USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 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 80 ASN : amide:sc= 0.24 K(o=-2,f=-11!) USER MOD Set 1.2: A 83 MET CE :methyl -147:sc= -2.21! (180deg=-2.34!) USER MOD Set 2.1: A 49 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.6!) USER MOD Set 2.2: A 50 SER OG : rot -91:sc= 0.018 USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.426 X(o=-0.49,f=-0.38) USER MOD Set 3.2: A 92 SER OG : rot -150:sc= -0.0676 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 42:sc= 1.15 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -7.97! (180deg=-9.35!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 161:sc= -0.932! USER MOD Single : A 34 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 27:sc= 0.286 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 52 LYS NZ :NH3+ -102:sc= -5.49! (180deg=-10.1!) USER MOD Single : A 54 THR OG1 : rot -36:sc= 0.802 USER MOD Single : A 58 SER OG : rot 180:sc= -0.435 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.12) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -52:sc= 0.244 USER MOD Single : A 90 GLN : amide:sc= -0.193 K(o=-0.19,f=-1) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.322 -4.179 -14.225 1.00 0.00 N ATOM 160 CA LYS A 14 -17.219 -3.258 -13.977 1.00 0.00 C ATOM 161 C LYS A 14 -16.010 -3.614 -14.837 1.00 0.00 C ATOM 162 O LYS A 14 -15.985 -4.658 -15.489 1.00 0.00 O ATOM 163 CB LYS A 14 -16.830 -3.283 -12.497 1.00 0.00 C ATOM 164 CG LYS A 14 -18.018 -3.194 -11.555 1.00 0.00 C ATOM 165 CD LYS A 14 -17.746 -3.916 -10.245 1.00 0.00 C ATOM 166 CE LYS A 14 -18.919 -3.789 -9.285 1.00 0.00 C ATOM 167 NZ LYS A 14 -19.909 -4.886 -9.471 1.00 0.00 N ATOM 0 HA LYS A 14 -17.550 -2.254 -14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.281 -4.201 -12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.153 -2.453 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.247 -2.147 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.897 -3.626 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.549 -4.970 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.849 -3.506 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.552 -3.802 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.410 -2.827 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.693 -4.764 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.279 -4.859 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.447 -5.803 -9.302 1.00 0.00 H new ATOM 181 N VAL A 15 -15.009 -2.739 -14.834 1.00 0.00 N ATOM 182 CA VAL A 15 -13.797 -2.962 -15.611 1.00 0.00 C ATOM 183 C VAL A 15 -12.557 -2.544 -14.828 1.00 0.00 C ATOM 184 O VAL A 15 -12.598 -1.604 -14.033 1.00 0.00 O ATOM 185 CB VAL A 15 -13.834 -2.189 -16.943 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.978 -2.683 -17.815 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.954 -0.694 -16.688 1.00 0.00 C ATOM 0 H VAL A 15 -15.014 -1.869 -14.302 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.748 -4.031 -15.821 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.900 -2.370 -17.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.989 -2.126 -18.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.843 -3.744 -18.026 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.924 -2.534 -17.294 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.979 -0.163 -17.640 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.872 -0.492 -16.136 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.098 -0.354 -16.105 1.00 0.00 H new ATOM 197 N THR A 16 -11.453 -3.248 -15.058 1.00 0.00 N ATOM 198 CA THR A 16 -10.201 -2.951 -14.374 1.00 0.00 C ATOM 199 C THR A 16 -9.469 -1.794 -15.045 1.00 0.00 C ATOM 200 O THR A 16 -9.486 -1.664 -16.269 1.00 0.00 O ATOM 201 CB THR A 16 -9.274 -4.180 -14.341 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.008 -4.630 -15.675 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.899 -5.308 -13.535 1.00 0.00 C ATOM 0 H THR A 16 -11.401 -4.028 -15.713 1.00 0.00 H new ATOM 0 HA THR A 16 -10.458 -2.671 -13.352 1.00 0.00 H new ATOM 0 HB THR A 16 -8.339 -3.889 -13.863 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.416 -5.411 -15.645 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.226 -6.165 -13.526 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.072 -4.972 -12.513 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.848 -5.596 -13.988 1.00 0.00 H new ATOM 211 N GLN A 17 -8.826 -0.958 -14.237 1.00 0.00 N ATOM 212 CA GLN A 17 -8.087 0.188 -14.754 1.00 0.00 C ATOM 213 C GLN A 17 -6.666 0.213 -14.203 1.00 0.00 C ATOM 214 O GLN A 17 -6.457 0.117 -12.993 1.00 0.00 O ATOM 215 CB GLN A 17 -8.809 1.489 -14.398 1.00 0.00 C ATOM 216 CG GLN A 17 -8.306 2.695 -15.175 1.00 0.00 C ATOM 217 CD GLN A 17 -9.264 3.869 -15.113 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.715 4.372 -16.142 1.00 0.00 O ATOM 219 NE2 GLN A 17 -9.579 4.313 -13.902 1.00 0.00 N ATOM 0 H GLN A 17 -8.802 -1.052 -13.222 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.034 0.095 -15.839 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.876 1.366 -14.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.692 1.680 -13.331 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.337 3.000 -14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.150 2.413 -16.216 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.182 3.866 -13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.218 5.101 -13.798 1.00 0.00 H new ATOM 228 N SER A 18 -5.691 0.344 -15.097 1.00 0.00 N ATOM 229 CA SER A 18 -4.289 0.377 -14.700 1.00 0.00 C ATOM 230 C SER A 18 -3.820 1.813 -14.484 1.00 0.00 C ATOM 231 O SER A 18 -3.532 2.534 -15.439 1.00 0.00 O ATOM 232 CB SER A 18 -3.420 -0.300 -15.762 1.00 0.00 C ATOM 233 OG SER A 18 -3.452 0.419 -16.982 1.00 0.00 O ATOM 0 H SER A 18 -5.847 0.429 -16.101 1.00 0.00 H new ATOM 0 HA SER A 18 -4.190 -0.165 -13.760 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.393 -0.370 -15.405 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.770 -1.319 -15.928 1.00 0.00 H new ATOM 0 HG SER A 18 -3.395 1.380 -16.797 1.00 0.00 H new ATOM 239 N ILE A 19 -3.746 2.220 -13.221 1.00 0.00 N ATOM 240 CA ILE A 19 -3.311 3.569 -12.878 1.00 0.00 C ATOM 241 C ILE A 19 -1.806 3.617 -12.641 1.00 0.00 C ATOM 242 O ILE A 19 -1.249 2.770 -11.942 1.00 0.00 O ATOM 243 CB ILE A 19 -4.035 4.091 -11.623 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.526 4.278 -11.908 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.411 5.398 -11.158 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.403 4.079 -10.692 1.00 0.00 C ATOM 0 H ILE A 19 -3.981 1.636 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.563 4.208 -13.725 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.927 3.355 -10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.689 5.281 -12.303 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.830 3.576 -12.684 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.933 5.755 -10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.360 5.235 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.492 6.142 -11.950 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.447 4.227 -10.968 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.269 3.068 -10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.126 4.799 -9.922 1.00 0.00 H new ATOM 258 N HIS A 20 -1.152 4.616 -13.226 1.00 0.00 N ATOM 259 CA HIS A 20 0.290 4.778 -13.076 1.00 0.00 C ATOM 260 C HIS A 20 0.639 6.211 -12.688 1.00 0.00 C ATOM 261 O HIS A 20 0.417 7.144 -13.461 1.00 0.00 O ATOM 262 CB HIS A 20 1.004 4.399 -14.374 1.00 0.00 C ATOM 263 CG HIS A 20 2.387 3.864 -14.162 1.00 0.00 C ATOM 264 ND1 HIS A 20 3.490 4.340 -14.839 1.00 0.00 N ATOM 265 CD2 HIS A 20 2.843 2.888 -13.342 1.00 0.00 C ATOM 266 CE1 HIS A 20 4.564 3.679 -14.446 1.00 0.00 C ATOM 267 NE2 HIS A 20 4.198 2.793 -13.537 1.00 0.00 N ATOM 0 H HIS A 20 -1.598 5.325 -13.808 1.00 0.00 H new ATOM 0 HA HIS A 20 0.625 4.114 -12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.411 3.651 -14.901 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.057 5.276 -15.019 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.251 2.295 -12.661 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.570 3.836 -14.806 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.822 2.144 -13.058 1.00 0.00 H new ATOM 276 N ILE A 21 1.185 6.379 -11.488 1.00 0.00 N ATOM 277 CA ILE A 21 1.564 7.698 -11.000 1.00 0.00 C ATOM 278 C ILE A 21 3.069 7.917 -11.117 1.00 0.00 C ATOM 279 O ILE A 21 3.849 6.968 -11.054 1.00 0.00 O ATOM 280 CB ILE A 21 1.140 7.899 -9.532 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.301 7.428 -9.326 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.288 9.359 -9.133 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.592 6.976 -7.912 1.00 0.00 C ATOM 0 H ILE A 21 1.374 5.618 -10.836 1.00 0.00 H new ATOM 0 HA ILE A 21 1.044 8.426 -11.623 1.00 0.00 H new ATOM 0 HB ILE A 21 1.792 7.301 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.981 8.239 -9.587 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.508 6.606 -10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.985 9.485 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.328 9.664 -9.247 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.657 9.977 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.631 6.656 -7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.063 6.144 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.418 7.802 -7.223 1.00 0.00 H new ATOM 295 N GLU A 22 3.467 9.173 -11.286 1.00 0.00 N ATOM 296 CA GLU A 22 4.879 9.516 -11.411 1.00 0.00 C ATOM 297 C GLU A 22 5.157 10.900 -10.832 1.00 0.00 C ATOM 298 O GLU A 22 4.382 11.836 -11.031 1.00 0.00 O ATOM 299 CB GLU A 22 5.310 9.469 -12.878 1.00 0.00 C ATOM 300 CG GLU A 22 5.685 8.077 -13.359 1.00 0.00 C ATOM 301 CD GLU A 22 5.470 7.897 -14.849 1.00 0.00 C ATOM 302 OE1 GLU A 22 4.582 8.574 -15.407 1.00 0.00 O ATOM 303 OE2 GLU A 22 6.191 7.079 -15.457 1.00 0.00 O ATOM 0 H GLU A 22 2.833 9.970 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 22 5.455 8.783 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.500 9.852 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.162 10.134 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.731 7.884 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.093 7.338 -12.818 1.00 0.00 H new ATOM 310 N LYS A 23 6.268 11.022 -10.113 1.00 0.00 N ATOM 311 CA LYS A 23 6.650 12.291 -9.505 1.00 0.00 C ATOM 312 C LYS A 23 7.945 12.819 -10.115 1.00 0.00 C ATOM 313 O LYS A 23 8.652 12.095 -10.816 1.00 0.00 O ATOM 314 CB LYS A 23 6.817 12.125 -7.992 1.00 0.00 C ATOM 315 CG LYS A 23 5.736 11.273 -7.351 1.00 0.00 C ATOM 316 CD LYS A 23 5.436 11.727 -5.933 1.00 0.00 C ATOM 317 CE LYS A 23 4.318 12.758 -5.902 1.00 0.00 C ATOM 318 NZ LYS A 23 4.489 13.730 -4.787 1.00 0.00 N ATOM 0 H LYS A 23 6.920 10.257 -9.937 1.00 0.00 H new ATOM 0 HA LYS A 23 5.857 13.012 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.789 11.676 -7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.817 13.110 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.827 11.325 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.052 10.230 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.155 10.866 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.336 12.151 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.293 13.295 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.359 12.250 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.078 14.646 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.007 13.373 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.502 13.851 -4.585 1.00 0.00 H new ATOM 332 N SER A 24 8.250 14.083 -9.842 1.00 0.00 N ATOM 333 CA SER A 24 9.458 14.709 -10.366 1.00 0.00 C ATOM 334 C SER A 24 10.693 14.216 -9.617 1.00 0.00 C ATOM 335 O SER A 24 11.730 13.940 -10.222 1.00 0.00 O ATOM 336 CB SER A 24 9.358 16.231 -10.259 1.00 0.00 C ATOM 337 OG SER A 24 10.105 16.865 -11.283 1.00 0.00 O ATOM 0 H SER A 24 7.677 14.694 -9.260 1.00 0.00 H new ATOM 0 HA SER A 24 9.555 14.432 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.313 16.535 -10.325 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.723 16.555 -9.284 1.00 0.00 H new ATOM 0 HG SER A 24 10.023 17.837 -11.193 1.00 0.00 H new ATOM 343 N ASP A 25 10.574 14.108 -8.299 1.00 0.00 N ATOM 344 CA ASP A 25 11.679 13.648 -7.466 1.00 0.00 C ATOM 345 C ASP A 25 11.163 12.876 -6.256 1.00 0.00 C ATOM 346 O ASP A 25 10.450 13.424 -5.414 1.00 0.00 O ATOM 347 CB ASP A 25 12.528 14.834 -7.007 1.00 0.00 C ATOM 348 CG ASP A 25 13.322 15.452 -8.141 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.370 14.882 -8.512 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.895 16.505 -8.658 1.00 0.00 O ATOM 0 H ASP A 25 9.723 14.333 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 25 12.298 12.979 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.880 15.592 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.213 14.506 -6.225 1.00 0.00 H new ATOM 355 N THR A 26 11.527 11.600 -6.174 1.00 0.00 N ATOM 356 CA THR A 26 11.099 10.752 -5.069 1.00 0.00 C ATOM 357 C THR A 26 11.235 11.478 -3.735 1.00 0.00 C ATOM 358 O THR A 26 10.242 11.751 -3.062 1.00 0.00 O ATOM 359 CB THR A 26 11.914 9.446 -5.015 1.00 0.00 C ATOM 360 OG1 THR A 26 13.315 9.741 -5.043 1.00 0.00 O ATOM 361 CG2 THR A 26 11.558 8.538 -6.182 1.00 0.00 C ATOM 0 H THR A 26 12.118 11.131 -6.861 1.00 0.00 H new ATOM 0 HA THR A 26 10.051 10.510 -5.243 1.00 0.00 H new ATOM 0 HB THR A 26 11.671 8.930 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.826 8.906 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.146 7.622 -6.123 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.497 8.292 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.776 9.049 -7.120 1.00 0.00 H new ATOM 369 N ALA A 27 12.472 11.788 -3.359 1.00 0.00 N ATOM 370 CA ALA A 27 12.737 12.485 -2.106 1.00 0.00 C ATOM 371 C ALA A 27 11.959 13.795 -2.032 1.00 0.00 C ATOM 372 O ALA A 27 11.093 13.965 -1.175 1.00 0.00 O ATOM 373 CB ALA A 27 14.228 12.744 -1.952 1.00 0.00 C ATOM 0 H ALA A 27 13.306 11.568 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 27 12.404 11.848 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.412 13.265 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.764 11.795 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.578 13.358 -2.782 1.00 0.00 H new ATOM 379 N ALA A 28 12.276 14.718 -2.934 1.00 0.00 N ATOM 380 CA ALA A 28 11.606 16.012 -2.971 1.00 0.00 C ATOM 381 C ALA A 28 10.091 15.846 -2.940 1.00 0.00 C ATOM 382 O ALA A 28 9.447 16.121 -1.927 1.00 0.00 O ATOM 383 CB ALA A 28 12.029 16.790 -4.208 1.00 0.00 C ATOM 0 H ALA A 28 12.993 14.594 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 28 11.902 16.573 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.521 17.754 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.107 16.948 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.762 16.226 -5.102 1.00 0.00 H new ATOM 389 N ASP A 29 9.526 15.397 -4.055 1.00 0.00 N ATOM 390 CA ASP A 29 8.086 15.195 -4.156 1.00 0.00 C ATOM 391 C ASP A 29 7.720 13.741 -3.874 1.00 0.00 C ATOM 392 O ASP A 29 8.367 12.819 -4.371 1.00 0.00 O ATOM 393 CB ASP A 29 7.588 15.599 -5.544 1.00 0.00 C ATOM 394 CG ASP A 29 8.332 16.798 -6.100 1.00 0.00 C ATOM 395 OD1 ASP A 29 8.869 17.588 -5.295 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.377 16.945 -7.339 1.00 0.00 O ATOM 0 H ASP A 29 10.044 15.166 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 29 7.603 15.824 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.701 14.757 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.523 15.827 -5.493 1.00 0.00 H new ATOM 401 N THR A 30 6.679 13.543 -3.072 1.00 0.00 N ATOM 402 CA THR A 30 6.228 12.202 -2.722 1.00 0.00 C ATOM 403 C THR A 30 4.708 12.142 -2.618 1.00 0.00 C ATOM 404 O THR A 30 4.068 13.095 -2.174 1.00 0.00 O ATOM 405 CB THR A 30 6.841 11.733 -1.388 1.00 0.00 C ATOM 406 OG1 THR A 30 6.515 10.358 -1.155 1.00 0.00 O ATOM 407 CG2 THR A 30 6.334 12.582 -0.232 1.00 0.00 C ATOM 0 H THR A 30 6.132 14.295 -2.652 1.00 0.00 H new ATOM 0 HA THR A 30 6.561 11.539 -3.520 1.00 0.00 H new ATOM 0 HB THR A 30 7.923 11.843 -1.452 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.910 10.067 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.780 12.233 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.609 13.624 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.249 12.499 -0.168 1.00 0.00 H new ATOM 415 N TYR A 31 4.136 11.016 -3.030 1.00 0.00 N ATOM 416 CA TYR A 31 2.690 10.832 -2.986 1.00 0.00 C ATOM 417 C TYR A 31 2.150 11.100 -1.584 1.00 0.00 C ATOM 418 O TYR A 31 2.904 11.426 -0.668 1.00 0.00 O ATOM 419 CB TYR A 31 2.321 9.414 -3.424 1.00 0.00 C ATOM 420 CG TYR A 31 3.239 8.851 -4.486 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.130 9.254 -5.811 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.215 7.916 -4.163 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.965 8.741 -6.784 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.055 7.399 -5.130 1.00 0.00 C ATOM 425 CZ TYR A 31 4.926 7.814 -6.439 1.00 0.00 C ATOM 426 OH TYR A 31 5.761 7.302 -7.405 1.00 0.00 O ATOM 0 H TYR A 31 4.652 10.217 -3.398 1.00 0.00 H new ATOM 0 HA TYR A 31 2.237 11.546 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.340 8.757 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.299 9.414 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.380 9.981 -6.085 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.318 7.588 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.866 9.064 -7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.809 6.673 -4.862 1.00 0.00 H new ATOM 0 HH TYR A 31 6.551 6.908 -6.979 1.00 0.00 H new ATOM 436 N GLY A 32 0.837 10.960 -1.426 1.00 0.00 N ATOM 437 CA GLY A 32 0.217 11.190 -0.134 1.00 0.00 C ATOM 438 C GLY A 32 -0.952 10.259 0.121 1.00 0.00 C ATOM 439 O GLY A 32 -1.815 10.548 0.951 1.00 0.00 O ATOM 0 H GLY A 32 0.192 10.692 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.961 11.058 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.126 12.223 -0.078 1.00 0.00 H new ATOM 443 N PHE A 33 -0.982 9.140 -0.594 1.00 0.00 N ATOM 444 CA PHE A 33 -2.056 8.165 -0.443 1.00 0.00 C ATOM 445 C PHE A 33 -1.557 6.912 0.272 1.00 0.00 C ATOM 446 O PHE A 33 -0.520 6.353 -0.084 1.00 0.00 O ATOM 447 CB PHE A 33 -2.630 7.790 -1.811 1.00 0.00 C ATOM 448 CG PHE A 33 -1.940 6.619 -2.450 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.628 6.724 -2.885 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.602 5.414 -2.616 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.009 5.649 -3.474 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.970 4.334 -3.205 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.662 4.452 -3.633 1.00 0.00 C ATOM 0 H PHE A 33 -0.275 8.885 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.842 8.619 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.690 7.561 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.557 8.651 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.098 7.657 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.624 5.316 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.031 5.744 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.498 3.400 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.165 3.610 -4.091 1.00 0.00 H new ATOM 463 N SER A 34 -2.303 6.479 1.283 1.00 0.00 N ATOM 464 CA SER A 34 -1.935 5.296 2.052 1.00 0.00 C ATOM 465 C SER A 34 -2.857 4.126 1.723 1.00 0.00 C ATOM 466 O SER A 34 -3.952 4.313 1.191 1.00 0.00 O ATOM 467 CB SER A 34 -1.990 5.598 3.551 1.00 0.00 C ATOM 468 OG SER A 34 -1.500 4.506 4.310 1.00 0.00 O ATOM 0 H SER A 34 -3.166 6.929 1.589 1.00 0.00 H new ATOM 0 HA SER A 34 -0.916 5.020 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.400 6.489 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.017 5.817 3.844 1.00 0.00 H new ATOM 0 HG SER A 34 -1.544 4.725 5.264 1.00 0.00 H new ATOM 474 N LEU A 35 -2.407 2.918 2.044 1.00 0.00 N ATOM 475 CA LEU A 35 -3.190 1.715 1.783 1.00 0.00 C ATOM 476 C LEU A 35 -3.411 0.921 3.066 1.00 0.00 C ATOM 477 O LEU A 35 -2.479 0.696 3.838 1.00 0.00 O ATOM 478 CB LEU A 35 -2.488 0.840 0.743 1.00 0.00 C ATOM 479 CG LEU A 35 -2.458 1.388 -0.684 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.423 0.649 -1.518 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.834 1.284 -1.325 1.00 0.00 C ATOM 0 H LEU A 35 -1.504 2.745 2.486 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.161 2.021 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.461 0.675 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.977 -0.134 0.727 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.177 2.440 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.416 1.053 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.437 0.775 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.673 -0.411 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.793 1.679 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.144 0.239 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.552 1.859 -0.741 1.00 0.00 H new ATOM 493 N SER A 36 -4.651 0.495 3.287 1.00 0.00 N ATOM 494 CA SER A 36 -4.996 -0.273 4.477 1.00 0.00 C ATOM 495 C SER A 36 -5.271 -1.731 4.122 1.00 0.00 C ATOM 496 O SER A 36 -5.986 -2.024 3.164 1.00 0.00 O ATOM 497 CB SER A 36 -6.219 0.335 5.167 1.00 0.00 C ATOM 498 OG SER A 36 -6.585 -0.417 6.311 1.00 0.00 O ATOM 0 H SER A 36 -5.434 0.669 2.657 1.00 0.00 H new ATOM 0 HA SER A 36 -4.147 -0.237 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.003 1.363 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.055 0.370 4.468 1.00 0.00 H new ATOM 0 HG SER A 36 -7.368 -0.007 6.735 1.00 0.00 H new ATOM 504 N SER A 37 -4.697 -2.642 4.901 1.00 0.00 N ATOM 505 CA SER A 37 -4.876 -4.070 4.668 1.00 0.00 C ATOM 506 C SER A 37 -5.947 -4.642 5.592 1.00 0.00 C ATOM 507 O SER A 37 -5.849 -4.537 6.814 1.00 0.00 O ATOM 508 CB SER A 37 -3.555 -4.813 4.879 1.00 0.00 C ATOM 509 OG SER A 37 -3.023 -4.551 6.166 1.00 0.00 O ATOM 0 H SER A 37 -4.104 -2.416 5.699 1.00 0.00 H new ATOM 0 HA SER A 37 -5.200 -4.206 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.714 -5.885 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.838 -4.509 4.117 1.00 0.00 H new ATOM 0 HG SER A 37 -3.752 -4.330 6.783 1.00 0.00 H new ATOM 515 N VAL A 38 -6.971 -5.247 4.998 1.00 0.00 N ATOM 516 CA VAL A 38 -8.061 -5.836 5.766 1.00 0.00 C ATOM 517 C VAL A 38 -8.248 -7.308 5.414 1.00 0.00 C ATOM 518 O VAL A 38 -8.284 -7.675 4.240 1.00 0.00 O ATOM 519 CB VAL A 38 -9.386 -5.089 5.524 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.509 -5.718 6.335 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.235 -3.614 5.862 1.00 0.00 C ATOM 0 H VAL A 38 -7.068 -5.342 3.987 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.791 -5.748 6.818 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.642 -5.172 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.437 -5.177 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.632 -6.760 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.264 -5.668 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.181 -3.102 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.955 -3.508 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.461 -3.174 5.233 1.00 0.00 H new ATOM 531 N GLU A 39 -8.368 -8.145 6.439 1.00 0.00 N ATOM 532 CA GLU A 39 -8.552 -9.578 6.237 1.00 0.00 C ATOM 533 C GLU A 39 -10.010 -9.974 6.446 1.00 0.00 C ATOM 534 O GLU A 39 -10.570 -9.775 7.523 1.00 0.00 O ATOM 535 CB GLU A 39 -7.655 -10.369 7.192 1.00 0.00 C ATOM 536 CG GLU A 39 -7.245 -11.730 6.654 1.00 0.00 C ATOM 537 CD GLU A 39 -7.021 -12.748 7.755 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.674 -12.632 8.813 1.00 0.00 O ATOM 539 OE2 GLU A 39 -6.193 -13.662 7.557 1.00 0.00 O ATOM 0 H GLU A 39 -8.341 -7.856 7.417 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.274 -9.813 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.759 -9.786 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.177 -10.504 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.016 -12.096 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.331 -11.625 6.069 1.00 0.00 H new ATOM 546 N GLU A 40 -10.620 -10.536 5.406 1.00 0.00 N ATOM 547 CA GLU A 40 -12.013 -10.959 5.475 1.00 0.00 C ATOM 548 C GLU A 40 -12.146 -12.448 5.172 1.00 0.00 C ATOM 549 O GLU A 40 -12.123 -12.861 4.012 1.00 0.00 O ATOM 550 CB GLU A 40 -12.864 -10.150 4.494 1.00 0.00 C ATOM 551 CG GLU A 40 -13.054 -8.699 4.905 1.00 0.00 C ATOM 552 CD GLU A 40 -14.308 -8.085 4.314 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.634 -8.406 3.152 1.00 0.00 O ATOM 554 OE2 GLU A 40 -14.963 -7.283 5.013 1.00 0.00 O ATOM 0 H GLU A 40 -10.171 -10.708 4.507 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.370 -10.779 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.397 -10.182 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.842 -10.623 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.101 -8.636 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.187 -8.119 4.589 1.00 0.00 H new ATOM 561 N ASP A 41 -12.282 -13.250 6.222 1.00 0.00 N ATOM 562 CA ASP A 41 -12.419 -14.694 6.069 1.00 0.00 C ATOM 563 C ASP A 41 -11.195 -15.285 5.376 1.00 0.00 C ATOM 564 O ASP A 41 -11.317 -16.154 4.514 1.00 0.00 O ATOM 565 CB ASP A 41 -13.682 -15.027 5.274 1.00 0.00 C ATOM 566 CG ASP A 41 -14.882 -14.220 5.728 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.090 -13.111 5.192 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.614 -14.697 6.620 1.00 0.00 O ATOM 0 H ASP A 41 -12.300 -12.925 7.189 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.499 -15.134 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.501 -14.840 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.903 -16.090 5.377 1.00 0.00 H new ATOM 573 N GLY A 42 -10.015 -14.805 5.758 1.00 0.00 N ATOM 574 CA GLY A 42 -8.787 -15.297 5.162 1.00 0.00 C ATOM 575 C GLY A 42 -8.399 -14.528 3.915 1.00 0.00 C ATOM 576 O GLY A 42 -7.224 -14.476 3.550 1.00 0.00 O ATOM 0 H GLY A 42 -9.888 -14.085 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.980 -15.230 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.905 -16.352 4.913 1.00 0.00 H new ATOM 580 N ILE A 43 -9.388 -13.930 3.259 1.00 0.00 N ATOM 581 CA ILE A 43 -9.144 -13.161 2.045 1.00 0.00 C ATOM 582 C ILE A 43 -8.666 -11.751 2.375 1.00 0.00 C ATOM 583 O ILE A 43 -9.457 -10.892 2.766 1.00 0.00 O ATOM 584 CB ILE A 43 -10.409 -13.071 1.172 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.911 -14.472 0.817 1.00 0.00 C ATOM 586 CG2 ILE A 43 -10.126 -12.269 -0.090 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.376 -14.513 0.443 1.00 0.00 C ATOM 0 H ILE A 43 -10.366 -13.963 3.548 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.366 -13.685 1.490 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.187 -12.559 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.322 -14.861 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.742 -15.135 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.030 -12.214 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.810 -11.262 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.335 -12.756 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.662 -15.537 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.975 -14.155 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.548 -13.876 -0.425 1.00 0.00 H new ATOM 599 N ARG A 44 -7.368 -11.519 2.213 1.00 0.00 N ATOM 600 CA ARG A 44 -6.784 -10.213 2.493 1.00 0.00 C ATOM 601 C ARG A 44 -7.021 -9.252 1.332 1.00 0.00 C ATOM 602 O ARG A 44 -6.847 -9.614 0.168 1.00 0.00 O ATOM 603 CB ARG A 44 -5.284 -10.347 2.760 1.00 0.00 C ATOM 604 CG ARG A 44 -4.692 -9.169 3.517 1.00 0.00 C ATOM 605 CD ARG A 44 -3.227 -8.960 3.165 1.00 0.00 C ATOM 606 NE ARG A 44 -2.505 -8.260 4.223 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.184 -8.120 4.243 1.00 0.00 C ATOM 608 NH1 ARG A 44 -0.445 -8.630 3.266 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.599 -7.469 5.240 1.00 0.00 N ATOM 0 H ARG A 44 -6.700 -12.219 1.889 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.269 -9.809 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.105 -11.260 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.763 -10.456 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.256 -8.265 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.789 -9.338 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.756 -9.926 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.154 -8.390 2.238 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.044 -7.856 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.891 -9.131 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.569 -8.521 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.164 -7.075 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.415 -7.362 5.254 1.00 0.00 H new ATOM 623 N ARG A 45 -7.418 -8.026 1.656 1.00 0.00 N ATOM 624 CA ARG A 45 -7.680 -7.013 0.641 1.00 0.00 C ATOM 625 C ARG A 45 -7.095 -5.666 1.052 1.00 0.00 C ATOM 626 O ARG A 45 -6.775 -5.447 2.222 1.00 0.00 O ATOM 627 CB ARG A 45 -9.185 -6.876 0.404 1.00 0.00 C ATOM 628 CG ARG A 45 -9.855 -8.172 -0.024 1.00 0.00 C ATOM 629 CD ARG A 45 -11.285 -7.934 -0.484 1.00 0.00 C ATOM 630 NE ARG A 45 -12.139 -9.093 -0.236 1.00 0.00 N ATOM 631 CZ ARG A 45 -13.426 -9.140 -0.563 1.00 0.00 C ATOM 632 NH1 ARG A 45 -14.003 -8.101 -1.149 1.00 0.00 N ATOM 633 NH2 ARG A 45 -14.137 -10.230 -0.305 1.00 0.00 N ATOM 0 H ARG A 45 -7.565 -7.710 2.615 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.200 -7.330 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.657 -6.518 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.356 -6.119 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.283 -8.629 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.852 -8.877 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.693 -7.066 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.289 -7.701 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.725 -9.910 0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.459 -7.262 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.991 -8.140 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.696 -11.032 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.125 -10.266 -0.556 1.00 0.00 H new ATOM 647 N LEU A 46 -6.956 -4.766 0.085 1.00 0.00 N ATOM 648 CA LEU A 46 -6.408 -3.440 0.346 1.00 0.00 C ATOM 649 C LEU A 46 -7.423 -2.354 0.001 1.00 0.00 C ATOM 650 O LEU A 46 -8.238 -2.518 -0.907 1.00 0.00 O ATOM 651 CB LEU A 46 -5.125 -3.229 -0.460 1.00 0.00 C ATOM 652 CG LEU A 46 -3.832 -3.710 0.200 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.521 -2.877 1.434 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.933 -5.184 0.560 1.00 0.00 C ATOM 0 H LEU A 46 -7.215 -4.931 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.177 -3.372 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.233 -3.739 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.026 -2.165 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.016 -3.586 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.598 -3.234 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.404 -1.832 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.338 -2.968 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.004 -5.509 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.761 -5.333 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.107 -5.768 -0.344 1.00 0.00 H new ATOM 666 N TYR A 47 -7.365 -1.245 0.730 1.00 0.00 N ATOM 667 CA TYR A 47 -8.279 -0.132 0.502 1.00 0.00 C ATOM 668 C TYR A 47 -7.578 1.203 0.730 1.00 0.00 C ATOM 669 O TYR A 47 -6.885 1.391 1.730 1.00 0.00 O ATOM 670 CB TYR A 47 -9.495 -0.247 1.422 1.00 0.00 C ATOM 671 CG TYR A 47 -10.330 -1.483 1.172 1.00 0.00 C ATOM 672 CD1 TYR A 47 -11.043 -1.636 -0.010 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.404 -2.498 2.118 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.807 -2.763 -0.243 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.165 -3.629 1.894 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.865 -3.757 0.712 1.00 0.00 C ATOM 677 OH TYR A 47 -12.624 -4.882 0.484 1.00 0.00 O ATOM 0 H TYR A 47 -6.695 -1.093 1.484 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.612 -0.174 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.157 -0.251 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.121 0.636 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.999 -0.860 -0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.857 -2.401 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.356 -2.865 -1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.212 -4.409 2.640 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.556 -5.484 1.254 1.00 0.00 H new ATOM 687 N VAL A 48 -7.766 2.130 -0.205 1.00 0.00 N ATOM 688 CA VAL A 48 -7.154 3.450 -0.107 1.00 0.00 C ATOM 689 C VAL A 48 -7.725 4.234 1.069 1.00 0.00 C ATOM 690 O VAL A 48 -8.844 4.742 1.004 1.00 0.00 O ATOM 691 CB VAL A 48 -7.359 4.261 -1.399 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.728 5.639 -1.271 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.788 3.513 -2.594 1.00 0.00 C ATOM 0 H VAL A 48 -8.337 1.991 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.087 3.293 0.049 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.429 4.392 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.883 6.197 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.189 6.175 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.659 5.534 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.942 4.101 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.721 3.349 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.292 2.552 -2.696 1.00 0.00 H new ATOM 703 N ASN A 49 -6.949 4.329 2.144 1.00 0.00 N ATOM 704 CA ASN A 49 -7.378 5.052 3.335 1.00 0.00 C ATOM 705 C ASN A 49 -7.662 6.515 3.011 1.00 0.00 C ATOM 706 O ASN A 49 -8.706 7.053 3.381 1.00 0.00 O ATOM 707 CB ASN A 49 -6.309 4.958 4.427 1.00 0.00 C ATOM 708 CG ASN A 49 -6.358 6.131 5.386 1.00 0.00 C ATOM 709 OD1 ASN A 49 -6.018 7.258 5.024 1.00 0.00 O ATOM 710 ND2 ASN A 49 -6.782 5.872 6.617 1.00 0.00 N ATOM 0 H ASN A 49 -6.020 3.914 2.214 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.298 4.593 3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.443 4.031 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.323 4.912 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.836 6.622 7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.054 4.923 6.874 1.00 0.00 H new ATOM 717 N SER A 50 -6.725 7.154 2.317 1.00 0.00 N ATOM 718 CA SER A 50 -6.873 8.557 1.945 1.00 0.00 C ATOM 719 C SER A 50 -6.104 8.863 0.663 1.00 0.00 C ATOM 720 O SER A 50 -5.335 8.035 0.174 1.00 0.00 O ATOM 721 CB SER A 50 -6.381 9.461 3.077 1.00 0.00 C ATOM 722 OG SER A 50 -4.968 9.433 3.174 1.00 0.00 O ATOM 0 H SER A 50 -5.856 6.723 2.001 1.00 0.00 H new ATOM 0 HA SER A 50 -7.931 8.751 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.716 10.483 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.820 9.138 4.021 1.00 0.00 H new ATOM 0 HG SER A 50 -4.697 8.732 3.803 1.00 0.00 H new ATOM 728 N VAL A 51 -6.317 10.059 0.124 1.00 0.00 N ATOM 729 CA VAL A 51 -5.644 10.476 -1.100 1.00 0.00 C ATOM 730 C VAL A 51 -5.165 11.920 -0.999 1.00 0.00 C ATOM 731 O VAL A 51 -5.864 12.782 -0.467 1.00 0.00 O ATOM 732 CB VAL A 51 -6.570 10.339 -2.324 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.929 10.970 -3.551 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.902 8.877 -2.579 1.00 0.00 C ATOM 0 H VAL A 51 -6.950 10.756 0.516 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.784 9.819 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.500 10.868 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.597 10.864 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.746 12.028 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.984 10.471 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.557 8.799 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.983 8.323 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.405 8.461 -1.706 1.00 0.00 H new ATOM 744 N LYS A 52 -3.967 12.177 -1.513 1.00 0.00 N ATOM 745 CA LYS A 52 -3.392 13.516 -1.483 1.00 0.00 C ATOM 746 C LYS A 52 -4.360 14.537 -2.072 1.00 0.00 C ATOM 747 O LYS A 52 -5.411 14.175 -2.601 1.00 0.00 O ATOM 748 CB LYS A 52 -2.071 13.545 -2.255 1.00 0.00 C ATOM 749 CG LYS A 52 -2.203 13.103 -3.702 1.00 0.00 C ATOM 750 CD LYS A 52 -0.958 12.376 -4.179 1.00 0.00 C ATOM 751 CE LYS A 52 0.259 13.289 -4.170 1.00 0.00 C ATOM 752 NZ LYS A 52 0.796 13.483 -2.794 1.00 0.00 N ATOM 0 H LYS A 52 -3.375 11.474 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.202 13.779 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.666 14.557 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.351 12.900 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.069 12.450 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.382 13.973 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.772 11.513 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.121 11.996 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.036 12.865 -4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.009 14.256 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.495 14.410 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.433 12.734 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.835 13.441 -2.818 1.00 0.00 H new ATOM 766 N GLU A 53 -3.997 15.813 -1.979 1.00 0.00 N ATOM 767 CA GLU A 53 -4.835 16.885 -2.505 1.00 0.00 C ATOM 768 C GLU A 53 -4.166 17.562 -3.698 1.00 0.00 C ATOM 769 O GLU A 53 -2.977 17.880 -3.660 1.00 0.00 O ATOM 770 CB GLU A 53 -5.124 17.917 -1.414 1.00 0.00 C ATOM 771 CG GLU A 53 -3.960 18.854 -1.138 1.00 0.00 C ATOM 772 CD GLU A 53 -4.122 19.620 0.160 1.00 0.00 C ATOM 773 OE1 GLU A 53 -4.908 20.590 0.183 1.00 0.00 O ATOM 774 OE2 GLU A 53 -3.462 19.249 1.154 1.00 0.00 O ATOM 0 H GLU A 53 -3.130 16.129 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.776 16.447 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.993 18.507 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.386 17.396 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.035 18.278 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.864 19.560 -1.963 1.00 0.00 H new ATOM 781 N THR A 54 -4.939 17.780 -4.757 1.00 0.00 N ATOM 782 CA THR A 54 -4.423 18.418 -5.962 1.00 0.00 C ATOM 783 C THR A 54 -3.072 17.833 -6.358 1.00 0.00 C ATOM 784 O THR A 54 -2.195 18.545 -6.845 1.00 0.00 O ATOM 785 CB THR A 54 -4.276 19.939 -5.773 1.00 0.00 C ATOM 786 OG1 THR A 54 -3.070 20.229 -5.057 1.00 0.00 O ATOM 787 CG2 THR A 54 -5.468 20.509 -5.020 1.00 0.00 C ATOM 0 H THR A 54 -5.925 17.524 -4.805 1.00 0.00 H new ATOM 0 HA THR A 54 -5.145 18.226 -6.756 1.00 0.00 H new ATOM 0 HB THR A 54 -4.234 20.403 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.910 19.530 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.341 21.585 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.381 20.312 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.537 20.039 -4.039 1.00 0.00 H new ATOM 795 N GLY A 55 -2.911 16.530 -6.146 1.00 0.00 N ATOM 796 CA GLY A 55 -1.664 15.872 -6.487 1.00 0.00 C ATOM 797 C GLY A 55 -1.779 15.024 -7.739 1.00 0.00 C ATOM 798 O GLY A 55 -2.452 15.407 -8.697 1.00 0.00 O ATOM 0 H GLY A 55 -3.622 15.919 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.888 16.624 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.349 15.244 -5.654 1.00 0.00 H new ATOM 802 N LEU A 56 -1.121 13.871 -7.732 1.00 0.00 N ATOM 803 CA LEU A 56 -1.151 12.966 -8.877 1.00 0.00 C ATOM 804 C LEU A 56 -2.216 11.890 -8.693 1.00 0.00 C ATOM 805 O LEU A 56 -3.139 11.772 -9.499 1.00 0.00 O ATOM 806 CB LEU A 56 0.219 12.315 -9.074 1.00 0.00 C ATOM 807 CG LEU A 56 1.429 13.237 -8.915 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.686 12.425 -8.644 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.607 14.101 -10.155 1.00 0.00 C ATOM 0 H LEU A 56 -0.560 13.540 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.400 13.550 -9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.316 11.496 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.250 11.876 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 56 1.253 13.892 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.537 13.097 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.557 11.850 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.867 11.745 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.472 14.751 -10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.761 13.462 -11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.715 14.710 -10.305 1.00 0.00 H new ATOM 821 N ALA A 57 -2.083 11.109 -7.626 1.00 0.00 N ATOM 822 CA ALA A 57 -3.036 10.046 -7.334 1.00 0.00 C ATOM 823 C ALA A 57 -4.454 10.461 -7.712 1.00 0.00 C ATOM 824 O ALA A 57 -5.079 9.850 -8.579 1.00 0.00 O ATOM 825 CB ALA A 57 -2.970 9.668 -5.861 1.00 0.00 C ATOM 0 H ALA A 57 -1.324 11.193 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.768 9.176 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.687 8.873 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.965 9.321 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.210 10.539 -5.251 1.00 0.00 H new ATOM 831 N SER A 58 -4.956 11.502 -7.056 1.00 0.00 N ATOM 832 CA SER A 58 -6.303 11.995 -7.320 1.00 0.00 C ATOM 833 C SER A 58 -6.519 12.207 -8.816 1.00 0.00 C ATOM 834 O SER A 58 -7.441 11.646 -9.408 1.00 0.00 O ATOM 835 CB SER A 58 -6.547 13.304 -6.567 1.00 0.00 C ATOM 836 OG SER A 58 -5.862 14.381 -7.182 1.00 0.00 O ATOM 0 H SER A 58 -4.450 12.021 -6.338 1.00 0.00 H new ATOM 0 HA SER A 58 -7.013 11.246 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.616 13.517 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.215 13.200 -5.534 1.00 0.00 H new ATOM 0 HG SER A 58 -6.035 15.206 -6.683 1.00 0.00 H new ATOM 842 N LYS A 59 -5.663 13.023 -9.421 1.00 0.00 N ATOM 843 CA LYS A 59 -5.757 13.311 -10.847 1.00 0.00 C ATOM 844 C LYS A 59 -6.021 12.037 -11.643 1.00 0.00 C ATOM 845 O LYS A 59 -7.007 11.942 -12.374 1.00 0.00 O ATOM 846 CB LYS A 59 -4.469 13.975 -11.341 1.00 0.00 C ATOM 847 CG LYS A 59 -4.428 15.474 -11.102 1.00 0.00 C ATOM 848 CD LYS A 59 -3.369 16.147 -11.958 1.00 0.00 C ATOM 849 CE LYS A 59 -2.026 15.441 -11.840 1.00 0.00 C ATOM 850 NZ LYS A 59 -0.926 16.237 -12.452 1.00 0.00 N ATOM 0 H LYS A 59 -4.895 13.497 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.593 13.994 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.617 13.513 -10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.357 13.782 -12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.404 15.905 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.225 15.670 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.689 16.150 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.262 17.188 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.802 15.260 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.084 14.467 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.028 15.723 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.127 16.389 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.854 17.157 -11.972 1.00 0.00 H new ATOM 864 N LYS A 60 -5.136 11.057 -11.495 1.00 0.00 N ATOM 865 CA LYS A 60 -5.274 9.787 -12.197 1.00 0.00 C ATOM 866 C LYS A 60 -6.682 9.225 -12.033 1.00 0.00 C ATOM 867 O LYS A 60 -7.420 9.077 -13.006 1.00 0.00 O ATOM 868 CB LYS A 60 -4.247 8.779 -11.677 1.00 0.00 C ATOM 869 CG LYS A 60 -2.810 9.255 -11.800 1.00 0.00 C ATOM 870 CD LYS A 60 -2.405 9.436 -13.254 1.00 0.00 C ATOM 871 CE LYS A 60 -1.063 10.140 -13.375 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.717 10.436 -14.793 1.00 0.00 N ATOM 0 H LYS A 60 -4.314 11.119 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.094 9.965 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.461 8.563 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.359 7.844 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.692 10.199 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.145 8.535 -11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.352 8.463 -13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.168 10.013 -13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.088 11.069 -12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.285 9.517 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.205 10.916 -14.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.668 9.547 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.446 11.052 -15.207 1.00 0.00 H new ATOM 886 N GLY A 61 -7.050 8.915 -10.793 1.00 0.00 N ATOM 887 CA GLY A 61 -8.370 8.374 -10.524 1.00 0.00 C ATOM 888 C GLY A 61 -8.435 7.636 -9.202 1.00 0.00 C ATOM 889 O GLY A 61 -9.158 6.647 -9.069 1.00 0.00 O ATOM 0 H GLY A 61 -6.458 9.029 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.098 9.185 -10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.653 7.696 -11.329 1.00 0.00 H new ATOM 893 N LEU A 62 -7.678 8.114 -8.221 1.00 0.00 N ATOM 894 CA LEU A 62 -7.652 7.492 -6.902 1.00 0.00 C ATOM 895 C LEU A 62 -8.460 8.308 -5.898 1.00 0.00 C ATOM 896 O LEU A 62 -8.601 9.523 -6.040 1.00 0.00 O ATOM 897 CB LEU A 62 -6.209 7.346 -6.414 1.00 0.00 C ATOM 898 CG LEU A 62 -5.502 6.044 -6.791 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.994 6.239 -6.801 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.890 4.929 -5.831 1.00 0.00 C ATOM 0 H LEU A 62 -7.074 8.931 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.103 6.503 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.627 8.179 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.203 7.438 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.818 5.759 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.508 5.302 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.731 7.007 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.661 6.548 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.377 4.010 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.603 5.206 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.968 4.771 -5.873 1.00 0.00 H new ATOM 912 N LYS A 63 -8.986 7.634 -4.882 1.00 0.00 N ATOM 913 CA LYS A 63 -9.777 8.296 -3.851 1.00 0.00 C ATOM 914 C LYS A 63 -9.905 7.414 -2.613 1.00 0.00 C ATOM 915 O LYS A 63 -9.664 6.208 -2.671 1.00 0.00 O ATOM 916 CB LYS A 63 -11.167 8.642 -4.390 1.00 0.00 C ATOM 917 CG LYS A 63 -11.237 10.000 -5.066 1.00 0.00 C ATOM 918 CD LYS A 63 -12.618 10.619 -4.934 1.00 0.00 C ATOM 919 CE LYS A 63 -12.844 11.704 -5.975 1.00 0.00 C ATOM 920 NZ LYS A 63 -13.830 12.720 -5.512 1.00 0.00 N ATOM 0 H LYS A 63 -8.879 6.628 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.264 9.215 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.473 7.875 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.883 8.617 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.495 10.666 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.984 9.896 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.377 9.844 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.735 11.041 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.897 12.194 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.197 11.251 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.956 13.442 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.741 12.257 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.481 13.171 -4.642 1.00 0.00 H new ATOM 934 N ALA A 64 -10.288 8.022 -1.496 1.00 0.00 N ATOM 935 CA ALA A 64 -10.452 7.292 -0.245 1.00 0.00 C ATOM 936 C ALA A 64 -11.533 6.223 -0.371 1.00 0.00 C ATOM 937 O ALA A 64 -12.720 6.534 -0.447 1.00 0.00 O ATOM 938 CB ALA A 64 -10.785 8.251 0.887 1.00 0.00 C ATOM 0 H ALA A 64 -10.491 9.020 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.509 6.794 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.905 7.691 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.977 8.974 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.712 8.776 0.658 1.00 0.00 H new ATOM 944 N GLY A 65 -11.112 4.962 -0.394 1.00 0.00 N ATOM 945 CA GLY A 65 -12.057 3.867 -0.512 1.00 0.00 C ATOM 946 C GLY A 65 -11.665 2.877 -1.590 1.00 0.00 C ATOM 947 O GLY A 65 -11.767 1.665 -1.396 1.00 0.00 O ATOM 0 H GLY A 65 -10.134 4.679 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.129 3.349 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.046 4.267 -0.733 1.00 0.00 H new ATOM 951 N ASP A 66 -11.218 3.392 -2.730 1.00 0.00 N ATOM 952 CA ASP A 66 -10.810 2.544 -3.844 1.00 0.00 C ATOM 953 C ASP A 66 -10.074 1.305 -3.343 1.00 0.00 C ATOM 954 O ASP A 66 -9.227 1.393 -2.455 1.00 0.00 O ATOM 955 CB ASP A 66 -9.919 3.327 -4.809 1.00 0.00 C ATOM 956 CG ASP A 66 -10.644 4.493 -5.451 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.207 5.324 -4.707 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.649 4.575 -6.697 1.00 0.00 O ATOM 0 H ASP A 66 -11.129 4.393 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.708 2.222 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.045 3.697 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.555 2.657 -5.587 1.00 0.00 H new ATOM 963 N GLU A 67 -10.404 0.153 -3.919 1.00 0.00 N ATOM 964 CA GLU A 67 -9.775 -1.103 -3.528 1.00 0.00 C ATOM 965 C GLU A 67 -8.706 -1.512 -4.537 1.00 0.00 C ATOM 966 O GLU A 67 -8.967 -1.588 -5.738 1.00 0.00 O ATOM 967 CB GLU A 67 -10.826 -2.209 -3.405 1.00 0.00 C ATOM 968 CG GLU A 67 -11.235 -2.810 -4.739 1.00 0.00 C ATOM 969 CD GLU A 67 -12.621 -3.424 -4.701 1.00 0.00 C ATOM 970 OE1 GLU A 67 -12.970 -4.037 -3.670 1.00 0.00 O ATOM 971 OE2 GLU A 67 -13.357 -3.292 -5.701 1.00 0.00 O ATOM 0 H GLU A 67 -11.102 0.064 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.299 -0.956 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.436 -3.000 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.710 -1.805 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.205 -2.036 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.511 -3.573 -5.027 1.00 0.00 H new ATOM 978 N ILE A 68 -7.501 -1.774 -4.040 1.00 0.00 N ATOM 979 CA ILE A 68 -6.393 -2.176 -4.897 1.00 0.00 C ATOM 980 C ILE A 68 -6.405 -3.681 -5.142 1.00 0.00 C ATOM 981 O ILE A 68 -6.768 -4.461 -4.261 1.00 0.00 O ATOM 982 CB ILE A 68 -5.036 -1.777 -4.287 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.091 -0.341 -3.762 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.927 -1.928 -5.317 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.356 0.687 -4.840 1.00 0.00 C ATOM 0 H ILE A 68 -7.268 -1.715 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.523 -1.655 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.821 -2.442 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.871 -0.270 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.147 -0.106 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.975 -1.642 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.876 -2.965 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.135 -1.285 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.382 1.682 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.563 0.644 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.314 0.477 -5.315 1.00 0.00 H new ATOM 997 N LEU A 69 -6.004 -4.082 -6.343 1.00 0.00 N ATOM 998 CA LEU A 69 -5.966 -5.495 -6.705 1.00 0.00 C ATOM 999 C LEU A 69 -4.528 -5.980 -6.857 1.00 0.00 C ATOM 1000 O LEU A 69 -4.178 -7.067 -6.399 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.736 -5.730 -8.005 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.156 -5.164 -8.056 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.534 -4.799 -9.483 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.149 -6.162 -7.479 1.00 0.00 C ATOM 0 H LEU A 69 -5.700 -3.449 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.438 -6.063 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.164 -5.297 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.788 -6.804 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.187 -4.258 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.547 -4.398 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.841 -4.049 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.485 -5.688 -10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.154 -5.742 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.115 -7.085 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.890 -6.375 -6.442 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.699 -5.165 -7.502 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.299 -5.511 -7.713 1.00 0.00 C ATOM 1018 C GLU A 70 -1.414 -4.270 -7.637 1.00 0.00 C ATOM 1019 O GLU A 70 -1.863 -3.157 -7.913 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.118 -6.197 -9.069 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.377 -7.694 -9.033 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.613 -8.443 -10.107 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.750 -8.082 -11.295 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -0.878 -9.392 -9.760 1.00 0.00 O ATOM 0 H GLU A 70 -3.973 -4.261 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.999 -6.199 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.792 -5.737 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.102 -6.021 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.097 -8.084 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.444 -7.878 -9.156 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.156 -4.470 -7.259 1.00 0.00 N ATOM 1032 CA ILE A 71 0.792 -3.368 -7.147 1.00 0.00 C ATOM 1033 C ILE A 71 2.113 -3.708 -7.828 1.00 0.00 C ATOM 1034 O ILE A 71 2.911 -4.485 -7.306 1.00 0.00 O ATOM 1035 CB ILE A 71 1.065 -3.008 -5.675 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.250 -2.723 -4.945 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.996 -1.808 -5.587 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.146 -2.852 -3.441 1.00 0.00 C ATOM 0 H ILE A 71 0.230 -5.385 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 71 0.339 -2.511 -7.645 1.00 0.00 H new ATOM 0 HB ILE A 71 1.551 -3.856 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.583 -1.715 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.014 -3.410 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.179 -1.566 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.941 -2.044 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.535 -0.953 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.114 -2.636 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.157 -3.867 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.595 -2.146 -3.066 1.00 0.00 H new ATOM 1050 N ASN A 72 2.338 -3.119 -8.998 1.00 0.00 N ATOM 1051 CA ASN A 72 3.564 -3.358 -9.752 1.00 0.00 C ATOM 1052 C ASN A 72 3.666 -4.820 -10.175 1.00 0.00 C ATOM 1053 O ASN A 72 4.735 -5.424 -10.106 1.00 0.00 O ATOM 1054 CB ASN A 72 4.785 -2.971 -8.914 1.00 0.00 C ATOM 1055 CG ASN A 72 5.186 -1.522 -9.111 1.00 0.00 C ATOM 1056 OD1 ASN A 72 6.150 -1.223 -9.815 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.445 -0.614 -8.487 1.00 0.00 N ATOM 0 H ASN A 72 1.688 -2.473 -9.445 1.00 0.00 H new ATOM 0 HA ASN A 72 3.536 -2.740 -10.650 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.569 -3.145 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.623 -3.616 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.666 0.377 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.654 -0.908 -7.913 1.00 0.00 H new ATOM 1064 N ASN A 73 2.544 -5.382 -10.614 1.00 0.00 N ATOM 1065 CA ASN A 73 2.507 -6.774 -11.049 1.00 0.00 C ATOM 1066 C ASN A 73 2.722 -7.718 -9.871 1.00 0.00 C ATOM 1067 O ASN A 73 3.319 -8.785 -10.018 1.00 0.00 O ATOM 1068 CB ASN A 73 3.572 -7.024 -12.119 1.00 0.00 C ATOM 1069 CG ASN A 73 3.533 -5.989 -13.227 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.461 -5.598 -13.689 1.00 0.00 O ATOM 1071 ND2 ASN A 73 4.706 -5.541 -13.659 1.00 0.00 N ATOM 0 H ASN A 73 1.650 -4.896 -10.678 1.00 0.00 H new ATOM 0 HA ASN A 73 1.522 -6.970 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.558 -7.018 -11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.427 -8.016 -12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.743 -4.844 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.570 -5.893 -13.247 1.00 0.00 H new ATOM 1078 N ARG A 74 2.232 -7.319 -8.702 1.00 0.00 N ATOM 1079 CA ARG A 74 2.371 -8.129 -7.498 1.00 0.00 C ATOM 1080 C ARG A 74 1.044 -8.222 -6.749 1.00 0.00 C ATOM 1081 O ARG A 74 0.314 -7.238 -6.636 1.00 0.00 O ATOM 1082 CB ARG A 74 3.445 -7.539 -6.582 1.00 0.00 C ATOM 1083 CG ARG A 74 4.858 -7.700 -7.119 1.00 0.00 C ATOM 1084 CD ARG A 74 5.483 -9.008 -6.660 1.00 0.00 C ATOM 1085 NE ARG A 74 6.460 -9.514 -7.620 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.332 -10.477 -7.342 1.00 0.00 C ATOM 1087 NH1 ARG A 74 7.348 -11.035 -6.140 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.191 -10.884 -8.269 1.00 0.00 N ATOM 0 H ARG A 74 1.735 -6.439 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 74 2.670 -9.133 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.241 -6.479 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.380 -8.017 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.840 -7.667 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.473 -6.865 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.967 -8.860 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.700 -9.752 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 74 6.474 -9.106 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.690 -10.725 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.019 -11.774 -5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.182 -10.457 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.860 -11.623 -8.055 1.00 0.00 H new ATOM 1102 N ALA A 75 0.740 -9.412 -6.241 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.497 -9.633 -5.503 1.00 0.00 C ATOM 1104 C ALA A 75 -0.483 -8.887 -4.172 1.00 0.00 C ATOM 1105 O ALA A 75 0.304 -9.203 -3.281 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.716 -11.121 -5.273 1.00 0.00 C ATOM 0 H ALA A 75 1.333 -10.237 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.322 -9.243 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.644 -11.271 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.779 -11.632 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.117 -11.527 -4.700 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.359 -7.896 -4.046 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.448 -7.106 -2.824 1.00 0.00 C ATOM 1114 C ALA A 76 -1.335 -7.992 -1.588 1.00 0.00 C ATOM 1115 O ALA A 76 -0.467 -7.784 -0.741 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.752 -6.322 -2.796 1.00 0.00 C ATOM 0 H ALA A 76 -2.017 -7.621 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.614 -6.404 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.805 -5.737 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.793 -5.653 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.593 -7.014 -2.834 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.217 -8.981 -1.492 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.216 -9.899 -0.359 1.00 0.00 C ATOM 1124 C ASP A 77 -0.824 -10.483 -0.135 1.00 0.00 C ATOM 1125 O ASP A 77 -0.426 -10.745 1.000 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.225 -11.026 -0.587 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.884 -11.871 -1.799 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -3.173 -11.430 -2.931 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.328 -12.974 -1.614 1.00 0.00 O ATOM 0 H ASP A 77 -2.942 -9.167 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.504 -9.339 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.261 -11.662 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.220 -10.599 -0.713 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.091 -10.685 -1.224 1.00 0.00 N ATOM 1135 CA ALA A 78 1.256 -11.238 -1.146 1.00 0.00 C ATOM 1136 C ALA A 78 2.240 -10.209 -0.599 1.00 0.00 C ATOM 1137 O ALA A 78 3.238 -10.563 0.030 1.00 0.00 O ATOM 1138 CB ALA A 78 1.706 -11.725 -2.515 1.00 0.00 C ATOM 0 H ALA A 78 -0.407 -10.474 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 78 1.236 -12.085 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.713 -12.135 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.024 -12.498 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.704 -10.891 -3.217 1.00 0.00 H new ATOM 1144 N LEU A 79 1.954 -8.935 -0.843 1.00 0.00 N ATOM 1145 CA LEU A 79 2.814 -7.854 -0.374 1.00 0.00 C ATOM 1146 C LEU A 79 2.413 -7.407 1.028 1.00 0.00 C ATOM 1147 O LEU A 79 1.234 -7.196 1.308 1.00 0.00 O ATOM 1148 CB LEU A 79 2.748 -6.669 -1.339 1.00 0.00 C ATOM 1149 CG LEU A 79 2.896 -7.003 -2.824 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.548 -5.795 -3.680 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.308 -7.483 -3.124 1.00 0.00 C ATOM 0 H LEU A 79 1.133 -8.625 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 79 3.837 -8.227 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.794 -6.161 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.530 -5.961 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 79 2.201 -7.807 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.659 -6.051 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.518 -5.496 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.217 -4.970 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.395 -7.716 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.021 -6.701 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.521 -8.377 -2.537 1.00 0.00 H new ATOM 1163 N ASN A 80 3.402 -7.262 1.903 1.00 0.00 N ATOM 1164 CA ASN A 80 3.152 -6.838 3.276 1.00 0.00 C ATOM 1165 C ASN A 80 3.583 -5.390 3.485 1.00 0.00 C ATOM 1166 O ASN A 80 4.199 -4.782 2.609 1.00 0.00 O ATOM 1167 CB ASN A 80 3.893 -7.749 4.257 1.00 0.00 C ATOM 1168 CG ASN A 80 5.378 -7.831 3.960 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.899 -7.083 3.134 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.066 -8.745 4.635 1.00 0.00 N ATOM 0 H ASN A 80 4.384 -7.432 1.686 1.00 0.00 H new ATOM 0 HA ASN A 80 2.080 -6.910 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.748 -7.380 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.461 -8.749 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.069 -8.848 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.592 -9.344 5.311 1.00 0.00 H new ATOM 1177 N SER A 81 3.257 -4.843 4.651 1.00 0.00 N ATOM 1178 CA SER A 81 3.608 -3.465 4.975 1.00 0.00 C ATOM 1179 C SER A 81 5.022 -3.139 4.503 1.00 0.00 C ATOM 1180 O SER A 81 5.264 -2.088 3.910 1.00 0.00 O ATOM 1181 CB SER A 81 3.493 -3.227 6.482 1.00 0.00 C ATOM 1182 OG SER A 81 2.186 -3.518 6.946 1.00 0.00 O ATOM 0 H SER A 81 2.750 -5.333 5.388 1.00 0.00 H new ATOM 0 HA SER A 81 2.910 -2.807 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.216 -3.850 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.741 -2.190 6.710 1.00 0.00 H new ATOM 0 HG SER A 81 2.139 -3.360 7.912 1.00 0.00 H new ATOM 1188 N SER A 82 5.952 -4.050 4.772 1.00 0.00 N ATOM 1189 CA SER A 82 7.344 -3.859 4.379 1.00 0.00 C ATOM 1190 C SER A 82 7.453 -3.583 2.883 1.00 0.00 C ATOM 1191 O SER A 82 8.002 -2.563 2.467 1.00 0.00 O ATOM 1192 CB SER A 82 8.172 -5.093 4.744 1.00 0.00 C ATOM 1193 OG SER A 82 9.532 -4.918 4.386 1.00 0.00 O ATOM 0 H SER A 82 5.767 -4.927 5.260 1.00 0.00 H new ATOM 0 HA SER A 82 7.734 -2.996 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.096 -5.282 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.769 -5.969 4.236 1.00 0.00 H new ATOM 0 HG SER A 82 10.040 -5.719 4.631 1.00 0.00 H new ATOM 1199 N MET A 83 6.926 -4.501 2.078 1.00 0.00 N ATOM 1200 CA MET A 83 6.963 -4.356 0.628 1.00 0.00 C ATOM 1201 C MET A 83 6.215 -3.102 0.187 1.00 0.00 C ATOM 1202 O MET A 83 6.739 -2.292 -0.579 1.00 0.00 O ATOM 1203 CB MET A 83 6.355 -5.589 -0.045 1.00 0.00 C ATOM 1204 CG MET A 83 7.325 -6.753 -0.169 1.00 0.00 C ATOM 1205 SD MET A 83 6.526 -8.264 -0.743 1.00 0.00 S ATOM 1206 CE MET A 83 6.195 -9.085 0.814 1.00 0.00 C ATOM 0 H MET A 83 6.469 -5.352 2.406 1.00 0.00 H new ATOM 0 HA MET A 83 8.006 -4.261 0.324 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.484 -5.912 0.525 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.002 -5.314 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.123 -6.484 -0.860 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.790 -6.938 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.268 -10.164 0.679 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.924 -8.762 1.558 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.192 -8.829 1.154 1.00 0.00 H new ATOM 1216 N LEU A 84 4.989 -2.947 0.675 1.00 0.00 N ATOM 1217 CA LEU A 84 4.169 -1.791 0.331 1.00 0.00 C ATOM 1218 C LEU A 84 4.956 -0.495 0.501 1.00 0.00 C ATOM 1219 O LEU A 84 4.889 0.400 -0.341 1.00 0.00 O ATOM 1220 CB LEU A 84 2.912 -1.756 1.201 1.00 0.00 C ATOM 1221 CG LEU A 84 1.754 -2.645 0.745 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.789 -2.896 1.893 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.030 -2.013 -0.435 1.00 0.00 C ATOM 0 H LEU A 84 4.541 -3.608 1.310 1.00 0.00 H new ATOM 0 HA LEU A 84 3.877 -1.882 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.188 -2.045 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.556 -0.727 1.249 1.00 0.00 H new ATOM 0 HG LEU A 84 2.161 -3.604 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.028 -3.530 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.315 -3.392 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.387 -1.946 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.209 -2.659 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.635 -1.040 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.727 -1.886 -1.264 1.00 0.00 H new ATOM 1235 N LYS A 85 5.703 -0.403 1.596 1.00 0.00 N ATOM 1236 CA LYS A 85 6.506 0.781 1.877 1.00 0.00 C ATOM 1237 C LYS A 85 7.450 1.086 0.718 1.00 0.00 C ATOM 1238 O LYS A 85 7.511 2.217 0.235 1.00 0.00 O ATOM 1239 CB LYS A 85 7.310 0.584 3.164 1.00 0.00 C ATOM 1240 CG LYS A 85 7.620 1.881 3.892 1.00 0.00 C ATOM 1241 CD LYS A 85 8.309 1.623 5.222 1.00 0.00 C ATOM 1242 CE LYS A 85 7.318 1.174 6.285 1.00 0.00 C ATOM 1243 NZ LYS A 85 6.603 2.327 6.900 1.00 0.00 N ATOM 0 H LYS A 85 5.769 -1.135 2.304 1.00 0.00 H new ATOM 0 HA LYS A 85 5.829 1.626 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.755 -0.074 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.246 0.079 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.257 2.507 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.696 2.434 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.077 0.860 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.814 2.530 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.593 0.492 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.845 0.618 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.937 1.979 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.292 2.965 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.080 2.843 6.164 1.00 0.00 H new ATOM 1257 N ASP A 86 8.183 0.070 0.275 1.00 0.00 N ATOM 1258 CA ASP A 86 9.122 0.229 -0.829 1.00 0.00 C ATOM 1259 C ASP A 86 8.427 0.817 -2.053 1.00 0.00 C ATOM 1260 O ASP A 86 8.919 1.765 -2.664 1.00 0.00 O ATOM 1261 CB ASP A 86 9.757 -1.116 -1.184 1.00 0.00 C ATOM 1262 CG ASP A 86 10.743 -1.587 -0.133 1.00 0.00 C ATOM 1263 OD1 ASP A 86 10.387 -1.570 1.064 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.869 -1.973 -0.508 1.00 0.00 O ATOM 0 H ASP A 86 8.145 -0.872 0.664 1.00 0.00 H new ATOM 0 HA ASP A 86 9.904 0.919 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.973 -1.864 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.266 -1.032 -2.144 1.00 0.00 H new ATOM 1269 N PHE A 87 7.280 0.246 -2.406 1.00 0.00 N ATOM 1270 CA PHE A 87 6.517 0.712 -3.559 1.00 0.00 C ATOM 1271 C PHE A 87 6.242 2.209 -3.460 1.00 0.00 C ATOM 1272 O PHE A 87 6.405 2.948 -4.432 1.00 0.00 O ATOM 1273 CB PHE A 87 5.198 -0.055 -3.668 1.00 0.00 C ATOM 1274 CG PHE A 87 5.349 -1.429 -4.255 1.00 0.00 C ATOM 1275 CD1 PHE A 87 5.931 -1.605 -5.499 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.908 -2.545 -3.562 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.073 -2.868 -6.042 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.047 -3.811 -4.099 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.629 -3.972 -5.341 1.00 0.00 C ATOM 0 H PHE A 87 6.858 -0.540 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 87 7.111 0.528 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.753 -0.139 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.503 0.519 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.278 -0.745 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.450 -2.424 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.530 -2.991 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.701 -4.673 -3.548 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.737 -4.960 -5.764 1.00 0.00 H new ATOM 1289 N LEU A 88 5.823 2.651 -2.279 1.00 0.00 N ATOM 1290 CA LEU A 88 5.524 4.060 -2.051 1.00 0.00 C ATOM 1291 C LEU A 88 6.799 4.898 -2.076 1.00 0.00 C ATOM 1292 O LEU A 88 6.750 6.115 -2.254 1.00 0.00 O ATOM 1293 CB LEU A 88 4.808 4.240 -0.712 1.00 0.00 C ATOM 1294 CG LEU A 88 3.429 3.590 -0.595 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.024 3.455 0.864 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.393 4.395 -1.366 1.00 0.00 C ATOM 0 H LEU A 88 5.683 2.053 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 88 4.871 4.402 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.445 3.837 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.702 5.308 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 88 3.481 2.592 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.040 2.990 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.752 2.836 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.989 4.442 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.418 3.918 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.343 5.406 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.675 4.439 -2.418 1.00 0.00 H new ATOM 1308 N SER A 89 7.938 4.238 -1.898 1.00 0.00 N ATOM 1309 CA SER A 89 9.226 4.922 -1.898 1.00 0.00 C ATOM 1310 C SER A 89 9.841 4.922 -3.294 1.00 0.00 C ATOM 1311 O SER A 89 11.062 4.885 -3.446 1.00 0.00 O ATOM 1312 CB SER A 89 10.182 4.255 -0.907 1.00 0.00 C ATOM 1313 OG SER A 89 11.294 5.089 -0.632 1.00 0.00 O ATOM 0 H SER A 89 7.996 3.230 -1.752 1.00 0.00 H new ATOM 0 HA SER A 89 9.061 5.955 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.653 4.032 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.528 3.305 -1.314 1.00 0.00 H new ATOM 0 HG SER A 89 11.710 5.368 -1.474 1.00 0.00 H new ATOM 1319 N GLN A 90 8.986 4.964 -4.311 1.00 0.00 N ATOM 1320 CA GLN A 90 9.444 4.968 -5.695 1.00 0.00 C ATOM 1321 C GLN A 90 8.893 6.174 -6.448 1.00 0.00 C ATOM 1322 O GLN A 90 7.835 6.711 -6.119 1.00 0.00 O ATOM 1323 CB GLN A 90 9.022 3.677 -6.398 1.00 0.00 C ATOM 1324 CG GLN A 90 9.677 2.430 -5.826 1.00 0.00 C ATOM 1325 CD GLN A 90 11.191 2.478 -5.904 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.759 2.843 -6.934 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.852 2.108 -4.814 1.00 0.00 N ATOM 0 H GLN A 90 7.972 4.996 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 90 10.532 5.032 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.939 3.573 -6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.268 3.753 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.374 2.310 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.317 1.555 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.340 1.813 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.872 2.119 -4.808 1.00 0.00 H new ATOM 1336 N PRO A 91 9.627 6.612 -7.482 1.00 0.00 N ATOM 1337 CA PRO A 91 9.231 7.760 -8.303 1.00 0.00 C ATOM 1338 C PRO A 91 8.011 7.461 -9.168 1.00 0.00 C ATOM 1339 O PRO A 91 7.477 8.349 -9.832 1.00 0.00 O ATOM 1340 CB PRO A 91 10.460 8.010 -9.180 1.00 0.00 C ATOM 1341 CG PRO A 91 11.147 6.690 -9.253 1.00 0.00 C ATOM 1342 CD PRO A 91 10.898 6.020 -7.930 1.00 0.00 C ATOM 0 HA PRO A 91 8.944 8.617 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.174 8.363 -10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.109 8.771 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.754 6.090 -10.074 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.215 6.815 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.822 4.938 -8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.704 6.216 -7.223 1.00 0.00 H new ATOM 1350 N SER A 92 7.574 6.206 -9.153 1.00 0.00 N ATOM 1351 CA SER A 92 6.419 5.789 -9.939 1.00 0.00 C ATOM 1352 C SER A 92 5.701 4.619 -9.273 1.00 0.00 C ATOM 1353 O SER A 92 6.336 3.717 -8.725 1.00 0.00 O ATOM 1354 CB SER A 92 6.851 5.398 -11.354 1.00 0.00 C ATOM 1355 OG SER A 92 6.011 4.387 -11.883 1.00 0.00 O ATOM 0 H SER A 92 8.003 5.460 -8.605 1.00 0.00 H new ATOM 0 HA SER A 92 5.729 6.631 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.822 6.274 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.883 5.047 -11.339 1.00 0.00 H new ATOM 0 HG SER A 92 6.521 3.832 -12.509 1.00 0.00 H new ATOM 1361 N LEU A 93 4.374 4.641 -9.323 1.00 0.00 N ATOM 1362 CA LEU A 93 3.568 3.583 -8.724 1.00 0.00 C ATOM 1363 C LEU A 93 2.533 3.060 -9.715 1.00 0.00 C ATOM 1364 O LEU A 93 1.942 3.827 -10.474 1.00 0.00 O ATOM 1365 CB LEU A 93 2.870 4.097 -7.464 1.00 0.00 C ATOM 1366 CG LEU A 93 3.640 3.927 -6.154 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.593 2.480 -5.690 1.00 0.00 C ATOM 1368 CD2 LEU A 93 5.081 4.390 -6.318 1.00 0.00 C ATOM 0 H LEU A 93 3.833 5.380 -9.772 1.00 0.00 H new ATOM 0 HA LEU A 93 4.233 2.763 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.653 5.156 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.913 3.585 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 93 3.165 4.546 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.146 2.379 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.557 2.182 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.042 1.840 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.614 4.262 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.567 3.798 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.095 5.442 -6.602 1.00 0.00 H new ATOM 1380 N GLY A 94 2.317 1.748 -9.701 1.00 0.00 N ATOM 1381 CA GLY A 94 1.351 1.146 -10.601 1.00 0.00 C ATOM 1382 C GLY A 94 0.327 0.300 -9.871 1.00 0.00 C ATOM 1383 O GLY A 94 0.598 -0.848 -9.515 1.00 0.00 O ATOM 0 H GLY A 94 2.794 1.092 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.839 1.931 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.875 0.528 -11.330 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.853 0.868 -9.644 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.922 0.159 -8.949 1.00 0.00 C ATOM 1389 C LEU A 95 -3.033 -0.235 -9.917 1.00 0.00 C ATOM 1390 O LEU A 95 -3.190 0.370 -10.978 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.492 1.029 -7.828 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.468 1.701 -6.913 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.020 3.007 -6.361 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.071 0.767 -5.779 1.00 0.00 C ATOM 0 H LEU A 95 -1.093 1.817 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.502 -0.750 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.112 1.805 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.148 0.412 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.578 1.926 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.277 3.471 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.253 3.681 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.926 2.806 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.342 1.262 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.954 0.510 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.633 -0.142 -6.192 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.802 -1.252 -9.544 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.900 -1.727 -10.378 1.00 0.00 C ATOM 1408 C LEU A 96 -6.206 -1.761 -9.591 1.00 0.00 C ATOM 1409 O LEU A 96 -6.368 -2.562 -8.671 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.586 -3.119 -10.927 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.714 -3.809 -11.695 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -6.167 -2.949 -12.865 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.268 -5.180 -12.181 1.00 0.00 C ATOM 0 H LEU A 96 -3.685 -1.764 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.017 -1.033 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.720 -3.041 -11.585 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.296 -3.759 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.559 -3.942 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.970 -3.456 -13.400 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.528 -1.990 -12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.328 -2.784 -13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.084 -5.656 -12.725 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.407 -5.070 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.993 -5.798 -11.326 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.137 -0.887 -9.961 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.431 -0.819 -9.291 1.00 0.00 C ATOM 1427 C VAL A 97 -9.573 -1.020 -10.281 1.00 0.00 C ATOM 1428 O VAL A 97 -9.420 -0.780 -11.479 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.621 0.529 -8.572 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.671 0.643 -7.390 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.418 1.683 -9.542 1.00 0.00 C ATOM 0 H VAL A 97 -7.020 -0.216 -10.721 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.448 -1.621 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.642 0.578 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.820 1.602 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.869 -0.164 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.642 0.573 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.556 2.628 -9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.409 1.640 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.143 1.609 -10.352 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.718 -1.463 -9.773 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.887 -1.697 -10.612 1.00 0.00 C ATOM 1443 C ARG A 98 -12.784 -0.463 -10.652 1.00 0.00 C ATOM 1444 O ARG A 98 -12.906 0.262 -9.664 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.679 -2.900 -10.097 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.517 -3.582 -11.167 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.994 -4.952 -10.712 1.00 0.00 C ATOM 1448 NE ARG A 98 -14.547 -4.919 -9.361 1.00 0.00 N ATOM 1449 CZ ARG A 98 -13.829 -5.144 -8.267 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -12.535 -5.417 -8.363 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -14.405 -5.095 -7.072 1.00 0.00 N ATOM 0 H ARG A 98 -10.861 -1.667 -8.784 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.540 -1.906 -11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.985 -3.626 -9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.333 -2.574 -9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.377 -2.958 -11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.930 -3.685 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.751 -5.320 -11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.162 -5.655 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.540 -4.712 -9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.088 -5.455 -9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.986 -5.589 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.400 -4.884 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.853 -5.268 -6.232 1.00 0.00 H new ATOM 1465 N THR A 99 -13.411 -0.230 -11.801 1.00 0.00 N ATOM 1466 CA THR A 99 -14.295 0.916 -11.970 1.00 0.00 C ATOM 1467 C THR A 99 -15.378 0.627 -13.003 1.00 0.00 C ATOM 1468 O THR A 99 -15.175 -0.162 -13.926 1.00 0.00 O ATOM 1469 CB THR A 99 -13.512 2.171 -12.401 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.359 3.324 -12.332 1.00 0.00 O ATOM 1471 CG2 THR A 99 -12.975 2.014 -13.815 1.00 0.00 C ATOM 0 H THR A 99 -13.323 -0.820 -12.628 1.00 0.00 H new ATOM 0 HA THR A 99 -14.760 1.102 -11.002 1.00 0.00 H new ATOM 0 HB THR A 99 -12.669 2.298 -11.721 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.854 4.118 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.426 2.912 -14.097 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.308 1.153 -13.857 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.805 1.864 -14.505 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.529 1.271 -12.843 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.645 1.081 -13.761 1.00 0.00 C ATOM 1481 C TYR A 100 -17.359 1.736 -15.109 1.00 0.00 C ATOM 1482 O TYR A 100 -16.931 2.888 -15.190 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.929 1.659 -13.163 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.148 1.278 -11.716 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -19.833 0.117 -11.379 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -18.670 2.078 -10.686 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -20.036 -0.235 -10.058 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -18.866 1.734 -9.363 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.550 0.576 -9.054 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.750 0.230 -7.737 1.00 0.00 O ATOM 0 H TYR A 100 -16.713 1.929 -12.086 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.775 0.010 -13.918 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -18.900 2.746 -13.244 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.780 1.318 -13.753 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -20.213 -0.521 -12.163 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -18.135 2.986 -10.924 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -20.572 -1.140 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.486 2.367 -8.575 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.344 0.907 -7.156 1.00 0.00 H new