USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.789 F(o=-1.3,f=-0.79) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.886 USER MOD Single : A 31 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.5!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.21 USER MOD Single : A 55 SER OG : rot 180:sc= -0.521 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 68 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.1!) USER MOD Single : A 71 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.5!) USER MOD Single : A 74 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 77 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.8!) USER MOD Single : A 79 GLN : amide:sc=-0.00736 X(o=-0.0074,f=-0.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.085) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 96 GLN : amide:sc= -0.616 K(o=-0.62,f=-3.6!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 55:sc= 0.106 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.671 10.051 -8.819 1.00 0.00 N ATOM 165 CA GLU A 15 -6.900 8.626 -8.983 1.00 0.00 C ATOM 166 C GLU A 15 -5.698 7.832 -8.468 1.00 0.00 C ATOM 167 O GLU A 15 -4.682 8.413 -8.090 1.00 0.00 O ATOM 168 CB GLU A 15 -7.198 8.283 -10.444 1.00 0.00 C ATOM 169 CG GLU A 15 -6.761 9.417 -11.374 1.00 0.00 C ATOM 170 CD GLU A 15 -6.583 8.914 -12.807 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.615 8.554 -13.415 1.00 0.00 O ATOM 172 OE2 GLU A 15 -5.419 8.899 -13.264 1.00 0.00 O ATOM 0 HA GLU A 15 -7.774 8.348 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.681 7.363 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.265 8.098 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.504 10.214 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.825 9.845 -11.016 1.00 0.00 H new ATOM 179 N PRO A 16 -5.857 6.482 -8.470 1.00 0.00 N ATOM 180 CA PRO A 16 -4.796 5.602 -8.007 1.00 0.00 C ATOM 181 C PRO A 16 -3.674 5.506 -9.042 1.00 0.00 C ATOM 182 O PRO A 16 -3.933 5.319 -10.230 1.00 0.00 O ATOM 183 CB PRO A 16 -5.477 4.269 -7.744 1.00 0.00 C ATOM 184 CG PRO A 16 -6.792 4.315 -8.505 1.00 0.00 C ATOM 185 CD PRO A 16 -7.046 5.758 -8.910 1.00 0.00 C ATOM 0 HA PRO A 16 -4.308 5.970 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.857 3.440 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.648 4.121 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.746 3.674 -9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.606 3.944 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.188 5.848 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.946 6.150 -8.436 1.00 0.00 H new ATOM 193 N ARG A 17 -2.449 5.638 -8.554 1.00 0.00 N ATOM 194 CA ARG A 17 -1.286 5.568 -9.421 1.00 0.00 C ATOM 195 C ARG A 17 -0.500 4.282 -9.154 1.00 0.00 C ATOM 196 O ARG A 17 -0.372 3.857 -8.007 1.00 0.00 O ATOM 197 CB ARG A 17 -0.367 6.772 -9.208 1.00 0.00 C ATOM 198 CG ARG A 17 0.288 6.725 -7.827 1.00 0.00 C ATOM 199 CD ARG A 17 0.154 8.070 -7.110 1.00 0.00 C ATOM 200 NE ARG A 17 0.769 9.141 -7.925 1.00 0.00 N ATOM 201 CZ ARG A 17 0.445 10.438 -7.829 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.489 10.832 -6.952 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.054 11.341 -8.609 1.00 0.00 N ATOM 0 H ARG A 17 -2.237 5.793 -7.568 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.641 5.573 -10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.403 6.787 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.940 7.694 -9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.175 5.942 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.342 6.467 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.898 8.294 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.637 8.021 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 17 1.484 8.876 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.953 10.145 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.736 11.819 -6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.765 11.042 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.807 12.328 -8.535 1.00 0.00 H new ATOM 217 N LYS A 18 0.005 3.700 -10.231 1.00 0.00 N ATOM 218 CA LYS A 18 0.774 2.472 -10.127 1.00 0.00 C ATOM 219 C LYS A 18 2.153 2.787 -9.545 1.00 0.00 C ATOM 220 O LYS A 18 2.994 3.381 -10.218 1.00 0.00 O ATOM 221 CB LYS A 18 0.825 1.756 -11.479 1.00 0.00 C ATOM 222 CG LYS A 18 1.037 0.252 -11.295 1.00 0.00 C ATOM 223 CD LYS A 18 0.263 -0.544 -12.347 1.00 0.00 C ATOM 224 CE LYS A 18 0.418 0.084 -13.733 1.00 0.00 C ATOM 225 NZ LYS A 18 0.004 -0.871 -14.785 1.00 0.00 N ATOM 0 H LYS A 18 -0.103 4.056 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 18 0.290 1.776 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.103 1.932 -12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.632 2.169 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.099 0.020 -11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.713 -0.045 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.623 -1.573 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.792 -0.581 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.185 0.989 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.455 0.380 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.116 -0.428 -15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.597 -1.724 -14.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.992 -1.133 -14.643 1.00 0.00 H new ATOM 239 N ILE A 19 2.343 2.374 -8.301 1.00 0.00 N ATOM 240 CA ILE A 19 3.606 2.604 -7.621 1.00 0.00 C ATOM 241 C ILE A 19 4.399 1.297 -7.569 1.00 0.00 C ATOM 242 O ILE A 19 4.256 0.516 -6.629 1.00 0.00 O ATOM 243 CB ILE A 19 3.368 3.233 -6.247 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.953 4.700 -6.380 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.593 3.063 -5.345 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.674 4.982 -5.590 1.00 0.00 C ATOM 0 H ILE A 19 1.643 1.881 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 19 4.211 3.322 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 19 2.542 2.706 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.756 5.343 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.797 4.944 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.397 3.519 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.802 2.002 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.454 3.547 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.401 6.031 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.867 4.355 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.841 4.761 -4.536 1.00 0.00 H new ATOM 258 N ILE A 20 5.218 1.098 -8.591 1.00 0.00 N ATOM 259 CA ILE A 20 6.034 -0.102 -8.674 1.00 0.00 C ATOM 260 C ILE A 20 7.280 0.073 -7.804 1.00 0.00 C ATOM 261 O ILE A 20 8.255 0.692 -8.228 1.00 0.00 O ATOM 262 CB ILE A 20 6.345 -0.439 -10.134 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.162 -1.149 -10.796 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.637 -1.251 -10.246 1.00 0.00 C ATOM 265 CD1 ILE A 20 4.883 -0.569 -12.185 1.00 0.00 C ATOM 0 H ILE A 20 5.334 1.747 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 20 5.489 -0.961 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 20 6.504 0.494 -10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.373 -2.215 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.275 -1.047 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.835 -1.477 -11.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.466 -0.674 -9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.532 -2.181 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.038 -1.091 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.649 0.492 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.763 -0.695 -12.815 1.00 0.00 H new ATOM 277 N LEU A 21 7.208 -0.483 -6.604 1.00 0.00 N ATOM 278 CA LEU A 21 8.319 -0.396 -5.671 1.00 0.00 C ATOM 279 C LEU A 21 9.127 -1.694 -5.725 1.00 0.00 C ATOM 280 O LEU A 21 8.561 -2.776 -5.872 1.00 0.00 O ATOM 281 CB LEU A 21 7.815 -0.043 -4.270 1.00 0.00 C ATOM 282 CG LEU A 21 6.937 1.206 -4.168 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.460 1.425 -2.731 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.663 2.433 -4.724 1.00 0.00 C ATOM 0 H LEU A 21 6.398 -0.996 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 21 8.993 0.412 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.251 -0.892 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.678 0.090 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 21 6.050 1.051 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.838 2.319 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.879 0.562 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.323 1.550 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.017 3.307 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.578 2.602 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.911 2.265 -5.772 1.00 0.00 H new ATOM 296 N HIS A 22 10.437 -1.543 -5.602 1.00 0.00 N ATOM 297 CA HIS A 22 11.329 -2.690 -5.635 1.00 0.00 C ATOM 298 C HIS A 22 11.906 -2.931 -4.238 1.00 0.00 C ATOM 299 O HIS A 22 12.842 -2.250 -3.823 1.00 0.00 O ATOM 300 CB HIS A 22 12.412 -2.507 -6.700 1.00 0.00 C ATOM 301 CG HIS A 22 11.881 -2.458 -8.113 1.00 0.00 C ATOM 302 ND1 HIS A 22 11.320 -3.429 -8.889 1.00 0.00 N flip ATOM 303 CD2 HIS A 22 11.896 -1.306 -8.880 1.00 0.00 C flip ATOM 304 CE1 HIS A 22 11.009 -2.900 -10.065 1.00 0.00 C flip ATOM 305 NE2 HIS A 22 11.366 -1.583 -10.062 1.00 0.00 N flip ATOM 0 H HIS A 22 10.903 -0.644 -5.479 1.00 0.00 H new ATOM 0 HA HIS A 22 10.770 -3.582 -5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.957 -1.585 -6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.128 -3.325 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 22 12.275 -0.344 -8.568 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.549 -3.425 -10.889 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.246 -0.927 -10.834 1.00 0.00 H new ATOM 313 N LYS A 23 11.324 -3.904 -3.552 1.00 0.00 N ATOM 314 CA LYS A 23 11.769 -4.243 -2.211 1.00 0.00 C ATOM 315 C LYS A 23 13.293 -4.135 -2.141 1.00 0.00 C ATOM 316 O LYS A 23 14.004 -4.893 -2.799 1.00 0.00 O ATOM 317 CB LYS A 23 11.230 -5.615 -1.799 1.00 0.00 C ATOM 318 CG LYS A 23 9.863 -5.488 -1.125 1.00 0.00 C ATOM 319 CD LYS A 23 9.676 -6.567 -0.057 1.00 0.00 C ATOM 320 CE LYS A 23 9.138 -7.860 -0.673 1.00 0.00 C ATOM 321 NZ LYS A 23 9.521 -9.026 0.154 1.00 0.00 N ATOM 0 H LYS A 23 10.549 -4.468 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 23 11.366 -3.536 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.148 -6.256 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.932 -6.096 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.768 -4.502 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.075 -5.572 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.628 -6.764 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.987 -6.210 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.052 -7.806 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.529 -7.979 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.148 -9.895 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.558 -9.085 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.127 -8.918 1.110 1.00 0.00 H new ATOM 335 N GLY A 24 13.751 -3.186 -1.338 1.00 0.00 N ATOM 336 CA GLY A 24 15.178 -2.968 -1.174 1.00 0.00 C ATOM 337 C GLY A 24 15.861 -4.214 -0.605 1.00 0.00 C ATOM 338 O GLY A 24 16.587 -4.907 -1.316 1.00 0.00 O ATOM 0 H GLY A 24 13.159 -2.559 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.623 -2.712 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.346 -2.121 -0.509 1.00 0.00 H new ATOM 342 N SER A 25 15.604 -4.460 0.671 1.00 0.00 N ATOM 343 CA SER A 25 16.184 -5.610 1.343 1.00 0.00 C ATOM 344 C SER A 25 15.102 -6.655 1.620 1.00 0.00 C ATOM 345 O SER A 25 15.223 -7.805 1.202 1.00 0.00 O ATOM 346 CB SER A 25 16.871 -5.197 2.647 1.00 0.00 C ATOM 347 OG SER A 25 18.290 -5.270 2.549 1.00 0.00 O ATOM 0 H SER A 25 15.002 -3.882 1.257 1.00 0.00 H new ATOM 0 HA SER A 25 16.939 -6.044 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.577 -4.179 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.530 -5.842 3.457 1.00 0.00 H new ATOM 0 HG SER A 25 18.691 -4.997 3.400 1.00 0.00 H new ATOM 353 N THR A 26 14.069 -6.218 2.325 1.00 0.00 N ATOM 354 CA THR A 26 12.966 -7.102 2.663 1.00 0.00 C ATOM 355 C THR A 26 11.708 -6.289 2.975 1.00 0.00 C ATOM 356 O THR A 26 10.830 -6.752 3.702 1.00 0.00 O ATOM 357 CB THR A 26 13.414 -7.996 3.821 1.00 0.00 C ATOM 358 OG1 THR A 26 12.211 -8.613 4.269 1.00 0.00 O ATOM 359 CG2 THR A 26 13.893 -7.191 5.031 1.00 0.00 C ATOM 0 H THR A 26 13.972 -5.264 2.672 1.00 0.00 H new ATOM 0 HA THR A 26 12.701 -7.743 1.822 1.00 0.00 H new ATOM 0 HB THR A 26 14.215 -8.654 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.594 -7.926 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.199 -7.873 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.739 -6.568 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.082 -6.558 5.391 1.00 0.00 H new ATOM 367 N GLY A 27 11.660 -5.092 2.409 1.00 0.00 N ATOM 368 CA GLY A 27 10.524 -4.211 2.618 1.00 0.00 C ATOM 369 C GLY A 27 10.319 -3.286 1.416 1.00 0.00 C ATOM 370 O GLY A 27 11.229 -3.099 0.610 1.00 0.00 O ATOM 0 H GLY A 27 12.390 -4.712 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.625 -4.804 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.682 -3.615 3.517 1.00 0.00 H new ATOM 374 N LEU A 28 9.118 -2.733 1.334 1.00 0.00 N ATOM 375 CA LEU A 28 8.781 -1.833 0.244 1.00 0.00 C ATOM 376 C LEU A 28 9.050 -0.391 0.678 1.00 0.00 C ATOM 377 O LEU A 28 8.999 0.527 -0.140 1.00 0.00 O ATOM 378 CB LEU A 28 7.347 -2.076 -0.229 1.00 0.00 C ATOM 379 CG LEU A 28 7.103 -3.381 -0.990 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.605 -3.652 -1.146 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.828 -3.373 -2.337 1.00 0.00 C ATOM 0 H LEU A 28 8.366 -2.891 2.005 1.00 0.00 H new ATOM 0 HA LEU A 28 9.414 -2.029 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.691 -2.058 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.051 -1.245 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 28 7.519 -4.201 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.459 -4.585 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.145 -3.730 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.143 -2.834 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.638 -4.312 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.463 -2.542 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.900 -3.259 -2.173 1.00 0.00 H new ATOM 393 N GLY A 29 9.330 -0.236 1.964 1.00 0.00 N ATOM 394 CA GLY A 29 9.607 1.079 2.516 1.00 0.00 C ATOM 395 C GLY A 29 8.311 1.857 2.755 1.00 0.00 C ATOM 396 O GLY A 29 8.233 3.048 2.455 1.00 0.00 O ATOM 0 H GLY A 29 9.371 -0.999 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.152 0.976 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.249 1.636 1.834 1.00 0.00 H new ATOM 400 N PHE A 30 7.326 1.153 3.293 1.00 0.00 N ATOM 401 CA PHE A 30 6.038 1.762 3.575 1.00 0.00 C ATOM 402 C PHE A 30 5.094 0.763 4.247 1.00 0.00 C ATOM 403 O PHE A 30 5.139 -0.431 3.956 1.00 0.00 O ATOM 404 CB PHE A 30 5.440 2.187 2.233 1.00 0.00 C ATOM 405 CG PHE A 30 4.798 1.042 1.447 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.677 0.436 1.921 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.349 0.630 0.274 1.00 0.00 C ATOM 408 CE1 PHE A 30 3.082 -0.627 1.192 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.754 -0.433 -0.456 1.00 0.00 C ATOM 410 CZ PHE A 30 3.633 -1.039 0.019 1.00 0.00 C ATOM 0 H PHE A 30 7.394 0.166 3.541 1.00 0.00 H new ATOM 0 HA PHE A 30 6.167 2.609 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.690 2.958 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.224 2.637 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.239 0.763 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.239 1.111 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.192 -1.108 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.191 -0.760 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.180 -1.848 -0.536 1.00 0.00 H new ATOM 420 N ASN A 31 4.260 1.289 5.133 1.00 0.00 N ATOM 421 CA ASN A 31 3.307 0.457 5.848 1.00 0.00 C ATOM 422 C ASN A 31 1.910 0.673 5.264 1.00 0.00 C ATOM 423 O ASN A 31 1.728 1.496 4.368 1.00 0.00 O ATOM 424 CB ASN A 31 3.260 0.826 7.333 1.00 0.00 C ATOM 425 CG ASN A 31 3.530 -0.399 8.210 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.365 -1.536 7.801 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.953 -0.103 9.436 1.00 0.00 N ATOM 0 H ASN A 31 4.225 2.280 5.372 1.00 0.00 H new ATOM 0 HA ASN A 31 3.621 -0.582 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.000 1.599 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.284 1.245 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.161 -0.851 10.098 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.070 0.871 9.714 1.00 0.00 H new ATOM 434 N ILE A 32 0.958 -0.081 5.794 1.00 0.00 N ATOM 435 CA ILE A 32 -0.417 0.017 5.336 1.00 0.00 C ATOM 436 C ILE A 32 -1.360 -0.110 6.535 1.00 0.00 C ATOM 437 O ILE A 32 -0.976 -0.637 7.578 1.00 0.00 O ATOM 438 CB ILE A 32 -0.688 -1.005 4.231 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.224 -2.402 4.649 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.056 -0.564 2.909 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.275 -3.457 4.297 1.00 0.00 C ATOM 0 H ILE A 32 1.112 -0.763 6.537 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.600 0.993 4.887 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.765 -1.057 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.716 -2.641 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.031 -2.419 5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.264 -1.308 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.475 0.396 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.022 -0.465 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.920 -4.441 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.207 -3.229 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.448 -3.454 3.221 1.00 0.00 H new ATOM 453 N VAL A 33 -2.575 0.383 6.346 1.00 0.00 N ATOM 454 CA VAL A 33 -3.575 0.331 7.399 1.00 0.00 C ATOM 455 C VAL A 33 -4.936 -0.011 6.788 1.00 0.00 C ATOM 456 O VAL A 33 -5.057 -0.148 5.572 1.00 0.00 O ATOM 457 CB VAL A 33 -3.584 1.648 8.178 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.158 2.138 8.442 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.402 2.713 7.445 1.00 0.00 C ATOM 0 H VAL A 33 -2.890 0.820 5.480 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.334 -0.454 8.116 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.060 1.464 9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.192 3.075 8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.619 1.391 9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.646 2.297 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.392 3.639 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.968 2.892 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.430 2.368 7.331 1.00 0.00 H new ATOM 469 N GLY A 34 -5.925 -0.138 7.660 1.00 0.00 N ATOM 470 CA GLY A 34 -7.272 -0.461 7.221 1.00 0.00 C ATOM 471 C GLY A 34 -7.559 -1.955 7.387 1.00 0.00 C ATOM 472 O GLY A 34 -6.761 -2.683 7.976 1.00 0.00 O ATOM 0 H GLY A 34 -5.821 -0.023 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.995 0.118 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.396 -0.177 6.176 1.00 0.00 H new ATOM 476 N GLY A 35 -8.700 -2.368 6.856 1.00 0.00 N ATOM 477 CA GLY A 35 -9.103 -3.762 6.938 1.00 0.00 C ATOM 478 C GLY A 35 -10.229 -3.949 7.956 1.00 0.00 C ATOM 479 O GLY A 35 -10.403 -5.038 8.501 1.00 0.00 O ATOM 0 H GLY A 35 -9.359 -1.762 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.433 -4.107 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.247 -4.375 7.220 1.00 0.00 H new ATOM 483 N GLU A 36 -10.963 -2.870 8.184 1.00 0.00 N ATOM 484 CA GLU A 36 -12.068 -2.902 9.127 1.00 0.00 C ATOM 485 C GLU A 36 -13.386 -2.600 8.412 1.00 0.00 C ATOM 486 O GLU A 36 -13.564 -1.514 7.863 1.00 0.00 O ATOM 487 CB GLU A 36 -11.832 -1.923 10.280 1.00 0.00 C ATOM 488 CG GLU A 36 -10.513 -2.224 10.994 1.00 0.00 C ATOM 489 CD GLU A 36 -10.567 -1.777 12.456 1.00 0.00 C ATOM 490 OE1 GLU A 36 -10.459 -0.552 12.680 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.715 -2.671 13.317 1.00 0.00 O ATOM 0 H GLU A 36 -10.814 -1.968 7.732 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.130 -3.904 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.818 -0.902 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.657 -1.986 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.304 -3.293 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.695 -1.715 10.484 1.00 0.00 H new ATOM 498 N ASP A 37 -14.276 -3.581 8.442 1.00 0.00 N ATOM 499 CA ASP A 37 -15.573 -3.434 7.803 1.00 0.00 C ATOM 500 C ASP A 37 -15.373 -3.071 6.330 1.00 0.00 C ATOM 501 O ASP A 37 -16.107 -2.248 5.785 1.00 0.00 O ATOM 502 CB ASP A 37 -16.387 -2.316 8.459 1.00 0.00 C ATOM 503 CG ASP A 37 -16.792 -2.578 9.911 1.00 0.00 C ATOM 504 OD1 ASP A 37 -16.617 -3.736 10.349 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.269 -1.615 10.549 1.00 0.00 O ATOM 0 H ASP A 37 -14.125 -4.480 8.899 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.108 -4.378 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.807 -1.394 8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.289 -2.150 7.870 1.00 0.00 H new ATOM 510 N GLY A 38 -14.376 -3.703 5.728 1.00 0.00 N ATOM 511 CA GLY A 38 -14.071 -3.457 4.329 1.00 0.00 C ATOM 512 C GLY A 38 -14.124 -1.961 4.011 1.00 0.00 C ATOM 513 O GLY A 38 -14.856 -1.539 3.117 1.00 0.00 O ATOM 0 H GLY A 38 -13.769 -4.385 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.081 -3.847 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.781 -3.992 3.699 1.00 0.00 H new ATOM 517 N GLU A 39 -13.340 -1.201 4.760 1.00 0.00 N ATOM 518 CA GLU A 39 -13.289 0.239 4.569 1.00 0.00 C ATOM 519 C GLU A 39 -12.258 0.596 3.496 1.00 0.00 C ATOM 520 O GLU A 39 -12.422 1.580 2.776 1.00 0.00 O ATOM 521 CB GLU A 39 -12.981 0.956 5.885 1.00 0.00 C ATOM 522 CG GLU A 39 -11.556 0.654 6.354 1.00 0.00 C ATOM 523 CD GLU A 39 -11.518 0.395 7.861 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.529 0.724 8.519 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.479 -0.126 8.322 1.00 0.00 O ATOM 0 H GLU A 39 -12.734 -1.555 5.501 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.269 0.576 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.105 2.031 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.693 0.643 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.171 -0.216 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.903 1.492 6.109 1.00 0.00 H new ATOM 532 N GLY A 40 -11.220 -0.224 3.422 1.00 0.00 N ATOM 533 CA GLY A 40 -10.163 -0.007 2.449 1.00 0.00 C ATOM 534 C GLY A 40 -8.784 -0.097 3.107 1.00 0.00 C ATOM 535 O GLY A 40 -8.667 -0.524 4.255 1.00 0.00 O ATOM 0 H GLY A 40 -11.088 -1.040 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.239 -0.748 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.286 0.972 1.986 1.00 0.00 H new ATOM 539 N ILE A 41 -7.776 0.313 2.352 1.00 0.00 N ATOM 540 CA ILE A 41 -6.410 0.284 2.848 1.00 0.00 C ATOM 541 C ILE A 41 -5.747 1.637 2.583 1.00 0.00 C ATOM 542 O ILE A 41 -6.071 2.310 1.606 1.00 0.00 O ATOM 543 CB ILE A 41 -5.649 -0.902 2.252 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.432 -2.204 2.433 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.237 -0.996 2.834 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.133 -2.838 3.793 1.00 0.00 C ATOM 0 H ILE A 41 -7.877 0.667 1.401 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.399 0.130 3.927 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.545 -0.736 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.500 -2.005 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.173 -2.902 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.718 -1.847 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.689 -0.081 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.297 -1.127 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.702 -3.762 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.068 -3.058 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.416 -2.147 4.587 1.00 0.00 H new ATOM 558 N PHE A 42 -4.830 1.995 3.470 1.00 0.00 N ATOM 559 CA PHE A 42 -4.119 3.255 3.344 1.00 0.00 C ATOM 560 C PHE A 42 -2.722 3.160 3.961 1.00 0.00 C ATOM 561 O PHE A 42 -2.513 2.421 4.922 1.00 0.00 O ATOM 562 CB PHE A 42 -4.930 4.305 4.106 1.00 0.00 C ATOM 563 CG PHE A 42 -6.285 4.624 3.473 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.331 3.769 3.637 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.445 5.762 2.745 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.589 4.066 3.049 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.704 6.058 2.158 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.749 5.203 2.322 1.00 0.00 C ATOM 0 H PHE A 42 -4.563 1.434 4.279 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.005 3.514 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.090 3.956 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.346 5.223 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.204 2.865 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.615 6.440 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.419 3.388 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.832 6.962 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.706 5.428 1.874 1.00 0.00 H new ATOM 578 N VAL A 43 -1.802 3.919 3.384 1.00 0.00 N ATOM 579 CA VAL A 43 -0.431 3.930 3.865 1.00 0.00 C ATOM 580 C VAL A 43 -0.399 4.488 5.289 1.00 0.00 C ATOM 581 O VAL A 43 -1.099 5.451 5.598 1.00 0.00 O ATOM 582 CB VAL A 43 0.457 4.714 2.896 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.830 4.990 3.513 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.593 3.980 1.561 1.00 0.00 C ATOM 0 H VAL A 43 -1.979 4.531 2.587 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.032 2.916 3.904 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.023 5.674 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.442 5.548 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.708 5.573 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.319 4.045 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.229 4.559 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.039 3.000 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.392 3.858 1.111 1.00 0.00 H new ATOM 594 N SER A 44 0.420 3.858 6.119 1.00 0.00 N ATOM 595 CA SER A 44 0.552 4.279 7.503 1.00 0.00 C ATOM 596 C SER A 44 1.853 5.062 7.690 1.00 0.00 C ATOM 597 O SER A 44 1.888 6.048 8.426 1.00 0.00 O ATOM 598 CB SER A 44 0.514 3.078 8.450 1.00 0.00 C ATOM 599 OG SER A 44 1.791 2.811 9.025 1.00 0.00 O ATOM 0 H SER A 44 0.999 3.059 5.859 1.00 0.00 H new ATOM 0 HA SER A 44 -0.291 4.925 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.209 3.265 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.170 2.198 7.906 1.00 0.00 H new ATOM 0 HG SER A 44 1.725 2.039 9.625 1.00 0.00 H new ATOM 605 N PHE A 45 2.890 4.595 7.012 1.00 0.00 N ATOM 606 CA PHE A 45 4.190 5.239 7.094 1.00 0.00 C ATOM 607 C PHE A 45 5.051 4.893 5.878 1.00 0.00 C ATOM 608 O PHE A 45 4.739 3.963 5.136 1.00 0.00 O ATOM 609 CB PHE A 45 4.874 4.707 8.356 1.00 0.00 C ATOM 610 CG PHE A 45 6.352 5.084 8.468 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.710 6.284 8.997 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.309 4.217 8.038 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.083 6.634 9.101 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.681 4.567 8.143 1.00 0.00 C ATOM 615 CZ PHE A 45 9.039 5.767 8.671 1.00 0.00 C ATOM 0 H PHE A 45 2.857 3.778 6.403 1.00 0.00 H new ATOM 0 HA PHE A 45 4.068 6.322 7.123 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.346 5.086 9.231 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.784 3.621 8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.950 6.972 9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.025 3.264 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.367 7.587 9.521 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.441 3.879 7.803 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.083 6.032 8.749 1.00 0.00 H new ATOM 625 N ILE A 46 6.118 5.661 5.711 1.00 0.00 N ATOM 626 CA ILE A 46 7.027 5.448 4.597 1.00 0.00 C ATOM 627 C ILE A 46 8.470 5.529 5.099 1.00 0.00 C ATOM 628 O ILE A 46 8.881 6.547 5.654 1.00 0.00 O ATOM 629 CB ILE A 46 6.716 6.421 3.458 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.305 6.193 2.912 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.776 6.335 2.359 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.350 5.521 1.539 1.00 0.00 C ATOM 0 H ILE A 46 6.373 6.432 6.328 1.00 0.00 H new ATOM 0 HA ILE A 46 6.890 4.451 4.179 1.00 0.00 H new ATOM 0 HB ILE A 46 6.747 7.435 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.739 5.572 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.782 7.146 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.531 7.037 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.752 6.584 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.801 5.322 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.334 5.371 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.896 6.156 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.852 4.557 1.622 1.00 0.00 H new ATOM 644 N LEU A 47 9.199 4.444 4.886 1.00 0.00 N ATOM 645 CA LEU A 47 10.587 4.379 5.309 1.00 0.00 C ATOM 646 C LEU A 47 11.399 5.424 4.541 1.00 0.00 C ATOM 647 O LEU A 47 11.057 5.774 3.412 1.00 0.00 O ATOM 648 CB LEU A 47 11.125 2.954 5.166 1.00 0.00 C ATOM 649 CG LEU A 47 12.587 2.746 5.568 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.691 2.140 6.968 1.00 0.00 C ATOM 651 CD2 LEU A 47 13.328 1.908 4.524 1.00 0.00 C ATOM 0 H LEU A 47 8.854 3.602 4.425 1.00 0.00 H new ATOM 0 HA LEU A 47 10.674 4.622 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.505 2.290 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.007 2.645 4.128 1.00 0.00 H new ATOM 0 HG LEU A 47 13.073 3.721 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.741 2.003 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.223 2.809 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.184 1.175 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.365 1.775 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.849 0.933 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.299 2.418 3.561 1.00 0.00 H new ATOM 663 N ALA A 48 12.459 5.892 5.183 1.00 0.00 N ATOM 664 CA ALA A 48 13.323 6.889 4.574 1.00 0.00 C ATOM 665 C ALA A 48 14.516 6.192 3.917 1.00 0.00 C ATOM 666 O ALA A 48 15.395 5.677 4.607 1.00 0.00 O ATOM 667 CB ALA A 48 13.752 7.908 5.632 1.00 0.00 C ATOM 0 H ALA A 48 12.739 5.599 6.119 1.00 0.00 H new ATOM 0 HA ALA A 48 12.790 7.434 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.400 8.656 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.870 8.396 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.292 7.399 6.430 1.00 0.00 H new ATOM 673 N GLY A 49 14.508 6.197 2.592 1.00 0.00 N ATOM 674 CA GLY A 49 15.579 5.571 1.835 1.00 0.00 C ATOM 675 C GLY A 49 15.088 4.302 1.137 1.00 0.00 C ATOM 676 O GLY A 49 15.791 3.737 0.301 1.00 0.00 O ATOM 0 H GLY A 49 13.777 6.625 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.963 6.272 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.406 5.327 2.502 1.00 0.00 H new ATOM 680 N GLY A 50 13.883 3.891 1.505 1.00 0.00 N ATOM 681 CA GLY A 50 13.289 2.699 0.924 1.00 0.00 C ATOM 682 C GLY A 50 12.885 2.941 -0.532 1.00 0.00 C ATOM 683 O GLY A 50 13.155 4.006 -1.085 1.00 0.00 O ATOM 0 H GLY A 50 13.302 4.362 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.998 1.873 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.414 2.405 1.504 1.00 0.00 H new ATOM 687 N PRO A 51 12.228 1.909 -1.125 1.00 0.00 N ATOM 688 CA PRO A 51 11.784 2.000 -2.506 1.00 0.00 C ATOM 689 C PRO A 51 10.553 2.900 -2.628 1.00 0.00 C ATOM 690 O PRO A 51 10.367 3.569 -3.643 1.00 0.00 O ATOM 691 CB PRO A 51 11.515 0.564 -2.927 1.00 0.00 C ATOM 692 CG PRO A 51 11.370 -0.229 -1.638 1.00 0.00 C ATOM 693 CD PRO A 51 11.891 0.634 -0.500 1.00 0.00 C ATOM 0 HA PRO A 51 12.527 2.460 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.610 0.497 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.332 0.176 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.327 -0.495 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.931 -1.161 -1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.138 0.761 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.763 0.182 -0.028 1.00 0.00 H new ATOM 701 N ALA A 52 9.744 2.887 -1.579 1.00 0.00 N ATOM 702 CA ALA A 52 8.535 3.694 -1.556 1.00 0.00 C ATOM 703 C ALA A 52 8.917 5.175 -1.524 1.00 0.00 C ATOM 704 O ALA A 52 8.217 6.012 -2.091 1.00 0.00 O ATOM 705 CB ALA A 52 7.673 3.288 -0.359 1.00 0.00 C ATOM 0 H ALA A 52 9.902 2.331 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 52 7.943 3.525 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.766 3.893 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.405 2.235 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.233 3.446 0.563 1.00 0.00 H new ATOM 711 N ASP A 53 10.027 5.454 -0.856 1.00 0.00 N ATOM 712 CA ASP A 53 10.510 6.819 -0.743 1.00 0.00 C ATOM 713 C ASP A 53 11.398 7.142 -1.946 1.00 0.00 C ATOM 714 O ASP A 53 11.127 8.086 -2.687 1.00 0.00 O ATOM 715 CB ASP A 53 11.345 7.005 0.525 1.00 0.00 C ATOM 716 CG ASP A 53 11.652 8.459 0.890 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.664 9.288 -0.045 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.868 8.708 2.096 1.00 0.00 O ATOM 0 H ASP A 53 10.606 4.757 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 53 9.645 7.481 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.820 6.540 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.287 6.470 0.403 1.00 0.00 H new ATOM 723 N LEU A 54 12.441 6.340 -2.103 1.00 0.00 N ATOM 724 CA LEU A 54 13.371 6.529 -3.204 1.00 0.00 C ATOM 725 C LEU A 54 12.585 6.745 -4.499 1.00 0.00 C ATOM 726 O LEU A 54 12.736 7.773 -5.156 1.00 0.00 O ATOM 727 CB LEU A 54 14.363 5.366 -3.273 1.00 0.00 C ATOM 728 CG LEU A 54 15.463 5.359 -2.210 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.570 4.367 -2.573 1.00 0.00 C ATOM 730 CD2 LEU A 54 16.011 6.769 -1.978 1.00 0.00 C ATOM 0 H LEU A 54 12.663 5.558 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 54 13.974 7.423 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.805 4.433 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.835 5.375 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 54 15.026 5.024 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.339 4.382 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.150 3.364 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.011 4.648 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.791 6.736 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.427 7.155 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.205 7.422 -1.642 1.00 0.00 H new ATOM 742 N SER A 55 11.764 5.758 -4.826 1.00 0.00 N ATOM 743 CA SER A 55 10.954 5.827 -6.030 1.00 0.00 C ATOM 744 C SER A 55 10.287 7.201 -6.135 1.00 0.00 C ATOM 745 O SER A 55 10.257 7.800 -7.209 1.00 0.00 O ATOM 746 CB SER A 55 9.897 4.722 -6.048 1.00 0.00 C ATOM 747 OG SER A 55 9.235 4.635 -7.307 1.00 0.00 O ATOM 0 H SER A 55 11.642 4.906 -4.278 1.00 0.00 H new ATOM 0 HA SER A 55 11.608 5.681 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.368 3.766 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.163 4.910 -5.265 1.00 0.00 H new ATOM 0 HG SER A 55 8.569 3.917 -7.277 1.00 0.00 H new ATOM 753 N GLY A 56 9.770 7.659 -5.005 1.00 0.00 N ATOM 754 CA GLY A 56 9.105 8.950 -4.955 1.00 0.00 C ATOM 755 C GLY A 56 7.692 8.863 -5.535 1.00 0.00 C ATOM 756 O GLY A 56 7.146 9.860 -6.003 1.00 0.00 O ATOM 0 H GLY A 56 9.798 7.159 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.057 9.299 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.686 9.684 -5.513 1.00 0.00 H new ATOM 760 N GLU A 57 7.140 7.659 -5.486 1.00 0.00 N ATOM 761 CA GLU A 57 5.801 7.428 -6.000 1.00 0.00 C ATOM 762 C GLU A 57 4.813 7.249 -4.846 1.00 0.00 C ATOM 763 O GLU A 57 3.754 7.875 -4.829 1.00 0.00 O ATOM 764 CB GLU A 57 5.775 6.218 -6.937 1.00 0.00 C ATOM 765 CG GLU A 57 6.911 6.292 -7.960 1.00 0.00 C ATOM 766 CD GLU A 57 6.542 7.217 -9.122 1.00 0.00 C ATOM 767 OE1 GLU A 57 6.105 8.350 -8.828 1.00 0.00 O ATOM 768 OE2 GLU A 57 6.707 6.769 -10.277 1.00 0.00 O ATOM 0 H GLU A 57 7.596 6.833 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 57 5.499 8.301 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.864 5.301 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.817 6.175 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.818 6.654 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.129 5.294 -8.340 1.00 0.00 H new ATOM 775 N LEU A 58 5.194 6.393 -3.910 1.00 0.00 N ATOM 776 CA LEU A 58 4.354 6.125 -2.755 1.00 0.00 C ATOM 777 C LEU A 58 4.554 7.230 -1.716 1.00 0.00 C ATOM 778 O LEU A 58 5.679 7.666 -1.478 1.00 0.00 O ATOM 779 CB LEU A 58 4.620 4.718 -2.215 1.00 0.00 C ATOM 780 CG LEU A 58 3.383 3.856 -1.951 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.775 2.401 -1.687 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.542 4.439 -0.813 1.00 0.00 C ATOM 0 H LEU A 58 6.073 5.876 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 58 3.301 6.140 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.260 4.193 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.181 4.807 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 58 2.763 3.864 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.878 1.810 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.300 2.002 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.427 2.352 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.669 3.808 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.140 4.480 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.217 5.445 -1.079 1.00 0.00 H new ATOM 794 N ARG A 59 3.445 7.651 -1.126 1.00 0.00 N ATOM 795 CA ARG A 59 3.484 8.698 -0.119 1.00 0.00 C ATOM 796 C ARG A 59 2.499 8.385 1.009 1.00 0.00 C ATOM 797 O ARG A 59 1.473 7.746 0.783 1.00 0.00 O ATOM 798 CB ARG A 59 3.140 10.059 -0.725 1.00 0.00 C ATOM 799 CG ARG A 59 4.108 10.418 -1.855 1.00 0.00 C ATOM 800 CD ARG A 59 4.356 11.927 -1.906 1.00 0.00 C ATOM 801 NE ARG A 59 5.748 12.196 -2.330 1.00 0.00 N ATOM 802 CZ ARG A 59 6.363 13.378 -2.183 1.00 0.00 C ATOM 803 NH1 ARG A 59 5.713 14.406 -1.621 1.00 0.00 N ATOM 804 NH2 ARG A 59 7.628 13.531 -2.597 1.00 0.00 N ATOM 0 H ARG A 59 2.514 7.286 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 59 4.498 8.738 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.119 10.043 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.179 10.826 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.053 9.895 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.701 10.080 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.658 12.395 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.174 12.367 -0.926 1.00 0.00 H new ATOM 0 HE ARG A 59 6.272 11.435 -2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.750 14.289 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.181 15.305 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.123 12.748 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.096 14.430 -2.485 1.00 0.00 H new ATOM 818 N ARG A 60 2.845 8.852 2.200 1.00 0.00 N ATOM 819 CA ARG A 60 2.004 8.630 3.364 1.00 0.00 C ATOM 820 C ARG A 60 0.665 9.352 3.197 1.00 0.00 C ATOM 821 O ARG A 60 0.617 10.580 3.176 1.00 0.00 O ATOM 822 CB ARG A 60 2.687 9.127 4.640 1.00 0.00 C ATOM 823 CG ARG A 60 1.727 9.080 5.830 1.00 0.00 C ATOM 824 CD ARG A 60 2.370 9.688 7.078 1.00 0.00 C ATOM 825 NE ARG A 60 1.394 10.549 7.782 1.00 0.00 N ATOM 826 CZ ARG A 60 0.879 11.675 7.270 1.00 0.00 C ATOM 827 NH1 ARG A 60 1.245 12.084 6.047 1.00 0.00 N ATOM 828 NH2 ARG A 60 -0.001 12.393 7.981 1.00 0.00 N ATOM 0 H ARG A 60 3.696 9.383 2.384 1.00 0.00 H new ATOM 0 HA ARG A 60 1.834 7.557 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.563 8.513 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.041 10.148 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.813 9.622 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.441 8.047 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.714 8.896 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.247 10.272 6.798 1.00 0.00 H new ATOM 0 HE ARG A 60 1.094 10.268 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.916 11.538 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.853 12.941 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.279 12.082 8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.393 13.250 7.591 1.00 0.00 H new ATOM 842 N GLY A 61 -0.388 8.557 3.081 1.00 0.00 N ATOM 843 CA GLY A 61 -1.724 9.104 2.916 1.00 0.00 C ATOM 844 C GLY A 61 -2.362 8.611 1.616 1.00 0.00 C ATOM 845 O GLY A 61 -3.456 9.042 1.254 1.00 0.00 O ATOM 0 H GLY A 61 -0.343 7.538 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.346 8.815 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.677 10.193 2.912 1.00 0.00 H new ATOM 849 N ASP A 62 -1.652 7.713 0.949 1.00 0.00 N ATOM 850 CA ASP A 62 -2.135 7.156 -0.303 1.00 0.00 C ATOM 851 C ASP A 62 -2.914 5.871 -0.017 1.00 0.00 C ATOM 852 O ASP A 62 -2.413 4.974 0.658 1.00 0.00 O ATOM 853 CB ASP A 62 -0.973 6.807 -1.235 1.00 0.00 C ATOM 854 CG ASP A 62 -1.035 7.460 -2.617 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.524 8.595 -2.732 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.592 6.809 -3.528 1.00 0.00 O ATOM 0 H ASP A 62 -0.745 7.357 1.252 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.770 7.902 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.040 7.099 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.941 5.725 -1.362 1.00 0.00 H new ATOM 861 N ARG A 63 -4.128 5.823 -0.546 1.00 0.00 N ATOM 862 CA ARG A 63 -4.982 4.663 -0.357 1.00 0.00 C ATOM 863 C ARG A 63 -4.576 3.543 -1.316 1.00 0.00 C ATOM 864 O ARG A 63 -4.627 3.713 -2.533 1.00 0.00 O ATOM 865 CB ARG A 63 -6.452 5.017 -0.590 1.00 0.00 C ATOM 866 CG ARG A 63 -7.359 3.825 -0.278 1.00 0.00 C ATOM 867 CD ARG A 63 -8.707 3.961 -0.989 1.00 0.00 C ATOM 868 NE ARG A 63 -9.745 3.202 -0.256 1.00 0.00 N ATOM 869 CZ ARG A 63 -11.024 3.111 -0.644 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.432 3.731 -1.760 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.896 2.401 0.084 1.00 0.00 N ATOM 0 H ARG A 63 -4.540 6.569 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.860 4.326 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.730 5.864 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.596 5.327 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.871 2.901 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.517 3.755 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.990 5.012 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.627 3.590 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.469 2.718 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.769 4.272 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.406 3.661 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.586 1.930 0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.870 2.332 -0.211 1.00 0.00 H new ATOM 885 N ILE A 64 -4.181 2.421 -0.732 1.00 0.00 N ATOM 886 CA ILE A 64 -3.766 1.273 -1.519 1.00 0.00 C ATOM 887 C ILE A 64 -4.997 0.619 -2.149 1.00 0.00 C ATOM 888 O ILE A 64 -5.780 -0.032 -1.459 1.00 0.00 O ATOM 889 CB ILE A 64 -2.928 0.315 -0.670 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.754 1.046 -0.015 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.465 -0.888 -1.495 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.616 1.261 -1.015 1.00 0.00 C ATOM 0 H ILE A 64 -4.140 2.283 0.278 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.118 1.587 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.558 -0.068 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.090 2.008 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.391 0.470 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.871 -1.553 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.334 -1.426 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.859 -0.543 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.206 1.782 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.266 0.296 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.976 1.858 -1.853 1.00 0.00 H new ATOM 904 N LEU A 65 -5.131 0.816 -3.452 1.00 0.00 N ATOM 905 CA LEU A 65 -6.255 0.254 -4.182 1.00 0.00 C ATOM 906 C LEU A 65 -6.015 -1.240 -4.408 1.00 0.00 C ATOM 907 O LEU A 65 -6.843 -2.069 -4.034 1.00 0.00 O ATOM 908 CB LEU A 65 -6.502 1.039 -5.472 1.00 0.00 C ATOM 909 CG LEU A 65 -7.325 2.321 -5.330 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.714 2.020 -4.763 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.578 3.362 -4.495 1.00 0.00 C ATOM 0 H LEU A 65 -4.480 1.357 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.172 0.346 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.537 1.297 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.007 0.384 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.468 2.748 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.279 2.948 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.240 1.339 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.614 1.558 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.185 4.263 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.384 2.960 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.632 3.606 -4.979 1.00 0.00 H new ATOM 923 N SER A 66 -4.877 -1.539 -5.018 1.00 0.00 N ATOM 924 CA SER A 66 -4.518 -2.918 -5.298 1.00 0.00 C ATOM 925 C SER A 66 -3.001 -3.093 -5.204 1.00 0.00 C ATOM 926 O SER A 66 -2.251 -2.127 -5.338 1.00 0.00 O ATOM 927 CB SER A 66 -5.017 -3.348 -6.679 1.00 0.00 C ATOM 928 OG SER A 66 -4.694 -2.392 -7.685 1.00 0.00 O ATOM 0 H SER A 66 -4.192 -0.849 -5.326 1.00 0.00 H new ATOM 0 HA SER A 66 -4.998 -3.554 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.578 -4.311 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.097 -3.489 -6.646 1.00 0.00 H new ATOM 0 HG SER A 66 -5.028 -2.704 -8.552 1.00 0.00 H new ATOM 934 N VAL A 67 -2.593 -4.333 -4.974 1.00 0.00 N ATOM 935 CA VAL A 67 -1.179 -4.647 -4.860 1.00 0.00 C ATOM 936 C VAL A 67 -0.840 -5.804 -5.802 1.00 0.00 C ATOM 937 O VAL A 67 -1.600 -6.765 -5.908 1.00 0.00 O ATOM 938 CB VAL A 67 -0.824 -4.940 -3.401 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.321 -5.951 -3.308 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.480 -3.652 -2.650 1.00 0.00 C ATOM 0 H VAL A 67 -3.217 -5.132 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.573 -3.793 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.700 -5.381 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.554 -6.142 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.024 -6.883 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.202 -5.550 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.232 -3.889 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.373 -3.170 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.336 -2.978 -2.672 1.00 0.00 H new ATOM 950 N ASN A 68 0.301 -5.672 -6.462 1.00 0.00 N ATOM 951 CA ASN A 68 0.749 -6.695 -7.392 1.00 0.00 C ATOM 952 C ASN A 68 -0.451 -7.223 -8.181 1.00 0.00 C ATOM 953 O ASN A 68 -0.461 -8.378 -8.603 1.00 0.00 O ATOM 954 CB ASN A 68 1.383 -7.873 -6.651 1.00 0.00 C ATOM 955 CG ASN A 68 2.212 -8.738 -7.603 1.00 0.00 C ATOM 956 OD1 ASN A 68 1.961 -8.811 -8.794 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.212 -9.386 -7.013 1.00 0.00 N ATOM 0 H ASN A 68 0.928 -4.873 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 68 1.488 -6.246 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.017 -7.502 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.603 -8.479 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.824 -9.989 -7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.367 -9.280 -6.010 1.00 0.00 H new ATOM 964 N GLY A 69 -1.434 -6.351 -8.355 1.00 0.00 N ATOM 965 CA GLY A 69 -2.636 -6.715 -9.085 1.00 0.00 C ATOM 966 C GLY A 69 -3.571 -7.560 -8.217 1.00 0.00 C ATOM 967 O GLY A 69 -3.945 -8.668 -8.597 1.00 0.00 O ATOM 0 H GLY A 69 -1.422 -5.394 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.154 -5.813 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.366 -7.271 -9.983 1.00 0.00 H new ATOM 971 N VAL A 70 -3.920 -7.004 -7.066 1.00 0.00 N ATOM 972 CA VAL A 70 -4.804 -7.692 -6.140 1.00 0.00 C ATOM 973 C VAL A 70 -5.902 -6.731 -5.681 1.00 0.00 C ATOM 974 O VAL A 70 -5.658 -5.537 -5.514 1.00 0.00 O ATOM 975 CB VAL A 70 -3.995 -8.274 -4.979 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.694 -7.202 -3.929 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.717 -9.468 -4.353 1.00 0.00 C ATOM 0 H VAL A 70 -3.607 -6.085 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.293 -8.533 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.044 -8.629 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.118 -7.642 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.119 -6.396 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.630 -6.803 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.121 -9.863 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.689 -9.149 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.856 -10.244 -5.105 1.00 0.00 H new ATOM 987 N ASN A 71 -7.089 -7.288 -5.490 1.00 0.00 N ATOM 988 CA ASN A 71 -8.226 -6.495 -5.053 1.00 0.00 C ATOM 989 C ASN A 71 -8.257 -6.456 -3.524 1.00 0.00 C ATOM 990 O ASN A 71 -8.541 -7.464 -2.879 1.00 0.00 O ATOM 991 CB ASN A 71 -9.542 -7.106 -5.537 1.00 0.00 C ATOM 992 CG ASN A 71 -10.713 -6.151 -5.294 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.801 -5.077 -5.867 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.604 -6.600 -4.415 1.00 0.00 N ATOM 0 H ASN A 71 -7.288 -8.279 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.119 -5.493 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.471 -7.336 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.722 -8.047 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.422 -6.036 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.470 -7.509 -3.972 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.962 -5.280 -2.987 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.953 -5.096 -1.546 1.00 0.00 C ATOM 1003 C LEU A 72 -8.907 -3.960 -1.175 1.00 0.00 C ATOM 1004 O LEU A 72 -9.061 -3.632 0.000 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.523 -4.889 -1.042 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.485 -5.898 -1.535 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.069 -5.332 -1.412 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.632 -7.236 -0.807 1.00 0.00 C ATOM 0 H LEU A 72 -7.728 -4.446 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.316 -5.993 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.197 -3.891 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.536 -4.914 0.048 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.667 -6.085 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.350 -6.069 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.986 -4.425 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.860 -5.098 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.882 -7.935 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.492 -7.085 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.627 -7.642 -0.989 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.524 -3.389 -2.200 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.459 -2.296 -1.997 1.00 0.00 C ATOM 1022 C ARG A 73 -11.271 -2.523 -0.720 1.00 0.00 C ATOM 1023 O ARG A 73 -11.567 -1.577 0.008 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.415 -2.161 -3.184 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.793 -1.313 -4.295 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.346 -1.712 -5.664 1.00 0.00 C ATOM 1027 NE ARG A 73 -12.477 -0.830 -6.030 1.00 0.00 N ATOM 1028 CZ ARG A 73 -13.417 -1.148 -6.930 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.369 -2.329 -7.561 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -14.406 -0.285 -7.199 1.00 0.00 N ATOM 0 H ARG A 73 -9.394 -3.663 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.880 -1.377 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.662 -3.150 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.349 -1.706 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.997 -0.258 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.710 -1.434 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.561 -1.642 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.676 -2.751 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.545 0.077 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.617 -2.986 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.085 -2.571 -8.246 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.443 0.614 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.122 -0.527 -7.884 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.608 -3.783 -0.487 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.380 -4.146 0.689 1.00 0.00 C ATOM 1046 C ASN A 74 -11.782 -5.406 1.317 1.00 0.00 C ATOM 1047 O ASN A 74 -12.502 -6.359 1.611 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.835 -4.446 0.322 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.623 -3.152 0.107 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -15.475 -2.775 0.895 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.293 -2.496 -1.002 1.00 0.00 N ATOM 0 H ASN A 74 -11.360 -4.565 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.349 -3.307 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.868 -5.051 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.300 -5.032 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.763 -1.621 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.570 -2.868 -1.618 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.471 -5.370 1.505 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.767 -6.498 2.093 1.00 0.00 C ATOM 1060 C ALA A 75 -9.275 -6.114 3.490 1.00 0.00 C ATOM 1061 O ALA A 75 -9.201 -4.932 3.823 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.625 -6.925 1.169 1.00 0.00 C ATOM 0 H ALA A 75 -9.877 -4.577 1.261 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.434 -7.353 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.097 -7.771 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.030 -7.216 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.933 -6.093 1.038 1.00 0.00 H new ATOM 1068 N THR A 76 -8.951 -7.135 4.270 1.00 0.00 N ATOM 1069 CA THR A 76 -8.468 -6.919 5.623 1.00 0.00 C ATOM 1070 C THR A 76 -6.980 -6.564 5.608 1.00 0.00 C ATOM 1071 O THR A 76 -6.301 -6.762 4.601 1.00 0.00 O ATOM 1072 CB THR A 76 -8.786 -8.171 6.443 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.968 -9.183 5.863 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.214 -8.672 6.219 1.00 0.00 C ATOM 0 H THR A 76 -9.014 -8.114 3.991 1.00 0.00 H new ATOM 0 HA THR A 76 -8.967 -6.070 6.091 1.00 0.00 H new ATOM 0 HB THR A 76 -8.639 -7.958 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.110 -10.029 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.387 -9.562 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.922 -7.894 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.353 -8.917 5.166 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.517 -6.046 6.736 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.122 -5.661 6.865 1.00 0.00 C ATOM 1084 C HIS A 77 -4.226 -6.847 6.501 1.00 0.00 C ATOM 1085 O HIS A 77 -3.191 -6.675 5.861 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.837 -5.110 8.263 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.610 -4.234 8.340 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.254 -3.541 9.484 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.660 -3.947 7.405 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -2.139 -2.869 9.236 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.772 -3.122 7.947 1.00 0.00 N ATOM 0 H HIS A 77 -7.083 -5.884 7.569 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.898 -4.854 6.167 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.701 -4.537 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.719 -5.945 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.634 -4.327 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.613 -2.233 9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.951 -2.740 7.477 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.659 -8.026 6.926 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.909 -9.240 6.654 1.00 0.00 C ATOM 1101 C GLU A 78 -3.870 -9.513 5.149 1.00 0.00 C ATOM 1102 O GLU A 78 -2.795 -9.643 4.566 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.500 -10.431 7.412 1.00 0.00 C ATOM 1104 CG GLU A 78 -4.074 -11.754 6.773 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.691 -12.943 7.511 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.813 -12.840 8.751 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -5.026 -13.929 6.820 1.00 0.00 O ATOM 0 H GLU A 78 -5.519 -8.165 7.456 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.887 -9.099 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.173 -10.403 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.588 -10.359 7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.380 -11.772 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.987 -11.836 6.788 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.056 -9.593 4.563 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.170 -9.848 3.137 1.00 0.00 C ATOM 1116 C GLN A 79 -4.348 -8.827 2.347 1.00 0.00 C ATOM 1117 O GLN A 79 -3.706 -9.174 1.357 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.634 -9.834 2.693 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.329 -11.149 3.052 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.778 -11.156 2.561 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.086 -10.758 1.450 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.647 -11.629 3.449 1.00 0.00 N ATOM 0 H GLN A 79 -5.946 -9.486 5.050 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.772 -10.842 2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.154 -9.002 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.690 -9.671 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.787 -11.984 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.307 -11.293 4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.321 -11.946 4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.639 -11.675 3.217 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.394 -7.589 2.815 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.662 -6.515 2.165 1.00 0.00 C ATOM 1133 C ALA A 80 -2.161 -6.737 2.361 1.00 0.00 C ATOM 1134 O ALA A 80 -1.355 -6.323 1.528 1.00 0.00 O ATOM 1135 CB ALA A 80 -4.130 -5.168 2.720 1.00 0.00 C ATOM 0 H ALA A 80 -4.927 -7.305 3.637 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.858 -6.511 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.581 -4.363 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.196 -5.047 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.947 -5.133 3.794 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.830 -7.389 3.466 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.440 -7.670 3.781 1.00 0.00 C ATOM 1143 C ALA A 81 0.021 -8.895 2.987 1.00 0.00 C ATOM 1144 O ALA A 81 1.101 -8.887 2.400 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.288 -7.863 5.291 1.00 0.00 C ATOM 0 H ALA A 81 -2.501 -7.731 4.154 1.00 0.00 H new ATOM 0 HA ALA A 81 0.196 -6.833 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.755 -8.074 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.601 -6.955 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.910 -8.698 5.616 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.822 -9.917 2.996 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.515 -11.146 2.284 1.00 0.00 C ATOM 1153 C ALA A 82 -0.193 -10.818 0.825 1.00 0.00 C ATOM 1154 O ALA A 82 0.507 -11.576 0.155 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.687 -12.120 2.419 1.00 0.00 C ATOM 0 H ALA A 82 -1.717 -9.919 3.485 1.00 0.00 H new ATOM 0 HA ALA A 82 0.362 -11.630 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.457 -13.042 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.855 -12.343 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.585 -11.670 1.996 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.720 -9.689 0.375 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.498 -9.252 -0.992 1.00 0.00 C ATOM 1163 C ALA A 83 0.929 -8.717 -1.127 1.00 0.00 C ATOM 1164 O ALA A 83 1.478 -8.673 -2.227 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.550 -8.208 -1.372 1.00 0.00 C ATOM 0 H ALA A 83 -1.301 -9.063 0.934 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.604 -10.088 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.383 -7.880 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.544 -8.646 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.473 -7.353 -0.701 1.00 0.00 H new ATOM 1171 N LEU A 84 1.489 -8.324 0.008 1.00 0.00 N ATOM 1172 CA LEU A 84 2.842 -7.794 0.030 1.00 0.00 C ATOM 1173 C LEU A 84 3.819 -8.916 0.387 1.00 0.00 C ATOM 1174 O LEU A 84 5.000 -8.845 0.053 1.00 0.00 O ATOM 1175 CB LEU A 84 2.928 -6.585 0.963 1.00 0.00 C ATOM 1176 CG LEU A 84 2.494 -5.245 0.366 1.00 0.00 C ATOM 1177 CD1 LEU A 84 3.033 -5.078 -1.056 1.00 0.00 C ATOM 1178 CD2 LEU A 84 0.973 -5.085 0.424 1.00 0.00 C ATOM 0 H LEU A 84 1.031 -8.362 0.918 1.00 0.00 H new ATOM 0 HA LEU A 84 3.124 -7.427 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.314 -6.785 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.958 -6.490 1.308 1.00 0.00 H new ATOM 0 HG LEU A 84 2.925 -4.447 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.710 -4.117 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.122 -5.116 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.651 -5.881 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.692 -4.124 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.501 -5.888 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.642 -5.128 1.462 1.00 0.00 H new ATOM 1190 N LYS A 85 3.289 -9.927 1.061 1.00 0.00 N ATOM 1191 CA LYS A 85 4.100 -11.062 1.467 1.00 0.00 C ATOM 1192 C LYS A 85 4.128 -12.093 0.336 1.00 0.00 C ATOM 1193 O LYS A 85 5.066 -12.881 0.234 1.00 0.00 O ATOM 1194 CB LYS A 85 3.604 -11.626 2.800 1.00 0.00 C ATOM 1195 CG LYS A 85 4.233 -10.880 3.979 1.00 0.00 C ATOM 1196 CD LYS A 85 3.207 -9.977 4.667 1.00 0.00 C ATOM 1197 CE LYS A 85 3.899 -8.869 5.464 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.954 -9.222 6.900 1.00 0.00 N ATOM 0 H LYS A 85 2.308 -9.983 1.336 1.00 0.00 H new ATOM 0 HA LYS A 85 5.130 -10.751 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.518 -11.545 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.848 -12.686 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.631 -11.597 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.073 -10.281 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.547 -9.535 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.582 -10.572 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.908 -8.714 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.362 -7.930 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.426 -8.460 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.988 -9.347 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.486 -10.107 7.020 1.00 0.00 H new ATOM 1212 N ARG A 86 3.088 -12.054 -0.483 1.00 0.00 N ATOM 1213 CA ARG A 86 2.981 -12.974 -1.602 1.00 0.00 C ATOM 1214 C ARG A 86 3.606 -12.360 -2.857 1.00 0.00 C ATOM 1215 O ARG A 86 3.749 -13.032 -3.877 1.00 0.00 O ATOM 1216 CB ARG A 86 1.521 -13.327 -1.889 1.00 0.00 C ATOM 1217 CG ARG A 86 0.824 -12.200 -2.653 1.00 0.00 C ATOM 1218 CD ARG A 86 0.606 -12.584 -4.118 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.791 -12.298 -4.514 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.394 -12.835 -5.584 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -0.726 -13.688 -6.371 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -2.665 -12.517 -5.866 1.00 0.00 N ATOM 0 H ARG A 86 2.311 -11.399 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 86 3.517 -13.885 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.473 -14.248 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.997 -13.514 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.135 -11.977 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.424 -11.292 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.294 -12.028 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.824 -13.642 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.329 -11.652 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.242 -13.929 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.185 -14.097 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.173 -11.867 -5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.124 -12.925 -6.680 1.00 0.00 H new ATOM 1236 N ALA A 87 3.960 -11.088 -2.740 1.00 0.00 N ATOM 1237 CA ALA A 87 4.566 -10.375 -3.852 1.00 0.00 C ATOM 1238 C ALA A 87 6.001 -10.869 -4.048 1.00 0.00 C ATOM 1239 O ALA A 87 6.283 -12.053 -3.869 1.00 0.00 O ATOM 1240 CB ALA A 87 4.498 -8.869 -3.590 1.00 0.00 C ATOM 0 H ALA A 87 3.839 -10.533 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 87 4.022 -10.570 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.952 -8.334 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.457 -8.564 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.037 -8.635 -2.672 1.00 0.00 H new ATOM 1246 N GLY A 88 6.868 -9.937 -4.415 1.00 0.00 N ATOM 1247 CA GLY A 88 8.267 -10.263 -4.637 1.00 0.00 C ATOM 1248 C GLY A 88 9.123 -8.997 -4.689 1.00 0.00 C ATOM 1249 O GLY A 88 8.761 -7.974 -4.110 1.00 0.00 O ATOM 0 H GLY A 88 6.629 -8.957 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.623 -10.915 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.372 -10.816 -5.571 1.00 0.00 H new ATOM 1253 N GLN A 89 10.244 -9.106 -5.388 1.00 0.00 N ATOM 1254 CA GLN A 89 11.155 -7.983 -5.522 1.00 0.00 C ATOM 1255 C GLN A 89 10.441 -6.795 -6.171 1.00 0.00 C ATOM 1256 O GLN A 89 10.471 -5.684 -5.643 1.00 0.00 O ATOM 1257 CB GLN A 89 12.398 -8.378 -6.322 1.00 0.00 C ATOM 1258 CG GLN A 89 13.429 -9.068 -5.426 1.00 0.00 C ATOM 1259 CD GLN A 89 14.779 -8.351 -5.491 1.00 0.00 C ATOM 1260 OE1 GLN A 89 14.882 -7.149 -5.311 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.806 -9.153 -5.757 1.00 0.00 N ATOM 0 H GLN A 89 10.541 -9.956 -5.868 1.00 0.00 H new ATOM 0 HA GLN A 89 11.483 -7.686 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.114 -9.045 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.840 -7.491 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.070 -9.082 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.549 -10.106 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.651 -10.151 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.749 -8.770 -5.821 1.00 0.00 H new ATOM 1270 N SER A 90 9.815 -7.070 -7.306 1.00 0.00 N ATOM 1271 CA SER A 90 9.094 -6.038 -8.032 1.00 0.00 C ATOM 1272 C SER A 90 7.595 -6.148 -7.747 1.00 0.00 C ATOM 1273 O SER A 90 6.904 -6.972 -8.344 1.00 0.00 O ATOM 1274 CB SER A 90 9.357 -6.137 -9.536 1.00 0.00 C ATOM 1275 OG SER A 90 10.261 -7.192 -9.851 1.00 0.00 O ATOM 0 H SER A 90 9.792 -7.992 -7.741 1.00 0.00 H new ATOM 0 HA SER A 90 9.452 -5.066 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.414 -6.299 -10.059 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.763 -5.192 -9.896 1.00 0.00 H new ATOM 0 HG SER A 90 10.402 -7.224 -10.820 1.00 0.00 H new ATOM 1281 N VAL A 91 7.135 -5.304 -6.834 1.00 0.00 N ATOM 1282 CA VAL A 91 5.731 -5.296 -6.463 1.00 0.00 C ATOM 1283 C VAL A 91 5.070 -4.030 -7.013 1.00 0.00 C ATOM 1284 O VAL A 91 5.646 -2.946 -6.948 1.00 0.00 O ATOM 1285 CB VAL A 91 5.590 -5.433 -4.945 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.148 -5.764 -4.556 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.561 -6.480 -4.397 1.00 0.00 C ATOM 0 H VAL A 91 7.710 -4.621 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 91 5.215 -6.150 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 91 5.845 -4.473 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.075 -5.856 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.487 -4.967 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.853 -6.705 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.440 -6.558 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.351 -7.446 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.584 -6.183 -4.627 1.00 0.00 H new ATOM 1297 N THR A 92 3.868 -4.211 -7.542 1.00 0.00 N ATOM 1298 CA THR A 92 3.123 -3.097 -8.103 1.00 0.00 C ATOM 1299 C THR A 92 1.997 -2.677 -7.155 1.00 0.00 C ATOM 1300 O THR A 92 0.946 -3.314 -7.114 1.00 0.00 O ATOM 1301 CB THR A 92 2.627 -3.511 -9.490 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.820 -3.685 -10.248 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.890 -2.379 -10.210 1.00 0.00 C ATOM 0 H THR A 92 3.392 -5.112 -7.594 1.00 0.00 H new ATOM 0 HA THR A 92 3.755 -2.216 -8.217 1.00 0.00 H new ATOM 0 HB THR A 92 1.966 -4.373 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.591 -3.956 -11.161 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.559 -2.725 -11.189 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.025 -2.076 -9.621 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.561 -1.529 -10.333 1.00 0.00 H new ATOM 1311 N ILE A 93 2.257 -1.608 -6.417 1.00 0.00 N ATOM 1312 CA ILE A 93 1.279 -1.096 -5.472 1.00 0.00 C ATOM 1313 C ILE A 93 0.533 0.081 -6.104 1.00 0.00 C ATOM 1314 O ILE A 93 1.106 1.152 -6.296 1.00 0.00 O ATOM 1315 CB ILE A 93 1.949 -0.755 -4.139 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.549 -2.005 -3.492 1.00 0.00 C ATOM 1317 CG2 ILE A 93 0.974 -0.036 -3.204 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.005 -2.199 -3.920 1.00 0.00 C ATOM 0 H ILE A 93 3.130 -1.082 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 93 0.535 -1.859 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 93 2.772 -0.068 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.494 -1.919 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.964 -2.881 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.475 0.195 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.636 0.889 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.116 -0.679 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.407 -3.094 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.054 -2.309 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.592 -1.332 -3.616 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.734 -0.159 -6.410 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.564 0.868 -7.017 1.00 0.00 C ATOM 1332 C VAL A 94 -2.390 1.558 -5.930 1.00 0.00 C ATOM 1333 O VAL A 94 -3.405 1.025 -5.484 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.424 0.258 -8.125 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.226 1.338 -8.854 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.567 -0.545 -9.106 1.00 0.00 C ATOM 0 H VAL A 94 -1.206 -1.049 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.945 1.631 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.132 -0.428 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.829 0.877 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.879 1.847 -8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.542 2.060 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.203 -0.968 -9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.824 0.110 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.062 -1.350 -8.573 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.925 2.734 -5.534 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.608 3.502 -4.508 1.00 0.00 C ATOM 1348 C ALA A 95 -2.871 4.917 -5.026 1.00 0.00 C ATOM 1349 O ALA A 95 -2.131 5.420 -5.871 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.774 3.496 -3.225 1.00 0.00 C ATOM 0 H ALA A 95 -1.083 3.173 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.573 3.053 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.287 4.072 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.641 2.470 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.799 3.941 -3.423 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.926 5.520 -4.498 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.295 6.868 -4.897 1.00 0.00 C ATOM 1358 C GLN A 96 -4.062 7.845 -3.743 1.00 0.00 C ATOM 1359 O GLN A 96 -4.490 7.595 -2.617 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.747 6.919 -5.375 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.712 6.997 -4.190 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.158 7.138 -4.670 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.903 8.001 -4.234 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.513 6.245 -5.589 1.00 0.00 N ATOM 0 H GLN A 96 -4.537 5.100 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.662 7.166 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.890 7.784 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.969 6.034 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.614 6.101 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.450 7.846 -3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.840 5.549 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.458 6.256 -5.972 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.386 8.939 -4.063 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.092 9.955 -3.067 1.00 0.00 C ATOM 1375 C TYR A 97 -4.379 10.555 -2.499 1.00 0.00 C ATOM 1376 O TYR A 97 -4.968 11.452 -3.099 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.313 11.050 -3.800 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.281 11.768 -2.929 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.525 11.958 -1.584 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.105 12.225 -3.488 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.552 12.634 -0.764 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.868 12.901 -2.668 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.596 13.072 -1.347 1.00 0.00 C ATOM 1384 OH TYR A 97 1.514 13.710 -0.572 1.00 0.00 O ATOM 0 H TYR A 97 -3.034 9.144 -4.998 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.531 9.527 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.805 10.608 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.018 11.784 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.445 11.600 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.086 12.076 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.730 12.789 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.792 13.264 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 97 2.284 13.966 -1.121 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.779 10.034 -1.348 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.986 10.507 -0.691 1.00 0.00 C ATOM 1396 C ARG A 98 -5.725 10.735 0.799 1.00 0.00 C ATOM 1397 O ARG A 98 -6.028 9.875 1.625 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.130 9.504 -0.854 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.488 10.196 -0.722 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.427 9.781 -1.857 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.747 10.430 -1.684 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.033 11.671 -2.098 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.096 12.407 -2.710 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.258 12.178 -1.898 1.00 0.00 N ATOM 0 H ARG A 98 -4.289 9.289 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.273 11.448 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.058 9.019 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.042 8.721 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.938 9.942 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.352 11.277 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.997 10.063 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.544 8.697 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.484 9.899 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.163 12.022 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.315 13.352 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.971 11.619 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.476 13.123 -2.213 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.151 11.929 1.106 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.846 12.281 2.482 1.00 0.00 C ATOM 1420 C PRO A 99 -6.117 12.656 3.247 1.00 0.00 C ATOM 1421 O PRO A 99 -6.134 12.638 4.476 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.851 13.426 2.384 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.990 13.979 0.975 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.778 12.971 0.154 1.00 0.00 C ATOM 0 HA PRO A 99 -4.421 11.450 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.064 14.194 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.835 13.077 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.502 14.941 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.008 14.148 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.658 13.429 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.177 12.567 -0.660 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.150 12.988 2.486 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.422 13.367 3.077 1.00 0.00 C ATOM 1434 C GLU A 100 -9.012 12.196 3.865 1.00 0.00 C ATOM 1435 O GLU A 100 -9.492 12.375 4.984 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.400 13.854 2.006 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.283 14.983 2.542 1.00 0.00 C ATOM 1438 CD GLU A 100 -11.127 15.598 1.423 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.512 16.184 0.506 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.367 15.468 1.511 1.00 0.00 O ATOM 0 H GLU A 100 -7.132 13.002 1.466 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.248 14.193 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.846 14.203 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.025 13.025 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.936 14.598 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.659 15.753 2.997 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.957 11.023 3.251 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.479 9.823 3.882 1.00 0.00 C ATOM 1449 C GLU A 101 -8.568 9.388 5.031 1.00 0.00 C ATOM 1450 O GLU A 101 -9.009 9.290 6.175 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.649 8.697 2.860 1.00 0.00 C ATOM 1452 CG GLU A 101 -11.020 8.773 2.184 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.915 7.614 2.628 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.834 7.260 3.824 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.661 7.109 1.761 1.00 0.00 O ATOM 0 H GLU A 101 -8.559 10.878 2.323 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.463 10.050 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.864 8.763 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.536 7.732 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.498 9.721 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.897 8.748 1.101 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.313 9.137 4.687 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.336 8.714 5.676 1.00 0.00 C ATOM 1464 C TYR A 102 -6.471 9.530 6.963 1.00 0.00 C ATOM 1465 O TYR A 102 -6.244 9.013 8.056 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.964 8.985 5.056 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.788 8.659 5.979 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.512 7.347 6.306 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -3.004 9.676 6.483 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.406 7.039 7.175 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.897 9.368 7.352 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.653 8.065 7.655 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.608 7.774 8.475 1.00 0.00 O ATOM 0 H TYR A 102 -6.950 9.219 3.737 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.479 7.664 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.868 8.399 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.907 10.035 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.126 6.551 5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.220 10.703 6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.180 6.017 7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.275 10.154 7.754 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.011 7.137 8.030 1.00 0.00 H new ATOM 1483 N SER A 103 -6.839 10.791 6.791 1.00 0.00 N ATOM 1484 CA SER A 103 -7.007 11.683 7.926 1.00 0.00 C ATOM 1485 C SER A 103 -7.905 11.028 8.978 1.00 0.00 C ATOM 1486 O SER A 103 -7.791 11.324 10.167 1.00 0.00 O ATOM 1487 CB SER A 103 -7.594 13.026 7.488 1.00 0.00 C ATOM 1488 OG SER A 103 -7.274 14.072 8.402 1.00 0.00 O ATOM 0 H SER A 103 -7.026 11.216 5.883 1.00 0.00 H new ATOM 0 HA SER A 103 -6.026 11.871 8.362 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.216 13.281 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.677 12.938 7.403 1.00 0.00 H new ATOM 0 HG SER A 103 -7.665 14.913 8.086 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.777 10.152 8.502 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.694 9.454 9.387 1.00 0.00 C ATOM 1496 C ARG A 104 -8.919 8.552 10.350 1.00 0.00 C ATOM 1497 O ARG A 104 -9.369 8.298 11.467 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.687 8.604 8.592 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.992 7.397 7.959 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.472 7.179 6.522 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.447 6.067 6.477 1.00 0.00 N ATOM 1502 CZ ARG A 104 -12.757 6.206 6.723 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.256 7.410 7.033 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -13.567 5.141 6.659 1.00 0.00 N ATOM 0 H ARG A 104 -8.868 9.910 7.515 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.246 10.205 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.488 8.264 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.150 9.211 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.913 7.549 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.192 6.505 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.931 8.091 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.623 6.955 5.876 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.100 5.136 6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.639 8.221 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.253 7.516 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.187 4.224 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.564 5.247 6.846 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.768 8.093 9.883 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.926 7.225 10.689 1.00 0.00 C ATOM 1520 C PHE A 105 -6.000 8.043 11.591 1.00 0.00 C ATOM 1521 O PHE A 105 -5.779 7.686 12.748 1.00 0.00 O ATOM 1522 CB PHE A 105 -6.077 6.400 9.720 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.788 5.163 9.167 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.784 4.002 9.875 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.425 5.226 7.967 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.444 2.855 9.362 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -8.086 4.078 7.454 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.081 2.917 8.162 1.00 0.00 C ATOM 0 H PHE A 105 -7.398 8.306 8.956 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.545 6.594 11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.774 7.035 8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.166 6.086 10.229 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.278 3.953 10.828 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.428 6.148 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.440 1.933 9.925 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.593 4.127 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.583 2.044 7.771 1.00 0.00 H new