USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00761) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -130:sc= -0.0587 (180deg=-0.885) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -3.52 (180deg=-4) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 17 GLN : amide:sc= -0.255 K(o=-0.26,f=-0.99) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.45 F(o=-2.6!,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= -3.04! (180deg=-3.18!) USER MOD Single : A 24 SER OG : rot -68:sc= 0.0347 USER MOD Single : A 26 THR OG1 : rot -103:sc= -1.42 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 41:sc= 0.671 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.221) USER MOD Single : A 54 THR OG1 : rot 63:sc= 0.146 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.74! C(o=-4.2!,f=-1.7!) USER MOD Single : A 73 ASN : amide:sc=-0.00613 X(o=-0.0061,f=-0.084) USER MOD Single : A 80 ASN : amide:sc= -0.692! C(o=-0.69!,f=-12!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.149 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 161:sc= -2.21 (180deg=-2.73!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -84:sc= 1.21 USER MOD Single : A 90 GLN : amide:sc= -0.0567 K(o=-0.057,f=-1.5!) USER MOD Single : A 92 SER OG : rot -10:sc= 0.636! USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.303 -5.060 -14.318 1.00 0.00 N ATOM 160 CA LYS A 14 -17.267 -4.086 -13.994 1.00 0.00 C ATOM 161 C LYS A 14 -16.081 -4.217 -14.944 1.00 0.00 C ATOM 162 O LYS A 14 -15.984 -5.182 -15.703 1.00 0.00 O ATOM 163 CB LYS A 14 -16.799 -4.270 -12.549 1.00 0.00 C ATOM 164 CG LYS A 14 -17.912 -4.127 -11.526 1.00 0.00 C ATOM 165 CD LYS A 14 -18.072 -2.686 -11.073 1.00 0.00 C ATOM 166 CE LYS A 14 -17.198 -2.380 -9.867 1.00 0.00 C ATOM 167 NZ LYS A 14 -15.749 -2.421 -10.208 1.00 0.00 N ATOM 0 HA LYS A 14 -17.693 -3.089 -14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.346 -5.256 -12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.021 -3.538 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.849 -4.480 -11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.698 -4.759 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.812 -2.015 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -19.116 -2.496 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.451 -1.395 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.406 -3.100 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.202 -1.953 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.441 -3.410 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.591 -1.928 -11.110 1.00 0.00 H new ATOM 181 N VAL A 15 -15.180 -3.241 -14.897 1.00 0.00 N ATOM 182 CA VAL A 15 -13.998 -3.249 -15.751 1.00 0.00 C ATOM 183 C VAL A 15 -12.744 -2.899 -14.959 1.00 0.00 C ATOM 184 O VAL A 15 -12.788 -2.092 -14.029 1.00 0.00 O ATOM 185 CB VAL A 15 -14.146 -2.259 -16.922 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.187 -2.756 -17.913 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.507 -0.874 -16.406 1.00 0.00 C ATOM 0 H VAL A 15 -15.246 -2.434 -14.276 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.902 -4.259 -16.148 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.190 -2.191 -17.440 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.278 -2.044 -18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.881 -3.725 -18.306 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.149 -2.855 -17.411 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.608 -0.187 -17.247 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.450 -0.923 -15.862 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.722 -0.518 -15.739 1.00 0.00 H new ATOM 197 N THR A 16 -11.624 -3.510 -15.332 1.00 0.00 N ATOM 198 CA THR A 16 -10.357 -3.263 -14.657 1.00 0.00 C ATOM 199 C THR A 16 -9.612 -2.096 -15.294 1.00 0.00 C ATOM 200 O THR A 16 -9.548 -1.984 -16.518 1.00 0.00 O ATOM 201 CB THR A 16 -9.453 -4.511 -14.684 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.584 -5.182 -15.943 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.813 -5.465 -13.555 1.00 0.00 C ATOM 0 H THR A 16 -11.569 -4.180 -16.099 1.00 0.00 H new ATOM 0 HA THR A 16 -10.594 -3.017 -13.622 1.00 0.00 H new ATOM 0 HB THR A 16 -8.421 -4.188 -14.550 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.006 -5.973 -15.954 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.162 -6.338 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.685 -4.960 -12.597 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.851 -5.781 -13.663 1.00 0.00 H new ATOM 211 N GLN A 17 -9.050 -1.231 -14.456 1.00 0.00 N ATOM 212 CA GLN A 17 -8.309 -0.072 -14.939 1.00 0.00 C ATOM 213 C GLN A 17 -7.024 0.124 -14.142 1.00 0.00 C ATOM 214 O GLN A 17 -7.040 0.131 -12.911 1.00 0.00 O ATOM 215 CB GLN A 17 -9.175 1.187 -14.851 1.00 0.00 C ATOM 216 CG GLN A 17 -9.264 1.767 -13.449 1.00 0.00 C ATOM 217 CD GLN A 17 -10.040 3.068 -13.404 1.00 0.00 C ATOM 218 OE1 GLN A 17 -10.518 3.555 -14.429 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.170 3.639 -12.212 1.00 0.00 N ATOM 0 H GLN A 17 -9.094 -1.311 -13.440 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.045 -0.251 -15.981 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.771 1.944 -15.523 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.180 0.952 -15.203 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.740 1.041 -12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.258 1.935 -13.065 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.757 3.200 -11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.682 4.516 -12.120 1.00 0.00 H new ATOM 228 N SER A 18 -5.911 0.283 -14.852 1.00 0.00 N ATOM 229 CA SER A 18 -4.616 0.474 -14.210 1.00 0.00 C ATOM 230 C SER A 18 -4.185 1.936 -14.281 1.00 0.00 C ATOM 231 O SER A 18 -4.225 2.555 -15.345 1.00 0.00 O ATOM 232 CB SER A 18 -3.559 -0.413 -14.871 1.00 0.00 C ATOM 233 OG SER A 18 -3.266 0.034 -16.183 1.00 0.00 O ATOM 0 H SER A 18 -5.881 0.283 -15.872 1.00 0.00 H new ATOM 0 HA SER A 18 -4.713 0.192 -13.162 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.649 -0.409 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.914 -1.443 -14.905 1.00 0.00 H new ATOM 0 HG SER A 18 -2.587 -0.548 -16.583 1.00 0.00 H new ATOM 239 N ILE A 19 -3.775 2.482 -13.141 1.00 0.00 N ATOM 240 CA ILE A 19 -3.336 3.870 -13.074 1.00 0.00 C ATOM 241 C ILE A 19 -1.831 3.960 -12.841 1.00 0.00 C ATOM 242 O ILE A 19 -1.322 3.503 -11.817 1.00 0.00 O ATOM 243 CB ILE A 19 -4.064 4.637 -11.954 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.576 4.606 -12.185 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.563 6.071 -11.882 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.264 3.430 -11.529 1.00 0.00 C ATOM 0 H ILE A 19 -3.738 1.984 -12.251 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.581 4.325 -14.034 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.851 4.150 -11.002 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.012 5.530 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.771 4.579 -13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.087 6.600 -11.086 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.493 6.073 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.750 6.570 -12.833 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.334 3.473 -11.735 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.855 2.501 -11.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.100 3.467 -10.452 1.00 0.00 H new ATOM 258 N HIS A 20 -1.125 4.554 -13.797 1.00 0.00 N ATOM 259 CA HIS A 20 0.322 4.707 -13.695 1.00 0.00 C ATOM 260 C HIS A 20 0.687 6.091 -13.165 1.00 0.00 C ATOM 261 O HIS A 20 0.516 7.095 -13.856 1.00 0.00 O ATOM 262 CB HIS A 20 0.977 4.482 -15.058 1.00 0.00 C ATOM 263 CG HIS A 20 0.809 5.633 -16.001 1.00 0.00 C ATOM 264 ND1 HIS A 20 1.564 6.741 -16.189 1.00 0.00 N flip ATOM 265 CD2 HIS A 20 -0.240 5.731 -16.891 1.00 0.00 C flip ATOM 266 CE1 HIS A 20 0.964 7.480 -17.179 1.00 0.00 C flip ATOM 267 NE2 HIS A 20 -0.122 6.848 -17.586 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.531 4.937 -14.651 1.00 0.00 H new ATOM 0 HA HIS A 20 0.693 3.959 -12.994 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.041 4.294 -14.914 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.553 3.586 -15.512 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.419 6.982 -15.688 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.034 5.007 -17.002 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.322 8.424 -17.562 1.00 0.00 H new ATOM 276 N ILE A 21 1.188 6.135 -11.935 1.00 0.00 N ATOM 277 CA ILE A 21 1.576 7.395 -11.314 1.00 0.00 C ATOM 278 C ILE A 21 3.081 7.616 -11.414 1.00 0.00 C ATOM 279 O ILE A 21 3.865 6.673 -11.317 1.00 0.00 O ATOM 280 CB ILE A 21 1.158 7.444 -9.832 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.281 6.950 -9.669 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.304 8.857 -9.287 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.684 6.728 -8.228 1.00 0.00 C ATOM 0 H ILE A 21 1.335 5.313 -11.349 1.00 0.00 H new ATOM 0 HA ILE A 21 1.058 8.187 -11.855 1.00 0.00 H new ATOM 0 HB ILE A 21 1.815 6.786 -9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.959 7.675 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.401 6.017 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.005 8.875 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.343 9.175 -9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.669 9.534 -9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.716 6.378 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.030 5.981 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.597 7.665 -7.677 1.00 0.00 H new ATOM 295 N GLU A 22 3.478 8.871 -11.606 1.00 0.00 N ATOM 296 CA GLU A 22 4.890 9.216 -11.717 1.00 0.00 C ATOM 297 C GLU A 22 5.171 10.573 -11.079 1.00 0.00 C ATOM 298 O GLU A 22 4.687 11.604 -11.548 1.00 0.00 O ATOM 299 CB GLU A 22 5.320 9.232 -13.186 1.00 0.00 C ATOM 300 CG GLU A 22 5.253 7.869 -13.854 1.00 0.00 C ATOM 301 CD GLU A 22 5.187 7.963 -15.366 1.00 0.00 C ATOM 302 OE1 GLU A 22 4.169 8.465 -15.886 1.00 0.00 O ATOM 303 OE2 GLU A 22 6.155 7.535 -16.029 1.00 0.00 O ATOM 0 H GLU A 22 2.842 9.664 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 22 5.465 8.458 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.685 9.928 -13.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.340 9.611 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.128 7.285 -13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.378 7.332 -13.489 1.00 0.00 H new ATOM 310 N LYS A 23 5.954 10.566 -10.006 1.00 0.00 N ATOM 311 CA LYS A 23 6.301 11.795 -9.303 1.00 0.00 C ATOM 312 C LYS A 23 7.501 12.475 -9.954 1.00 0.00 C ATOM 313 O LYS A 23 8.199 11.874 -10.771 1.00 0.00 O ATOM 314 CB LYS A 23 6.606 11.496 -7.833 1.00 0.00 C ATOM 315 CG LYS A 23 5.450 10.849 -7.091 1.00 0.00 C ATOM 316 CD LYS A 23 5.452 11.225 -5.618 1.00 0.00 C ATOM 317 CE LYS A 23 4.640 12.486 -5.364 1.00 0.00 C ATOM 318 NZ LYS A 23 4.891 13.526 -6.401 1.00 0.00 N ATOM 0 H LYS A 23 6.361 9.722 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 23 5.448 12.471 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.475 10.840 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.875 12.425 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.508 11.156 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.513 9.765 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.043 10.403 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.478 11.377 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.579 12.238 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.888 12.886 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.282 14.350 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.888 13.819 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.678 13.137 -7.342 1.00 0.00 H new ATOM 332 N SER A 24 7.735 13.730 -9.587 1.00 0.00 N ATOM 333 CA SER A 24 8.850 14.493 -10.137 1.00 0.00 C ATOM 334 C SER A 24 9.882 14.803 -9.057 1.00 0.00 C ATOM 335 O SER A 24 9.683 15.693 -8.231 1.00 0.00 O ATOM 336 CB SER A 24 8.345 15.793 -10.765 1.00 0.00 C ATOM 337 OG SER A 24 9.362 16.420 -11.528 1.00 0.00 O ATOM 0 H SER A 24 7.167 14.241 -8.911 1.00 0.00 H new ATOM 0 HA SER A 24 9.328 13.887 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.486 15.583 -11.402 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.004 16.470 -9.982 1.00 0.00 H new ATOM 0 HG SER A 24 10.071 16.736 -10.930 1.00 0.00 H new ATOM 343 N ASP A 25 10.985 14.063 -9.072 1.00 0.00 N ATOM 344 CA ASP A 25 12.050 14.258 -8.095 1.00 0.00 C ATOM 345 C ASP A 25 11.651 13.692 -6.736 1.00 0.00 C ATOM 346 O ASP A 25 11.678 14.396 -5.725 1.00 0.00 O ATOM 347 CB ASP A 25 12.384 15.745 -7.964 1.00 0.00 C ATOM 348 CG ASP A 25 12.364 16.463 -9.299 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.074 16.015 -10.224 1.00 0.00 O ATOM 350 OD2 ASP A 25 11.638 17.472 -9.419 1.00 0.00 O ATOM 0 H ASP A 25 11.165 13.323 -9.750 1.00 0.00 H new ATOM 0 HA ASP A 25 12.933 13.724 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.669 16.217 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.369 15.854 -7.511 1.00 0.00 H new ATOM 355 N THR A 26 11.280 12.416 -6.718 1.00 0.00 N ATOM 356 CA THR A 26 10.874 11.755 -5.484 1.00 0.00 C ATOM 357 C THR A 26 11.688 12.257 -4.297 1.00 0.00 C ATOM 358 O THR A 26 11.200 12.295 -3.168 1.00 0.00 O ATOM 359 CB THR A 26 11.029 10.226 -5.588 1.00 0.00 C ATOM 360 OG1 THR A 26 9.956 9.676 -6.361 1.00 0.00 O ATOM 361 CG2 THR A 26 11.044 9.588 -4.207 1.00 0.00 C ATOM 0 H THR A 26 11.252 11.819 -7.545 1.00 0.00 H new ATOM 0 HA THR A 26 9.823 11.997 -5.328 1.00 0.00 H new ATOM 0 HB THR A 26 11.978 10.012 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.302 9.258 -5.762 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.154 8.508 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.879 9.987 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.109 9.811 -3.693 1.00 0.00 H new ATOM 369 N ALA A 27 12.933 12.643 -4.560 1.00 0.00 N ATOM 370 CA ALA A 27 13.814 13.146 -3.514 1.00 0.00 C ATOM 371 C ALA A 27 13.029 13.921 -2.461 1.00 0.00 C ATOM 372 O ALA A 27 13.301 13.813 -1.266 1.00 0.00 O ATOM 373 CB ALA A 27 14.902 14.023 -4.117 1.00 0.00 C ATOM 0 H ALA A 27 13.353 12.617 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 27 14.282 12.292 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.553 14.392 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.489 13.439 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.445 14.867 -4.633 1.00 0.00 H new ATOM 379 N ALA A 28 12.056 14.705 -2.913 1.00 0.00 N ATOM 380 CA ALA A 28 11.231 15.497 -2.010 1.00 0.00 C ATOM 381 C ALA A 28 9.756 15.136 -2.154 1.00 0.00 C ATOM 382 O ALA A 28 9.140 14.621 -1.221 1.00 0.00 O ATOM 383 CB ALA A 28 11.441 16.982 -2.269 1.00 0.00 C ATOM 0 H ALA A 28 11.820 14.809 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 28 11.535 15.271 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.819 17.562 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.489 17.235 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.166 17.214 -3.298 1.00 0.00 H new ATOM 389 N ASP A 29 9.197 15.410 -3.327 1.00 0.00 N ATOM 390 CA ASP A 29 7.794 15.114 -3.593 1.00 0.00 C ATOM 391 C ASP A 29 7.499 13.634 -3.369 1.00 0.00 C ATOM 392 O ASP A 29 8.227 12.765 -3.851 1.00 0.00 O ATOM 393 CB ASP A 29 7.429 15.509 -5.024 1.00 0.00 C ATOM 394 CG ASP A 29 7.909 16.903 -5.381 1.00 0.00 C ATOM 395 OD1 ASP A 29 9.041 17.257 -4.991 1.00 0.00 O ATOM 396 OD2 ASP A 29 7.153 17.639 -6.049 1.00 0.00 O ATOM 0 H ASP A 29 9.694 15.837 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 29 7.188 15.696 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.863 14.790 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.347 15.458 -5.147 1.00 0.00 H new ATOM 401 N THR A 30 6.427 13.353 -2.635 1.00 0.00 N ATOM 402 CA THR A 30 6.037 11.979 -2.346 1.00 0.00 C ATOM 403 C THR A 30 4.520 11.829 -2.335 1.00 0.00 C ATOM 404 O THR A 30 3.803 12.710 -1.862 1.00 0.00 O ATOM 405 CB THR A 30 6.598 11.509 -0.991 1.00 0.00 C ATOM 406 OG1 THR A 30 6.416 12.531 -0.004 1.00 0.00 O ATOM 407 CG2 THR A 30 8.076 11.167 -1.106 1.00 0.00 C ATOM 0 H THR A 30 5.813 14.060 -2.230 1.00 0.00 H new ATOM 0 HA THR A 30 6.455 11.358 -3.139 1.00 0.00 H new ATOM 0 HB THR A 30 6.056 10.613 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.774 12.224 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.450 10.838 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.209 10.369 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.630 12.049 -1.428 1.00 0.00 H new ATOM 415 N TYR A 31 4.038 10.707 -2.858 1.00 0.00 N ATOM 416 CA TYR A 31 2.605 10.442 -2.910 1.00 0.00 C ATOM 417 C TYR A 31 1.934 10.817 -1.592 1.00 0.00 C ATOM 418 O TYR A 31 2.553 10.767 -0.530 1.00 0.00 O ATOM 419 CB TYR A 31 2.349 8.967 -3.223 1.00 0.00 C ATOM 420 CG TYR A 31 3.126 8.458 -4.416 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.895 8.965 -5.689 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.092 7.470 -4.270 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.602 8.502 -6.781 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.805 7.002 -5.357 1.00 0.00 C ATOM 425 CZ TYR A 31 4.556 7.521 -6.611 1.00 0.00 C ATOM 426 OH TYR A 31 5.264 7.058 -7.696 1.00 0.00 O ATOM 0 H TYR A 31 4.618 9.967 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 31 2.176 11.055 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.607 8.369 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.284 8.822 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.150 9.734 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.289 7.061 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.409 8.906 -7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.553 6.234 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 31 5.501 7.811 -8.277 1.00 0.00 H new ATOM 436 N GLY A 32 0.661 11.194 -1.670 1.00 0.00 N ATOM 437 CA GLY A 32 -0.075 11.572 -0.478 1.00 0.00 C ATOM 438 C GLY A 32 -1.277 10.682 -0.232 1.00 0.00 C ATOM 439 O GLY A 32 -2.343 11.160 0.158 1.00 0.00 O ATOM 0 H GLY A 32 0.127 11.244 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.589 11.527 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.406 12.606 -0.572 1.00 0.00 H new ATOM 443 N PHE A 33 -1.108 9.385 -0.462 1.00 0.00 N ATOM 444 CA PHE A 33 -2.189 8.426 -0.266 1.00 0.00 C ATOM 445 C PHE A 33 -1.699 7.205 0.508 1.00 0.00 C ATOM 446 O PHE A 33 -0.553 6.780 0.358 1.00 0.00 O ATOM 447 CB PHE A 33 -2.765 7.991 -1.615 1.00 0.00 C ATOM 448 CG PHE A 33 -2.081 6.789 -2.200 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.711 6.789 -2.409 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.807 5.659 -2.540 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.079 5.684 -2.948 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.180 4.551 -3.079 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.814 4.564 -3.282 1.00 0.00 C ATOM 0 H PHE A 33 -0.232 8.973 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.972 8.913 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.826 7.772 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.689 8.820 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.131 7.662 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.875 5.644 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.989 5.697 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.757 3.677 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.321 3.699 -3.701 1.00 0.00 H new ATOM 463 N SER A 34 -2.576 6.645 1.335 1.00 0.00 N ATOM 464 CA SER A 34 -2.233 5.476 2.136 1.00 0.00 C ATOM 465 C SER A 34 -3.035 4.257 1.690 1.00 0.00 C ATOM 466 O SER A 34 -4.013 4.380 0.951 1.00 0.00 O ATOM 467 CB SER A 34 -2.489 5.754 3.619 1.00 0.00 C ATOM 468 OG SER A 34 -1.714 4.897 4.439 1.00 0.00 O ATOM 0 H SER A 34 -3.529 6.982 1.468 1.00 0.00 H new ATOM 0 HA SER A 34 -1.173 5.265 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.249 6.793 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.547 5.616 3.841 1.00 0.00 H new ATOM 0 HG SER A 34 -1.894 5.095 5.382 1.00 0.00 H new ATOM 474 N LEU A 35 -2.614 3.082 2.143 1.00 0.00 N ATOM 475 CA LEU A 35 -3.292 1.839 1.791 1.00 0.00 C ATOM 476 C LEU A 35 -3.549 0.989 3.032 1.00 0.00 C ATOM 477 O LEU A 35 -2.625 0.664 3.776 1.00 0.00 O ATOM 478 CB LEU A 35 -2.458 1.048 0.782 1.00 0.00 C ATOM 479 CG LEU A 35 -2.424 1.604 -0.642 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.463 0.802 -1.506 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.819 1.600 -1.250 1.00 0.00 C ATOM 0 H LEU A 35 -1.807 2.963 2.755 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.252 2.092 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.435 0.990 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.841 0.028 0.744 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.070 2.634 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.452 1.213 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.460 0.856 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.787 -0.238 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.775 1.999 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.201 0.579 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.481 2.219 -0.645 1.00 0.00 H new ATOM 493 N SER A 36 -4.811 0.631 3.246 1.00 0.00 N ATOM 494 CA SER A 36 -5.191 -0.180 4.397 1.00 0.00 C ATOM 495 C SER A 36 -5.436 -1.628 3.984 1.00 0.00 C ATOM 496 O SER A 36 -5.938 -1.897 2.893 1.00 0.00 O ATOM 497 CB SER A 36 -6.446 0.393 5.059 1.00 0.00 C ATOM 498 OG SER A 36 -6.579 -0.076 6.390 1.00 0.00 O ATOM 0 H SER A 36 -5.588 0.890 2.638 1.00 0.00 H new ATOM 0 HA SER A 36 -4.369 -0.159 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.397 1.482 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.327 0.112 4.481 1.00 0.00 H new ATOM 0 HG SER A 36 -7.387 0.305 6.792 1.00 0.00 H new ATOM 504 N SER A 37 -5.077 -2.556 4.865 1.00 0.00 N ATOM 505 CA SER A 37 -5.253 -3.978 4.592 1.00 0.00 C ATOM 506 C SER A 37 -6.331 -4.574 5.492 1.00 0.00 C ATOM 507 O SER A 37 -6.397 -4.273 6.684 1.00 0.00 O ATOM 508 CB SER A 37 -3.934 -4.725 4.793 1.00 0.00 C ATOM 509 OG SER A 37 -2.896 -4.146 4.020 1.00 0.00 O ATOM 0 H SER A 37 -4.663 -2.349 5.774 1.00 0.00 H new ATOM 0 HA SER A 37 -5.569 -4.087 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.659 -4.707 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.059 -5.771 4.514 1.00 0.00 H new ATOM 0 HG SER A 37 -2.063 -4.641 4.168 1.00 0.00 H new ATOM 515 N VAL A 38 -7.175 -5.422 4.912 1.00 0.00 N ATOM 516 CA VAL A 38 -8.250 -6.063 5.660 1.00 0.00 C ATOM 517 C VAL A 38 -8.391 -7.530 5.272 1.00 0.00 C ATOM 518 O VAL A 38 -8.524 -7.860 4.094 1.00 0.00 O ATOM 519 CB VAL A 38 -9.596 -5.350 5.430 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.624 -5.808 6.453 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.415 -3.841 5.483 1.00 0.00 C ATOM 0 H VAL A 38 -7.135 -5.681 3.926 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.986 -5.994 6.715 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.963 -5.614 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.568 -5.294 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.774 -6.884 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.268 -5.575 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.376 -3.353 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.026 -3.555 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.714 -3.531 4.708 1.00 0.00 H new ATOM 531 N GLU A 39 -8.362 -8.407 6.271 1.00 0.00 N ATOM 532 CA GLU A 39 -8.487 -9.840 6.033 1.00 0.00 C ATOM 533 C GLU A 39 -9.913 -10.313 6.298 1.00 0.00 C ATOM 534 O GLU A 39 -10.346 -10.397 7.446 1.00 0.00 O ATOM 535 CB GLU A 39 -7.508 -10.614 6.918 1.00 0.00 C ATOM 536 CG GLU A 39 -7.034 -11.920 6.304 1.00 0.00 C ATOM 537 CD GLU A 39 -6.651 -12.951 7.348 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.548 -13.682 7.817 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.454 -13.026 7.696 1.00 0.00 O ATOM 0 H GLU A 39 -8.253 -8.150 7.252 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.248 -10.031 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.643 -9.984 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.985 -10.824 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.822 -12.326 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.176 -11.724 5.660 1.00 0.00 H new ATOM 546 N GLU A 40 -10.638 -10.620 5.226 1.00 0.00 N ATOM 547 CA GLU A 40 -12.015 -11.083 5.343 1.00 0.00 C ATOM 548 C GLU A 40 -12.131 -12.552 4.943 1.00 0.00 C ATOM 549 O GLU A 40 -11.803 -12.928 3.818 1.00 0.00 O ATOM 550 CB GLU A 40 -12.939 -10.232 4.470 1.00 0.00 C ATOM 551 CG GLU A 40 -13.083 -8.798 4.954 1.00 0.00 C ATOM 552 CD GLU A 40 -12.001 -7.887 4.407 1.00 0.00 C ATOM 553 OE1 GLU A 40 -10.876 -8.376 4.173 1.00 0.00 O ATOM 554 OE2 GLU A 40 -12.279 -6.685 4.213 1.00 0.00 O ATOM 0 H GLU A 40 -10.294 -10.556 4.268 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.317 -10.982 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.556 -10.225 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.925 -10.697 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.060 -8.415 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.051 -8.781 6.043 1.00 0.00 H new ATOM 561 N ASP A 41 -12.600 -13.376 5.873 1.00 0.00 N ATOM 562 CA ASP A 41 -12.760 -14.803 5.619 1.00 0.00 C ATOM 563 C ASP A 41 -11.436 -15.432 5.197 1.00 0.00 C ATOM 564 O ASP A 41 -11.413 -16.449 4.504 1.00 0.00 O ATOM 565 CB ASP A 41 -13.817 -15.035 4.538 1.00 0.00 C ATOM 566 CG ASP A 41 -14.957 -14.039 4.619 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.707 -14.078 5.617 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.099 -13.222 3.686 1.00 0.00 O ATOM 0 H ASP A 41 -12.876 -13.081 6.809 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.088 -15.277 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.349 -14.968 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.214 -16.046 4.633 1.00 0.00 H new ATOM 573 N GLY A 42 -10.334 -14.819 5.619 1.00 0.00 N ATOM 574 CA GLY A 42 -9.021 -15.332 5.274 1.00 0.00 C ATOM 575 C GLY A 42 -8.411 -14.613 4.087 1.00 0.00 C ATOM 576 O GLY A 42 -7.191 -14.602 3.919 1.00 0.00 O ATOM 0 H GLY A 42 -10.327 -13.976 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.359 -15.234 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.097 -16.396 5.050 1.00 0.00 H new ATOM 580 N ILE A 43 -9.261 -14.013 3.260 1.00 0.00 N ATOM 581 CA ILE A 43 -8.798 -13.289 2.083 1.00 0.00 C ATOM 582 C ILE A 43 -8.385 -11.866 2.440 1.00 0.00 C ATOM 583 O ILE A 43 -9.185 -11.088 2.959 1.00 0.00 O ATOM 584 CB ILE A 43 -9.883 -13.238 0.991 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.511 -14.620 0.800 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.294 -12.733 -0.318 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.830 -14.587 0.060 1.00 0.00 C ATOM 0 H ILE A 43 -10.273 -14.014 3.384 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.933 -13.830 1.700 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.663 -12.546 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.813 -15.255 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.663 -15.079 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.073 -12.703 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.890 -11.731 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.497 -13.403 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.217 -15.601 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.544 -13.979 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.681 -14.157 -0.931 1.00 0.00 H new ATOM 599 N ARG A 44 -7.130 -11.531 2.156 1.00 0.00 N ATOM 600 CA ARG A 44 -6.610 -10.201 2.447 1.00 0.00 C ATOM 601 C ARG A 44 -6.841 -9.257 1.270 1.00 0.00 C ATOM 602 O ARG A 44 -6.530 -9.589 0.125 1.00 0.00 O ATOM 603 CB ARG A 44 -5.116 -10.273 2.771 1.00 0.00 C ATOM 604 CG ARG A 44 -4.617 -9.105 3.605 1.00 0.00 C ATOM 605 CD ARG A 44 -3.157 -8.795 3.312 1.00 0.00 C ATOM 606 NE ARG A 44 -2.482 -8.202 4.463 1.00 0.00 N ATOM 607 CZ ARG A 44 -2.115 -8.894 5.536 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.358 -10.195 5.605 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.504 -8.283 6.543 1.00 0.00 N ATOM 0 H ARG A 44 -6.455 -12.163 1.725 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.144 -9.812 3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.913 -11.202 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.552 -10.310 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.225 -8.224 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.736 -9.335 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.643 -9.712 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.094 -8.113 2.464 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.281 -7.202 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.828 -10.668 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.075 -10.724 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.316 -7.282 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.222 -8.815 7.367 1.00 0.00 H new ATOM 623 N ARG A 45 -7.387 -8.081 1.559 1.00 0.00 N ATOM 624 CA ARG A 45 -7.661 -7.091 0.524 1.00 0.00 C ATOM 625 C ARG A 45 -7.051 -5.741 0.889 1.00 0.00 C ATOM 626 O ARG A 45 -6.593 -5.538 2.014 1.00 0.00 O ATOM 627 CB ARG A 45 -9.170 -6.941 0.318 1.00 0.00 C ATOM 628 CG ARG A 45 -9.815 -8.143 -0.353 1.00 0.00 C ATOM 629 CD ARG A 45 -10.171 -9.221 0.658 1.00 0.00 C ATOM 630 NE ARG A 45 -11.233 -10.098 0.172 1.00 0.00 N ATOM 631 CZ ARG A 45 -12.477 -9.691 -0.055 1.00 0.00 C ATOM 632 NH1 ARG A 45 -12.813 -8.426 0.159 1.00 0.00 N ATOM 633 NH2 ARG A 45 -13.387 -10.549 -0.497 1.00 0.00 N ATOM 0 H ARG A 45 -7.649 -7.790 2.501 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.207 -7.437 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.646 -6.776 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.359 -6.053 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.714 -7.827 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.135 -8.553 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.285 -9.815 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.486 -8.753 1.591 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.007 -11.077 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.116 -7.764 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.769 -8.116 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.132 -11.523 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.342 -10.235 -0.671 1.00 0.00 H new ATOM 647 N LEU A 46 -7.046 -4.822 -0.070 1.00 0.00 N ATOM 648 CA LEU A 46 -6.491 -3.490 0.149 1.00 0.00 C ATOM 649 C LEU A 46 -7.511 -2.411 -0.199 1.00 0.00 C ATOM 650 O LEU A 46 -8.347 -2.595 -1.085 1.00 0.00 O ATOM 651 CB LEU A 46 -5.225 -3.300 -0.688 1.00 0.00 C ATOM 652 CG LEU A 46 -3.911 -3.707 -0.020 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.554 -2.731 1.091 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.006 -5.125 0.524 1.00 0.00 C ATOM 0 H LEU A 46 -7.420 -4.974 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.238 -3.398 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.333 -3.872 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.155 -2.250 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.120 -3.679 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.616 -3.036 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.444 -1.730 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.346 -2.727 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.062 -5.398 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.808 -5.179 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.216 -5.815 -0.293 1.00 0.00 H new ATOM 666 N TYR A 47 -7.436 -1.285 0.501 1.00 0.00 N ATOM 667 CA TYR A 47 -8.353 -0.176 0.266 1.00 0.00 C ATOM 668 C TYR A 47 -7.679 1.160 0.564 1.00 0.00 C ATOM 669 O TYR A 47 -6.992 1.311 1.574 1.00 0.00 O ATOM 670 CB TYR A 47 -9.605 -0.331 1.130 1.00 0.00 C ATOM 671 CG TYR A 47 -10.327 -1.643 0.920 1.00 0.00 C ATOM 672 CD1 TYR A 47 -11.168 -1.830 -0.169 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.166 -2.697 1.812 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.829 -3.027 -0.364 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.822 -3.898 1.625 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.653 -4.058 0.535 1.00 0.00 C ATOM 677 OH TYR A 47 -12.309 -5.253 0.344 1.00 0.00 O ATOM 0 H TYR A 47 -6.749 -1.116 1.236 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.640 -0.192 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.325 -0.244 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.289 0.489 0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.308 -1.025 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.517 -2.575 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.480 -3.155 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.685 -4.707 2.327 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.446 -5.401 -0.615 1.00 0.00 H new ATOM 687 N VAL A 48 -7.881 2.128 -0.325 1.00 0.00 N ATOM 688 CA VAL A 48 -7.295 3.453 -0.158 1.00 0.00 C ATOM 689 C VAL A 48 -8.009 4.236 0.938 1.00 0.00 C ATOM 690 O VAL A 48 -9.188 4.563 0.814 1.00 0.00 O ATOM 691 CB VAL A 48 -7.352 4.260 -1.469 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.688 5.617 -1.290 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.697 3.483 -2.601 1.00 0.00 C ATOM 0 H VAL A 48 -8.446 2.019 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.253 3.305 0.125 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.398 4.425 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.738 6.173 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.205 6.175 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.645 5.477 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.746 4.068 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.654 3.286 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.221 2.538 -2.744 1.00 0.00 H new ATOM 703 N ASN A 49 -7.285 4.532 2.013 1.00 0.00 N ATOM 704 CA ASN A 49 -7.849 5.277 3.132 1.00 0.00 C ATOM 705 C ASN A 49 -7.924 6.767 2.812 1.00 0.00 C ATOM 706 O ASN A 49 -8.967 7.398 2.985 1.00 0.00 O ATOM 707 CB ASN A 49 -7.010 5.057 4.393 1.00 0.00 C ATOM 708 CG ASN A 49 -7.063 6.242 5.338 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.110 6.867 5.508 1.00 0.00 O ATOM 710 ND2 ASN A 49 -5.931 6.556 5.956 1.00 0.00 N ATOM 0 H ASN A 49 -6.307 4.267 2.132 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.860 4.910 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.365 4.166 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.975 4.869 4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.905 7.344 6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.087 6.009 5.784 1.00 0.00 H new ATOM 717 N SER A 50 -6.811 7.323 2.345 1.00 0.00 N ATOM 718 CA SER A 50 -6.749 8.739 2.003 1.00 0.00 C ATOM 719 C SER A 50 -5.947 8.955 0.723 1.00 0.00 C ATOM 720 O SER A 50 -5.235 8.062 0.265 1.00 0.00 O ATOM 721 CB SER A 50 -6.123 9.535 3.150 1.00 0.00 C ATOM 722 OG SER A 50 -4.827 9.052 3.459 1.00 0.00 O ATOM 0 H SER A 50 -5.940 6.814 2.195 1.00 0.00 H new ATOM 0 HA SER A 50 -7.767 9.092 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.066 10.589 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.759 9.468 4.033 1.00 0.00 H new ATOM 0 HG SER A 50 -4.448 9.578 4.194 1.00 0.00 H new ATOM 728 N VAL A 51 -6.070 10.148 0.150 1.00 0.00 N ATOM 729 CA VAL A 51 -5.357 10.483 -1.077 1.00 0.00 C ATOM 730 C VAL A 51 -4.897 11.937 -1.066 1.00 0.00 C ATOM 731 O VAL A 51 -5.596 12.817 -0.565 1.00 0.00 O ATOM 732 CB VAL A 51 -6.235 10.244 -2.320 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.496 10.659 -3.583 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.662 8.786 -2.397 1.00 0.00 C ATOM 0 H VAL A 51 -6.656 10.898 0.516 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.486 9.829 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.132 10.858 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.132 10.483 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.245 11.718 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.581 10.074 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.282 8.635 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.778 8.151 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.232 8.526 -1.505 1.00 0.00 H new ATOM 744 N LYS A 52 -3.715 12.182 -1.622 1.00 0.00 N ATOM 745 CA LYS A 52 -3.160 13.529 -1.678 1.00 0.00 C ATOM 746 C LYS A 52 -4.158 14.503 -2.297 1.00 0.00 C ATOM 747 O LYS A 52 -4.499 14.390 -3.474 1.00 0.00 O ATOM 748 CB LYS A 52 -1.859 13.534 -2.484 1.00 0.00 C ATOM 749 CG LYS A 52 -0.867 14.590 -2.031 1.00 0.00 C ATOM 750 CD LYS A 52 0.496 14.388 -2.673 1.00 0.00 C ATOM 751 CE LYS A 52 1.616 14.876 -1.768 1.00 0.00 C ATOM 752 NZ LYS A 52 1.337 16.233 -1.223 1.00 0.00 N ATOM 0 H LYS A 52 -3.123 11.465 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.949 13.851 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.391 12.552 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.094 13.696 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.247 15.580 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.768 14.555 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.641 13.331 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.535 14.922 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.749 14.174 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.552 14.894 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.203 16.621 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.019 16.857 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.594 16.170 -0.498 1.00 0.00 H new ATOM 766 N GLU A 53 -4.620 15.458 -1.497 1.00 0.00 N ATOM 767 CA GLU A 53 -5.578 16.452 -1.969 1.00 0.00 C ATOM 768 C GLU A 53 -5.070 17.141 -3.232 1.00 0.00 C ATOM 769 O GLU A 53 -5.801 17.284 -4.213 1.00 0.00 O ATOM 770 CB GLU A 53 -5.845 17.492 -0.879 1.00 0.00 C ATOM 771 CG GLU A 53 -4.633 18.345 -0.542 1.00 0.00 C ATOM 772 CD GLU A 53 -3.471 17.525 -0.017 1.00 0.00 C ATOM 773 OE1 GLU A 53 -3.684 16.719 0.913 1.00 0.00 O ATOM 774 OE2 GLU A 53 -2.347 17.689 -0.537 1.00 0.00 O ATOM 0 H GLU A 53 -4.347 15.565 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.509 15.938 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.659 18.142 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.182 16.982 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.317 18.888 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.913 19.090 0.203 1.00 0.00 H new ATOM 781 N THR A 54 -3.811 17.567 -3.201 1.00 0.00 N ATOM 782 CA THR A 54 -3.205 18.242 -4.342 1.00 0.00 C ATOM 783 C THR A 54 -1.967 17.497 -4.828 1.00 0.00 C ATOM 784 O THR A 54 -0.879 18.066 -4.909 1.00 0.00 O ATOM 785 CB THR A 54 -2.813 19.691 -3.994 1.00 0.00 C ATOM 786 OG1 THR A 54 -1.926 19.702 -2.870 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.047 20.524 -3.680 1.00 0.00 C ATOM 0 H THR A 54 -3.191 17.456 -2.398 1.00 0.00 H new ATOM 0 HA THR A 54 -3.953 18.255 -5.135 1.00 0.00 H new ATOM 0 HB THR A 54 -2.310 20.126 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.100 19.228 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.746 21.543 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.707 20.538 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.573 20.089 -2.830 1.00 0.00 H new ATOM 795 N GLY A 55 -2.140 16.219 -5.151 1.00 0.00 N ATOM 796 CA GLY A 55 -1.028 15.416 -5.626 1.00 0.00 C ATOM 797 C GLY A 55 -1.248 14.895 -7.032 1.00 0.00 C ATOM 798 O GLY A 55 -1.652 15.644 -7.924 1.00 0.00 O ATOM 0 H GLY A 55 -3.031 15.725 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.116 16.013 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.876 14.575 -4.950 1.00 0.00 H new ATOM 802 N LEU A 56 -0.981 13.610 -7.234 1.00 0.00 N ATOM 803 CA LEU A 56 -1.151 12.989 -8.543 1.00 0.00 C ATOM 804 C LEU A 56 -2.299 11.986 -8.525 1.00 0.00 C ATOM 805 O LEU A 56 -3.336 12.202 -9.153 1.00 0.00 O ATOM 806 CB LEU A 56 0.142 12.294 -8.971 1.00 0.00 C ATOM 807 CG LEU A 56 1.416 13.137 -8.893 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.625 12.255 -8.623 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.609 13.932 -10.176 1.00 0.00 C ATOM 0 H LEU A 56 -0.646 12.977 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.390 13.773 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.278 11.409 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.022 11.948 -9.998 1.00 0.00 H new ATOM 0 HG LEU A 56 1.313 13.839 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.522 12.873 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.489 11.732 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.732 11.528 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.520 14.526 -10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.689 13.247 -11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.756 14.594 -10.326 1.00 0.00 H new ATOM 821 N ALA A 57 -2.108 10.888 -7.800 1.00 0.00 N ATOM 822 CA ALA A 57 -3.130 9.853 -7.697 1.00 0.00 C ATOM 823 C ALA A 57 -4.529 10.457 -7.738 1.00 0.00 C ATOM 824 O ALA A 57 -5.452 9.873 -8.305 1.00 0.00 O ATOM 825 CB ALA A 57 -2.937 9.047 -6.421 1.00 0.00 C ATOM 0 H ALA A 57 -1.255 10.692 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.026 9.187 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.707 8.278 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.954 8.577 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.012 9.709 -5.558 1.00 0.00 H new ATOM 831 N SER A 58 -4.680 11.631 -7.131 1.00 0.00 N ATOM 832 CA SER A 58 -5.969 12.312 -7.094 1.00 0.00 C ATOM 833 C SER A 58 -6.362 12.807 -8.483 1.00 0.00 C ATOM 834 O SER A 58 -7.460 12.530 -8.967 1.00 0.00 O ATOM 835 CB SER A 58 -5.921 13.487 -6.116 1.00 0.00 C ATOM 836 OG SER A 58 -6.911 14.452 -6.428 1.00 0.00 O ATOM 0 H SER A 58 -3.926 12.130 -6.659 1.00 0.00 H new ATOM 0 HA SER A 58 -6.720 11.598 -6.756 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.070 13.124 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.935 13.950 -6.147 1.00 0.00 H new ATOM 0 HG SER A 58 -6.860 15.192 -5.787 1.00 0.00 H new ATOM 842 N LYS A 59 -5.457 13.542 -9.120 1.00 0.00 N ATOM 843 CA LYS A 59 -5.705 14.076 -10.454 1.00 0.00 C ATOM 844 C LYS A 59 -5.704 12.962 -11.495 1.00 0.00 C ATOM 845 O LYS A 59 -5.978 13.198 -12.672 1.00 0.00 O ATOM 846 CB LYS A 59 -4.648 15.124 -10.811 1.00 0.00 C ATOM 847 CG LYS A 59 -3.372 14.530 -11.381 1.00 0.00 C ATOM 848 CD LYS A 59 -2.226 15.527 -11.339 1.00 0.00 C ATOM 849 CE LYS A 59 -2.469 16.695 -12.283 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.256 16.312 -13.706 1.00 0.00 N ATOM 0 H LYS A 59 -4.544 13.782 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.688 14.547 -10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.070 15.821 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.404 15.700 -9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.101 13.638 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.544 14.215 -12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.103 15.899 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.296 15.026 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.488 17.060 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.801 17.516 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.398 17.143 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.287 15.955 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.934 15.569 -13.971 1.00 0.00 H new ATOM 864 N LYS A 60 -5.396 11.747 -11.055 1.00 0.00 N ATOM 865 CA LYS A 60 -5.361 10.595 -11.947 1.00 0.00 C ATOM 866 C LYS A 60 -6.719 9.901 -11.992 1.00 0.00 C ATOM 867 O LYS A 60 -7.290 9.702 -13.064 1.00 0.00 O ATOM 868 CB LYS A 60 -4.286 9.605 -11.495 1.00 0.00 C ATOM 869 CG LYS A 60 -2.927 9.851 -12.129 1.00 0.00 C ATOM 870 CD LYS A 60 -2.603 11.334 -12.195 1.00 0.00 C ATOM 871 CE LYS A 60 -1.210 11.575 -12.754 1.00 0.00 C ATOM 872 NZ LYS A 60 -1.121 12.871 -13.483 1.00 0.00 N ATOM 0 H LYS A 60 -5.167 11.535 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.120 10.951 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.187 9.659 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.612 8.593 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.158 9.335 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.912 9.429 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.339 11.841 -12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.676 11.768 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.485 11.566 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.943 10.761 -13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.689 12.715 -14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.075 13.267 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.537 13.536 -12.938 1.00 0.00 H new ATOM 886 N GLY A 61 -7.231 9.536 -10.821 1.00 0.00 N ATOM 887 CA GLY A 61 -8.519 8.870 -10.750 1.00 0.00 C ATOM 888 C GLY A 61 -8.787 8.270 -9.383 1.00 0.00 C ATOM 889 O GLY A 61 -9.938 8.036 -9.014 1.00 0.00 O ATOM 0 H GLY A 61 -6.777 9.689 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.307 9.583 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.560 8.083 -11.503 1.00 0.00 H new ATOM 893 N LEU A 62 -7.721 8.020 -8.630 1.00 0.00 N ATOM 894 CA LEU A 62 -7.846 7.442 -7.296 1.00 0.00 C ATOM 895 C LEU A 62 -8.650 8.358 -6.379 1.00 0.00 C ATOM 896 O LEU A 62 -8.872 9.528 -6.691 1.00 0.00 O ATOM 897 CB LEU A 62 -6.462 7.189 -6.697 1.00 0.00 C ATOM 898 CG LEU A 62 -5.795 5.868 -7.084 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.291 5.948 -6.871 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.388 4.717 -6.285 1.00 0.00 C ATOM 0 H LEU A 62 -6.761 8.208 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.375 6.493 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.804 8.006 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.546 7.226 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.983 5.684 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.833 5.000 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.878 6.747 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.083 6.155 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.902 3.785 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.231 4.894 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.457 4.646 -6.487 1.00 0.00 H new ATOM 912 N LYS A 63 -9.083 7.819 -5.245 1.00 0.00 N ATOM 913 CA LYS A 63 -9.860 8.588 -4.279 1.00 0.00 C ATOM 914 C LYS A 63 -10.114 7.774 -3.014 1.00 0.00 C ATOM 915 O LYS A 63 -10.126 6.544 -3.048 1.00 0.00 O ATOM 916 CB LYS A 63 -11.191 9.023 -4.895 1.00 0.00 C ATOM 917 CG LYS A 63 -11.801 10.242 -4.226 1.00 0.00 C ATOM 918 CD LYS A 63 -13.318 10.223 -4.308 1.00 0.00 C ATOM 919 CE LYS A 63 -13.940 11.245 -3.368 1.00 0.00 C ATOM 920 NZ LYS A 63 -15.416 11.337 -3.548 1.00 0.00 N ATOM 0 H LYS A 63 -8.909 6.852 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.285 9.474 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.039 9.237 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.897 8.195 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.493 10.277 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.421 11.147 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.631 10.431 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.684 9.227 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.716 10.973 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.491 12.222 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.803 12.044 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.629 11.621 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.848 10.411 -3.354 1.00 0.00 H new ATOM 934 N ALA A 64 -10.319 8.469 -1.900 1.00 0.00 N ATOM 935 CA ALA A 64 -10.577 7.810 -0.626 1.00 0.00 C ATOM 936 C ALA A 64 -11.869 7.001 -0.678 1.00 0.00 C ATOM 937 O ALA A 64 -12.947 7.514 -0.382 1.00 0.00 O ATOM 938 CB ALA A 64 -10.640 8.837 0.496 1.00 0.00 C ATOM 0 H ALA A 64 -10.311 9.488 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.756 7.121 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.833 8.331 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.690 9.369 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.442 9.548 0.294 1.00 0.00 H new ATOM 944 N GLY A 65 -11.751 5.731 -1.056 1.00 0.00 N ATOM 945 CA GLY A 65 -12.918 4.872 -1.141 1.00 0.00 C ATOM 946 C GLY A 65 -12.821 3.874 -2.278 1.00 0.00 C ATOM 947 O GLY A 65 -13.796 3.643 -2.993 1.00 0.00 O ATOM 0 H GLY A 65 -10.869 5.283 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.040 4.336 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.808 5.486 -1.275 1.00 0.00 H new ATOM 951 N ASP A 66 -11.644 3.284 -2.446 1.00 0.00 N ATOM 952 CA ASP A 66 -11.423 2.306 -3.505 1.00 0.00 C ATOM 953 C ASP A 66 -10.657 1.096 -2.978 1.00 0.00 C ATOM 954 O ASP A 66 -10.182 1.099 -1.843 1.00 0.00 O ATOM 955 CB ASP A 66 -10.657 2.943 -4.666 1.00 0.00 C ATOM 956 CG ASP A 66 -11.487 3.968 -5.414 1.00 0.00 C ATOM 957 OD1 ASP A 66 -12.275 4.685 -4.761 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.348 4.055 -6.651 1.00 0.00 O ATOM 0 H ASP A 66 -10.827 3.465 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.396 1.970 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.754 3.420 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.338 2.164 -5.358 1.00 0.00 H new ATOM 963 N GLU A 67 -10.544 0.065 -3.809 1.00 0.00 N ATOM 964 CA GLU A 67 -9.838 -1.151 -3.424 1.00 0.00 C ATOM 965 C GLU A 67 -8.741 -1.485 -4.431 1.00 0.00 C ATOM 966 O GLU A 67 -8.888 -1.241 -5.629 1.00 0.00 O ATOM 967 CB GLU A 67 -10.817 -2.323 -3.313 1.00 0.00 C ATOM 968 CG GLU A 67 -11.274 -2.863 -4.658 1.00 0.00 C ATOM 969 CD GLU A 67 -12.440 -2.084 -5.234 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.592 -2.366 -4.842 1.00 0.00 O ATOM 971 OE2 GLU A 67 -12.202 -1.193 -6.075 1.00 0.00 O ATOM 0 H GLU A 67 -10.932 0.047 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.376 -0.980 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.345 -3.128 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.690 -2.004 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.440 -2.833 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.560 -3.909 -4.547 1.00 0.00 H new ATOM 978 N ILE A 68 -7.641 -2.043 -3.935 1.00 0.00 N ATOM 979 CA ILE A 68 -6.520 -2.410 -4.790 1.00 0.00 C ATOM 980 C ILE A 68 -6.554 -3.896 -5.134 1.00 0.00 C ATOM 981 O ILE A 68 -6.850 -4.735 -4.282 1.00 0.00 O ATOM 982 CB ILE A 68 -5.171 -2.080 -4.123 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.178 -0.645 -3.593 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.030 -2.281 -5.109 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.779 0.353 -4.558 1.00 0.00 C ATOM 0 H ILE A 68 -7.503 -2.250 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.617 -1.825 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.022 -2.757 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.736 -0.615 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.155 -0.346 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.083 -2.044 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.017 -3.318 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.171 -1.625 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.751 1.349 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.207 0.351 -5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.813 0.079 -4.768 1.00 0.00 H new ATOM 997 N LEU A 69 -6.246 -4.215 -6.386 1.00 0.00 N ATOM 998 CA LEU A 69 -6.239 -5.600 -6.843 1.00 0.00 C ATOM 999 C LEU A 69 -4.812 -6.100 -7.046 1.00 0.00 C ATOM 1000 O LEU A 69 -4.513 -7.267 -6.799 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.028 -5.732 -8.147 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.434 -5.131 -8.145 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.952 -4.979 -9.567 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.380 -5.990 -7.320 1.00 0.00 C ATOM 0 H LEU A 69 -5.998 -3.533 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.713 -6.212 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.454 -5.260 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.107 -6.791 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.384 -4.141 -7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.954 -4.550 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.288 -4.322 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.986 -5.956 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.376 -5.547 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.425 -6.993 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.018 -6.047 -6.293 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.936 -5.206 -7.495 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.541 -5.557 -7.729 1.00 0.00 C ATOM 1018 C GLU A 70 -1.665 -4.308 -7.770 1.00 0.00 C ATOM 1019 O GLU A 70 -2.138 -3.216 -8.085 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.400 -6.334 -9.040 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.717 -7.814 -8.907 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.965 -8.665 -9.911 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -0.782 -8.976 -9.656 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -2.557 -9.020 -10.952 1.00 0.00 O ATOM 0 H GLU A 70 -4.168 -4.235 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.209 -6.187 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.062 -5.895 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.382 -6.221 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.470 -8.145 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.788 -7.965 -9.039 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.387 -4.478 -7.448 1.00 0.00 N ATOM 1032 CA ILE A 71 0.554 -3.365 -7.447 1.00 0.00 C ATOM 1033 C ILE A 71 1.826 -3.721 -8.210 1.00 0.00 C ATOM 1034 O ILE A 71 2.690 -4.431 -7.698 1.00 0.00 O ATOM 1035 CB ILE A 71 0.929 -2.945 -6.014 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.333 -2.743 -5.172 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.767 -1.675 -6.036 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.046 -2.370 -3.734 1.00 0.00 C ATOM 0 H ILE A 71 0.020 -5.375 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 71 0.057 -2.531 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 71 1.522 -3.740 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.942 -1.962 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.923 -3.659 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.024 -1.391 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.680 -1.851 -6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.198 -0.872 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.986 -2.243 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.537 -3.161 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.518 -1.437 -3.706 1.00 0.00 H new ATOM 1050 N ASN A 72 1.934 -3.220 -9.436 1.00 0.00 N ATOM 1051 CA ASN A 72 3.102 -3.484 -10.269 1.00 0.00 C ATOM 1052 C ASN A 72 3.254 -4.979 -10.534 1.00 0.00 C ATOM 1053 O ASN A 72 4.363 -5.512 -10.519 1.00 0.00 O ATOM 1054 CB ASN A 72 4.366 -2.942 -9.599 1.00 0.00 C ATOM 1055 CG ASN A 72 4.626 -1.489 -9.947 1.00 0.00 C ATOM 1056 OD1 ASN A 72 4.805 -0.659 -8.926 1.00 0.00 O flip ATOM 1057 ND2 ASN A 72 4.666 -1.117 -11.120 1.00 0.00 N flip ATOM 0 H ASN A 72 1.228 -2.629 -9.875 1.00 0.00 H new ATOM 0 HA ASN A 72 2.959 -2.976 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.273 -3.043 -8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.222 -3.545 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.523 -1.789 -11.873 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.842 -0.136 -11.338 1.00 0.00 H new ATOM 1064 N ASN A 73 2.133 -5.649 -10.776 1.00 0.00 N ATOM 1065 CA ASN A 73 2.141 -7.083 -11.044 1.00 0.00 C ATOM 1066 C ASN A 73 2.453 -7.871 -9.776 1.00 0.00 C ATOM 1067 O ASN A 73 3.193 -8.855 -9.810 1.00 0.00 O ATOM 1068 CB ASN A 73 3.168 -7.414 -12.129 1.00 0.00 C ATOM 1069 CG ASN A 73 2.862 -8.719 -12.836 1.00 0.00 C ATOM 1070 OD1 ASN A 73 3.363 -9.777 -12.455 1.00 0.00 O ATOM 1071 ND2 ASN A 73 2.034 -8.651 -13.872 1.00 0.00 N ATOM 0 H ASN A 73 1.207 -5.222 -10.792 1.00 0.00 H new ATOM 0 HA ASN A 73 1.149 -7.368 -11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.194 -6.606 -12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.160 -7.471 -11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.790 -9.497 -14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.642 -7.752 -14.153 1.00 0.00 H new ATOM 1078 N ARG A 74 1.882 -7.433 -8.658 1.00 0.00 N ATOM 1079 CA ARG A 74 2.099 -8.097 -7.378 1.00 0.00 C ATOM 1080 C ARG A 74 0.796 -8.199 -6.591 1.00 0.00 C ATOM 1081 O ARG A 74 0.001 -7.260 -6.563 1.00 0.00 O ATOM 1082 CB ARG A 74 3.146 -7.341 -6.558 1.00 0.00 C ATOM 1083 CG ARG A 74 4.558 -7.472 -7.104 1.00 0.00 C ATOM 1084 CD ARG A 74 5.133 -8.854 -6.836 1.00 0.00 C ATOM 1085 NE ARG A 74 6.452 -9.025 -7.440 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.227 -10.082 -7.226 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.817 -11.058 -6.427 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.414 -10.165 -7.812 1.00 0.00 N ATOM 0 H ARG A 74 1.266 -6.621 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 74 2.463 -9.105 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.875 -6.286 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.127 -7.709 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.554 -7.280 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.197 -6.716 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.203 -9.015 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.454 -9.611 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 74 6.797 -8.292 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.904 -10.998 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.414 -11.869 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.732 -9.417 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.009 -10.977 -7.647 1.00 0.00 H new ATOM 1102 N ALA A 75 0.584 -9.346 -5.953 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.621 -9.569 -5.164 1.00 0.00 C ATOM 1104 C ALA A 75 -0.574 -8.787 -3.856 1.00 0.00 C ATOM 1105 O ALA A 75 0.359 -8.934 -3.067 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.802 -11.054 -4.887 1.00 0.00 C ATOM 0 H ALA A 75 1.231 -10.134 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.474 -9.211 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.706 -11.207 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.890 -11.592 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.060 -11.429 -4.335 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.586 -7.955 -3.633 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.660 -7.150 -2.420 1.00 0.00 C ATOM 1114 C ALA A 76 -1.390 -7.998 -1.182 1.00 0.00 C ATOM 1115 O ALA A 76 -0.672 -7.577 -0.274 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.021 -6.478 -2.315 1.00 0.00 C ATOM 0 H ALA A 76 -2.366 -7.821 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.890 -6.380 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.062 -5.880 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.176 -5.833 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.801 -7.239 -2.285 1.00 0.00 H new ATOM 1122 N ASP A 77 -1.969 -9.193 -1.151 1.00 0.00 N ATOM 1123 CA ASP A 77 -1.789 -10.101 -0.023 1.00 0.00 C ATOM 1124 C ASP A 77 -0.317 -10.455 0.160 1.00 0.00 C ATOM 1125 O ASP A 77 0.167 -10.574 1.285 1.00 0.00 O ATOM 1126 CB ASP A 77 -2.612 -11.373 -0.230 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.064 -12.550 0.555 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -1.743 -12.369 1.748 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -1.956 -13.651 -0.025 1.00 0.00 O ATOM 0 H ASP A 77 -2.567 -9.556 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.136 -9.596 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.643 -11.188 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.629 -11.623 -1.291 1.00 0.00 H new ATOM 1134 N ALA A 78 0.389 -10.624 -0.953 1.00 0.00 N ATOM 1135 CA ALA A 78 1.805 -10.965 -0.915 1.00 0.00 C ATOM 1136 C ALA A 78 2.630 -9.819 -0.339 1.00 0.00 C ATOM 1137 O ALA A 78 3.616 -10.042 0.364 1.00 0.00 O ATOM 1138 CB ALA A 78 2.299 -11.325 -2.309 1.00 0.00 C ATOM 0 H ALA A 78 0.003 -10.530 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 78 1.928 -11.830 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.358 -11.578 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.737 -12.180 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.156 -10.475 -2.977 1.00 0.00 H new ATOM 1144 N LEU A 79 2.222 -8.592 -0.643 1.00 0.00 N ATOM 1145 CA LEU A 79 2.924 -7.409 -0.156 1.00 0.00 C ATOM 1146 C LEU A 79 2.658 -7.192 1.331 1.00 0.00 C ATOM 1147 O LEU A 79 1.522 -7.301 1.791 1.00 0.00 O ATOM 1148 CB LEU A 79 2.493 -6.174 -0.948 1.00 0.00 C ATOM 1149 CG LEU A 79 2.666 -6.256 -2.465 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.666 -5.349 -3.166 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.089 -5.890 -2.860 1.00 0.00 C ATOM 0 H LEU A 79 1.409 -8.390 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 79 3.993 -7.568 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.443 -5.977 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.060 -5.317 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 79 2.476 -7.283 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.804 -5.420 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.653 -5.657 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.824 -4.319 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.194 -5.954 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.307 -4.873 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.787 -6.581 -2.387 1.00 0.00 H new ATOM 1163 N ASN A 80 3.714 -6.882 2.076 1.00 0.00 N ATOM 1164 CA ASN A 80 3.594 -6.648 3.511 1.00 0.00 C ATOM 1165 C ASN A 80 4.052 -5.238 3.871 1.00 0.00 C ATOM 1166 O ASN A 80 4.693 -4.558 3.070 1.00 0.00 O ATOM 1167 CB ASN A 80 4.418 -7.677 4.287 1.00 0.00 C ATOM 1168 CG ASN A 80 5.904 -7.557 4.010 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.408 -6.470 3.730 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.612 -8.678 4.087 1.00 0.00 N ATOM 0 H ASN A 80 4.662 -6.787 1.711 1.00 0.00 H new ATOM 0 HA ASN A 80 2.544 -6.752 3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.239 -7.551 5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.082 -8.680 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.616 -8.660 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.151 -9.557 4.323 1.00 0.00 H new ATOM 1177 N SER A 81 3.717 -4.805 5.083 1.00 0.00 N ATOM 1178 CA SER A 81 4.091 -3.474 5.549 1.00 0.00 C ATOM 1179 C SER A 81 5.453 -3.067 4.996 1.00 0.00 C ATOM 1180 O SER A 81 5.606 -1.988 4.424 1.00 0.00 O ATOM 1181 CB SER A 81 4.116 -3.435 7.078 1.00 0.00 C ATOM 1182 OG SER A 81 5.062 -4.355 7.596 1.00 0.00 O ATOM 0 H SER A 81 3.188 -5.356 5.759 1.00 0.00 H new ATOM 0 HA SER A 81 3.346 -2.766 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.361 -2.428 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.125 -3.669 7.467 1.00 0.00 H new ATOM 0 HG SER A 81 5.060 -4.310 8.575 1.00 0.00 H new ATOM 1188 N SER A 82 6.440 -3.940 5.171 1.00 0.00 N ATOM 1189 CA SER A 82 7.792 -3.671 4.694 1.00 0.00 C ATOM 1190 C SER A 82 7.788 -3.354 3.201 1.00 0.00 C ATOM 1191 O SER A 82 8.032 -2.218 2.796 1.00 0.00 O ATOM 1192 CB SER A 82 8.701 -4.870 4.969 1.00 0.00 C ATOM 1193 OG SER A 82 10.057 -4.471 5.067 1.00 0.00 O ATOM 0 H SER A 82 6.329 -4.839 5.639 1.00 0.00 H new ATOM 0 HA SER A 82 8.174 -2.803 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.395 -5.358 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.592 -5.604 4.170 1.00 0.00 H new ATOM 0 HG SER A 82 10.617 -5.255 5.245 1.00 0.00 H new ATOM 1199 N MET A 83 7.507 -4.367 2.388 1.00 0.00 N ATOM 1200 CA MET A 83 7.470 -4.197 0.940 1.00 0.00 C ATOM 1201 C MET A 83 6.707 -2.931 0.561 1.00 0.00 C ATOM 1202 O MET A 83 7.240 -2.054 -0.120 1.00 0.00 O ATOM 1203 CB MET A 83 6.821 -5.414 0.279 1.00 0.00 C ATOM 1204 CG MET A 83 7.812 -6.507 -0.088 1.00 0.00 C ATOM 1205 SD MET A 83 7.111 -7.732 -1.210 1.00 0.00 S ATOM 1206 CE MET A 83 6.250 -8.796 -0.054 1.00 0.00 C ATOM 0 H MET A 83 7.302 -5.314 2.707 1.00 0.00 H new ATOM 0 HA MET A 83 8.496 -4.103 0.584 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.071 -5.827 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.298 -5.092 -0.621 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.689 -6.056 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.151 -7.004 0.821 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.505 -9.386 -0.588 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.964 -9.464 0.428 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.756 -8.187 0.703 1.00 0.00 H new ATOM 1216 N LEU A 84 5.459 -2.842 1.007 1.00 0.00 N ATOM 1217 CA LEU A 84 4.623 -1.683 0.714 1.00 0.00 C ATOM 1218 C LEU A 84 5.415 -0.388 0.864 1.00 0.00 C ATOM 1219 O LEU A 84 5.367 0.486 -0.002 1.00 0.00 O ATOM 1220 CB LEU A 84 3.406 -1.660 1.640 1.00 0.00 C ATOM 1221 CG LEU A 84 2.236 -2.556 1.234 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.284 -2.755 2.404 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.501 -1.965 0.040 1.00 0.00 C ATOM 0 H LEU A 84 5.004 -3.558 1.573 1.00 0.00 H new ATOM 0 HA LEU A 84 4.284 -1.762 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.730 -1.950 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.045 -0.634 1.707 1.00 0.00 H new ATOM 0 HG LEU A 84 2.632 -3.530 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.458 -3.395 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.817 -3.224 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.894 -1.789 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.671 -2.616 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.117 -0.979 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.187 -1.876 -0.802 1.00 0.00 H new ATOM 1235 N LYS A 85 6.146 -0.273 1.968 1.00 0.00 N ATOM 1236 CA LYS A 85 6.952 0.913 2.231 1.00 0.00 C ATOM 1237 C LYS A 85 7.897 1.198 1.068 1.00 0.00 C ATOM 1238 O LYS A 85 7.943 2.315 0.552 1.00 0.00 O ATOM 1239 CB LYS A 85 7.755 0.733 3.521 1.00 0.00 C ATOM 1240 CG LYS A 85 8.405 2.013 4.017 1.00 0.00 C ATOM 1241 CD LYS A 85 9.486 1.727 5.046 1.00 0.00 C ATOM 1242 CE LYS A 85 8.893 1.487 6.426 1.00 0.00 C ATOM 1243 NZ LYS A 85 8.637 2.764 7.149 1.00 0.00 N ATOM 0 H LYS A 85 6.197 -0.987 2.695 1.00 0.00 H new ATOM 0 HA LYS A 85 6.278 1.762 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.096 0.345 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.529 -0.017 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.837 2.553 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.646 2.661 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.060 0.853 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.181 2.566 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.960 0.931 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.573 0.868 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.233 2.558 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.531 3.283 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.968 3.344 6.603 1.00 0.00 H new ATOM 1257 N ASP A 86 8.648 0.181 0.659 1.00 0.00 N ATOM 1258 CA ASP A 86 9.590 0.322 -0.446 1.00 0.00 C ATOM 1259 C ASP A 86 8.875 0.773 -1.715 1.00 0.00 C ATOM 1260 O ASP A 86 9.281 1.741 -2.359 1.00 0.00 O ATOM 1261 CB ASP A 86 10.316 -1.001 -0.697 1.00 0.00 C ATOM 1262 CG ASP A 86 11.495 -0.845 -1.637 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.184 0.194 -1.558 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.729 -1.762 -2.451 1.00 0.00 O ATOM 0 H ASP A 86 8.623 -0.750 1.076 1.00 0.00 H new ATOM 0 HA ASP A 86 10.321 1.083 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.664 -1.407 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.615 -1.723 -1.115 1.00 0.00 H new ATOM 1269 N PHE A 87 7.809 0.064 -2.072 1.00 0.00 N ATOM 1270 CA PHE A 87 7.038 0.390 -3.266 1.00 0.00 C ATOM 1271 C PHE A 87 6.686 1.874 -3.298 1.00 0.00 C ATOM 1272 O PHE A 87 6.845 2.540 -4.322 1.00 0.00 O ATOM 1273 CB PHE A 87 5.760 -0.450 -3.319 1.00 0.00 C ATOM 1274 CG PHE A 87 5.977 -1.838 -3.850 1.00 0.00 C ATOM 1275 CD1 PHE A 87 7.045 -2.603 -3.411 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.112 -2.378 -4.788 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.248 -3.880 -3.898 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.309 -3.655 -5.280 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.378 -4.408 -4.833 1.00 0.00 C ATOM 0 H PHE A 87 7.459 -0.740 -1.551 1.00 0.00 H new ATOM 0 HA PHE A 87 7.651 0.161 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.336 -0.515 -2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.026 0.059 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.727 -2.196 -2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.274 -1.794 -5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.086 -4.465 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.628 -4.063 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.533 -5.407 -5.213 1.00 0.00 H new ATOM 1289 N LEU A 88 6.206 2.387 -2.170 1.00 0.00 N ATOM 1290 CA LEU A 88 5.831 3.792 -2.067 1.00 0.00 C ATOM 1291 C LEU A 88 7.056 4.694 -2.184 1.00 0.00 C ATOM 1292 O LEU A 88 6.940 5.877 -2.502 1.00 0.00 O ATOM 1293 CB LEU A 88 5.116 4.054 -0.740 1.00 0.00 C ATOM 1294 CG LEU A 88 3.846 3.239 -0.490 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.511 3.216 0.994 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.683 3.804 -1.292 1.00 0.00 C ATOM 0 H LEU A 88 6.068 1.850 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 88 5.154 4.022 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.816 3.857 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.860 5.112 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 88 4.024 2.215 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.605 2.632 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.335 2.765 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.353 4.235 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.788 3.212 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.504 4.837 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.923 3.768 -2.355 1.00 0.00 H new ATOM 1308 N SER A 89 8.229 4.125 -1.927 1.00 0.00 N ATOM 1309 CA SER A 89 9.476 4.877 -2.002 1.00 0.00 C ATOM 1310 C SER A 89 9.952 4.998 -3.446 1.00 0.00 C ATOM 1311 O SER A 89 11.061 5.461 -3.708 1.00 0.00 O ATOM 1312 CB SER A 89 10.555 4.202 -1.152 1.00 0.00 C ATOM 1313 OG SER A 89 11.258 3.227 -1.902 1.00 0.00 O ATOM 0 H SER A 89 8.342 3.146 -1.665 1.00 0.00 H new ATOM 0 HA SER A 89 9.291 5.879 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.253 4.953 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.097 3.734 -0.281 1.00 0.00 H new ATOM 0 HG SER A 89 10.760 2.383 -1.889 1.00 0.00 H new ATOM 1319 N GLN A 90 9.103 4.577 -4.379 1.00 0.00 N ATOM 1320 CA GLN A 90 9.437 4.637 -5.797 1.00 0.00 C ATOM 1321 C GLN A 90 8.728 5.806 -6.474 1.00 0.00 C ATOM 1322 O GLN A 90 7.583 6.134 -6.162 1.00 0.00 O ATOM 1323 CB GLN A 90 9.058 3.326 -6.488 1.00 0.00 C ATOM 1324 CG GLN A 90 9.632 2.093 -5.809 1.00 0.00 C ATOM 1325 CD GLN A 90 11.047 1.785 -6.258 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.425 2.068 -7.396 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.838 1.203 -5.365 1.00 0.00 N ATOM 0 H GLN A 90 8.180 4.191 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 90 10.513 4.788 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.972 3.242 -6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.404 3.356 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.621 2.240 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.993 1.236 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.483 0.987 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.801 0.972 -5.610 1.00 0.00 H new ATOM 1336 N PRO A 91 9.423 6.451 -7.423 1.00 0.00 N ATOM 1337 CA PRO A 91 8.879 7.593 -8.164 1.00 0.00 C ATOM 1338 C PRO A 91 7.764 7.186 -9.120 1.00 0.00 C ATOM 1339 O PRO A 91 6.879 7.983 -9.433 1.00 0.00 O ATOM 1340 CB PRO A 91 10.088 8.117 -8.944 1.00 0.00 C ATOM 1341 CG PRO A 91 10.985 6.937 -9.090 1.00 0.00 C ATOM 1342 CD PRO A 91 10.793 6.114 -7.846 1.00 0.00 C ATOM 0 HA PRO A 91 8.429 8.332 -7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.791 8.511 -9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.583 8.927 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.732 6.362 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.024 7.248 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.901 5.048 -8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.525 6.368 -7.079 1.00 0.00 H new ATOM 1350 N SER A 92 7.811 5.940 -9.581 1.00 0.00 N ATOM 1351 CA SER A 92 6.805 5.428 -10.505 1.00 0.00 C ATOM 1352 C SER A 92 6.174 4.148 -9.966 1.00 0.00 C ATOM 1353 O SER A 92 6.862 3.153 -9.731 1.00 0.00 O ATOM 1354 CB SER A 92 7.429 5.164 -11.876 1.00 0.00 C ATOM 1355 OG SER A 92 7.972 3.857 -11.947 1.00 0.00 O ATOM 0 H SER A 92 8.535 5.266 -9.330 1.00 0.00 H new ATOM 0 HA SER A 92 6.025 6.182 -10.608 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.675 5.290 -12.653 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.212 5.897 -12.070 1.00 0.00 H new ATOM 0 HG SER A 92 7.980 3.457 -11.052 1.00 0.00 H new ATOM 1361 N LEU A 93 4.861 4.180 -9.771 1.00 0.00 N ATOM 1362 CA LEU A 93 4.134 3.023 -9.259 1.00 0.00 C ATOM 1363 C LEU A 93 2.926 2.707 -10.135 1.00 0.00 C ATOM 1364 O LEU A 93 2.350 3.597 -10.760 1.00 0.00 O ATOM 1365 CB LEU A 93 3.684 3.274 -7.819 1.00 0.00 C ATOM 1366 CG LEU A 93 4.681 2.889 -6.727 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.282 3.509 -5.397 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.779 1.376 -6.603 1.00 0.00 C ATOM 0 H LEU A 93 4.277 4.995 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 93 4.807 2.165 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.450 4.333 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.758 2.724 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 93 5.662 3.275 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.004 3.224 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.264 4.595 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.292 3.154 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.494 1.121 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.801 0.968 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.113 0.954 -7.551 1.00 0.00 H new ATOM 1380 N GLY A 94 2.545 1.434 -10.173 1.00 0.00 N ATOM 1381 CA GLY A 94 1.406 1.024 -10.973 1.00 0.00 C ATOM 1382 C GLY A 94 0.370 0.269 -10.164 1.00 0.00 C ATOM 1383 O GLY A 94 0.648 -0.809 -9.638 1.00 0.00 O ATOM 0 H GLY A 94 3.005 0.679 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.943 1.905 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.750 0.395 -11.794 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.827 0.836 -10.061 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.908 0.210 -9.308 1.00 0.00 C ATOM 1389 C LEU A 95 -2.994 -0.310 -10.244 1.00 0.00 C ATOM 1390 O LEU A 95 -3.187 0.216 -11.341 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.508 1.207 -8.316 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.528 1.851 -7.335 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.142 3.090 -6.703 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.112 0.854 -6.264 1.00 0.00 C ATOM 0 H LEU A 95 -1.073 1.728 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.493 -0.635 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.999 2.000 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.282 0.697 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.638 2.153 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.430 3.535 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.388 3.812 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.049 2.813 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.414 1.330 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.993 0.520 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.630 -0.004 -6.733 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.702 -1.344 -9.804 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.772 -1.934 -10.602 1.00 0.00 C ATOM 1408 C LEU A 96 -6.086 -1.945 -9.828 1.00 0.00 C ATOM 1409 O LEU A 96 -6.316 -2.814 -8.986 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.399 -3.359 -11.016 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.339 -4.035 -12.015 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.033 -3.573 -13.431 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.228 -5.549 -11.910 1.00 0.00 C ATOM 0 H LEU A 96 -3.555 -1.791 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.904 -1.325 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.397 -3.341 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.350 -3.976 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.363 -3.748 -11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.711 -4.064 -14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.164 -2.493 -13.498 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.004 -3.830 -13.683 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.904 -6.014 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.204 -5.855 -12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.497 -5.864 -10.902 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.946 -0.974 -10.119 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.239 -0.873 -9.453 1.00 0.00 C ATOM 1427 C VAL A 97 -9.381 -1.139 -10.427 1.00 0.00 C ATOM 1428 O VAL A 97 -9.217 -1.016 -11.641 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.435 0.515 -8.815 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.386 0.763 -7.743 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.390 1.601 -9.880 1.00 0.00 C ATOM 0 H VAL A 97 -6.770 -0.246 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.251 -1.630 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.416 0.543 -8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.541 1.749 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.472 0.002 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.392 0.716 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.530 2.575 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.424 1.576 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.184 1.430 -10.607 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.540 -1.503 -9.887 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.710 -1.787 -10.709 1.00 0.00 C ATOM 1443 C ARG A 98 -12.627 -0.569 -10.789 1.00 0.00 C ATOM 1444 O ARG A 98 -12.663 0.256 -9.875 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.480 -2.981 -10.143 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.214 -3.789 -11.200 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.781 -5.077 -10.623 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.831 -6.183 -10.717 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.553 -6.819 -11.850 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.148 -6.460 -12.979 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -11.677 -7.816 -11.854 1.00 0.00 N ATOM 0 H ARG A 98 -10.693 -1.608 -8.884 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.366 -2.029 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.784 -3.634 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.200 -2.622 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.022 -3.191 -11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.533 -4.024 -12.018 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.051 -4.919 -9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.697 -5.339 -11.153 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.355 -6.483 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.821 -5.694 -12.979 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.933 -6.950 -13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.217 -8.094 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.464 -8.304 -12.724 1.00 0.00 H new ATOM 1465 N THR A 99 -13.366 -0.463 -11.889 1.00 0.00 N ATOM 1466 CA THR A 99 -14.281 0.654 -12.089 1.00 0.00 C ATOM 1467 C THR A 99 -15.530 0.212 -12.843 1.00 0.00 C ATOM 1468 O THR A 99 -15.607 -0.916 -13.330 1.00 0.00 O ATOM 1469 CB THR A 99 -13.606 1.801 -12.864 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.350 3.013 -12.692 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.505 1.468 -14.345 1.00 0.00 C ATOM 0 H THR A 99 -13.349 -1.137 -12.655 1.00 0.00 H new ATOM 0 HA THR A 99 -14.565 1.012 -11.099 1.00 0.00 H new ATOM 0 HB THR A 99 -12.599 1.934 -12.468 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.913 3.738 -13.186 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.025 2.293 -14.871 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.914 0.562 -14.475 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.504 1.311 -14.751 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.506 1.109 -12.937 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.753 0.811 -13.631 1.00 0.00 C ATOM 1481 C TYR A 100 -17.718 1.334 -15.064 1.00 0.00 C ATOM 1482 O TYR A 100 -17.230 2.430 -15.340 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.937 1.423 -12.882 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.944 1.111 -11.402 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -19.584 -0.022 -10.914 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -18.312 1.949 -10.492 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -19.593 -0.311 -9.563 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -18.315 1.667 -9.140 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.957 0.536 -8.680 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.964 0.253 -7.334 1.00 0.00 O ATOM 0 H TYR A 100 -16.457 2.048 -12.541 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.872 -0.272 -13.662 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -18.922 2.505 -13.017 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.864 1.060 -13.326 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -20.083 -0.688 -11.603 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -17.810 2.836 -10.848 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -20.095 -1.196 -9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.817 2.329 -8.446 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.471 0.949 -6.851 1.00 0.00 H new