864 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.699 -5.397 -0.098 1.00 0.00 H new ATOM 602 N TYR A 41 1.285 -6.646 3.714 1.00 0.00 N ATOM 603 CA TYR A 41 -0.134 -6.418 3.927 1.00 0.00 C ATOM 604 C TYR A 41 -0.396 -4.985 4.393 1.00 0.00 C ATOM 605 O TYR A 41 0.513 -4.307 4.873 1.00 0.00 O ATOM 606 CB TYR A 41 -0.554 -7.387 5.036 1.00 0.00 C ATOM 607 CG TYR A 41 -0.191 -8.846 4.755 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.618 -9.453 3.592 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.564 -9.556 5.667 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.276 -10.828 3.329 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.905 -10.931 5.403 1.00 0.00 C ATOM 612 CZ TYR A 41 0.469 -11.498 4.249 1.00 0.00 C ATOM 613 OH TYR A 41 0.791 -12.796 4.000 1.00 0.00 O ATOM 0 H TYR A 41 1.895 -6.208 4.404 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.691 -6.572 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.085 -7.080 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.632 -7.312 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.209 -8.898 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.899 -9.081 6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.604 -11.315 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.495 -11.498 6.108 1.00 0.00 H new ATOM 0 HH TYR A 41 1.326 -13.148 4.741 1.00 0.00 H new ATOM 623 N VAL A 42 -1.643 -4.564 4.239 1.00 0.00 N ATOM 624 CA VAL A 42 -2.035 -3.222 4.639 1.00 0.00 C ATOM 625 C VAL A 42 -2.704 -3.281 6.013 1.00 0.00 C ATOM 626 O VAL A 42 -3.722 -3.951 6.185 1.00 0.00 O ATOM 627 CB VAL A 42 -2.927 -2.597 3.565 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.556 -1.295 4.065 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.147 -2.368 2.269 1.00 0.00 C ATOM 0 H VAL A 42 -2.395 -5.128 3.843 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.160 -2.578 4.731 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.734 -3.298 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.185 -0.871 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.162 -1.499 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.769 -0.586 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.805 -1.923 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.310 -1.697 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.770 -3.321 1.898 1.00 0.00 H new ATOM 639 N LYS A 43 -2.106 -2.570 6.959 1.00 0.00 N ATOM 640 CA LYS A 43 -2.632 -2.531 8.312 1.00 0.00 C ATOM 641 C LYS A 43 -3.897 -1.671 8.339 1.00 0.00 C ATOM 642 O LYS A 43 -4.884 -2.034 8.977 1.00 0.00 O ATOM 643 CB LYS A 43 -1.553 -2.069 9.293 1.00 0.00 C ATOM 644 CG LYS A 43 -2.080 -2.070 10.729 1.00 0.00 C ATOM 645 CD LYS A 43 -1.539 -0.873 11.513 1.00 0.00 C ATOM 646 CE LYS A 43 -1.416 -1.203 13.003 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.941 -0.022 13.757 1.00 0.00 N ATOM 0 H LYS A 43 -1.262 -2.016 6.814 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.919 -3.531 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.685 -2.725 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.218 -1.067 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.170 -2.041 10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.790 -2.996 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.564 -0.586 11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.201 -0.017 11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.382 -1.525 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.724 -2.033 13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.863 -0.263 14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.009 0.268 13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.616 0.760 13.639 1.00 0.00 H new ATOM 661 N SER A 44 -3.827 -0.549 7.638 1.00 0.00 N ATOM 662 CA SER A 44 -4.954 0.366 7.574 1.00 0.00 C ATOM 663 C SER A 44 -4.460 1.786 7.294 1.00 0.00 C ATOM 664 O SER A 44 -3.256 2.037 7.280 1.00 0.00 O ATOM 665 CB SER A 44 -5.765 0.331 8.871 1.00 0.00 C ATOM 666 OG SER A 44 -4.931 0.209 10.020 1.00 0.00 O ATOM 0 H SER A 44 -3.007 -0.253 7.109 1.00 0.00 H new ATOM 0 HA SER A 44 -5.607 0.049 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.361 1.240 8.951 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.463 -0.506 8.839 1.00 0.00 H new ATOM 0 HG SER A 44 -4.842 -0.737 10.261 1.00 0.00 H new ATOM 672 N VAL A 45 -5.416 2.678 7.076 1.00 0.00 N ATOM 673 CA VAL A 45 -5.093 4.067 6.796 1.00 0.00 C ATOM 674 C VAL A 45 -5.210 4.883 8.085 1.00 0.00 C ATOM 675 O VAL A 45 -6.163 4.714 8.847 1.00 0.00 O ATOM 676 CB VAL A 45 -5.984 4.595 5.671 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.905 3.691 4.439 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.431 4.750 6.144 1.00 0.00 C ATOM 0 H VAL A 45 -6.414 2.466 7.088 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.064 4.157 6.447 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.616 5.581 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.548 4.089 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.876 3.653 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.235 2.686 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.043 5.127 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.814 3.782 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.468 5.452 6.977 1.00 0.00 H new ATOM 688 N VAL A 46 -4.231 5.750 8.292 1.00 0.00 N ATOM 689 CA VAL A 46 -4.214 6.593 9.474 1.00 0.00 C ATOM 690 C VAL A 46 -5.632 7.085 9.766 1.00 0.00 C ATOM 691 O VAL A 46 -5.987 7.315 10.921 1.00 0.00 O ATOM 692 CB VAL A 46 -3.209 7.733 9.289 1.00 0.00 C ATOM 693 CG1 VAL A 46 -3.573 8.930 10.172 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.782 7.258 9.570 1.00 0.00 C ATOM 0 H VAL A 46 -3.442 5.887 7.660 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.884 6.025 10.344 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.254 8.056 8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.844 9.727 10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.566 9.291 9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.568 8.625 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.088 8.087 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.714 6.896 10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.525 6.451 8.883 1.00 0.00 H new ATOM 704 N LYS A 47 -6.404 7.232 8.700 1.00 0.00 N ATOM 705 CA LYS A 47 -7.775 7.693 8.827 1.00 0.00 C ATOM 706 C LYS A 47 -7.786 9.216 8.969 1.00 0.00 C ATOM 707 O LYS A 47 -8.812 9.805 9.307 1.00 0.00 O ATOM 708 CB LYS A 47 -8.481 6.964 9.971 1.00 0.00 C ATOM 709 CG LYS A 47 -10.001 7.080 9.841 1.00 0.00 C ATOM 710 CD LYS A 47 -10.619 5.752 9.403 1.00 0.00 C ATOM 711 CE LYS A 47 -12.144 5.852 9.331 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.768 4.588 9.779 1.00 0.00 N ATOM 0 H LYS A 47 -6.106 7.040 7.744 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.342 7.453 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.192 5.913 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.161 7.382 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.428 7.386 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.249 7.856 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.224 5.467 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.336 4.967 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.490 6.676 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.452 6.074 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.803 4.673 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.452 3.809 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.489 4.392 10.761 1.00 0.00 H new ATOM 726 N GLY A 48 -6.631 9.812 8.705 1.00 0.00 N ATOM 727 CA GLY A 48 -6.496 11.255 8.798 1.00 0.00 C ATOM 728 C GLY A 48 -5.349 11.756 7.918 1.00 0.00 C ATOM 729 O GLY A 48 -4.661 12.713 8.272 1.00 0.00 O ATOM 0 H GLY A 48 -5.781 9.321 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.428 11.731 8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.316 11.541 9.834 1.00 0.00 H new ATOM 733 N GLY A 49 -5.179 11.086 6.787 1.00 0.00 N ATOM 734 CA GLY A 49 -4.128 11.452 5.853 1.00 0.00 C ATOM 735 C GLY A 49 -4.715 11.858 4.498 1.00 0.00 C ATOM 736 O GLY A 49 -5.928 11.806 4.303 1.00 0.00 O ATOM 0 H GLY A 49 -5.751 10.293 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.544 12.276 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.445 10.613 5.721 1.00 0.00 H new ATOM 740 N ALA A 50 -3.825 12.251 3.598 1.00 0.00 N ATOM 741 CA ALA A 50 -4.241 12.663 2.269 1.00 0.00 C ATOM 742 C ALA A 50 -4.636 11.428 1.456 1.00 0.00 C ATOM 743 O ALA A 50 -5.800 11.268 1.093 1.00 0.00 O ATOM 744 CB ALA A 50 -3.112 13.460 1.606 1.00 0.00 C ATOM 0 H ALA A 50 -2.819 12.293 3.763 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.114 13.314 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.423 13.770 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.888 14.342 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.221 12.836 1.531 1.00 0.00 H new ATOM 750 N ALA A 51 -3.646 10.588 1.194 1.00 0.00 N ATOM 751 CA ALA A 51 -3.877 9.373 0.431 1.00 0.00 C ATOM 752 C ALA A 51 -4.744 8.418 1.253 1.00 0.00 C ATOM 753 O ALA A 51 -5.192 7.389 0.749 1.00 0.00 O ATOM 754 CB ALA A 51 -2.535 8.753 0.041 1.00 0.00 C ATOM 0 H ALA A 51 -2.682 10.725 1.497 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.414 9.594 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.708 7.842 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.970 9.461 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.969 8.514 0.941 1.00 0.00 H new ATOM 760 N ASP A 52 -4.954 8.791 2.508 1.00 0.00 N ATOM 761 CA ASP A 52 -5.760 7.979 3.405 1.00 0.00 C ATOM 762 C ASP A 52 -7.242 8.239 3.129 1.00 0.00 C ATOM 763 O ASP A 52 -8.008 7.305 2.896 1.00 0.00 O ATOM 764 CB ASP A 52 -5.480 8.332 4.868 1.00 0.00 C ATOM 765 CG ASP A 52 -6.717 8.380 5.769 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.337 7.308 5.934 1.00 0.00 O ATOM 767 OD2 ASP A 52 -7.011 9.486 6.269 1.00 0.00 O ATOM 0 H ASP A 52 -4.580 9.644 2.924 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.507 6.933 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.780 7.602 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.985 9.302 4.904 1.00 0.00 H new ATOM 772 N VAL A 53 -7.603 9.514 3.167 1.00 0.00 N ATOM 773 CA VAL A 53 -8.979 9.911 2.924 1.00 0.00 C ATOM 774 C VAL A 53 -9.269 9.839 1.423 1.00 0.00 C ATOM 775 O VAL A 53 -10.398 9.565 1.019 1.00 0.00 O ATOM 776 CB VAL A 53 -9.239 11.295 3.519 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.650 11.781 3.185 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.999 11.298 5.029 1.00 0.00 C ATOM 0 H VAL A 53 -6.965 10.286 3.363 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.667 9.226 3.420 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.531 11.991 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.808 12.768 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.768 11.839 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.381 11.083 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.191 12.295 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.669 10.582 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.965 11.019 5.234 1.00 0.00 H new ATOM 788 N ASP A 54 -8.230 10.090 0.640 1.00 0.00 N ATOM 789 CA ASP A 54 -8.359 10.060 -0.806 1.00 0.00 C ATOM 790 C ASP A 54 -8.280 8.609 -1.290 1.00 0.00 C ATOM 791 O ASP A 54 -9.047 8.197 -2.157 1.00 0.00 O ATOM 792 CB ASP A 54 -7.230 10.845 -1.478 1.00 0.00 C ATOM 793 CG ASP A 54 -7.372 12.365 -1.410 1.00 0.00 C ATOM 794 OD1 ASP A 54 -7.133 12.909 -0.309 1.00 0.00 O ATOM 795 OD2 ASP A 54 -7.716 12.952 -2.459 1.00 0.00 O ATOM 0 H ASP A 54 -7.295 10.315 0.980 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.316 10.511 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.285 10.562 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.173 10.547 -2.525 1.00 0.00 H new ATOM 800 N GLY A 55 -7.343 7.875 -0.707 1.00 0.00 N ATOM 801 CA GLY A 55 -7.152 6.482 -1.067 1.00 0.00 C ATOM 802 C GLY A 55 -8.248 5.603 -0.460 1.00 0.00 C ATOM 803 O GLY A 55 -8.792 4.729 -1.133 1.00 0.00 O ATOM 0 H GLY A 55 -6.708 8.220 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.158 6.379 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.176 6.144 -0.720 1.00 0.00 H new ATOM 807 N ARG A 56 -8.539 5.866 0.806 1.00 0.00 N ATOM 808 CA ARG A 56 -9.562 5.113 1.510 1.00 0.00 C ATOM 809 C ARG A 56 -9.359 3.612 1.291 1.00 0.00 C ATOM 810 O ARG A 56 -10.322 2.879 1.066 1.00 0.00 O ATOM 811 CB ARG A 56 -10.962 5.505 1.039 1.00 0.00 C ATOM 812 CG ARG A 56 -11.234 4.980 -0.371 1.00 0.00 C ATOM 813 CD ARG A 56 -10.951 6.054 -1.423 1.00 0.00 C ATOM 814 NE ARG A 56 -12.210 6.731 -1.806 1.00 0.00 N ATOM 815 CZ ARG A 56 -12.374 7.428 -2.939 1.00 0.00 C ATOM 816 NH1 ARG A 56 -11.360 7.543 -3.807 1.00 0.00 N ATOM 817 NH2 ARG A 56 -13.553 8.010 -3.202 1.00 0.00 N ATOM 0 H ARG A 56 -8.084 6.590 1.362 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.472 5.346 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.706 5.107 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.063 6.590 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.612 4.106 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.272 4.656 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.242 6.782 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.490 5.602 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.003 6.663 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.464 7.100 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.485 8.073 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.324 7.922 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.679 8.541 -4.064 1.00 0.00 H new ATOM 831 N LEU A 57 -8.102 3.199 1.362 1.00 0.00 N ATOM 832 CA LEU A 57 -7.761 1.800 1.172 1.00 0.00 C ATOM 833 C LEU A 57 -8.314 0.983 2.342 1.00 0.00 C ATOM 834 O LEU A 57 -8.505 1.511 3.437 1.00 0.00 O ATOM 835 CB LEU A 57 -6.255 1.638 0.965 1.00 0.00 C ATOM 836 CG LEU A 57 -5.655 2.401 -0.217 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.130 2.472 -0.106 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.103 1.793 -1.547 1.00 0.00 C ATOM 0 H LEU A 57 -7.307 3.810 1.549 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.225 1.414 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.747 1.958 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.038 0.578 0.835 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.029 3.424 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.728 3.020 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.856 2.984 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.719 1.463 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.662 2.355 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.777 0.754 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.190 1.836 -1.619 1.00 0.00 H new ATOM 850 N ALA A 58 -8.552 -0.292 2.072 1.00 0.00 N ATOM 851 CA ALA A 58 -9.077 -1.187 3.089 1.00 0.00 C ATOM 852 C ALA A 58 -7.936 -1.639 4.003 1.00 0.00 C ATOM 853 O ALA A 58 -6.766 -1.505 3.652 1.00 0.00 O ATOM 854 CB ALA A 58 -9.786 -2.365 2.415 1.00 0.00 C ATOM 0 H ALA A 58 -8.391 -0.727 1.163 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.813 -0.675 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.180 -3.037 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.606 -1.993 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.078 -2.905 1.787 1.00 0.00 H new ATOM 860 N ALA A 59 -8.320 -2.165 5.157 1.00 0.00 N ATOM 861 CA ALA A 59 -7.344 -2.637 6.124 1.00 0.00 C ATOM 862 C ALA A 59 -7.286 -4.165 6.078 1.00 0.00 C ATOM 863 O ALA A 59 -8.270 -4.837 6.380 1.00 0.00 O ATOM 864 CB ALA A 59 -7.706 -2.109 7.514 1.00 0.00 C ATOM 0 H ALA A 59 -9.293 -2.275 5.444 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.350 -2.261 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.974 -2.463 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.706 -1.019 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.697 -2.468 7.793 1.00 0.00 H new ATOM 870 N GLY A 60 -6.119 -4.669 5.698 1.00 0.00 N ATOM 871 CA GLY A 60 -5.919 -6.105 5.609 1.00 0.00 C ATOM 872 C GLY A 60 -5.591 -6.526 4.175 1.00 0.00 C ATOM 873 O GLY A 60 -5.681 -7.703 3.833 1.00 0.00 O ATOM 0 H GLY A 60 -5.304 -4.108 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.109 -6.405 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.817 -6.622 5.947 1.00 0.00 H new ATOM 877 N ASP A 61 -5.217 -5.539 3.375 1.00 0.00 N ATOM 878 CA ASP A 61 -4.875 -5.791 1.985 1.00 0.00 C ATOM 879 C ASP A 61 -3.503 -6.464 1.916 1.00 0.00 C ATOM 880 O ASP A 61 -2.799 -6.553 2.921 1.00 0.00 O ATOM 881 CB ASP A 61 -4.801 -4.485 1.191 1.00 0.00 C ATOM 882 CG ASP A 61 -5.992 -3.544 1.380 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.123 -4.071 1.469 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.747 -2.321 1.430 1.00 0.00 O ATOM 0 H ASP A 61 -5.143 -4.563 3.662 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.648 -6.430 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.891 -3.956 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.712 -4.726 0.132 1.00 0.00 H new ATOM 889 N GLN A 62 -3.163 -6.923 0.721 1.00 0.00 N ATOM 890 CA GLN A 62 -1.888 -7.584 0.508 1.00 0.00 C ATOM 891 C GLN A 62 -1.070 -6.834 -0.544 1.00 0.00 C ATOM 892 O GLN A 62 -1.428 -6.821 -1.722 1.00 0.00 O ATOM 893 CB GLN A 62 -2.090 -9.046 0.105 1.00 0.00 C ATOM 894 CG GLN A 62 -0.747 -9.747 -0.111 1.00 0.00 C ATOM 895 CD GLN A 62 -0.915 -11.003 -0.970 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.671 -11.035 -1.928 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.171 -12.033 -0.575 1.00 0.00 N ATOM 0 H GLN A 62 -3.749 -6.850 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.334 -7.572 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.655 -9.565 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.682 -9.096 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.049 -9.063 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.314 -10.016 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.441 -11.939 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.213 -12.917 -1.083 1.00 0.00 H new ATOM 906 N LEU A 63 0.015 -6.229 -0.084 1.00 0.00 N ATOM 907 CA LEU A 63 0.888 -5.478 -0.971 1.00 0.00 C ATOM 908 C LEU A 63 1.943 -6.420 -1.557 1.00 0.00 C ATOM 909 O LEU A 63 2.336 -7.393 -0.915 1.00 0.00 O ATOM 910 CB LEU A 63 1.478 -4.269 -0.246 1.00 0.00 C ATOM 911 CG LEU A 63 2.662 -3.587 -0.932 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.261 -2.217 -1.487 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.862 -3.492 0.011 1.00 0.00 C ATOM 0 H LEU A 63 0.310 -6.243 0.892 1.00 0.00 H new ATOM 0 HA LEU A 63 0.322 -5.071 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.688 -3.531 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.793 -4.585 0.749 1.00 0.00 H new ATOM 0 HG LEU A 63 2.965 -4.202 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.122 -1.754 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.459 -2.340 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.916 -1.581 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.690 -3.003 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.587 -2.912 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.165 -4.494 0.316 1.00 0.00 H new ATOM 925 N LEU A 64 2.372 -6.094 -2.768 1.00 0.00 N ATOM 926 CA LEU A 64 3.376 -6.898 -3.446 1.00 0.00 C ATOM 927 C LEU A 64 4.330 -5.977 -4.209 1.00 0.00 C ATOM 928 O LEU A 64 5.520 -6.268 -4.322 1.00 0.00 O ATOM 929 CB LEU A 64 2.707 -7.957 -4.326 1.00 0.00 C ATOM 930 CG LEU A 64 1.315 -8.411 -3.887 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.254 -7.378 -4.270 1.00 0.00 C ATOM 932 CD2 LEU A 64 0.991 -9.800 -4.444 1.00 0.00 C ATOM 0 H LEU A 64 2.044 -5.286 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 64 3.976 -7.450 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.637 -7.566 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.357 -8.831 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 64 1.309 -8.490 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.727 -7.726 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.480 -6.428 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.252 -7.243 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.005 -10.100 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.022 -9.772 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.725 -10.519 -4.079 1.00 0.00 H new ATOM 944 N SER A 65 3.773 -4.886 -4.712 1.00 0.00 N ATOM 945 CA SER A 65 4.559 -3.921 -5.461 1.00 0.00 C ATOM 946 C SER A 65 4.607 -2.590 -4.710 1.00 0.00 C ATOM 947 O SER A 65 3.699 -2.273 -3.942 1.00 0.00 O ATOM 948 CB SER A 65 3.991 -3.718 -6.867 1.00 0.00 C ATOM 949 OG SER A 65 3.411 -4.912 -7.385 1.00 0.00 O ATOM 0 H SER A 65 2.786 -4.649 -4.616 1.00 0.00 H new ATOM 0 HA SER A 65 5.572 -4.311 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.239 -2.930 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.785 -3.381 -7.534 1.00 0.00 H new ATOM 0 HG SER A 65 3.035 -4.735 -8.272 1.00 0.00 H new ATOM 955 N VAL A 66 5.674 -1.844 -4.958 1.00 0.00 N ATOM 956 CA VAL A 66 5.852 -0.554 -4.315 1.00 0.00 C ATOM 957 C VAL A 66 6.087 0.515 -5.384 1.00 0.00 C ATOM 958 O VAL A 66 6.549 0.210 -6.481 1.00 0.00 O ATOM 959 CB VAL A 66 6.983 -0.633 -3.288 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.349 -0.557 -3.971 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.838 0.463 -2.227 1.00 0.00 C ATOM 0 H VAL A 66 6.424 -2.109 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 66 4.953 -0.273 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 66 6.913 -1.598 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.136 -0.615 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.453 -1.387 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.433 0.386 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.654 0.385 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.870 1.441 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.886 0.344 -1.709 1.00 0.00 H new ATOM 971 N ASP A 67 5.759 1.749 -5.024 1.00 0.00 N ATOM 972 CA ASP A 67 5.929 2.864 -5.938 1.00 0.00 C ATOM 973 C ASP A 67 7.421 3.081 -6.200 1.00 0.00 C ATOM 974 O ASP A 67 8.194 3.295 -5.267 1.00 0.00 O ATOM 975 CB ASP A 67 5.361 4.155 -5.344 1.00 0.00 C ATOM 976 CG ASP A 67 5.462 5.384 -6.249 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.323 5.351 -7.155 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.678 6.328 -6.014 1.00 0.00 O ATOM 0 H ASP A 67 5.377 1.999 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 67 5.399 2.627 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.313 3.992 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.881 4.367 -4.410 1.00 0.00 H new ATOM 983 N GLY A 68 7.780 3.019 -7.474 1.00 0.00 N ATOM 984 CA GLY A 68 9.165 3.206 -7.870 1.00 0.00 C ATOM 985 C GLY A 68 9.859 1.860 -8.091 1.00 0.00 C ATOM 986 O GLY A 68 10.838 1.776 -8.831 1.00 0.00 O ATOM 0 H GLY A 68 7.136 2.842 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.209 3.796 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.694 3.770 -7.102 1.00 0.00 H new ATOM 990 N ARG A 69 9.324 0.840 -7.436 1.00 0.00 N ATOM 991 CA ARG A 69 9.880 -0.497 -7.551 1.00 0.00 C ATOM 992 C ARG A 69 8.756 -1.532 -7.636 1.00 0.00 C ATOM 993 O ARG A 69 7.954 -1.661 -6.712 1.00 0.00 O ATOM 994 CB ARG A 69 10.777 -0.826 -6.357 1.00 0.00 C ATOM 995 CG ARG A 69 11.960 0.140 -6.278 1.00 0.00 C ATOM 996 CD ARG A 69 12.779 -0.099 -5.008 1.00 0.00 C ATOM 997 NE ARG A 69 13.853 -1.082 -5.277 1.00 0.00 N ATOM 998 CZ ARG A 69 14.989 -0.795 -5.927 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.206 0.447 -6.381 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.907 -1.751 -6.124 1.00 0.00 N ATOM 0 H ARG A 69 8.511 0.913 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 69 10.480 -0.530 -8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.197 -0.772 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.143 -1.849 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.596 0.014 -7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.597 1.168 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.212 0.840 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.131 -0.464 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 69 13.720 -2.038 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.506 1.174 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.071 0.665 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.741 -2.696 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.772 -1.533 -6.619 1.00 0.00 H new ATOM 1014 N SER A 70 8.732 -2.244 -8.753 1.00 0.00 N ATOM 1015 CA SER A 70 7.721 -3.263 -8.971 1.00 0.00 C ATOM 1016 C SER A 70 8.078 -4.530 -8.191 1.00 0.00 C ATOM 1017 O SER A 70 8.541 -5.511 -8.774 1.00 0.00 O ATOM 1018 CB SER A 70 7.569 -3.581 -10.460 1.00 0.00 C ATOM 1019 OG SER A 70 8.118 -2.554 -11.284 1.00 0.00 O ATOM 0 H SER A 70 9.398 -2.135 -9.518 1.00 0.00 H new ATOM 0 HA SER A 70 6.767 -2.879 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.064 -4.527 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.513 -3.711 -10.697 1.00 0.00 H new ATOM 0 HG SER A 70 8.003 -2.795 -12.227 1.00 0.00 H new ATOM 1025 N LEU A 71 7.852 -4.470 -6.889 1.00 0.00 N ATOM 1026 CA LEU A 71 8.146 -5.600 -6.024 1.00 0.00 C ATOM 1027 C LEU A 71 7.420 -6.841 -6.550 1.00 0.00 C ATOM 1028 O LEU A 71 8.046 -7.867 -6.812 1.00 0.00 O ATOM 1029 CB LEU A 71 7.810 -5.263 -4.571 1.00 0.00 C ATOM 1030 CG LEU A 71 8.697 -4.209 -3.904 1.00 0.00 C ATOM 1031 CD1 LEU A 71 8.086 -3.731 -2.586 1.00 0.00 C ATOM 1032 CD2 LEU A 71 10.123 -4.731 -3.718 1.00 0.00 C ATOM 0 H LEU A 71 7.468 -3.655 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 71 9.213 -5.823 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.777 -4.919 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.865 -6.180 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 71 8.754 -3.344 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.737 -2.983 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.107 -3.292 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.979 -4.577 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.732 -3.963 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.105 -5.621 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.548 -4.981 -4.690 1.00 0.00 H new ATOM 1044 N VAL A 72 6.109 -6.707 -6.691 1.00 0.00 N ATOM 1045 CA VAL A 72 5.292 -7.802 -7.182 1.00 0.00 C ATOM 1046 C VAL A 72 5.068 -8.811 -6.053 1.00 0.00 C ATOM 1047 O VAL A 72 4.275 -9.740 -6.194 1.00 0.00 O ATOM 1048 CB VAL A 72 5.941 -8.425 -8.420 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.806 -7.403 -9.158 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.757 -9.664 -8.046 1.00 0.00 C ATOM 0 H VAL A 72 5.593 -5.855 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 72 4.313 -7.438 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 72 5.144 -8.739 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.255 -7.871 -10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.187 -6.563 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.593 -7.045 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.208 -10.088 -8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.542 -9.384 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.104 -10.404 -7.584 1.00 0.00 H new ATOM 1060 N GLY A 73 5.781 -8.592 -4.957 1.00 0.00 N ATOM 1061 CA GLY A 73 5.670 -9.470 -3.805 1.00 0.00 C ATOM 1062 C GLY A 73 7.003 -9.566 -3.059 1.00 0.00 C ATOM 1063 O GLY A 73 7.512 -10.662 -2.831 1.00 0.00 O ATOM 0 H GLY A 73 6.437 -7.819 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.898 -9.097 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.358 -10.463 -4.129 1.00 0.00 H new ATOM 1067 N LEU A 74 7.529 -8.403 -2.700 1.00 0.00 N ATOM 1068 CA LEU A 74 8.792 -8.344 -1.985 1.00 0.00 C ATOM 1069 C LEU A 74 8.561 -7.735 -0.601 1.00 0.00 C ATOM 1070 O LEU A 74 7.460 -7.284 -0.293 1.00 0.00 O ATOM 1071 CB LEU A 74 9.843 -7.604 -2.815 1.00 0.00 C ATOM 1072 CG LEU A 74 10.644 -8.459 -3.799 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.723 -7.627 -4.497 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.228 -9.690 -3.107 1.00 0.00 C ATOM 0 H LEU A 74 7.104 -7.496 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 74 9.190 -9.347 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.344 -6.813 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.542 -7.120 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 74 9.964 -8.817 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.278 -8.259 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.254 -6.810 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.406 -7.219 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.792 -10.280 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.890 -9.374 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.419 -10.295 -2.697 1.00 0.00 H new ATOM 1086 N SER A 75 9.618 -7.741 0.198 1.00 0.00 N ATOM 1087 CA SER A 75 9.546 -7.196 1.542 1.00 0.00 C ATOM 1088 C SER A 75 9.456 -5.669 1.483 1.00 0.00 C ATOM 1089 O SER A 75 9.676 -5.071 0.430 1.00 0.00 O ATOM 1090 CB SER A 75 10.753 -7.624 2.378 1.00 0.00 C ATOM 1091 OG SER A 75 10.460 -8.750 3.201 1.00 0.00 O ATOM 0 H SER A 75 10.531 -8.116 -0.061 1.00 0.00 H new ATOM 0 HA SER A 75 8.650 -7.589 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.585 -7.865 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.074 -6.791 3.004 1.00 0.00 H new ATOM 0 HG SER A 75 11.256 -8.994 3.718 1.00 0.00 H new ATOM 1097 N GLN A 76 9.131 -5.082 2.625 1.00 0.00 N ATOM 1098 CA GLN A 76 9.009 -3.636 2.716 1.00 0.00 C ATOM 1099 C GLN A 76 10.394 -2.986 2.712 1.00 0.00 C ATOM 1100 O GLN A 76 10.512 -1.770 2.573 1.00 0.00 O ATOM 1101 CB GLN A 76 8.216 -3.231 3.960 1.00 0.00 C ATOM 1102 CG GLN A 76 6.756 -2.939 3.607 1.00 0.00 C ATOM 1103 CD GLN A 76 6.582 -1.489 3.150 1.00 0.00 C ATOM 1104 OE1 GLN A 76 6.344 -1.203 1.988 1.00 0.00 O ATOM 1105 NE2 GLN A 76 6.710 -0.595 4.126 1.00 0.00 N ATOM 0 H GLN A 76 8.948 -5.581 3.496 1.00 0.00 H new ATOM 0 HA GLN A 76 8.460 -3.281 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.262 -4.029 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.668 -2.349 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.427 -3.615 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.123 -3.129 4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.910 -0.904 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.609 0.399 3.923 1.00 0.00 H new ATOM 1114 N GLU A 77 11.407 -3.825 2.867 1.00 0.00 N ATOM 1115 CA GLU A 77 12.779 -3.348 2.883 1.00 0.00 C ATOM 1116 C GLU A 77 12.968 -2.240 1.844 1.00 0.00 C ATOM 1117 O GLU A 77 13.126 -1.073 2.197 1.00 0.00 O ATOM 1118 CB GLU A 77 13.763 -4.497 2.645 1.00 0.00 C ATOM 1119 CG GLU A 77 13.435 -5.692 3.542 1.00 0.00 C ATOM 1120 CD GLU A 77 14.678 -6.165 4.300 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.524 -6.818 3.653 1.00 0.00 O ATOM 1122 OE2 GLU A 77 14.752 -5.862 5.511 1.00 0.00 O ATOM 0 H GLU A 77 11.305 -4.833 2.983 1.00 0.00 H new ATOM 0 HA GLU A 77 12.987 -2.934 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.726 -4.802 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.780 -4.157 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.655 -5.416 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.041 -6.508 2.937 1.00 0.00 H new ATOM 1129 N ARG A 78 12.945 -2.647 0.583 1.00 0.00 N ATOM 1130 CA ARG A 78 13.110 -1.703 -0.510 1.00 0.00 C ATOM 1131 C ARG A 78 12.012 -0.639 -0.465 1.00 0.00 C ATOM 1132 O ARG A 78 12.301 0.557 -0.454 1.00 0.00 O ATOM 1133 CB ARG A 78 13.065 -2.414 -1.864 1.00 0.00 C ATOM 1134 CG ARG A 78 14.198 -3.437 -1.984 1.00 0.00 C ATOM 1135 CD ARG A 78 13.644 -4.857 -2.117 1.00 0.00 C ATOM 1136 NE ARG A 78 14.740 -5.842 -1.981 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.661 -6.076 -2.926 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.624 -5.396 -4.080 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.620 -6.988 -2.715 1.00 0.00 N ATOM 0 H ARG A 78 12.815 -3.616 0.294 1.00 0.00 H new ATOM 0 HA ARG A 78 14.085 -1.229 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.104 -2.914 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.145 -1.681 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.815 -3.201 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.843 -3.375 -1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.888 -5.034 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.154 -4.976 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 78 14.798 -6.376 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.895 -4.701 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.325 -5.574 -4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.649 -7.504 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.321 -7.166 -3.434 1.00 0.00 H new ATOM 1153 N ALA A 79 10.775 -1.112 -0.437 1.00 0.00 N ATOM 1154 CA ALA A 79 9.631 -0.216 -0.394 1.00 0.00 C ATOM 1155 C ALA A 79 9.828 0.798 0.733 1.00 0.00 C ATOM 1156 O ALA A 79 10.341 1.893 0.508 1.00 0.00 O ATOM 1157 CB ALA A 79 8.349 -1.033 -0.227 1.00 0.00 C ATOM 0 H ALA A 79 10.539 -2.104 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 79 9.542 0.341 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.491 -0.361 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.242 -1.718 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.399 -1.603 0.701 1.00 0.00 H new ATOM 1163 N ALA A 80 9.407 0.399 1.926 1.00 0.00 N ATOM 1164 CA ALA A 80 9.532 1.259 3.091 1.00 0.00 C ATOM 1165 C ALA A 80 10.128 2.603 2.666 1.00 0.00 C ATOM 1166 O ALA A 80 9.401 3.579 2.485 1.00 0.00 O ATOM 1167 CB ALA A 80 10.375 0.557 4.157 1.00 0.00 C ATOM 0 H ALA A 80 8.979 -0.508 2.110 1.00 0.00 H new ATOM 0 HA ALA A 80 8.554 1.456 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.468 1.202 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.892 -0.377 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.366 0.344 3.756 1.00 0.00 H new ATOM 1173 N GLU A 81 11.445 2.610 2.521 1.00 0.00 N ATOM 1174 CA GLU A 81 12.147 3.818 2.121 1.00 0.00 C ATOM 1175 C GLU A 81 11.527 4.394 0.848 1.00 0.00 C ATOM 1176 O GLU A 81 10.858 5.426 0.889 1.00 0.00 O ATOM 1177 CB GLU A 81 13.640 3.546 1.930 1.00 0.00 C ATOM 1178 CG GLU A 81 14.370 4.805 1.458 1.00 0.00 C ATOM 1179 CD GLU A 81 15.848 4.762 1.855 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.107 4.575 3.062 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.685 4.916 0.939 1.00 0.00 O ATOM 0 H GLU A 81 12.044 1.799 2.673 1.00 0.00 H new ATOM 0 HA GLU A 81 12.045 4.556 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.073 3.200 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.778 2.747 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.283 4.896 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.899 5.687 1.891 1.00 0.00 H new ATOM 1188 N LEU A 82 11.770 3.703 -0.256 1.00 0.00 N ATOM 1189 CA LEU A 82 11.244 4.134 -1.540 1.00 0.00 C ATOM 1190 C LEU A 82 9.728 3.926 -1.562 1.00 0.00 C ATOM 1191 O LEU A 82 9.124 3.854 -2.630 1.00 0.00 O ATOM 1192 CB LEU A 82 11.977 3.429 -2.683 1.00 0.00 C ATOM 1193 CG LEU A 82 12.048 4.193 -4.008 1.00 0.00 C ATOM 1194 CD1 LEU A 82 10.771 4.999 -4.245 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.300 5.073 -4.066 1.00 0.00 C ATOM 0 H LEU A 82 12.324 2.847 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 82 11.422 5.199 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.994 3.212 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.489 2.471 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 82 12.125 3.467 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.848 5.532 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.915 4.324 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.638 5.716 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.327 5.605 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.277 5.793 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.188 4.448 -3.974 1.00 0.00 H new ATOM 1207 N MET A 83 9.159 3.836 -0.369 1.00 0.00 N ATOM 1208 CA MET A 83 7.725 3.639 -0.238 1.00 0.00 C ATOM 1209 C MET A 83 7.088 4.770 0.574 1.00 0.00 C ATOM 1210 O MET A 83 5.923 5.104 0.369 1.00 0.00 O ATOM 1211 CB MET A 83 7.457 2.300 0.453 1.00 0.00 C ATOM 1212 CG MET A 83 6.020 2.233 0.976 1.00 0.00 C ATOM 1213 SD MET A 83 4.919 1.713 -0.328 1.00 0.00 S ATOM 1214 CE MET A 83 3.555 1.096 0.644 1.00 0.00 C ATOM 0 H MET A 83 9.664 3.896 0.515 1.00 0.00 H new ATOM 0 HA MET A 83 7.283 3.640 -1.234 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.632 1.483 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.155 2.166 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.961 1.536 1.812 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.715 3.210 1.352 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.441 0.025 0.473 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.751 1.276 1.701 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.639 1.609 0.352 1.00 0.00 H new ATOM 1224 N THR A 84 7.881 5.325 1.478 1.00 0.00 N ATOM 1225 CA THR A 84 7.410 6.410 2.321 1.00 0.00 C ATOM 1226 C THR A 84 7.678 7.760 1.653 1.00 0.00 C ATOM 1227 O THR A 84 6.772 8.581 1.514 1.00 0.00 O ATOM 1228 CB THR A 84 8.074 6.268 3.691 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.195 4.860 3.873 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.160 6.714 4.834 1.00 0.00 C ATOM 0 H THR A 84 8.847 5.043 1.645 1.00 0.00 H new ATOM 0 HA THR A 84 6.330 6.361 2.461 1.00 0.00 H new ATOM 0 HB THR A 84 8.993 6.854 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.054 4.556 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.680 6.593 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.892 7.762 4.698 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.256 6.106 4.835 1.00 0.00 H new ATOM 1238 N ARG A 85 8.929 7.950 1.256 1.00 0.00 N ATOM 1239 CA ARG A 85 9.328 9.186 0.606 1.00 0.00 C ATOM 1240 C ARG A 85 8.605 9.339 -0.733 1.00 0.00 C ATOM 1241 O ARG A 85 9.230 9.282 -1.791 1.00 0.00 O ATOM 1242 CB ARG A 85 10.841 9.220 0.369 1.00 0.00 C ATOM 1243 CG ARG A 85 11.423 10.583 0.743 1.00 0.00 C ATOM 1244 CD ARG A 85 12.689 10.878 -0.064 1.00 0.00 C ATOM 1245 NE ARG A 85 13.503 11.903 0.627 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.486 12.601 0.041 1.00 0.00 C ATOM 1247 NH1 ARG A 85 14.785 12.388 -1.246 1.00 0.00 N ATOM 1248 NH2 ARG A 85 15.171 13.513 0.746 1.00 0.00 N ATOM 0 H ARG A 85 9.679 7.268 1.372 1.00 0.00 H new ATOM 0 HA ARG A 85 9.056 10.010 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.323 8.440 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.054 9.005 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.682 11.361 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.653 10.604 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.270 9.965 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.421 11.226 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 85 13.304 12.090 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.265 11.694 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.533 12.920 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.944 13.675 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.919 14.045 0.301 1.00 0.00 H new ATOM 1262 N THR A 86 7.297 9.531 -0.646 1.00 0.00 N ATOM 1263 CA THR A 86 6.482 9.694 -1.836 1.00 0.00 C ATOM 1264 C THR A 86 6.520 11.147 -2.314 1.00 0.00 C ATOM 1265 O THR A 86 6.788 11.411 -3.486 1.00 0.00 O ATOM 1266 CB THR A 86 5.071 9.197 -1.515 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.876 8.105 -2.411 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.990 10.203 -1.914 1.00 0.00 C ATOM 0 H THR A 86 6.781 9.577 0.233 1.00 0.00 H new ATOM 0 HA THR A 86 6.870 9.102 -2.665 1.00 0.00 H new ATOM 0 HB THR A 86 4.995 8.987 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.784 8.445 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.008 9.800 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.146 11.138 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.044 10.389 -2.987 1.00 0.00 H new ATOM 1276 N SER A 87 6.248 12.050 -1.384 1.00 0.00 N ATOM 1277 CA SER A 87 6.247 13.468 -1.697 1.00 0.00 C ATOM 1278 C SER A 87 5.737 13.691 -3.121 1.00 0.00 C ATOM 1279 O SER A 87 6.438 14.264 -3.955 1.00 0.00 O ATOM 1280 CB SER A 87 7.646 14.069 -1.535 1.00 0.00 C ATOM 1281 OG SER A 87 7.815 14.690 -0.263 1.00 0.00 O ATOM 0 H SER A 87 6.027 11.827 -0.414 1.00 0.00 H new ATOM 0 HA SER A 87 5.580 13.971 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.394 13.286 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.819 14.802 -2.323 1.00 0.00 H new ATOM 0 HG SER A 87 8.720 15.060 -0.197 1.00 0.00 H new ATOM 1287 N SER A 88 4.518 13.227 -3.359 1.00 0.00 N ATOM 1288 CA SER A 88 3.906 13.367 -4.669 1.00 0.00 C ATOM 1289 C SER A 88 2.748 12.378 -4.815 1.00 0.00 C ATOM 1290 O SER A 88 1.594 12.784 -4.944 1.00 0.00 O ATOM 1291 CB SER A 88 4.932 13.149 -5.783 1.00 0.00 C ATOM 1292 OG SER A 88 5.438 14.381 -6.292 1.00 0.00 O ATOM 0 H SER A 88 3.938 12.754 -2.666 1.00 0.00 H new ATOM 0 HA SER A 88 3.522 14.383 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.758 12.547 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.472 12.583 -6.594 1.00 0.00 H new ATOM 0 HG SER A 88 6.028 14.792 -5.626 1.00 0.00 H new ATOM 1298 N VAL A 89 3.096 11.099 -4.787 1.00 0.00 N ATOM 1299 CA VAL A 89 2.099 10.050 -4.913 1.00 0.00 C ATOM 1300 C VAL A 89 2.704 8.721 -4.458 1.00 0.00 C ATOM 1301 O VAL A 89 3.915 8.521 -4.549 1.00 0.00 O ATOM 1302 CB VAL A 89 1.566 10.006 -6.348 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.684 9.682 -7.337 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.414 9.005 -6.472 1.00 0.00 C ATOM 0 H VAL A 89 4.054 10.766 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 89 1.244 10.255 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 89 1.179 10.995 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.279 9.657 -8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.458 10.447 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.114 8.710 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.052 8.992 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.765 8.010 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.397 9.299 -5.806 1.00 0.00 H new ATOM 1314 N VAL A 90 1.834 7.844 -3.978 1.00 0.00 N ATOM 1315 CA VAL A 90 2.268 6.539 -3.510 1.00 0.00 C ATOM 1316 C VAL A 90 1.550 5.450 -4.310 1.00 0.00 C ATOM 1317 O VAL A 90 0.436 5.055 -3.966 1.00 0.00 O ATOM 1318 CB VAL A 90 2.038 6.423 -2.001 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.366 6.435 -1.242 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.111 7.531 -1.500 1.00 0.00 C ATOM 0 H VAL A 90 0.831 8.012 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 90 3.338 6.410 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 90 1.551 5.467 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.174 6.351 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.979 5.594 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.892 7.368 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.965 7.425 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.558 8.502 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.149 7.457 -2.006 1.00 0.00 H new ATOM 1330 N THR A 91 2.216 4.996 -5.361 1.00 0.00 N ATOM 1331 CA THR A 91 1.656 3.961 -6.211 1.00 0.00 C ATOM 1332 C THR A 91 2.148 2.581 -5.768 1.00 0.00 C ATOM 1333 O THR A 91 3.296 2.217 -6.021 1.00 0.00 O ATOM 1334 CB THR A 91 2.011 4.296 -7.660 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.367 4.731 -7.595 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.252 5.518 -8.181 1.00 0.00 C ATOM 0 H THR A 91 3.139 5.327 -5.643 1.00 0.00 H new ATOM 0 HA THR A 91 0.570 3.926 -6.127 1.00 0.00 H new ATOM 0 HB THR A 91 1.794 3.436 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.958 4.004 -7.882 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.541 5.713 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.180 5.328 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.494 6.386 -7.567 1.00 0.00 H new ATOM 1344 N LEU A 92 1.257 1.851 -5.115 1.00 0.00 N ATOM 1345 CA LEU A 92 1.586 0.520 -4.635 1.00 0.00 C ATOM 1346 C LEU A 92 0.621 -0.493 -5.253 1.00 0.00 C ATOM 1347 O LEU A 92 -0.394 -0.116 -5.834 1.00 0.00 O ATOM 1348 CB LEU A 92 1.610 0.493 -3.105 1.00 0.00 C ATOM 1349 CG LEU A 92 2.105 1.767 -2.419 1.00 0.00 C ATOM 1350 CD1 LEU A 92 3.217 2.431 -3.234 1.00 0.00 C ATOM 1351 CD2 LEU A 92 0.946 2.728 -2.141 1.00 0.00 C ATOM 0 H LEU A 92 0.306 2.156 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 92 2.590 0.238 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.602 0.281 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.241 -0.336 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 92 2.532 1.491 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.551 3.335 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.055 1.741 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.838 2.691 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.326 3.625 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.467 3.002 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.218 2.242 -1.491 1.00 0.00 H new ATOM 1363 N GLU A 93 0.973 -1.762 -5.105 1.00 0.00 N ATOM 1364 CA GLU A 93 0.151 -2.833 -5.642 1.00 0.00 C ATOM 1365 C GLU A 93 -0.385 -3.710 -4.508 1.00 0.00 C ATOM 1366 O GLU A 93 0.376 -4.417 -3.851 1.00 0.00 O ATOM 1367 CB GLU A 93 0.935 -3.671 -6.656 1.00 0.00 C ATOM 1368 CG GLU A 93 0.035 -4.719 -7.315 1.00 0.00 C ATOM 1369 CD GLU A 93 0.829 -5.586 -8.295 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.548 -4.988 -9.124 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.697 -6.824 -8.192 1.00 0.00 O ATOM 0 H GLU A 93 1.816 -2.072 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.696 -2.387 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.360 -3.020 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.769 -4.165 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.416 -5.350 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.781 -4.224 -7.841 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.694 -3.633 -4.315 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.343 -4.410 -3.273 1.00 0.00 C ATOM 1380 C VAL A 94 -3.235 -5.475 -3.915 1.00 0.00 C ATOM 1381 O VAL A 94 -3.536 -5.401 -5.106 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.108 -3.480 -2.327 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.189 -2.395 -1.763 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.321 -2.864 -3.027 1.00 0.00 C ATOM 0 H VAL A 94 -2.322 -3.045 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.601 -4.931 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.472 -4.077 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.757 -1.748 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.373 -2.861 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.781 -1.802 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.847 -2.208 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.989 -2.288 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.993 -3.657 -3.356 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.633 -6.439 -3.098 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.483 -7.517 -3.572 1.00 0.00 C ATOM 1396 C ALA A 95 -5.347 -8.025 -2.416 1.00 0.00 C ATOM 1397 O ALA A 95 -4.939 -7.962 -1.257 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.618 -8.622 -4.181 1.00 0.00 C ATOM 0 H ALA A 95 -3.382 -6.496 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.153 -7.160 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.257 -9.430 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.046 -8.218 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.933 -9.006 -3.425 1.00 0.00 H new