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 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= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.31) USER MOD Single : A 23 LYS NZ :NH3+ -115:sc= -0.581 (180deg=-4.09!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 143:sc= -0.469 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -57:sc= 0.319 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0035) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 3:sc= 0.463 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0725) 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= -2.17 K(o=-2.2,f=-7.6!) USER MOD Single : A 73 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.72) USER MOD Single : A 80 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.52) 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 83 MET CE :methyl -107:sc= -0.178 (180deg=-1.54!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -38:sc= 0.23 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 SER OG : rot 180:sc= 0 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 -18.183 -4.180 -14.711 1.00 0.00 N ATOM 160 CA LYS A 14 -17.192 -3.189 -14.310 1.00 0.00 C ATOM 161 C LYS A 14 -15.915 -3.332 -15.131 1.00 0.00 C ATOM 162 O LYS A 14 -15.591 -4.420 -15.609 1.00 0.00 O ATOM 163 CB LYS A 14 -16.872 -3.332 -12.820 1.00 0.00 C ATOM 164 CG LYS A 14 -18.000 -2.879 -11.909 1.00 0.00 C ATOM 165 CD LYS A 14 -18.984 -4.005 -11.639 1.00 0.00 C ATOM 166 CE LYS A 14 -19.686 -3.822 -10.302 1.00 0.00 C ATOM 167 NZ LYS A 14 -20.093 -5.124 -9.706 1.00 0.00 N ATOM 0 HA LYS A 14 -17.611 -2.199 -14.493 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.640 -4.375 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.977 -2.753 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.586 -2.522 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.523 -2.039 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.724 -4.042 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.458 -4.960 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.023 -3.299 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.566 -3.194 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.568 -4.956 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.745 -5.613 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.251 -5.714 -9.553 1.00 0.00 H new ATOM 181 N VAL A 15 -15.192 -2.228 -15.290 1.00 0.00 N ATOM 182 CA VAL A 15 -13.948 -2.232 -16.052 1.00 0.00 C ATOM 183 C VAL A 15 -12.765 -1.844 -15.173 1.00 0.00 C ATOM 184 O VAL A 15 -12.867 -0.948 -14.334 1.00 0.00 O ATOM 185 CB VAL A 15 -14.022 -1.268 -17.251 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.116 -1.698 -18.216 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.250 0.158 -16.774 1.00 0.00 C ATOM 0 H VAL A 15 -15.446 -1.320 -14.902 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.805 -3.248 -16.421 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.070 -1.302 -17.781 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.153 -1.005 -19.056 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.903 -2.702 -18.583 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.077 -1.696 -17.701 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.300 0.826 -17.634 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.187 0.211 -16.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.427 0.461 -16.126 1.00 0.00 H new ATOM 197 N THR A 16 -11.639 -2.524 -15.371 1.00 0.00 N ATOM 198 CA THR A 16 -10.435 -2.251 -14.596 1.00 0.00 C ATOM 199 C THR A 16 -9.620 -1.126 -15.225 1.00 0.00 C ATOM 200 O THR A 16 -9.506 -1.040 -16.447 1.00 0.00 O ATOM 201 CB THR A 16 -9.550 -3.505 -14.474 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.229 -4.007 -15.777 1.00 0.00 O ATOM 203 CG2 THR A 16 -10.251 -4.586 -13.667 1.00 0.00 C ATOM 0 H THR A 16 -11.536 -3.268 -16.062 1.00 0.00 H new ATOM 0 HA THR A 16 -10.761 -1.947 -13.601 1.00 0.00 H new ATOM 0 HB THR A 16 -8.632 -3.226 -13.956 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.665 -4.803 -15.691 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.606 -5.462 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.467 -4.211 -12.667 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.183 -4.862 -14.160 1.00 0.00 H new ATOM 211 N GLN A 17 -9.056 -0.268 -14.382 1.00 0.00 N ATOM 212 CA GLN A 17 -8.251 0.852 -14.857 1.00 0.00 C ATOM 213 C GLN A 17 -6.888 0.871 -14.173 1.00 0.00 C ATOM 214 O GLN A 17 -6.798 0.848 -12.945 1.00 0.00 O ATOM 215 CB GLN A 17 -8.980 2.173 -14.606 1.00 0.00 C ATOM 216 CG GLN A 17 -9.311 2.417 -13.143 1.00 0.00 C ATOM 217 CD GLN A 17 -9.925 3.782 -12.903 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.862 4.663 -13.761 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.524 3.965 -11.732 1.00 0.00 N ATOM 0 H GLN A 17 -9.141 -0.326 -13.367 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.097 0.728 -15.929 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.363 2.994 -14.972 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.903 2.185 -15.186 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.001 1.647 -12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.403 2.322 -12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.553 3.207 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.955 4.863 -11.515 1.00 0.00 H new ATOM 228 N SER A 18 -5.830 0.913 -14.975 1.00 0.00 N ATOM 229 CA SER A 18 -4.470 0.931 -14.447 1.00 0.00 C ATOM 230 C SER A 18 -3.999 2.362 -14.209 1.00 0.00 C ATOM 231 O SER A 18 -3.897 3.157 -15.145 1.00 0.00 O ATOM 232 CB SER A 18 -3.517 0.221 -15.411 1.00 0.00 C ATOM 233 OG SER A 18 -2.385 -0.286 -14.726 1.00 0.00 O ATOM 0 H SER A 18 -5.887 0.935 -15.993 1.00 0.00 H new ATOM 0 HA SER A 18 -4.469 0.404 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.040 -0.595 -15.910 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.196 0.915 -16.187 1.00 0.00 H new ATOM 0 HG SER A 18 -1.792 -0.737 -15.363 1.00 0.00 H new ATOM 239 N ILE A 19 -3.713 2.683 -12.952 1.00 0.00 N ATOM 240 CA ILE A 19 -3.252 4.017 -12.591 1.00 0.00 C ATOM 241 C ILE A 19 -1.732 4.060 -12.471 1.00 0.00 C ATOM 242 O ILE A 19 -1.164 3.607 -11.477 1.00 0.00 O ATOM 243 CB ILE A 19 -3.873 4.487 -11.262 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.352 4.827 -11.458 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.115 5.690 -10.719 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.275 3.645 -11.261 1.00 0.00 C ATOM 0 H ILE A 19 -3.793 2.037 -12.167 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.571 4.687 -13.389 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.798 3.677 -10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.631 5.616 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.495 5.226 -12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.566 6.010 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.074 5.417 -10.547 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.162 6.506 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.307 3.960 -11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.023 2.863 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.161 3.259 -10.248 1.00 0.00 H new ATOM 258 N HIS A 20 -1.079 4.608 -13.491 1.00 0.00 N ATOM 259 CA HIS A 20 0.376 4.713 -13.499 1.00 0.00 C ATOM 260 C HIS A 20 0.825 6.081 -12.997 1.00 0.00 C ATOM 261 O HIS A 20 0.738 7.077 -13.716 1.00 0.00 O ATOM 262 CB HIS A 20 0.917 4.471 -14.909 1.00 0.00 C ATOM 263 CG HIS A 20 0.024 4.994 -15.991 1.00 0.00 C ATOM 264 ND1 HIS A 20 -0.783 4.182 -16.759 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.187 6.256 -16.432 1.00 0.00 C ATOM 266 CE1 HIS A 20 -1.451 4.921 -17.626 1.00 0.00 C ATOM 267 NE2 HIS A 20 -1.108 6.184 -17.448 1.00 0.00 N ATOM 0 H HIS A 20 -1.534 4.986 -14.322 1.00 0.00 H new ATOM 0 HA HIS A 20 0.775 3.952 -12.829 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.896 4.941 -14.999 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.062 3.401 -15.055 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.282 7.153 -16.055 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.157 4.555 -18.356 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.469 6.977 -17.979 1.00 0.00 H new ATOM 276 N ILE A 21 1.305 6.123 -11.758 1.00 0.00 N ATOM 277 CA ILE A 21 1.767 7.369 -11.160 1.00 0.00 C ATOM 278 C ILE A 21 3.282 7.506 -11.278 1.00 0.00 C ATOM 279 O ILE A 21 4.007 6.513 -11.259 1.00 0.00 O ATOM 280 CB ILE A 21 1.368 7.464 -9.676 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.154 7.415 -9.530 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.924 8.738 -9.058 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.623 7.411 -8.092 1.00 0.00 C ATOM 0 H ILE A 21 1.384 5.308 -11.149 1.00 0.00 H new ATOM 0 HA ILE A 21 1.287 8.179 -11.708 1.00 0.00 H new ATOM 0 HB ILE A 21 1.793 6.611 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.588 8.273 -10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.530 6.522 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.633 8.790 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.011 8.735 -9.133 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.526 9.603 -9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.712 7.375 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.218 6.538 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.277 8.317 -7.594 1.00 0.00 H new ATOM 295 N GLU A 22 3.751 8.744 -11.398 1.00 0.00 N ATOM 296 CA GLU A 22 5.179 9.011 -11.517 1.00 0.00 C ATOM 297 C GLU A 22 5.524 10.389 -10.960 1.00 0.00 C ATOM 298 O GLU A 22 4.931 11.395 -11.348 1.00 0.00 O ATOM 299 CB GLU A 22 5.618 8.916 -12.980 1.00 0.00 C ATOM 300 CG GLU A 22 5.518 7.514 -13.556 1.00 0.00 C ATOM 301 CD GLU A 22 5.897 7.457 -15.023 1.00 0.00 C ATOM 302 OE1 GLU A 22 5.042 7.791 -15.870 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.048 7.079 -15.324 1.00 0.00 O ATOM 0 H GLU A 22 3.163 9.577 -11.415 1.00 0.00 H new ATOM 0 HA GLU A 22 5.712 8.259 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.005 9.590 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.648 9.262 -13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.168 6.846 -12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.499 7.147 -13.433 1.00 0.00 H new ATOM 310 N LYS A 23 6.488 10.426 -10.045 1.00 0.00 N ATOM 311 CA LYS A 23 6.914 11.679 -9.433 1.00 0.00 C ATOM 312 C LYS A 23 8.298 12.085 -9.931 1.00 0.00 C ATOM 313 O LYS A 23 9.056 11.254 -10.431 1.00 0.00 O ATOM 314 CB LYS A 23 6.928 11.547 -7.909 1.00 0.00 C ATOM 315 CG LYS A 23 5.557 11.703 -7.273 1.00 0.00 C ATOM 316 CD LYS A 23 5.656 12.286 -5.873 1.00 0.00 C ATOM 317 CE LYS A 23 4.409 13.078 -5.510 1.00 0.00 C ATOM 318 NZ LYS A 23 4.234 14.269 -6.386 1.00 0.00 N ATOM 0 H LYS A 23 6.989 9.602 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 23 6.202 12.454 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.335 10.572 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.600 12.298 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.938 12.350 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.062 10.733 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.800 11.481 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.531 12.933 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.533 12.434 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.472 13.398 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.323 15.135 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.964 14.265 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.293 14.240 -6.827 1.00 0.00 H new ATOM 332 N SER A 24 8.620 13.367 -9.791 1.00 0.00 N ATOM 333 CA SER A 24 9.911 13.883 -10.229 1.00 0.00 C ATOM 334 C SER A 24 11.019 13.461 -9.268 1.00 0.00 C ATOM 335 O SER A 24 11.905 12.685 -9.628 1.00 0.00 O ATOM 336 CB SER A 24 9.866 15.409 -10.333 1.00 0.00 C ATOM 337 OG SER A 24 8.834 15.829 -11.209 1.00 0.00 O ATOM 0 H SER A 24 8.004 14.067 -9.378 1.00 0.00 H new ATOM 0 HA SER A 24 10.127 13.465 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.706 15.840 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.826 15.781 -10.692 1.00 0.00 H new ATOM 0 HG SER A 24 8.824 16.808 -11.258 1.00 0.00 H new ATOM 343 N ASP A 25 10.962 13.977 -8.046 1.00 0.00 N ATOM 344 CA ASP A 25 11.959 13.653 -7.032 1.00 0.00 C ATOM 345 C ASP A 25 11.290 13.258 -5.719 1.00 0.00 C ATOM 346 O ASP A 25 10.860 14.115 -4.945 1.00 0.00 O ATOM 347 CB ASP A 25 12.892 14.844 -6.805 1.00 0.00 C ATOM 348 CG ASP A 25 14.012 14.525 -5.834 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.574 13.414 -5.922 1.00 0.00 O ATOM 350 OD2 ASP A 25 14.325 15.387 -4.986 1.00 0.00 O ATOM 0 H ASP A 25 10.236 14.622 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 25 12.544 12.806 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.319 15.154 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.315 15.687 -6.425 1.00 0.00 H new ATOM 355 N THR A 26 11.204 11.954 -5.473 1.00 0.00 N ATOM 356 CA THR A 26 10.586 11.445 -4.255 1.00 0.00 C ATOM 357 C THR A 26 11.193 12.095 -3.017 1.00 0.00 C ATOM 358 O THR A 26 10.533 12.227 -1.987 1.00 0.00 O ATOM 359 CB THR A 26 10.738 9.916 -4.145 1.00 0.00 C ATOM 360 OG1 THR A 26 12.095 9.539 -4.403 1.00 0.00 O ATOM 361 CG2 THR A 26 9.815 9.209 -5.125 1.00 0.00 C ATOM 0 H THR A 26 11.555 11.231 -6.102 1.00 0.00 H new ATOM 0 HA THR A 26 9.526 11.695 -4.310 1.00 0.00 H new ATOM 0 HB THR A 26 10.465 9.617 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.184 8.566 -4.329 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.940 8.130 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.781 9.475 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.062 9.514 -6.142 1.00 0.00 H new ATOM 369 N ALA A 27 12.454 12.501 -3.125 1.00 0.00 N ATOM 370 CA ALA A 27 13.149 13.140 -2.015 1.00 0.00 C ATOM 371 C ALA A 27 12.254 14.162 -1.323 1.00 0.00 C ATOM 372 O ALA A 27 12.211 14.234 -0.095 1.00 0.00 O ATOM 373 CB ALA A 27 14.429 13.802 -2.504 1.00 0.00 C ATOM 0 H ALA A 27 13.015 12.398 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 27 13.406 12.370 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.938 14.275 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.082 13.049 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.186 14.556 -3.252 1.00 0.00 H new ATOM 379 N ALA A 28 11.541 14.953 -2.119 1.00 0.00 N ATOM 380 CA ALA A 28 10.646 15.970 -1.582 1.00 0.00 C ATOM 381 C ALA A 28 9.192 15.655 -1.917 1.00 0.00 C ATOM 382 O ALA A 28 8.370 15.450 -1.024 1.00 0.00 O ATOM 383 CB ALA A 28 11.027 17.343 -2.116 1.00 0.00 C ATOM 0 H ALA A 28 11.566 14.909 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 28 10.749 15.972 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.350 18.093 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.050 17.577 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.954 17.343 -3.204 1.00 0.00 H new ATOM 389 N ASP A 29 8.883 15.618 -3.208 1.00 0.00 N ATOM 390 CA ASP A 29 7.527 15.327 -3.661 1.00 0.00 C ATOM 391 C ASP A 29 7.140 13.889 -3.330 1.00 0.00 C ATOM 392 O ASP A 29 7.797 12.942 -3.762 1.00 0.00 O ATOM 393 CB ASP A 29 7.408 15.566 -5.167 1.00 0.00 C ATOM 394 CG ASP A 29 8.205 16.771 -5.627 1.00 0.00 C ATOM 395 OD1 ASP A 29 9.424 16.623 -5.854 1.00 0.00 O ATOM 396 OD2 ASP A 29 7.610 17.861 -5.760 1.00 0.00 O ATOM 0 H ASP A 29 9.552 15.786 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 29 6.844 15.997 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.753 14.681 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.359 15.707 -5.428 1.00 0.00 H new ATOM 401 N THR A 30 6.069 13.733 -2.558 1.00 0.00 N ATOM 402 CA THR A 30 5.596 12.412 -2.166 1.00 0.00 C ATOM 403 C THR A 30 4.113 12.245 -2.475 1.00 0.00 C ATOM 404 O THR A 30 3.314 13.152 -2.240 1.00 0.00 O ATOM 405 CB THR A 30 5.828 12.154 -0.665 1.00 0.00 C ATOM 406 OG1 THR A 30 4.836 11.250 -0.164 1.00 0.00 O ATOM 407 CG2 THR A 30 5.778 13.456 0.122 1.00 0.00 C ATOM 0 H THR A 30 5.513 14.506 -2.192 1.00 0.00 H new ATOM 0 HA THR A 30 6.169 11.687 -2.744 1.00 0.00 H new ATOM 0 HB THR A 30 6.817 11.712 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.991 11.090 0.790 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.944 13.249 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.553 14.131 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.801 13.922 -0.007 1.00 0.00 H new ATOM 415 N TYR A 31 3.751 11.081 -3.003 1.00 0.00 N ATOM 416 CA TYR A 31 2.363 10.796 -3.346 1.00 0.00 C ATOM 417 C TYR A 31 1.409 11.460 -2.357 1.00 0.00 C ATOM 418 O TYR A 31 0.731 12.431 -2.687 1.00 0.00 O ATOM 419 CB TYR A 31 2.121 9.286 -3.370 1.00 0.00 C ATOM 420 CG TYR A 31 3.005 8.546 -4.348 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.213 9.032 -5.632 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.634 7.361 -3.986 1.00 0.00 C ATOM 423 CE1 TYR A 31 4.020 8.359 -6.529 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.444 6.682 -4.876 1.00 0.00 C ATOM 425 CZ TYR A 31 4.633 7.185 -6.146 1.00 0.00 C ATOM 426 OH TYR A 31 5.439 6.512 -7.036 1.00 0.00 O ATOM 0 H TYR A 31 4.400 10.320 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 31 2.170 11.204 -4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.285 8.885 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.077 9.098 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.736 9.952 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.487 6.964 -2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.170 8.750 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.926 5.763 -4.579 1.00 0.00 H new ATOM 0 HH TYR A 31 6.205 6.129 -6.559 1.00 0.00 H new ATOM 436 N GLY A 32 1.365 10.927 -1.139 1.00 0.00 N ATOM 437 CA GLY A 32 0.493 11.479 -0.119 1.00 0.00 C ATOM 438 C GLY A 32 -0.629 10.533 0.259 1.00 0.00 C ATOM 439 O GLY A 32 -1.323 10.746 1.254 1.00 0.00 O ATOM 0 H GLY A 32 1.918 10.123 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.081 11.714 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.068 12.417 -0.477 1.00 0.00 H new ATOM 443 N PHE A 33 -0.811 9.485 -0.538 1.00 0.00 N ATOM 444 CA PHE A 33 -1.859 8.504 -0.283 1.00 0.00 C ATOM 445 C PHE A 33 -1.280 7.240 0.347 1.00 0.00 C ATOM 446 O PHE A 33 -0.247 6.733 -0.090 1.00 0.00 O ATOM 447 CB PHE A 33 -2.585 8.152 -1.583 1.00 0.00 C ATOM 448 CG PHE A 33 -1.976 6.991 -2.315 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.654 7.032 -2.729 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.724 5.858 -2.589 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.091 5.965 -3.403 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.166 4.787 -3.263 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.848 4.841 -3.669 1.00 0.00 C ATOM 0 H PHE A 33 -0.246 9.294 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.571 8.944 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.626 7.923 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.585 9.024 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.057 7.908 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.755 5.810 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.940 6.010 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.761 3.910 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.409 4.005 -4.194 1.00 0.00 H new ATOM 463 N SER A 34 -1.954 6.737 1.377 1.00 0.00 N ATOM 464 CA SER A 34 -1.505 5.536 2.070 1.00 0.00 C ATOM 465 C SER A 34 -2.408 4.351 1.744 1.00 0.00 C ATOM 466 O SER A 34 -3.509 4.520 1.218 1.00 0.00 O ATOM 467 CB SER A 34 -1.481 5.773 3.582 1.00 0.00 C ATOM 468 OG SER A 34 -0.685 4.801 4.238 1.00 0.00 O ATOM 0 H SER A 34 -2.813 7.143 1.749 1.00 0.00 H new ATOM 0 HA SER A 34 -0.496 5.306 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.090 6.769 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.497 5.740 3.975 1.00 0.00 H new ATOM 0 HG SER A 34 -0.684 4.975 5.202 1.00 0.00 H new ATOM 474 N LEU A 35 -1.936 3.150 2.060 1.00 0.00 N ATOM 475 CA LEU A 35 -2.700 1.935 1.802 1.00 0.00 C ATOM 476 C LEU A 35 -3.002 1.195 3.101 1.00 0.00 C ATOM 477 O LEU A 35 -2.104 0.933 3.901 1.00 0.00 O ATOM 478 CB LEU A 35 -1.931 1.019 0.847 1.00 0.00 C ATOM 479 CG LEU A 35 -2.012 1.378 -0.637 1.00 0.00 C ATOM 480 CD1 LEU A 35 -0.932 0.650 -1.422 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.390 1.047 -1.191 1.00 0.00 C ATOM 0 H LEU A 35 -1.027 2.992 2.496 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.645 2.221 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.882 1.017 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.300 0.002 0.975 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.848 2.451 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.005 0.918 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.049 0.936 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.065 -0.426 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.430 1.309 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.583 -0.019 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.146 1.614 -0.648 1.00 0.00 H new ATOM 493 N SER A 36 -4.272 0.858 3.303 1.00 0.00 N ATOM 494 CA SER A 36 -4.693 0.150 4.505 1.00 0.00 C ATOM 495 C SER A 36 -4.948 -1.325 4.206 1.00 0.00 C ATOM 496 O SER A 36 -5.667 -1.663 3.266 1.00 0.00 O ATOM 497 CB SER A 36 -5.957 0.790 5.084 1.00 0.00 C ATOM 498 OG SER A 36 -7.052 0.650 4.196 1.00 0.00 O ATOM 0 H SER A 36 -5.027 1.064 2.649 1.00 0.00 H new ATOM 0 HA SER A 36 -3.890 0.221 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.198 0.325 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.776 1.847 5.280 1.00 0.00 H new ATOM 0 HG SER A 36 -6.824 1.048 3.330 1.00 0.00 H new ATOM 504 N SER A 37 -4.354 -2.197 5.013 1.00 0.00 N ATOM 505 CA SER A 37 -4.512 -3.636 4.834 1.00 0.00 C ATOM 506 C SER A 37 -5.660 -4.166 5.688 1.00 0.00 C ATOM 507 O SER A 37 -5.762 -3.855 6.875 1.00 0.00 O ATOM 508 CB SER A 37 -3.215 -4.362 5.194 1.00 0.00 C ATOM 509 OG SER A 37 -2.084 -3.560 4.903 1.00 0.00 O ATOM 0 H SER A 37 -3.758 -1.933 5.798 1.00 0.00 H new ATOM 0 HA SER A 37 -4.745 -3.824 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.220 -4.618 6.253 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.153 -5.299 4.640 1.00 0.00 H new ATOM 0 HG SER A 37 -1.268 -4.046 5.144 1.00 0.00 H new ATOM 515 N VAL A 38 -6.522 -4.971 5.075 1.00 0.00 N ATOM 516 CA VAL A 38 -7.662 -5.547 5.778 1.00 0.00 C ATOM 517 C VAL A 38 -7.815 -7.029 5.455 1.00 0.00 C ATOM 518 O VAL A 38 -7.729 -7.434 4.296 1.00 0.00 O ATOM 519 CB VAL A 38 -8.970 -4.817 5.419 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.099 -5.260 6.338 1.00 0.00 C ATOM 521 CG2 VAL A 38 -8.775 -3.310 5.490 1.00 0.00 C ATOM 0 H VAL A 38 -6.452 -5.239 4.093 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.469 -5.428 6.844 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.242 -5.078 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.015 -4.734 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.254 -6.334 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.838 -5.030 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.709 -2.810 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.478 -3.029 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.998 -3.010 4.787 1.00 0.00 H new ATOM 531 N GLU A 39 -8.044 -7.834 6.488 1.00 0.00 N ATOM 532 CA GLU A 39 -8.209 -9.272 6.314 1.00 0.00 C ATOM 533 C GLU A 39 -9.621 -9.708 6.695 1.00 0.00 C ATOM 534 O GLU A 39 -10.096 -9.416 7.792 1.00 0.00 O ATOM 535 CB GLU A 39 -7.183 -10.032 7.157 1.00 0.00 C ATOM 536 CG GLU A 39 -6.775 -11.368 6.561 1.00 0.00 C ATOM 537 CD GLU A 39 -6.386 -12.384 7.618 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.155 -12.559 8.585 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.311 -13.004 7.476 1.00 0.00 O ATOM 0 H GLU A 39 -8.119 -7.515 7.454 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.047 -9.505 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.295 -9.412 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.595 -10.198 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.599 -11.764 5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.936 -11.217 5.881 1.00 0.00 H new ATOM 546 N GLU A 40 -10.285 -10.408 5.780 1.00 0.00 N ATOM 547 CA GLU A 40 -11.643 -10.883 6.021 1.00 0.00 C ATOM 548 C GLU A 40 -11.799 -12.333 5.572 1.00 0.00 C ATOM 549 O GLU A 40 -11.744 -12.635 4.380 1.00 0.00 O ATOM 550 CB GLU A 40 -12.653 -9.999 5.287 1.00 0.00 C ATOM 551 CG GLU A 40 -12.759 -8.594 5.856 1.00 0.00 C ATOM 552 CD GLU A 40 -13.630 -8.531 7.095 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.846 -8.794 6.979 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.098 -8.217 8.180 1.00 0.00 O ATOM 0 H GLU A 40 -9.906 -10.658 4.867 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.835 -10.830 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.371 -9.936 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.634 -10.473 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.761 -8.228 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.167 -7.928 5.096 1.00 0.00 H new ATOM 561 N ASP A 41 -11.994 -13.226 6.536 1.00 0.00 N ATOM 562 CA ASP A 41 -12.159 -14.645 6.241 1.00 0.00 C ATOM 563 C ASP A 41 -10.919 -15.205 5.552 1.00 0.00 C ATOM 564 O ASP A 41 -11.019 -16.031 4.646 1.00 0.00 O ATOM 565 CB ASP A 41 -13.390 -14.865 5.360 1.00 0.00 C ATOM 566 CG ASP A 41 -14.687 -14.611 6.104 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.118 -15.502 6.865 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.271 -13.521 5.923 1.00 0.00 O ATOM 0 H ASP A 41 -12.042 -12.993 7.528 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.298 -15.173 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.336 -14.205 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.385 -15.888 4.983 1.00 0.00 H new ATOM 573 N GLY A 42 -9.748 -14.748 5.989 1.00 0.00 N ATOM 574 CA GLY A 42 -8.505 -15.214 5.402 1.00 0.00 C ATOM 575 C GLY A 42 -8.160 -14.483 4.120 1.00 0.00 C ATOM 576 O GLY A 42 -7.064 -14.643 3.582 1.00 0.00 O ATOM 0 H GLY A 42 -9.639 -14.064 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.696 -15.083 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.581 -16.282 5.199 1.00 0.00 H new ATOM 580 N ILE A 43 -9.097 -13.680 3.627 1.00 0.00 N ATOM 581 CA ILE A 43 -8.887 -12.923 2.400 1.00 0.00 C ATOM 582 C ILE A 43 -8.310 -11.543 2.697 1.00 0.00 C ATOM 583 O ILE A 43 -9.011 -10.660 3.191 1.00 0.00 O ATOM 584 CB ILE A 43 -10.197 -12.760 1.607 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.799 -14.130 1.287 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.948 -11.973 0.329 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.287 -14.087 1.016 1.00 0.00 C ATOM 0 H ILE A 43 -10.010 -13.537 4.059 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.176 -13.489 1.798 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.908 -12.206 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.291 -14.547 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.609 -14.805 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.883 -11.866 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.559 -10.986 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.223 -12.502 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.646 -15.092 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.806 -13.700 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.483 -13.438 0.163 1.00 0.00 H new ATOM 599 N ARG A 44 -7.029 -11.365 2.391 1.00 0.00 N ATOM 600 CA ARG A 44 -6.358 -10.092 2.625 1.00 0.00 C ATOM 601 C ARG A 44 -6.449 -9.195 1.394 1.00 0.00 C ATOM 602 O ARG A 44 -6.370 -9.670 0.261 1.00 0.00 O ATOM 603 CB ARG A 44 -4.891 -10.324 2.993 1.00 0.00 C ATOM 604 CG ARG A 44 -4.317 -9.257 3.911 1.00 0.00 C ATOM 605 CD ARG A 44 -2.817 -9.102 3.715 1.00 0.00 C ATOM 606 NE ARG A 44 -2.163 -8.559 4.902 1.00 0.00 N ATOM 607 CZ ARG A 44 -0.845 -8.526 5.065 1.00 0.00 C ATOM 608 NH1 ARG A 44 -0.045 -9.002 4.122 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.325 -8.015 6.174 1.00 0.00 N ATOM 0 H ARG A 44 -6.435 -12.086 1.981 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.859 -9.593 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.796 -11.296 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.298 -10.363 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.811 -8.305 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.524 -9.518 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.381 -10.071 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.628 -8.446 2.865 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.750 -8.184 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.441 -9.395 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.967 -8.975 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.937 -7.647 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.687 -7.990 6.298 1.00 0.00 H new ATOM 623 N ARG A 45 -6.616 -7.897 1.625 1.00 0.00 N ATOM 624 CA ARG A 45 -6.719 -6.934 0.535 1.00 0.00 C ATOM 625 C ARG A 45 -6.293 -5.543 0.995 1.00 0.00 C ATOM 626 O ARG A 45 -6.208 -5.274 2.194 1.00 0.00 O ATOM 627 CB ARG A 45 -8.152 -6.889 0.000 1.00 0.00 C ATOM 628 CG ARG A 45 -8.572 -8.158 -0.724 1.00 0.00 C ATOM 629 CD ARG A 45 -9.963 -8.024 -1.322 1.00 0.00 C ATOM 630 NE ARG A 45 -10.359 -9.219 -2.062 1.00 0.00 N ATOM 631 CZ ARG A 45 -9.901 -9.520 -3.272 1.00 0.00 C ATOM 632 NH1 ARG A 45 -9.036 -8.716 -3.876 1.00 0.00 N ATOM 633 NH2 ARG A 45 -10.308 -10.626 -3.881 1.00 0.00 N ATOM 0 H ARG A 45 -6.683 -7.488 2.557 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.049 -7.254 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.835 -6.711 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.250 -6.043 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.855 -8.382 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.553 -8.998 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.683 -7.836 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.990 -7.161 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.024 -9.858 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.721 -7.864 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.686 -8.949 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.974 -11.247 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.955 -10.856 -4.810 1.00 0.00 H new ATOM 647 N LEU A 46 -6.025 -4.664 0.036 1.00 0.00 N ATOM 648 CA LEU A 46 -5.607 -3.301 0.343 1.00 0.00 C ATOM 649 C LEU A 46 -6.676 -2.296 -0.077 1.00 0.00 C ATOM 650 O LEU A 46 -7.479 -2.565 -0.970 1.00 0.00 O ATOM 651 CB LEU A 46 -4.287 -2.981 -0.360 1.00 0.00 C ATOM 652 CG LEU A 46 -3.014 -3.366 0.395 1.00 0.00 C ATOM 653 CD1 LEU A 46 -2.851 -2.507 1.640 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.039 -4.842 0.763 1.00 0.00 C ATOM 0 H LEU A 46 -6.090 -4.871 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.466 -3.225 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.280 -3.488 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.256 -1.910 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.159 -3.189 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.940 -2.795 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.787 -1.458 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.709 -2.652 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.126 -5.099 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.902 -5.044 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.108 -5.442 -0.144 1.00 0.00 H new ATOM 666 N TYR A 47 -6.678 -1.137 0.573 1.00 0.00 N ATOM 667 CA TYR A 47 -7.648 -0.092 0.267 1.00 0.00 C ATOM 668 C TYR A 47 -7.055 1.291 0.517 1.00 0.00 C ATOM 669 O TYR A 47 -6.211 1.468 1.395 1.00 0.00 O ATOM 670 CB TYR A 47 -8.911 -0.277 1.110 1.00 0.00 C ATOM 671 CG TYR A 47 -9.537 -1.647 0.970 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.460 -1.911 -0.034 1.00 0.00 C ATOM 673 CD2 TYR A 47 -9.204 -2.676 1.842 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.035 -3.161 -0.165 1.00 0.00 C ATOM 675 CE2 TYR A 47 -9.773 -3.929 1.717 1.00 0.00 C ATOM 676 CZ TYR A 47 -10.688 -4.166 0.712 1.00 0.00 C ATOM 677 OH TYR A 47 -11.257 -5.413 0.584 1.00 0.00 O ATOM 0 H TYR A 47 -6.019 -0.898 1.314 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.909 -0.171 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.667 -0.104 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.643 0.479 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.733 -1.126 -0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.489 -2.494 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.752 -3.349 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.503 -4.719 2.402 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.904 -6.006 1.280 1.00 0.00 H new ATOM 687 N VAL A 48 -7.504 2.270 -0.262 1.00 0.00 N ATOM 688 CA VAL A 48 -7.021 3.639 -0.126 1.00 0.00 C ATOM 689 C VAL A 48 -7.655 4.328 1.077 1.00 0.00 C ATOM 690 O VAL A 48 -8.812 4.745 1.028 1.00 0.00 O ATOM 691 CB VAL A 48 -7.314 4.466 -1.392 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.605 5.810 -1.327 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.902 3.697 -2.638 1.00 0.00 C ATOM 0 H VAL A 48 -8.202 2.140 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.942 3.582 0.019 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.387 4.650 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.823 6.381 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.953 6.363 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.529 5.651 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.116 4.296 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.834 3.481 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.460 2.762 -2.689 1.00 0.00 H new ATOM 703 N ASN A 49 -6.889 4.446 2.157 1.00 0.00 N ATOM 704 CA ASN A 49 -7.376 5.086 3.373 1.00 0.00 C ATOM 705 C ASN A 49 -7.520 6.592 3.176 1.00 0.00 C ATOM 706 O ASN A 49 -8.556 7.174 3.497 1.00 0.00 O ATOM 707 CB ASN A 49 -6.427 4.801 4.539 1.00 0.00 C ATOM 708 CG ASN A 49 -6.507 5.861 5.621 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.506 5.962 6.333 1.00 0.00 O ATOM 710 ND2 ASN A 49 -5.451 6.656 5.750 1.00 0.00 N ATOM 0 H ASN A 49 -5.929 4.107 2.214 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.358 4.673 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.666 3.828 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.404 4.743 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.447 7.387 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.644 6.536 5.137 1.00 0.00 H new ATOM 717 N SER A 50 -6.474 7.216 2.645 1.00 0.00 N ATOM 718 CA SER A 50 -6.482 8.655 2.407 1.00 0.00 C ATOM 719 C SER A 50 -5.788 8.992 1.091 1.00 0.00 C ATOM 720 O SER A 50 -4.901 8.267 0.640 1.00 0.00 O ATOM 721 CB SER A 50 -5.796 9.388 3.562 1.00 0.00 C ATOM 722 OG SER A 50 -6.337 10.686 3.735 1.00 0.00 O ATOM 0 H SER A 50 -5.610 6.748 2.371 1.00 0.00 H new ATOM 0 HA SER A 50 -7.520 8.982 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.915 8.815 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.726 9.460 3.367 1.00 0.00 H new ATOM 0 HG SER A 50 -5.883 11.133 4.480 1.00 0.00 H new ATOM 728 N VAL A 51 -6.198 10.099 0.480 1.00 0.00 N ATOM 729 CA VAL A 51 -5.615 10.534 -0.784 1.00 0.00 C ATOM 730 C VAL A 51 -5.152 11.985 -0.705 1.00 0.00 C ATOM 731 O VAL A 51 -5.675 12.773 0.084 1.00 0.00 O ATOM 732 CB VAL A 51 -6.619 10.390 -1.944 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.065 11.024 -3.211 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.958 8.925 -2.175 1.00 0.00 C ATOM 0 H VAL A 51 -6.931 10.711 0.839 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.756 9.891 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.536 10.914 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.788 10.913 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.877 12.083 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.133 10.531 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.668 8.841 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.050 8.376 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.400 8.507 -1.270 1.00 0.00 H new ATOM 744 N LYS A 52 -4.168 12.331 -1.527 1.00 0.00 N ATOM 745 CA LYS A 52 -3.634 13.688 -1.553 1.00 0.00 C ATOM 746 C LYS A 52 -4.539 14.614 -2.360 1.00 0.00 C ATOM 747 O LYS A 52 -5.169 14.191 -3.329 1.00 0.00 O ATOM 748 CB LYS A 52 -2.224 13.692 -2.147 1.00 0.00 C ATOM 749 CG LYS A 52 -1.689 15.084 -2.436 1.00 0.00 C ATOM 750 CD LYS A 52 -0.336 15.029 -3.126 1.00 0.00 C ATOM 751 CE LYS A 52 0.803 15.022 -2.118 1.00 0.00 C ATOM 752 NZ LYS A 52 1.145 16.396 -1.657 1.00 0.00 N ATOM 0 H LYS A 52 -3.723 11.690 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.591 14.054 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.547 13.188 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.227 13.114 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.397 15.624 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.601 15.642 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.279 14.135 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.230 15.886 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.525 14.410 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.682 14.560 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.925 16.348 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.435 16.973 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.314 16.828 -1.205 1.00 0.00 H new ATOM 766 N GLU A 53 -4.597 15.878 -1.954 1.00 0.00 N ATOM 767 CA GLU A 53 -5.425 16.863 -2.641 1.00 0.00 C ATOM 768 C GLU A 53 -4.717 17.398 -3.882 1.00 0.00 C ATOM 769 O GLU A 53 -3.547 17.779 -3.829 1.00 0.00 O ATOM 770 CB GLU A 53 -5.770 18.019 -1.699 1.00 0.00 C ATOM 771 CG GLU A 53 -7.050 17.800 -0.911 1.00 0.00 C ATOM 772 CD GLU A 53 -7.065 18.562 0.400 1.00 0.00 C ATOM 773 OE1 GLU A 53 -6.108 18.409 1.187 1.00 0.00 O ATOM 774 OE2 GLU A 53 -8.035 19.311 0.639 1.00 0.00 O ATOM 0 H GLU A 53 -4.081 16.244 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.346 16.371 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.945 18.167 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.864 18.936 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.902 18.109 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.171 16.736 -0.710 1.00 0.00 H new ATOM 781 N THR A 54 -5.435 17.424 -5.001 1.00 0.00 N ATOM 782 CA THR A 54 -4.877 17.910 -6.257 1.00 0.00 C ATOM 783 C THR A 54 -3.547 17.231 -6.567 1.00 0.00 C ATOM 784 O THR A 54 -2.642 17.845 -7.130 1.00 0.00 O ATOM 785 CB THR A 54 -4.666 19.435 -6.225 1.00 0.00 C ATOM 786 OG1 THR A 54 -3.676 19.773 -5.247 1.00 0.00 O ATOM 787 CG2 THR A 54 -5.968 20.154 -5.904 1.00 0.00 C ATOM 0 H THR A 54 -6.405 17.114 -5.063 1.00 0.00 H new ATOM 0 HA THR A 54 -5.597 17.666 -7.038 1.00 0.00 H new ATOM 0 HB THR A 54 -4.326 19.753 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.315 18.953 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.795 21.230 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.711 19.918 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.332 19.829 -4.929 1.00 0.00 H new ATOM 795 N GLY A 55 -3.436 15.959 -6.195 1.00 0.00 N ATOM 796 CA GLY A 55 -2.214 15.218 -6.443 1.00 0.00 C ATOM 797 C GLY A 55 -2.266 14.428 -7.735 1.00 0.00 C ATOM 798 O GLY A 55 -3.132 14.661 -8.580 1.00 0.00 O ATOM 0 H GLY A 55 -4.171 15.429 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.374 15.911 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.031 14.537 -5.612 1.00 0.00 H new ATOM 802 N LEU A 56 -1.337 13.491 -7.892 1.00 0.00 N ATOM 803 CA LEU A 56 -1.280 12.664 -9.092 1.00 0.00 C ATOM 804 C LEU A 56 -2.295 11.528 -9.020 1.00 0.00 C ATOM 805 O LEU A 56 -3.160 11.398 -9.885 1.00 0.00 O ATOM 806 CB LEU A 56 0.128 12.094 -9.276 1.00 0.00 C ATOM 807 CG LEU A 56 1.281 13.081 -9.091 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.522 12.364 -8.584 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.577 13.806 -10.396 1.00 0.00 C ATOM 0 H LEU A 56 -0.613 13.285 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.526 13.292 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.261 11.274 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.198 11.668 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 56 0.985 13.820 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.332 13.083 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.304 11.892 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.821 11.602 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.400 14.504 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.852 13.080 -11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.691 14.353 -10.717 1.00 0.00 H new ATOM 821 N ALA A 57 -2.184 10.708 -7.979 1.00 0.00 N ATOM 822 CA ALA A 57 -3.095 9.585 -7.791 1.00 0.00 C ATOM 823 C ALA A 57 -4.525 9.972 -8.152 1.00 0.00 C ATOM 824 O ALA A 57 -5.115 9.414 -9.076 1.00 0.00 O ATOM 825 CB ALA A 57 -3.027 9.085 -6.356 1.00 0.00 C ATOM 0 H ALA A 57 -1.473 10.800 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.785 8.781 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.712 8.247 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.011 8.760 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.309 9.889 -5.677 1.00 0.00 H new ATOM 831 N SER A 58 -5.077 10.931 -7.415 1.00 0.00 N ATOM 832 CA SER A 58 -6.441 11.389 -7.654 1.00 0.00 C ATOM 833 C SER A 58 -6.678 11.634 -9.141 1.00 0.00 C ATOM 834 O SER A 58 -7.630 11.114 -9.724 1.00 0.00 O ATOM 835 CB SER A 58 -6.717 12.670 -6.864 1.00 0.00 C ATOM 836 OG SER A 58 -5.770 13.677 -7.178 1.00 0.00 O ATOM 0 H SER A 58 -4.601 11.406 -6.648 1.00 0.00 H new ATOM 0 HA SER A 58 -7.125 10.609 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.722 13.029 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.685 12.456 -5.796 1.00 0.00 H new ATOM 0 HG SER A 58 -5.969 14.486 -6.661 1.00 0.00 H new ATOM 842 N LYS A 59 -5.806 12.430 -9.750 1.00 0.00 N ATOM 843 CA LYS A 59 -5.918 12.744 -11.169 1.00 0.00 C ATOM 844 C LYS A 59 -6.060 11.473 -11.999 1.00 0.00 C ATOM 845 O LYS A 59 -7.048 11.291 -12.711 1.00 0.00 O ATOM 846 CB LYS A 59 -4.693 13.535 -11.635 1.00 0.00 C ATOM 847 CG LYS A 59 -4.718 14.996 -11.219 1.00 0.00 C ATOM 848 CD LYS A 59 -3.496 15.742 -11.729 1.00 0.00 C ATOM 849 CE LYS A 59 -3.574 15.979 -13.229 1.00 0.00 C ATOM 850 NZ LYS A 59 -4.569 17.032 -13.573 1.00 0.00 N ATOM 0 H LYS A 59 -5.013 12.870 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.812 13.351 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.794 13.067 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.625 13.476 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.621 15.469 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.760 15.065 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.410 16.698 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.597 15.172 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.592 16.271 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.842 15.049 -13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.463 17.297 -14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.530 16.668 -13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.410 17.868 -12.975 1.00 0.00 H new ATOM 864 N LYS A 60 -5.068 10.594 -11.902 1.00 0.00 N ATOM 865 CA LYS A 60 -5.084 9.337 -12.641 1.00 0.00 C ATOM 866 C LYS A 60 -6.448 8.662 -12.538 1.00 0.00 C ATOM 867 O LYS A 60 -7.112 8.425 -13.546 1.00 0.00 O ATOM 868 CB LYS A 60 -3.997 8.398 -12.113 1.00 0.00 C ATOM 869 CG LYS A 60 -2.643 8.605 -12.769 1.00 0.00 C ATOM 870 CD LYS A 60 -2.183 10.049 -12.656 1.00 0.00 C ATOM 871 CE LYS A 60 -0.739 10.211 -13.106 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.637 10.426 -14.576 1.00 0.00 N ATOM 0 H LYS A 60 -4.242 10.729 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.887 9.558 -13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.896 8.542 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.313 7.366 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.907 7.950 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.700 8.322 -13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.828 10.686 -13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.283 10.384 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.288 11.055 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.170 9.323 -12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.363 10.532 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.044 9.610 -15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.158 11.287 -14.838 1.00 0.00 H new ATOM 886 N GLY A 61 -6.860 8.355 -11.311 1.00 0.00 N ATOM 887 CA GLY A 61 -8.144 7.712 -11.100 1.00 0.00 C ATOM 888 C GLY A 61 -8.230 7.019 -9.754 1.00 0.00 C ATOM 889 O GLY A 61 -8.801 5.933 -9.642 1.00 0.00 O ATOM 0 H GLY A 61 -6.328 8.540 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.936 8.457 -11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.317 6.984 -11.892 1.00 0.00 H new ATOM 893 N LEU A 62 -7.662 7.647 -8.730 1.00 0.00 N ATOM 894 CA LEU A 62 -7.676 7.083 -7.385 1.00 0.00 C ATOM 895 C LEU A 62 -8.592 7.887 -6.467 1.00 0.00 C ATOM 896 O LEU A 62 -8.962 9.020 -6.778 1.00 0.00 O ATOM 897 CB LEU A 62 -6.259 7.052 -6.809 1.00 0.00 C ATOM 898 CG LEU A 62 -5.453 5.781 -7.080 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.989 5.992 -6.726 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.028 4.608 -6.300 1.00 0.00 C ATOM 0 H LEU A 62 -7.186 8.546 -8.806 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.059 6.064 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.706 7.901 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.323 7.195 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.519 5.552 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.431 5.077 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.582 6.804 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.903 6.246 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.442 3.712 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.993 4.828 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.062 4.442 -6.602 1.00 0.00 H new ATOM 912 N LYS A 63 -8.953 7.295 -5.334 1.00 0.00 N ATOM 913 CA LYS A 63 -9.822 7.956 -4.368 1.00 0.00 C ATOM 914 C LYS A 63 -9.618 7.382 -2.970 1.00 0.00 C ATOM 915 O LYS A 63 -8.914 6.388 -2.793 1.00 0.00 O ATOM 916 CB LYS A 63 -11.288 7.806 -4.784 1.00 0.00 C ATOM 917 CG LYS A 63 -12.240 8.671 -3.977 1.00 0.00 C ATOM 918 CD LYS A 63 -13.582 8.823 -4.674 1.00 0.00 C ATOM 919 CE LYS A 63 -13.529 9.887 -5.760 1.00 0.00 C ATOM 920 NZ LYS A 63 -14.878 10.175 -6.320 1.00 0.00 N ATOM 0 H LYS A 63 -8.657 6.358 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.562 9.014 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.385 8.060 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.582 6.762 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.389 8.229 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.796 9.654 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.876 7.869 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.346 9.086 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.103 10.803 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.867 9.557 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.799 10.905 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.275 9.307 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.503 10.515 -5.562 1.00 0.00 H new ATOM 934 N ALA A 64 -10.241 8.012 -1.979 1.00 0.00 N ATOM 935 CA ALA A 64 -10.130 7.561 -0.598 1.00 0.00 C ATOM 936 C ALA A 64 -11.121 6.440 -0.305 1.00 0.00 C ATOM 937 O ALA A 64 -11.467 6.190 0.849 1.00 0.00 O ATOM 938 CB ALA A 64 -10.350 8.726 0.357 1.00 0.00 C ATOM 0 H ALA A 64 -10.828 8.836 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.124 7.169 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.264 8.375 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.599 9.495 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.344 9.144 0.198 1.00 0.00 H new ATOM 944 N GLY A 65 -11.575 5.768 -1.358 1.00 0.00 N ATOM 945 CA GLY A 65 -12.523 4.681 -1.193 1.00 0.00 C ATOM 946 C GLY A 65 -12.440 3.664 -2.313 1.00 0.00 C ATOM 947 O GLY A 65 -13.462 3.167 -2.787 1.00 0.00 O ATOM 0 H GLY A 65 -11.303 5.957 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.339 4.184 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.533 5.088 -1.150 1.00 0.00 H new ATOM 951 N ASP A 66 -11.220 3.353 -2.739 1.00 0.00 N ATOM 952 CA ASP A 66 -11.007 2.388 -3.811 1.00 0.00 C ATOM 953 C ASP A 66 -10.254 1.164 -3.300 1.00 0.00 C ATOM 954 O ASP A 66 -9.596 1.219 -2.261 1.00 0.00 O ATOM 955 CB ASP A 66 -10.234 3.035 -4.962 1.00 0.00 C ATOM 956 CG ASP A 66 -10.583 2.429 -6.307 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.125 1.304 -6.327 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.315 3.079 -7.339 1.00 0.00 O ATOM 0 H ASP A 66 -10.364 3.756 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.982 2.065 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.446 4.104 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.164 2.926 -4.784 1.00 0.00 H new ATOM 963 N GLU A 67 -10.355 0.062 -4.036 1.00 0.00 N ATOM 964 CA GLU A 67 -9.685 -1.175 -3.655 1.00 0.00 C ATOM 965 C GLU A 67 -8.602 -1.541 -4.666 1.00 0.00 C ATOM 966 O GLU A 67 -8.874 -1.679 -5.859 1.00 0.00 O ATOM 967 CB GLU A 67 -10.698 -2.316 -3.540 1.00 0.00 C ATOM 968 CG GLU A 67 -10.057 -3.684 -3.379 1.00 0.00 C ATOM 969 CD GLU A 67 -9.438 -4.195 -4.666 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.962 -3.859 -5.749 1.00 0.00 O ATOM 971 OE2 GLU A 67 -8.431 -4.929 -4.590 1.00 0.00 O ATOM 0 H GLU A 67 -10.894 0.001 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.214 -1.019 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.350 -2.127 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.329 -2.322 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.289 -3.633 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.808 -4.395 -3.035 1.00 0.00 H new ATOM 978 N ILE A 68 -7.375 -1.695 -4.180 1.00 0.00 N ATOM 979 CA ILE A 68 -6.252 -2.045 -5.041 1.00 0.00 C ATOM 980 C ILE A 68 -6.163 -3.554 -5.243 1.00 0.00 C ATOM 981 O ILE A 68 -5.774 -4.291 -4.336 1.00 0.00 O ATOM 982 CB ILE A 68 -4.918 -1.537 -4.461 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.851 -0.011 -4.540 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.746 -2.164 -5.200 1.00 0.00 C ATOM 985 CD1 ILE A 68 -6.074 0.678 -3.979 1.00 0.00 C ATOM 0 H ILE A 68 -7.133 -1.583 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.429 -1.562 -6.002 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.859 -1.830 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.970 0.334 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.723 0.285 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.811 -1.795 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.788 -3.248 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.798 -1.899 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.956 1.758 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.957 0.362 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.192 0.412 -2.929 1.00 0.00 H new ATOM 997 N LEU A 69 -6.525 -4.007 -6.438 1.00 0.00 N ATOM 998 CA LEU A 69 -6.485 -5.429 -6.762 1.00 0.00 C ATOM 999 C LEU A 69 -5.046 -5.924 -6.862 1.00 0.00 C ATOM 1000 O LEU A 69 -4.650 -6.855 -6.161 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.221 -5.694 -8.077 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.661 -5.186 -8.154 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -9.062 -4.936 -9.600 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.612 -6.177 -7.499 1.00 0.00 C ATOM 0 H LEU A 69 -6.850 -3.410 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.982 -5.974 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.652 -5.238 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.226 -6.769 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.722 -4.242 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.090 -4.575 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.400 -4.189 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.984 -5.865 -10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.632 -5.799 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.548 -7.137 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.338 -6.306 -6.452 1.00 0.00 H new ATOM 1016 N GLU A 70 -4.269 -5.295 -7.737 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.873 -5.672 -7.927 1.00 0.00 C ATOM 1018 C GLU A 70 -1.974 -4.439 -7.945 1.00 0.00 C ATOM 1019 O GLU A 70 -2.410 -3.345 -8.305 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.706 -6.457 -9.230 1.00 0.00 C ATOM 1021 CG GLU A 70 -3.001 -7.941 -9.088 1.00 0.00 C ATOM 1022 CD GLU A 70 -3.178 -8.630 -10.427 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -2.185 -8.732 -11.178 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -4.309 -9.068 -10.724 1.00 0.00 O ATOM 0 H GLU A 70 -4.582 -4.523 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.577 -6.304 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.367 -6.034 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.686 -6.331 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.188 -8.419 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.905 -8.073 -8.493 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.718 -4.624 -7.553 1.00 0.00 N ATOM 1032 CA ILE A 71 0.242 -3.528 -7.524 1.00 0.00 C ATOM 1033 C ILE A 71 1.473 -3.853 -8.363 1.00 0.00 C ATOM 1034 O ILE A 71 2.344 -4.611 -7.938 1.00 0.00 O ATOM 1035 CB ILE A 71 0.686 -3.206 -6.085 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.506 -2.723 -5.257 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.791 -2.160 -6.093 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.181 -2.516 -3.794 1.00 0.00 C ATOM 0 H ILE A 71 -0.342 -5.523 -7.251 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.261 -2.657 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 71 1.077 -4.115 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.873 -1.786 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.315 -3.448 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.094 -1.943 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.647 -2.539 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.425 -1.248 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.072 -2.174 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.157 -3.457 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.606 -1.768 -3.698 1.00 0.00 H new ATOM 1050 N ASN A 72 1.539 -3.273 -9.557 1.00 0.00 N ATOM 1051 CA ASN A 72 2.665 -3.500 -10.456 1.00 0.00 C ATOM 1052 C ASN A 72 2.792 -4.980 -10.806 1.00 0.00 C ATOM 1053 O ASN A 72 3.895 -5.522 -10.862 1.00 0.00 O ATOM 1054 CB ASN A 72 3.963 -3.002 -9.818 1.00 0.00 C ATOM 1055 CG ASN A 72 4.113 -1.496 -9.912 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.617 -0.869 -10.849 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.800 -0.908 -8.940 1.00 0.00 N ATOM 0 H ASN A 72 0.826 -2.643 -9.924 1.00 0.00 H new ATOM 0 HA ASN A 72 2.482 -2.942 -11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.988 -3.302 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.812 -3.480 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.934 0.103 -8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.193 -1.467 -8.183 1.00 0.00 H new ATOM 1064 N ASN A 73 1.655 -5.627 -11.039 1.00 0.00 N ATOM 1065 CA ASN A 73 1.639 -7.044 -11.383 1.00 0.00 C ATOM 1066 C ASN A 73 1.968 -7.903 -10.166 1.00 0.00 C ATOM 1067 O ASN A 73 2.547 -8.982 -10.293 1.00 0.00 O ATOM 1068 CB ASN A 73 2.637 -7.329 -12.507 1.00 0.00 C ATOM 1069 CG ASN A 73 2.617 -6.260 -13.583 1.00 0.00 C ATOM 1070 OD1 ASN A 73 1.699 -6.205 -14.402 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.632 -5.405 -13.586 1.00 0.00 N ATOM 0 H ASN A 73 0.733 -5.193 -10.996 1.00 0.00 H new ATOM 0 HA ASN A 73 0.635 -7.298 -11.724 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.641 -7.401 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.409 -8.296 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.673 -4.665 -14.286 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.371 -5.488 -12.888 1.00 0.00 H new ATOM 1078 N ARG A 74 1.593 -7.417 -8.987 1.00 0.00 N ATOM 1079 CA ARG A 74 1.849 -8.140 -7.747 1.00 0.00 C ATOM 1080 C ARG A 74 0.565 -8.306 -6.940 1.00 0.00 C ATOM 1081 O ARG A 74 -0.253 -7.389 -6.860 1.00 0.00 O ATOM 1082 CB ARG A 74 2.898 -7.404 -6.910 1.00 0.00 C ATOM 1083 CG ARG A 74 4.241 -7.260 -7.607 1.00 0.00 C ATOM 1084 CD ARG A 74 5.133 -8.465 -7.352 1.00 0.00 C ATOM 1085 NE ARG A 74 4.937 -9.513 -8.350 1.00 0.00 N ATOM 1086 CZ ARG A 74 5.636 -10.642 -8.378 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.572 -10.868 -7.466 1.00 0.00 N ATOM 1088 NH2 ARG A 74 5.400 -11.548 -9.318 1.00 0.00 N ATOM 0 H ARG A 74 1.111 -6.526 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 74 2.227 -9.129 -8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.520 -6.413 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.041 -7.938 -5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.085 -7.142 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.739 -6.356 -7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.177 -8.151 -7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.925 -8.866 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 74 4.224 -9.370 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.756 -10.174 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.108 -11.736 -7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.681 -11.378 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.938 -12.414 -9.338 1.00 0.00 H new ATOM 1102 N ALA A 75 0.394 -9.481 -6.344 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.789 -9.767 -5.543 1.00 0.00 C ATOM 1104 C ALA A 75 -0.767 -8.986 -4.233 1.00 0.00 C ATOM 1105 O ALA A 75 0.078 -9.225 -3.371 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.892 -11.260 -5.267 1.00 0.00 C ATOM 0 H ALA A 75 1.061 -10.251 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.665 -9.452 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.780 -11.459 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.963 -11.800 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.007 -11.592 -4.724 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.701 -8.052 -4.091 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.789 -7.236 -2.886 1.00 0.00 C ATOM 1114 C ALA A 76 -1.555 -8.078 -1.636 1.00 0.00 C ATOM 1115 O ALA A 76 -0.793 -7.691 -0.749 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.143 -6.546 -2.814 1.00 0.00 C ATOM 0 H ALA A 76 -2.408 -7.841 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.009 -6.476 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.195 -5.940 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.272 -5.906 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.933 -7.297 -2.794 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.215 -9.229 -1.571 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.078 -10.125 -0.429 1.00 0.00 C ATOM 1124 C ASP A 77 -0.655 -10.667 -0.331 1.00 0.00 C ATOM 1125 O ASP A 77 -0.143 -10.901 0.764 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.071 -11.283 -0.540 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.912 -12.060 -1.833 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -1.933 -12.827 -1.947 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -3.766 -11.901 -2.730 1.00 0.00 O ATOM 0 H ASP A 77 -2.850 -9.563 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.294 -9.556 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.934 -11.958 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.087 -10.894 -0.476 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.022 -10.865 -1.482 1.00 0.00 N ATOM 1135 CA ALA A 78 1.342 -11.378 -1.526 1.00 0.00 C ATOM 1136 C ALA A 78 2.329 -10.362 -0.962 1.00 0.00 C ATOM 1137 O ALA A 78 3.414 -10.724 -0.505 1.00 0.00 O ATOM 1138 CB ALA A 78 1.721 -11.749 -2.952 1.00 0.00 C ATOM 0 H ALA A 78 -0.432 -10.678 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 78 1.387 -12.273 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.742 -12.130 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.041 -12.516 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.652 -10.866 -3.588 1.00 0.00 H new ATOM 1144 N LEU A 79 1.947 -9.091 -0.997 1.00 0.00 N ATOM 1145 CA LEU A 79 2.799 -8.021 -0.489 1.00 0.00 C ATOM 1146 C LEU A 79 2.561 -7.796 1.001 1.00 0.00 C ATOM 1147 O LEU A 79 1.430 -7.884 1.479 1.00 0.00 O ATOM 1148 CB LEU A 79 2.540 -6.726 -1.260 1.00 0.00 C ATOM 1149 CG LEU A 79 2.674 -6.812 -2.781 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.887 -5.696 -3.451 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.138 -6.756 -3.192 1.00 0.00 C ATOM 0 H LEU A 79 1.052 -8.775 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 79 3.838 -8.319 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.534 -6.381 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.232 -5.966 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 79 2.262 -7.766 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.995 -5.774 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.834 -5.782 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.268 -4.731 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.214 -6.819 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.576 -5.818 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.674 -7.591 -2.742 1.00 0.00 H new ATOM 1163 N ASN A 80 3.633 -7.502 1.729 1.00 0.00 N ATOM 1164 CA ASN A 80 3.540 -7.262 3.164 1.00 0.00 C ATOM 1165 C ASN A 80 3.847 -5.804 3.493 1.00 0.00 C ATOM 1166 O ASN A 80 4.495 -5.105 2.714 1.00 0.00 O ATOM 1167 CB ASN A 80 4.503 -8.180 3.919 1.00 0.00 C ATOM 1168 CG ASN A 80 4.393 -8.021 5.424 1.00 0.00 C ATOM 1169 OD1 ASN A 80 3.457 -8.524 6.045 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.352 -7.319 6.016 1.00 0.00 N ATOM 0 H ASN A 80 4.576 -7.424 1.349 1.00 0.00 H new ATOM 0 HA ASN A 80 2.519 -7.480 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.299 -9.216 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.525 -7.965 3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.332 -7.178 7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.109 -6.920 5.461 1.00 0.00 H new ATOM 1177 N SER A 81 3.378 -5.352 4.651 1.00 0.00 N ATOM 1178 CA SER A 81 3.599 -3.977 5.082 1.00 0.00 C ATOM 1179 C SER A 81 4.965 -3.477 4.621 1.00 0.00 C ATOM 1180 O SER A 81 5.083 -2.383 4.069 1.00 0.00 O ATOM 1181 CB SER A 81 3.493 -3.874 6.605 1.00 0.00 C ATOM 1182 OG SER A 81 3.610 -2.528 7.034 1.00 0.00 O ATOM 0 H SER A 81 2.842 -5.919 5.308 1.00 0.00 H new ATOM 0 HA SER A 81 2.830 -3.352 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.538 -4.282 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.274 -4.476 7.069 1.00 0.00 H new ATOM 0 HG SER A 81 3.538 -2.488 8.011 1.00 0.00 H new ATOM 1188 N SER A 82 5.994 -4.286 4.853 1.00 0.00 N ATOM 1189 CA SER A 82 7.352 -3.925 4.465 1.00 0.00 C ATOM 1190 C SER A 82 7.415 -3.551 2.988 1.00 0.00 C ATOM 1191 O SER A 82 7.632 -2.391 2.638 1.00 0.00 O ATOM 1192 CB SER A 82 8.311 -5.082 4.751 1.00 0.00 C ATOM 1193 OG SER A 82 9.649 -4.625 4.842 1.00 0.00 O ATOM 0 H SER A 82 5.913 -5.195 5.308 1.00 0.00 H new ATOM 0 HA SER A 82 7.653 -3.058 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.027 -5.572 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.231 -5.828 3.961 1.00 0.00 H new ATOM 0 HG SER A 82 10.242 -5.383 5.027 1.00 0.00 H new ATOM 1199 N MET A 83 7.222 -4.543 2.124 1.00 0.00 N ATOM 1200 CA MET A 83 7.255 -4.318 0.683 1.00 0.00 C ATOM 1201 C MET A 83 6.457 -3.074 0.309 1.00 0.00 C ATOM 1202 O MET A 83 6.964 -2.180 -0.371 1.00 0.00 O ATOM 1203 CB MET A 83 6.700 -5.536 -0.057 1.00 0.00 C ATOM 1204 CG MET A 83 7.598 -6.760 0.028 1.00 0.00 C ATOM 1205 SD MET A 83 6.728 -8.289 -0.369 1.00 0.00 S ATOM 1206 CE MET A 83 6.800 -9.139 1.206 1.00 0.00 C ATOM 0 H MET A 83 7.041 -5.509 2.396 1.00 0.00 H new ATOM 0 HA MET A 83 8.293 -4.164 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.721 -5.785 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.551 -5.277 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.439 -6.637 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.012 -6.833 1.034 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.515 -9.959 1.144 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.114 -8.441 1.982 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.814 -9.535 1.451 1.00 0.00 H new ATOM 1216 N LEU A 84 5.206 -3.022 0.754 1.00 0.00 N ATOM 1217 CA LEU A 84 4.337 -1.886 0.465 1.00 0.00 C ATOM 1218 C LEU A 84 5.092 -0.570 0.623 1.00 0.00 C ATOM 1219 O LEU A 84 5.153 0.238 -0.305 1.00 0.00 O ATOM 1220 CB LEU A 84 3.119 -1.903 1.390 1.00 0.00 C ATOM 1221 CG LEU A 84 1.973 -2.826 0.974 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.986 -3.000 2.118 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.271 -2.282 -0.261 1.00 0.00 C ATOM 0 H LEU A 84 4.771 -3.753 1.316 1.00 0.00 H new ATOM 0 HA LEU A 84 4.002 -1.969 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.449 -2.194 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.731 -0.887 1.466 1.00 0.00 H new ATOM 0 HG LEU A 84 2.390 -3.803 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.177 -3.660 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.497 -3.436 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.575 -2.029 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.458 -2.952 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.867 -1.293 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.984 -2.211 -1.083 1.00 0.00 H new ATOM 1235 N LYS A 85 5.666 -0.360 1.802 1.00 0.00 N ATOM 1236 CA LYS A 85 6.420 0.856 2.081 1.00 0.00 C ATOM 1237 C LYS A 85 7.432 1.135 0.975 1.00 0.00 C ATOM 1238 O LYS A 85 7.427 2.210 0.373 1.00 0.00 O ATOM 1239 CB LYS A 85 7.139 0.737 3.427 1.00 0.00 C ATOM 1240 CG LYS A 85 7.623 2.068 3.977 1.00 0.00 C ATOM 1241 CD LYS A 85 8.406 1.886 5.267 1.00 0.00 C ATOM 1242 CE LYS A 85 7.482 1.645 6.451 1.00 0.00 C ATOM 1243 NZ LYS A 85 8.242 1.444 7.715 1.00 0.00 N ATOM 0 H LYS A 85 5.623 -1.017 2.581 1.00 0.00 H new ATOM 0 HA LYS A 85 5.717 1.688 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.465 0.278 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.992 0.067 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.251 2.563 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.769 2.721 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.092 1.045 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.014 2.771 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.807 2.494 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.863 0.769 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.577 1.283 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.867 0.619 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.813 2.290 7.915 1.00 0.00 H new ATOM 1257 N ASP A 86 8.296 0.162 0.710 1.00 0.00 N ATOM 1258 CA ASP A 86 9.312 0.302 -0.326 1.00 0.00 C ATOM 1259 C ASP A 86 8.687 0.755 -1.642 1.00 0.00 C ATOM 1260 O ASP A 86 9.244 1.595 -2.350 1.00 0.00 O ATOM 1261 CB ASP A 86 10.052 -1.021 -0.528 1.00 0.00 C ATOM 1262 CG ASP A 86 11.255 -0.879 -1.439 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.072 -0.923 -2.673 1.00 0.00 O ATOM 1264 OD2 ASP A 86 12.380 -0.725 -0.918 1.00 0.00 O ATOM 0 H ASP A 86 8.313 -0.733 1.199 1.00 0.00 H new ATOM 0 HA ASP A 86 10.024 1.061 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.376 -1.404 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.366 -1.757 -0.949 1.00 0.00 H new ATOM 1269 N PHE A 87 7.527 0.192 -1.965 1.00 0.00 N ATOM 1270 CA PHE A 87 6.827 0.536 -3.197 1.00 0.00 C ATOM 1271 C PHE A 87 6.426 2.008 -3.202 1.00 0.00 C ATOM 1272 O PHE A 87 6.534 2.690 -4.222 1.00 0.00 O ATOM 1273 CB PHE A 87 5.586 -0.343 -3.366 1.00 0.00 C ATOM 1274 CG PHE A 87 5.854 -1.622 -4.106 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.887 -2.459 -3.716 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.073 -1.988 -5.190 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.137 -3.637 -4.396 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.317 -3.164 -5.873 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.350 -3.990 -5.475 1.00 0.00 C ATOM 0 H PHE A 87 7.052 -0.504 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 87 7.505 0.360 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.182 -0.580 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.820 0.222 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.504 -2.189 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.263 -1.346 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.947 -4.280 -4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.701 -3.437 -6.717 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.542 -4.910 -6.007 1.00 0.00 H new ATOM 1289 N LEU A 88 5.961 2.492 -2.055 1.00 0.00 N ATOM 1290 CA LEU A 88 5.543 3.884 -1.925 1.00 0.00 C ATOM 1291 C LEU A 88 6.751 4.812 -1.855 1.00 0.00 C ATOM 1292 O LEU A 88 6.632 6.019 -2.063 1.00 0.00 O ATOM 1293 CB LEU A 88 4.675 4.062 -0.678 1.00 0.00 C ATOM 1294 CG LEU A 88 3.329 3.338 -0.688 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.734 3.296 0.711 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.368 4.011 -1.657 1.00 0.00 C ATOM 0 H LEU A 88 5.864 1.941 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 88 4.959 4.146 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.243 3.719 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.491 5.127 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 88 3.493 2.313 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.776 2.777 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.414 2.768 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.585 4.313 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.415 3.482 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.210 5.046 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.789 3.988 -2.662 1.00 0.00 H new ATOM 1308 N SER A 89 7.914 4.239 -1.561 1.00 0.00 N ATOM 1309 CA SER A 89 9.145 5.015 -1.462 1.00 0.00 C ATOM 1310 C SER A 89 9.708 5.321 -2.846 1.00 0.00 C ATOM 1311 O SER A 89 10.725 6.001 -2.978 1.00 0.00 O ATOM 1312 CB SER A 89 10.184 4.259 -0.632 1.00 0.00 C ATOM 1313 OG SER A 89 11.282 5.093 -0.307 1.00 0.00 O ATOM 0 H SER A 89 8.030 3.241 -1.387 1.00 0.00 H new ATOM 0 HA SER A 89 8.912 5.958 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.723 3.887 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.536 3.390 -1.188 1.00 0.00 H new ATOM 0 HG SER A 89 11.484 5.679 -1.066 1.00 0.00 H new ATOM 1319 N GLN A 90 9.037 4.813 -3.876 1.00 0.00 N ATOM 1320 CA GLN A 90 9.471 5.031 -5.251 1.00 0.00 C ATOM 1321 C GLN A 90 8.644 6.128 -5.915 1.00 0.00 C ATOM 1322 O GLN A 90 7.476 6.341 -5.590 1.00 0.00 O ATOM 1323 CB GLN A 90 9.359 3.735 -6.055 1.00 0.00 C ATOM 1324 CG GLN A 90 9.956 2.528 -5.349 1.00 0.00 C ATOM 1325 CD GLN A 90 11.460 2.634 -5.183 1.00 0.00 C ATOM 1326 OE1 GLN A 90 12.119 3.409 -5.877 1.00 0.00 O ATOM 1327 NE2 GLN A 90 12.010 1.855 -4.259 1.00 0.00 N ATOM 0 H GLN A 90 8.192 4.249 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 90 10.514 5.349 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.308 3.538 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.858 3.868 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.493 2.420 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.719 1.627 -5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.425 1.228 -3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.017 1.884 -4.101 1.00 0.00 H new ATOM 1336 N PRO A 91 9.263 6.841 -6.867 1.00 0.00 N ATOM 1337 CA PRO A 91 8.603 7.928 -7.597 1.00 0.00 C ATOM 1338 C PRO A 91 7.522 7.417 -8.544 1.00 0.00 C ATOM 1339 O PRO A 91 6.537 8.107 -8.806 1.00 0.00 O ATOM 1340 CB PRO A 91 9.745 8.570 -8.387 1.00 0.00 C ATOM 1341 CG PRO A 91 10.752 7.484 -8.547 1.00 0.00 C ATOM 1342 CD PRO A 91 10.654 6.642 -7.306 1.00 0.00 C ATOM 0 HA PRO A 91 8.091 8.617 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.400 8.936 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.164 9.423 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.548 6.891 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.755 7.896 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.863 5.593 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.365 6.963 -6.545 1.00 0.00 H new ATOM 1350 N SER A 92 7.712 6.205 -9.053 1.00 0.00 N ATOM 1351 CA SER A 92 6.755 5.603 -9.974 1.00 0.00 C ATOM 1352 C SER A 92 6.098 4.375 -9.350 1.00 0.00 C ATOM 1353 O SER A 92 6.720 3.655 -8.567 1.00 0.00 O ATOM 1354 CB SER A 92 7.447 5.216 -11.282 1.00 0.00 C ATOM 1355 OG SER A 92 8.271 4.077 -11.105 1.00 0.00 O ATOM 0 H SER A 92 8.521 5.620 -8.843 1.00 0.00 H new ATOM 0 HA SER A 92 5.980 6.340 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.698 5.011 -12.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.048 6.052 -11.640 1.00 0.00 H new ATOM 0 HG SER A 92 8.701 3.849 -11.956 1.00 0.00 H new ATOM 1361 N LEU A 93 4.839 4.143 -9.701 1.00 0.00 N ATOM 1362 CA LEU A 93 4.096 3.002 -9.176 1.00 0.00 C ATOM 1363 C LEU A 93 2.902 2.674 -10.067 1.00 0.00 C ATOM 1364 O LEU A 93 2.352 3.549 -10.733 1.00 0.00 O ATOM 1365 CB LEU A 93 3.620 3.290 -7.752 1.00 0.00 C ATOM 1366 CG LEU A 93 4.600 2.937 -6.632 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.911 3.002 -5.279 1.00 0.00 C ATOM 1368 CD2 LEU A 93 5.199 1.557 -6.863 1.00 0.00 C ATOM 0 H LEU A 93 4.310 4.729 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 93 4.763 2.140 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.381 4.351 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.693 2.742 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 93 5.409 3.668 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.624 2.748 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.532 4.010 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.082 2.295 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.894 1.322 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.402 0.813 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.730 1.546 -7.815 1.00 0.00 H new ATOM 1380 N GLY A 94 2.504 1.405 -10.071 1.00 0.00 N ATOM 1381 CA GLY A 94 1.376 0.983 -10.881 1.00 0.00 C ATOM 1382 C GLY A 94 0.329 0.241 -10.075 1.00 0.00 C ATOM 1383 O GLY A 94 0.620 -0.788 -9.463 1.00 0.00 O ATOM 0 H GLY A 94 2.943 0.662 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.920 1.857 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.731 0.341 -11.687 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.893 0.762 -10.073 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.987 0.142 -9.334 1.00 0.00 C ATOM 1389 C LEU A 95 -3.091 -0.318 -10.281 1.00 0.00 C ATOM 1390 O LEU A 95 -3.162 0.122 -11.429 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.556 1.124 -8.308 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.539 1.794 -7.385 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.142 3.029 -6.733 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.051 0.815 -6.327 1.00 0.00 C ATOM 0 H LEU A 95 -1.151 1.612 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.593 -0.731 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.100 1.903 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.282 0.594 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.684 2.105 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.403 3.493 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.440 3.739 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.015 2.742 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.328 1.310 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.897 0.472 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.579 -0.039 -6.812 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.952 -1.204 -9.792 1.00 0.00 N ATOM 1407 CA LEU A 96 -5.054 -1.723 -10.594 1.00 0.00 C ATOM 1408 C LEU A 96 -6.356 -1.715 -9.799 1.00 0.00 C ATOM 1409 O LEU A 96 -6.612 -2.614 -8.998 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.742 -3.143 -11.069 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.791 -3.795 -11.970 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.885 -3.061 -13.298 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.464 -5.265 -12.192 1.00 0.00 C ATOM 0 H LEU A 96 -3.908 -1.578 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.175 -1.075 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.793 -3.125 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.602 -3.775 -10.192 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.759 -3.730 -11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.637 -3.540 -13.926 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.167 -2.023 -13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.918 -3.093 -13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.221 -5.713 -12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.487 -5.353 -12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.450 -5.783 -11.233 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.177 -0.694 -10.027 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.454 -0.571 -9.335 1.00 0.00 C ATOM 1427 C VAL A 97 -9.621 -0.741 -10.300 1.00 0.00 C ATOM 1428 O VAL A 97 -9.515 -0.413 -11.482 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.581 0.792 -8.629 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.588 0.893 -7.481 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.378 1.926 -9.622 1.00 0.00 C ATOM 0 H VAL A 97 -6.980 0.060 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.486 -1.364 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.586 0.876 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.692 1.863 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.785 0.101 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.574 0.788 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.471 2.882 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.385 1.848 -10.065 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.132 1.862 -10.407 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.735 -1.257 -9.789 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.923 -1.471 -10.607 1.00 0.00 C ATOM 1443 C ARG A 98 -12.829 -0.244 -10.582 1.00 0.00 C ATOM 1444 O ARG A 98 -12.982 0.408 -9.548 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.693 -2.698 -10.113 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.527 -3.368 -11.193 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.804 -4.825 -10.858 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.957 -5.643 -12.058 1.00 0.00 N ATOM 1449 CZ ARG A 98 -14.365 -6.907 -12.039 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.660 -7.495 -10.888 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -14.480 -7.586 -13.173 1.00 0.00 N ATOM 0 H ARG A 98 -10.839 -1.534 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.601 -1.642 -11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.985 -3.423 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.347 -2.401 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.470 -2.834 -11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.006 -3.306 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.988 -5.219 -10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.710 -4.893 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.739 -5.221 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.574 -6.977 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.973 -8.466 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.255 -7.137 -14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.793 -8.557 -13.157 1.00 0.00 H new ATOM 1465 N THR A 99 -13.429 0.066 -11.727 1.00 0.00 N ATOM 1466 CA THR A 99 -14.318 1.215 -11.837 1.00 0.00 C ATOM 1467 C THR A 99 -15.579 0.862 -12.618 1.00 0.00 C ATOM 1468 O THR A 99 -15.577 -0.060 -13.436 1.00 0.00 O ATOM 1469 CB THR A 99 -13.619 2.403 -12.524 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.205 3.635 -12.089 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.724 2.292 -14.038 1.00 0.00 C ATOM 0 H THR A 99 -13.315 -0.463 -12.591 1.00 0.00 H new ATOM 0 HA THR A 99 -14.591 1.501 -10.821 1.00 0.00 H new ATOM 0 HB THR A 99 -12.565 2.385 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.754 4.385 -12.529 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.223 3.142 -14.501 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.250 1.368 -14.369 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.774 2.286 -14.330 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.654 1.599 -12.363 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.922 1.362 -13.041 1.00 0.00 C ATOM 1481 C TYR A 100 -18.040 2.225 -14.293 1.00 0.00 C ATOM 1482 O TYR A 100 -17.801 3.433 -14.271 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.091 1.650 -12.097 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.774 1.385 -10.643 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.416 0.114 -10.210 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -18.834 2.404 -9.701 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.126 -0.134 -8.882 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -18.545 2.167 -8.371 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.191 0.896 -7.967 1.00 0.00 C ATOM 1490 OH TYR A 100 -17.904 0.655 -6.643 1.00 0.00 O ATOM 0 H TYR A 100 -16.672 2.366 -11.691 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.955 0.314 -13.340 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.391 2.692 -12.211 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.944 1.039 -12.392 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -18.364 -0.694 -10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.112 3.400 -10.014 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.850 -1.128 -8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.596 2.971 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 100 -17.995 1.486 -6.132 1.00 0.00 H new