USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 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 : no HE2:sc= -0.206 X(o=-0.21,f=-0.37) 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 180:sc= -0.2 USER MOD Single : A 31 ASN : amide:sc= 0.186 K(o=0.19,f=-3.8!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.582 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.108 USER MOD Single : A 68 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.3!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 74 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.8) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 77 HIS : no HE2:sc= -3.24 K(o=-3.2,f=-4.9!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.542 F(o=-1.3,f=-0.54) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.815 USER MOD Single : A 96 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 102 TYR OH : rot -110:sc= -3.33! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -7.055 9.198 -8.871 1.00 0.00 N ATOM 165 CA GLU A 15 -7.215 7.767 -9.065 1.00 0.00 C ATOM 166 C GLU A 15 -5.974 7.022 -8.570 1.00 0.00 C ATOM 167 O GLU A 15 -4.974 7.643 -8.212 1.00 0.00 O ATOM 168 CB GLU A 15 -7.503 7.442 -10.532 1.00 0.00 C ATOM 169 CG GLU A 15 -8.952 6.990 -10.720 1.00 0.00 C ATOM 170 CD GLU A 15 -9.147 6.323 -12.083 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.449 6.750 -13.028 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.989 5.402 -12.149 1.00 0.00 O ATOM 0 HA GLU A 15 -8.071 7.434 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.310 8.321 -11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.827 6.658 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.225 6.293 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.618 7.848 -10.633 1.00 0.00 H new ATOM 179 N PRO A 16 -6.081 5.666 -8.567 1.00 0.00 N ATOM 180 CA PRO A 16 -4.979 4.830 -8.123 1.00 0.00 C ATOM 181 C PRO A 16 -3.872 4.775 -9.178 1.00 0.00 C ATOM 182 O PRO A 16 -4.071 4.230 -10.263 1.00 0.00 O ATOM 183 CB PRO A 16 -5.603 3.472 -7.845 1.00 0.00 C ATOM 184 CG PRO A 16 -6.932 3.466 -8.582 1.00 0.00 C ATOM 185 CD PRO A 16 -7.249 4.897 -8.984 1.00 0.00 C ATOM 0 HA PRO A 16 -4.489 5.219 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.958 2.666 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.749 3.321 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.877 2.826 -9.462 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.720 3.065 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.414 4.979 -10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.154 5.255 -8.494 1.00 0.00 H new ATOM 193 N ARG A 17 -2.731 5.346 -8.823 1.00 0.00 N ATOM 194 CA ARG A 17 -1.593 5.369 -9.726 1.00 0.00 C ATOM 195 C ARG A 17 -0.817 4.053 -9.636 1.00 0.00 C ATOM 196 O ARG A 17 -1.134 3.198 -8.811 1.00 0.00 O ATOM 197 CB ARG A 17 -0.652 6.531 -9.397 1.00 0.00 C ATOM 198 CG ARG A 17 -0.469 6.677 -7.886 1.00 0.00 C ATOM 199 CD ARG A 17 0.994 6.959 -7.536 1.00 0.00 C ATOM 200 NE ARG A 17 1.467 8.156 -8.267 1.00 0.00 N ATOM 201 CZ ARG A 17 1.065 9.406 -8.001 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.180 9.632 -7.020 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.548 10.432 -8.716 1.00 0.00 N ATOM 0 H ARG A 17 -2.570 5.796 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.976 5.501 -10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.316 6.365 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.053 7.457 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.098 7.487 -7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.797 5.765 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.096 7.114 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.611 6.098 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 17 2.141 8.021 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.188 8.852 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.126 10.584 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.222 10.261 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.242 11.384 -8.513 1.00 0.00 H new ATOM 217 N LYS A 18 0.183 3.933 -10.496 1.00 0.00 N ATOM 218 CA LYS A 18 1.006 2.735 -10.524 1.00 0.00 C ATOM 219 C LYS A 18 2.332 3.017 -9.815 1.00 0.00 C ATOM 220 O LYS A 18 3.012 3.993 -10.128 1.00 0.00 O ATOM 221 CB LYS A 18 1.170 2.232 -11.960 1.00 0.00 C ATOM 222 CG LYS A 18 2.025 0.964 -12.001 1.00 0.00 C ATOM 223 CD LYS A 18 2.021 0.345 -13.401 1.00 0.00 C ATOM 224 CE LYS A 18 0.997 -0.787 -13.497 1.00 0.00 C ATOM 225 NZ LYS A 18 0.072 -0.555 -14.629 1.00 0.00 N ATOM 0 H LYS A 18 0.442 4.645 -11.179 1.00 0.00 H new ATOM 0 HA LYS A 18 0.520 1.925 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.190 2.029 -12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.633 3.007 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.048 1.201 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.645 0.241 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.791 1.112 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.014 -0.037 -13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.510 -1.739 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.433 -0.855 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.617 -1.333 -14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.431 0.344 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.613 -0.513 -15.516 1.00 0.00 H new ATOM 239 N ILE A 19 2.660 2.144 -8.874 1.00 0.00 N ATOM 240 CA ILE A 19 3.892 2.286 -8.118 1.00 0.00 C ATOM 241 C ILE A 19 4.607 0.935 -8.058 1.00 0.00 C ATOM 242 O ILE A 19 4.126 0.002 -7.417 1.00 0.00 O ATOM 243 CB ILE A 19 3.610 2.894 -6.743 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.903 4.245 -6.875 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.893 2.997 -5.915 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.791 4.385 -5.834 1.00 0.00 C ATOM 0 H ILE A 19 2.093 1.335 -8.618 1.00 0.00 H new ATOM 0 HA ILE A 19 4.566 2.982 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 19 2.934 2.228 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.626 5.051 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.484 4.344 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.664 3.432 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.318 2.003 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.612 3.629 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.305 5.354 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.058 3.591 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.217 4.310 -4.834 1.00 0.00 H new ATOM 258 N ILE A 20 5.745 0.872 -8.734 1.00 0.00 N ATOM 259 CA ILE A 20 6.531 -0.349 -8.766 1.00 0.00 C ATOM 260 C ILE A 20 7.690 -0.231 -7.774 1.00 0.00 C ATOM 261 O ILE A 20 8.713 0.379 -8.079 1.00 0.00 O ATOM 262 CB ILE A 20 6.975 -0.664 -10.195 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.870 -1.387 -10.967 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.288 -1.450 -10.201 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.760 -0.855 -12.397 1.00 0.00 C ATOM 0 H ILE A 20 6.141 1.648 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 20 5.926 -1.199 -8.451 1.00 0.00 H new ATOM 0 HB ILE A 20 7.162 0.279 -10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.077 -2.457 -10.988 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.918 -1.257 -10.453 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.581 -1.661 -11.229 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.066 -0.862 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.153 -2.388 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.967 -1.387 -12.923 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.529 0.210 -12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.706 -1.009 -12.916 1.00 0.00 H new ATOM 277 N LEU A 21 7.490 -0.823 -6.606 1.00 0.00 N ATOM 278 CA LEU A 21 8.506 -0.792 -5.567 1.00 0.00 C ATOM 279 C LEU A 21 9.346 -2.068 -5.642 1.00 0.00 C ATOM 280 O LEU A 21 8.812 -3.155 -5.858 1.00 0.00 O ATOM 281 CB LEU A 21 7.864 -0.557 -4.198 1.00 0.00 C ATOM 282 CG LEU A 21 7.056 0.733 -4.048 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.542 0.895 -2.616 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.868 1.946 -4.506 1.00 0.00 C ATOM 0 H LEU A 21 6.639 -1.327 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 21 9.186 0.046 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.209 -1.400 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.652 -0.558 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 21 6.183 0.666 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.971 1.820 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.902 0.050 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.387 0.930 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.270 2.850 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.772 2.028 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.142 1.826 -5.554 1.00 0.00 H new ATOM 296 N HIS A 22 10.646 -1.894 -5.460 1.00 0.00 N ATOM 297 CA HIS A 22 11.566 -3.019 -5.504 1.00 0.00 C ATOM 298 C HIS A 22 11.980 -3.399 -4.081 1.00 0.00 C ATOM 299 O HIS A 22 12.811 -2.728 -3.472 1.00 0.00 O ATOM 300 CB HIS A 22 12.761 -2.708 -6.407 1.00 0.00 C ATOM 301 CG HIS A 22 12.414 -2.610 -7.873 1.00 0.00 C ATOM 302 ND1 HIS A 22 13.254 -3.067 -8.874 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.312 -2.104 -8.496 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.673 -2.840 -10.043 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.470 -2.243 -9.807 1.00 0.00 N ATOM 0 H HIS A 22 11.085 -0.991 -5.282 1.00 0.00 H new ATOM 0 HA HIS A 22 11.069 -3.884 -5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.210 -1.768 -6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.515 -3.483 -6.274 1.00 0.00 H new ATOM 0 HD1 HIS A 22 14.165 -3.504 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.456 -1.665 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.081 -3.085 -11.013 1.00 0.00 H new ATOM 313 N LYS A 23 11.381 -4.475 -3.593 1.00 0.00 N ATOM 314 CA LYS A 23 11.677 -4.954 -2.253 1.00 0.00 C ATOM 315 C LYS A 23 13.176 -4.805 -1.983 1.00 0.00 C ATOM 316 O LYS A 23 13.990 -5.514 -2.573 1.00 0.00 O ATOM 317 CB LYS A 23 11.158 -6.381 -2.066 1.00 0.00 C ATOM 318 CG LYS A 23 9.793 -6.381 -1.375 1.00 0.00 C ATOM 319 CD LYS A 23 9.626 -7.619 -0.491 1.00 0.00 C ATOM 320 CE LYS A 23 8.506 -8.519 -1.015 1.00 0.00 C ATOM 321 NZ LYS A 23 8.779 -9.935 -0.678 1.00 0.00 N ATOM 0 H LYS A 23 10.692 -5.029 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 23 11.156 -4.351 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.079 -6.873 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.870 -6.956 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.688 -5.481 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.002 -6.355 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.562 -8.177 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.403 -7.313 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.553 -8.213 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.417 -8.407 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.009 -10.533 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.678 -10.228 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.842 -10.040 0.355 1.00 0.00 H new ATOM 335 N GLY A 24 13.495 -3.878 -1.092 1.00 0.00 N ATOM 336 CA GLY A 24 14.881 -3.627 -0.736 1.00 0.00 C ATOM 337 C GLY A 24 15.440 -4.760 0.127 1.00 0.00 C ATOM 338 O GLY A 24 16.438 -5.384 -0.230 1.00 0.00 O ATOM 0 H GLY A 24 12.817 -3.291 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.480 -3.525 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.956 -2.683 -0.196 1.00 0.00 H new ATOM 342 N SER A 25 14.771 -4.992 1.248 1.00 0.00 N ATOM 343 CA SER A 25 15.188 -6.039 2.165 1.00 0.00 C ATOM 344 C SER A 25 14.096 -6.287 3.207 1.00 0.00 C ATOM 345 O SER A 25 13.601 -7.406 3.339 1.00 0.00 O ATOM 346 CB SER A 25 16.505 -5.675 2.853 1.00 0.00 C ATOM 347 OG SER A 25 17.371 -6.800 2.976 1.00 0.00 O ATOM 0 H SER A 25 13.944 -4.473 1.541 1.00 0.00 H new ATOM 0 HA SER A 25 15.349 -6.952 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.007 -4.892 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.297 -5.268 3.842 1.00 0.00 H new ATOM 0 HG SER A 25 18.202 -6.527 3.419 1.00 0.00 H new ATOM 353 N THR A 26 13.751 -5.225 3.921 1.00 0.00 N ATOM 354 CA THR A 26 12.726 -5.314 4.947 1.00 0.00 C ATOM 355 C THR A 26 11.342 -5.449 4.308 1.00 0.00 C ATOM 356 O THR A 26 10.569 -6.333 4.674 1.00 0.00 O ATOM 357 CB THR A 26 12.859 -4.090 5.855 1.00 0.00 C ATOM 358 OG1 THR A 26 12.703 -2.983 4.972 1.00 0.00 O ATOM 359 CG2 THR A 26 14.275 -3.926 6.412 1.00 0.00 C ATOM 0 H THR A 26 14.163 -4.299 3.809 1.00 0.00 H new ATOM 0 HA THR A 26 12.855 -6.207 5.559 1.00 0.00 H new ATOM 0 HB THR A 26 12.151 -4.172 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.774 -2.147 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.315 -3.043 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.541 -4.807 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.979 -3.811 5.588 1.00 0.00 H new ATOM 367 N GLY A 27 11.071 -4.559 3.365 1.00 0.00 N ATOM 368 CA GLY A 27 9.794 -4.567 2.672 1.00 0.00 C ATOM 369 C GLY A 27 9.791 -3.565 1.516 1.00 0.00 C ATOM 370 O GLY A 27 10.816 -3.356 0.868 1.00 0.00 O ATOM 0 H GLY A 27 11.714 -3.827 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.589 -5.568 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.995 -4.323 3.372 1.00 0.00 H new ATOM 374 N LEU A 28 8.628 -2.973 1.291 1.00 0.00 N ATOM 375 CA LEU A 28 8.478 -1.998 0.224 1.00 0.00 C ATOM 376 C LEU A 28 8.861 -0.612 0.747 1.00 0.00 C ATOM 377 O LEU A 28 8.969 0.339 -0.025 1.00 0.00 O ATOM 378 CB LEU A 28 7.068 -2.064 -0.367 1.00 0.00 C ATOM 379 CG LEU A 28 6.796 -3.226 -1.324 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.972 -3.436 -2.281 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.450 -4.501 -0.554 1.00 0.00 C ATOM 0 H LEU A 28 7.780 -3.150 1.830 1.00 0.00 H new ATOM 0 HA LEU A 28 9.155 -2.227 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.354 -2.121 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.873 -1.131 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 28 5.928 -2.971 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.752 -4.268 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.130 -2.531 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.872 -3.659 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.261 -5.311 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.283 -4.771 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.559 -4.331 0.050 1.00 0.00 H new ATOM 393 N GLY A 29 9.056 -0.542 2.056 1.00 0.00 N ATOM 394 CA GLY A 29 9.425 0.712 2.691 1.00 0.00 C ATOM 395 C GLY A 29 8.191 1.575 2.958 1.00 0.00 C ATOM 396 O GLY A 29 8.215 2.785 2.736 1.00 0.00 O ATOM 0 H GLY A 29 8.965 -1.333 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.942 0.510 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.122 1.255 2.053 1.00 0.00 H new ATOM 400 N PHE A 30 7.140 0.920 3.430 1.00 0.00 N ATOM 401 CA PHE A 30 5.899 1.613 3.729 1.00 0.00 C ATOM 402 C PHE A 30 4.942 0.712 4.513 1.00 0.00 C ATOM 403 O PHE A 30 4.948 -0.506 4.338 1.00 0.00 O ATOM 404 CB PHE A 30 5.255 1.977 2.390 1.00 0.00 C ATOM 405 CG PHE A 30 4.576 0.800 1.686 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.447 0.254 2.211 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.102 0.301 0.535 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.817 -0.838 1.558 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.472 -0.791 -0.118 1.00 0.00 C ATOM 410 CZ PHE A 30 3.342 -1.338 0.407 1.00 0.00 C ATOM 0 H PHE A 30 7.123 -0.083 3.613 1.00 0.00 H new ATOM 0 HA PHE A 30 6.104 2.495 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.518 2.763 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.019 2.390 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.029 0.651 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.999 0.735 0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.920 -1.272 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.890 -1.188 -1.032 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.862 -2.168 -0.090 1.00 0.00 H new ATOM 420 N ASN A 31 4.144 1.345 5.360 1.00 0.00 N ATOM 421 CA ASN A 31 3.184 0.615 6.170 1.00 0.00 C ATOM 422 C ASN A 31 1.793 0.744 5.546 1.00 0.00 C ATOM 423 O ASN A 31 1.611 1.474 4.573 1.00 0.00 O ATOM 424 CB ASN A 31 3.119 1.181 7.590 1.00 0.00 C ATOM 425 CG ASN A 31 3.127 0.058 8.629 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.411 -0.925 8.524 1.00 0.00 O ATOM 427 ND2 ASN A 31 3.972 0.257 9.636 1.00 0.00 N ATOM 0 H ASN A 31 4.143 2.355 5.503 1.00 0.00 H new ATOM 0 HA ASN A 31 3.501 -0.427 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.967 1.844 7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.216 1.781 7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.049 -0.435 10.381 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.543 1.102 9.663 1.00 0.00 H new ATOM 434 N ILE A 32 0.847 0.024 6.132 1.00 0.00 N ATOM 435 CA ILE A 32 -0.522 0.049 5.646 1.00 0.00 C ATOM 436 C ILE A 32 -1.482 0.002 6.836 1.00 0.00 C ATOM 437 O ILE A 32 -1.144 -0.534 7.890 1.00 0.00 O ATOM 438 CB ILE A 32 -0.749 -1.070 4.627 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.377 -2.432 5.218 1.00 0.00 C ATOM 440 CG2 ILE A 32 0.001 -0.786 3.324 1.00 0.00 C ATOM 441 CD1 ILE A 32 -1.230 -3.545 4.607 1.00 0.00 C ATOM 0 H ILE A 32 1.002 -0.580 6.939 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.721 0.979 5.113 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.811 -1.102 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.678 -2.636 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.516 -2.414 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.177 -1.597 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.354 0.152 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.069 -0.711 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.946 -4.502 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.283 -3.351 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.070 -3.576 3.529 1.00 0.00 H new ATOM 453 N VAL A 33 -2.661 0.571 6.627 1.00 0.00 N ATOM 454 CA VAL A 33 -3.672 0.601 7.669 1.00 0.00 C ATOM 455 C VAL A 33 -5.044 0.322 7.051 1.00 0.00 C ATOM 456 O VAL A 33 -5.215 0.430 5.837 1.00 0.00 O ATOM 457 CB VAL A 33 -3.614 1.934 8.418 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.177 2.454 8.499 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.536 2.968 7.768 1.00 0.00 C ATOM 0 H VAL A 33 -2.938 1.015 5.751 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.482 -0.179 8.406 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.967 1.764 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.163 3.402 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.557 1.729 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.786 2.601 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.476 3.906 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.227 3.133 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.563 2.602 7.785 1.00 0.00 H new ATOM 469 N GLY A 34 -5.986 -0.030 7.913 1.00 0.00 N ATOM 470 CA GLY A 34 -7.337 -0.325 7.467 1.00 0.00 C ATOM 471 C GLY A 34 -7.765 -1.728 7.904 1.00 0.00 C ATOM 472 O GLY A 34 -7.341 -2.211 8.952 1.00 0.00 O ATOM 0 H GLY A 34 -5.840 -0.118 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.028 0.413 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.391 -0.246 6.381 1.00 0.00 H new ATOM 476 N GLY A 35 -8.599 -2.341 7.077 1.00 0.00 N ATOM 477 CA GLY A 35 -9.089 -3.679 7.365 1.00 0.00 C ATOM 478 C GLY A 35 -10.279 -3.632 8.326 1.00 0.00 C ATOM 479 O GLY A 35 -10.403 -4.480 9.208 1.00 0.00 O ATOM 0 H GLY A 35 -8.948 -1.937 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.385 -4.169 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.289 -4.277 7.800 1.00 0.00 H new ATOM 483 N GLU A 36 -11.124 -2.632 8.123 1.00 0.00 N ATOM 484 CA GLU A 36 -12.299 -2.463 8.960 1.00 0.00 C ATOM 485 C GLU A 36 -13.536 -2.214 8.095 1.00 0.00 C ATOM 486 O GLU A 36 -13.583 -1.246 7.336 1.00 0.00 O ATOM 487 CB GLU A 36 -12.097 -1.329 9.967 1.00 0.00 C ATOM 488 CG GLU A 36 -10.918 -1.624 10.897 1.00 0.00 C ATOM 489 CD GLU A 36 -11.307 -1.407 12.361 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.378 -1.922 12.746 1.00 0.00 O ATOM 491 OE2 GLU A 36 -10.523 -0.731 13.061 1.00 0.00 O ATOM 0 H GLU A 36 -11.018 -1.930 7.390 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.454 -3.383 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.921 -0.394 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.004 -1.195 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.586 -2.652 10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.078 -0.979 10.641 1.00 0.00 H new ATOM 498 N ASP A 37 -14.508 -3.103 8.237 1.00 0.00 N ATOM 499 CA ASP A 37 -15.741 -2.992 7.478 1.00 0.00 C ATOM 500 C ASP A 37 -15.409 -2.705 6.012 1.00 0.00 C ATOM 501 O ASP A 37 -16.200 -2.087 5.302 1.00 0.00 O ATOM 502 CB ASP A 37 -16.607 -1.843 8.000 1.00 0.00 C ATOM 503 CG ASP A 37 -18.116 -2.049 7.846 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.491 -2.866 6.978 1.00 0.00 O ATOM 505 OD2 ASP A 37 -18.859 -1.385 8.601 1.00 0.00 O ATOM 0 H ASP A 37 -14.466 -3.904 8.867 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.286 -3.931 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.382 -1.689 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.325 -0.929 7.477 1.00 0.00 H new ATOM 510 N GLY A 38 -14.237 -3.168 5.603 1.00 0.00 N ATOM 511 CA GLY A 38 -13.791 -2.970 4.235 1.00 0.00 C ATOM 512 C GLY A 38 -13.834 -1.489 3.853 1.00 0.00 C ATOM 513 O GLY A 38 -14.312 -1.135 2.777 1.00 0.00 O ATOM 0 H GLY A 38 -13.583 -3.680 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.775 -3.349 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.423 -3.543 3.556 1.00 0.00 H new ATOM 517 N GLU A 39 -13.328 -0.663 4.757 1.00 0.00 N ATOM 518 CA GLU A 39 -13.303 0.772 4.529 1.00 0.00 C ATOM 519 C GLU A 39 -12.252 1.124 3.474 1.00 0.00 C ATOM 520 O GLU A 39 -12.429 2.069 2.708 1.00 0.00 O ATOM 521 CB GLU A 39 -13.046 1.530 5.833 1.00 0.00 C ATOM 522 CG GLU A 39 -11.582 1.409 6.258 1.00 0.00 C ATOM 523 CD GLU A 39 -11.462 1.271 7.777 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.469 1.567 8.456 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.365 0.872 8.226 1.00 0.00 O ATOM 0 H GLU A 39 -12.932 -0.960 5.649 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.280 1.078 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.305 2.581 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.690 1.137 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.129 0.544 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.029 2.287 5.924 1.00 0.00 H new ATOM 532 N GLY A 40 -11.181 0.343 3.469 1.00 0.00 N ATOM 533 CA GLY A 40 -10.102 0.560 2.521 1.00 0.00 C ATOM 534 C GLY A 40 -8.742 0.520 3.220 1.00 0.00 C ATOM 535 O GLY A 40 -8.660 0.682 4.437 1.00 0.00 O ATOM 0 H GLY A 40 -11.038 -0.440 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.138 -0.203 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.234 1.524 2.029 1.00 0.00 H new ATOM 539 N ILE A 41 -7.707 0.303 2.421 1.00 0.00 N ATOM 540 CA ILE A 41 -6.355 0.239 2.948 1.00 0.00 C ATOM 541 C ILE A 41 -5.613 1.529 2.593 1.00 0.00 C ATOM 542 O ILE A 41 -5.752 2.045 1.485 1.00 0.00 O ATOM 543 CB ILE A 41 -5.650 -1.029 2.463 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.557 -2.252 2.613 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.309 -1.218 3.175 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.685 -2.662 4.081 1.00 0.00 C ATOM 0 H ILE A 41 -7.778 0.169 1.412 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.373 0.169 4.036 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.436 -0.916 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.544 -2.030 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.153 -3.082 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.829 -2.127 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.666 -0.362 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.476 -1.300 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.335 -3.534 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.700 -2.907 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.112 -1.838 4.653 1.00 0.00 H new ATOM 558 N PHE A 42 -4.840 2.014 3.555 1.00 0.00 N ATOM 559 CA PHE A 42 -4.076 3.234 3.358 1.00 0.00 C ATOM 560 C PHE A 42 -2.674 3.105 3.958 1.00 0.00 C ATOM 561 O PHE A 42 -2.441 2.265 4.825 1.00 0.00 O ATOM 562 CB PHE A 42 -4.827 4.353 4.081 1.00 0.00 C ATOM 563 CG PHE A 42 -6.198 4.671 3.482 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.203 3.757 3.561 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.413 5.866 2.870 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.476 4.052 3.005 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.686 6.161 2.314 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.690 5.248 2.393 1.00 0.00 C ATOM 0 H PHE A 42 -4.727 1.584 4.473 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.969 3.439 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.955 4.074 5.127 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.217 5.256 4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.033 2.807 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.615 6.591 2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.274 3.327 3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.856 7.111 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.658 5.472 1.970 1.00 0.00 H new ATOM 578 N VAL A 43 -1.778 3.951 3.472 1.00 0.00 N ATOM 579 CA VAL A 43 -0.405 3.943 3.949 1.00 0.00 C ATOM 580 C VAL A 43 -0.330 4.686 5.285 1.00 0.00 C ATOM 581 O VAL A 43 -0.931 5.747 5.444 1.00 0.00 O ATOM 582 CB VAL A 43 0.522 4.532 2.885 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.886 4.888 3.482 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.675 3.576 1.701 1.00 0.00 C ATOM 0 H VAL A 43 -1.976 4.647 2.753 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.068 2.922 4.125 1.00 0.00 H new ATOM 0 HB VAL A 43 0.067 5.451 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.526 5.305 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.755 5.623 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.350 3.990 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.339 4.019 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.096 2.632 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.301 3.394 1.252 1.00 0.00 H new ATOM 594 N SER A 44 0.412 4.098 6.211 1.00 0.00 N ATOM 595 CA SER A 44 0.574 4.690 7.528 1.00 0.00 C ATOM 596 C SER A 44 1.901 5.448 7.602 1.00 0.00 C ATOM 597 O SER A 44 1.982 6.506 8.224 1.00 0.00 O ATOM 598 CB SER A 44 0.509 3.624 8.624 1.00 0.00 C ATOM 599 OG SER A 44 1.773 3.428 9.253 1.00 0.00 O ATOM 0 H SER A 44 0.908 3.217 6.076 1.00 0.00 H new ATOM 0 HA SER A 44 -0.246 5.390 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.227 3.918 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.168 2.682 8.194 1.00 0.00 H new ATOM 0 HG SER A 44 1.690 2.742 9.947 1.00 0.00 H new ATOM 605 N PHE A 45 2.909 4.876 6.959 1.00 0.00 N ATOM 606 CA PHE A 45 4.228 5.483 6.944 1.00 0.00 C ATOM 607 C PHE A 45 5.045 4.992 5.748 1.00 0.00 C ATOM 608 O PHE A 45 4.664 4.028 5.086 1.00 0.00 O ATOM 609 CB PHE A 45 4.931 5.058 8.235 1.00 0.00 C ATOM 610 CG PHE A 45 6.409 5.451 8.298 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.760 6.744 8.533 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.371 4.507 8.118 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.131 7.108 8.590 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.743 4.871 8.176 1.00 0.00 C ATOM 615 CZ PHE A 45 9.093 6.164 8.411 1.00 0.00 C ATOM 0 H PHE A 45 2.838 3.998 6.445 1.00 0.00 H new ATOM 0 HA PHE A 45 4.137 6.566 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.411 5.503 9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.848 3.976 8.342 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.996 7.494 8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.092 3.481 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.410 8.135 8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.507 4.122 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.136 6.441 8.455 1.00 0.00 H new ATOM 625 N ILE A 46 6.153 5.677 5.506 1.00 0.00 N ATOM 626 CA ILE A 46 7.026 5.322 4.400 1.00 0.00 C ATOM 627 C ILE A 46 8.479 5.327 4.882 1.00 0.00 C ATOM 628 O ILE A 46 8.991 6.359 5.313 1.00 0.00 O ATOM 629 CB ILE A 46 6.773 6.239 3.202 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.345 6.076 2.679 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.815 6.009 2.106 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.341 5.449 1.283 1.00 0.00 C ATOM 0 H ILE A 46 6.466 6.476 6.057 1.00 0.00 H new ATOM 0 HA ILE A 46 6.808 4.313 4.051 1.00 0.00 H new ATOM 0 HB ILE A 46 6.878 7.272 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.772 5.451 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.853 7.048 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.612 6.673 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.810 6.216 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.767 4.973 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.314 5.344 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.894 6.089 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.812 4.467 1.324 1.00 0.00 H new ATOM 644 N LEU A 47 9.101 4.161 4.793 1.00 0.00 N ATOM 645 CA LEU A 47 10.485 4.017 5.214 1.00 0.00 C ATOM 646 C LEU A 47 11.342 5.063 4.499 1.00 0.00 C ATOM 647 O LEU A 47 11.160 5.311 3.308 1.00 0.00 O ATOM 648 CB LEU A 47 10.963 2.579 5.001 1.00 0.00 C ATOM 649 CG LEU A 47 12.412 2.289 5.396 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.380 2.735 4.298 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.749 2.921 6.748 1.00 0.00 C ATOM 0 H LEU A 47 8.673 3.307 4.436 1.00 0.00 H new ATOM 0 HA LEU A 47 10.580 4.204 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.312 1.913 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.837 2.327 3.948 1.00 0.00 H new ATOM 0 HG LEU A 47 12.526 1.211 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.403 2.517 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.156 2.199 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.272 3.807 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.785 2.700 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.613 4.001 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.090 2.513 7.515 1.00 0.00 H new ATOM 663 N ALA A 48 12.259 5.647 5.256 1.00 0.00 N ATOM 664 CA ALA A 48 13.145 6.661 4.710 1.00 0.00 C ATOM 665 C ALA A 48 14.312 5.979 3.993 1.00 0.00 C ATOM 666 O ALA A 48 15.114 5.290 4.621 1.00 0.00 O ATOM 667 CB ALA A 48 13.613 7.589 5.833 1.00 0.00 C ATOM 0 H ALA A 48 12.408 5.437 6.243 1.00 0.00 H new ATOM 0 HA ALA A 48 12.621 7.275 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.278 8.350 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.749 8.071 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.146 7.009 6.586 1.00 0.00 H new ATOM 673 N GLY A 49 14.370 6.195 2.687 1.00 0.00 N ATOM 674 CA GLY A 49 15.425 5.610 1.877 1.00 0.00 C ATOM 675 C GLY A 49 14.925 4.367 1.140 1.00 0.00 C ATOM 676 O GLY A 49 15.584 3.876 0.224 1.00 0.00 O ATOM 0 H GLY A 49 13.703 6.767 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.785 6.344 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.271 5.345 2.511 1.00 0.00 H new ATOM 680 N GLY A 50 13.763 3.893 1.565 1.00 0.00 N ATOM 681 CA GLY A 50 13.166 2.716 0.956 1.00 0.00 C ATOM 682 C GLY A 50 12.740 3.001 -0.485 1.00 0.00 C ATOM 683 O GLY A 50 12.963 4.097 -0.997 1.00 0.00 O ATOM 0 H GLY A 50 13.219 4.303 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.880 1.892 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.301 2.400 1.539 1.00 0.00 H new ATOM 687 N PRO A 51 12.118 1.969 -1.115 1.00 0.00 N ATOM 688 CA PRO A 51 11.659 2.097 -2.488 1.00 0.00 C ATOM 689 C PRO A 51 10.392 2.952 -2.564 1.00 0.00 C ATOM 690 O PRO A 51 10.173 3.659 -3.547 1.00 0.00 O ATOM 691 CB PRO A 51 11.442 0.671 -2.966 1.00 0.00 C ATOM 692 CG PRO A 51 11.341 -0.179 -1.709 1.00 0.00 C ATOM 693 CD PRO A 51 11.838 0.656 -0.541 1.00 0.00 C ATOM 0 HA PRO A 51 12.378 2.611 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.534 0.593 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.268 0.340 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.311 -0.493 -1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.938 -1.085 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.088 0.720 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.732 0.220 -0.095 1.00 0.00 H new ATOM 701 N ALA A 52 9.590 2.859 -1.513 1.00 0.00 N ATOM 702 CA ALA A 52 8.351 3.615 -1.449 1.00 0.00 C ATOM 703 C ALA A 52 8.673 5.103 -1.301 1.00 0.00 C ATOM 704 O ALA A 52 7.901 5.956 -1.739 1.00 0.00 O ATOM 705 CB ALA A 52 7.491 3.088 -0.298 1.00 0.00 C ATOM 0 H ALA A 52 9.774 2.272 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 52 7.778 3.492 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.561 3.655 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.266 2.035 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.033 3.199 0.641 1.00 0.00 H new ATOM 711 N ASP A 53 9.815 5.371 -0.684 1.00 0.00 N ATOM 712 CA ASP A 53 10.249 6.741 -0.474 1.00 0.00 C ATOM 713 C ASP A 53 11.075 7.200 -1.677 1.00 0.00 C ATOM 714 O ASP A 53 10.734 8.187 -2.329 1.00 0.00 O ATOM 715 CB ASP A 53 11.126 6.856 0.774 1.00 0.00 C ATOM 716 CG ASP A 53 11.721 8.244 1.021 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.827 9.000 0.032 1.00 0.00 O ATOM 718 OD2 ASP A 53 12.055 8.517 2.194 1.00 0.00 O ATOM 0 H ASP A 53 10.453 4.662 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 53 9.361 7.360 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.533 6.571 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.941 6.137 0.694 1.00 0.00 H new ATOM 723 N LEU A 54 12.145 6.463 -1.935 1.00 0.00 N ATOM 724 CA LEU A 54 13.023 6.782 -3.049 1.00 0.00 C ATOM 725 C LEU A 54 12.181 7.022 -4.303 1.00 0.00 C ATOM 726 O LEU A 54 12.285 8.074 -4.933 1.00 0.00 O ATOM 727 CB LEU A 54 14.086 5.696 -3.221 1.00 0.00 C ATOM 728 CG LEU A 54 15.180 5.653 -2.151 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.316 4.717 -2.566 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.685 7.060 -1.827 1.00 0.00 C ATOM 0 H LEU A 54 12.424 5.646 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 54 13.571 7.703 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.587 4.727 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.561 5.831 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 54 14.748 5.248 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.080 4.705 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.924 3.709 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.755 5.069 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.461 7.001 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.095 7.516 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.859 7.667 -1.457 1.00 0.00 H new ATOM 742 N SER A 55 11.365 6.030 -4.629 1.00 0.00 N ATOM 743 CA SER A 55 10.506 6.120 -5.797 1.00 0.00 C ATOM 744 C SER A 55 9.939 7.536 -5.922 1.00 0.00 C ATOM 745 O SER A 55 10.010 8.145 -6.988 1.00 0.00 O ATOM 746 CB SER A 55 9.370 5.098 -5.726 1.00 0.00 C ATOM 747 OG SER A 55 8.510 5.176 -6.859 1.00 0.00 O ATOM 0 H SER A 55 11.281 5.160 -4.104 1.00 0.00 H new ATOM 0 HA SER A 55 11.105 5.896 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.789 4.094 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.790 5.264 -4.818 1.00 0.00 H new ATOM 0 HG SER A 55 7.799 4.507 -6.777 1.00 0.00 H new ATOM 753 N GLY A 56 9.388 8.017 -4.817 1.00 0.00 N ATOM 754 CA GLY A 56 8.809 9.350 -4.789 1.00 0.00 C ATOM 755 C GLY A 56 7.325 9.310 -5.157 1.00 0.00 C ATOM 756 O GLY A 56 6.653 10.340 -5.153 1.00 0.00 O ATOM 0 H GLY A 56 9.330 7.508 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.930 9.782 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.343 9.997 -5.485 1.00 0.00 H new ATOM 760 N GLU A 57 6.857 8.110 -5.468 1.00 0.00 N ATOM 761 CA GLU A 57 5.464 7.923 -5.838 1.00 0.00 C ATOM 762 C GLU A 57 4.638 7.527 -4.613 1.00 0.00 C ATOM 763 O GLU A 57 3.561 8.075 -4.383 1.00 0.00 O ATOM 764 CB GLU A 57 5.328 6.882 -6.951 1.00 0.00 C ATOM 765 CG GLU A 57 6.250 7.212 -8.127 1.00 0.00 C ATOM 766 CD GLU A 57 5.571 8.177 -9.102 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.676 9.398 -8.858 1.00 0.00 O ATOM 768 OE2 GLU A 57 4.962 7.670 -10.069 1.00 0.00 O ATOM 0 H GLU A 57 7.417 7.258 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 57 5.080 8.869 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.570 5.894 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.294 6.845 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.174 7.655 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.523 6.295 -8.648 1.00 0.00 H new ATOM 775 N LEU A 58 5.173 6.578 -3.859 1.00 0.00 N ATOM 776 CA LEU A 58 4.499 6.102 -2.664 1.00 0.00 C ATOM 777 C LEU A 58 4.813 7.043 -1.498 1.00 0.00 C ATOM 778 O LEU A 58 5.978 7.275 -1.181 1.00 0.00 O ATOM 779 CB LEU A 58 4.860 4.641 -2.390 1.00 0.00 C ATOM 780 CG LEU A 58 3.934 3.890 -1.431 1.00 0.00 C ATOM 781 CD1 LEU A 58 2.540 4.519 -1.408 1.00 0.00 C ATOM 782 CD2 LEU A 58 3.884 2.399 -1.773 1.00 0.00 C ATOM 0 H LEU A 58 6.066 6.126 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 58 3.418 6.117 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.877 4.107 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.872 4.607 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 58 4.343 3.977 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.902 3.966 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.614 5.556 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.109 4.484 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.219 1.888 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.512 2.271 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.885 1.974 -1.697 1.00 0.00 H new ATOM 794 N ARG A 59 3.753 7.557 -0.893 1.00 0.00 N ATOM 795 CA ARG A 59 3.901 8.467 0.231 1.00 0.00 C ATOM 796 C ARG A 59 2.864 8.151 1.310 1.00 0.00 C ATOM 797 O ARG A 59 1.863 7.489 1.039 1.00 0.00 O ATOM 798 CB ARG A 59 3.737 9.922 -0.213 1.00 0.00 C ATOM 799 CG ARG A 59 2.262 10.328 -0.230 1.00 0.00 C ATOM 800 CD ARG A 59 1.916 11.188 0.987 1.00 0.00 C ATOM 801 NE ARG A 59 0.448 11.333 1.103 1.00 0.00 N ATOM 802 CZ ARG A 59 -0.158 12.297 1.810 1.00 0.00 C ATOM 803 NH1 ARG A 59 0.575 13.206 2.468 1.00 0.00 N ATOM 804 NH2 ARG A 59 -1.496 12.352 1.859 1.00 0.00 N ATOM 0 H ARG A 59 2.788 7.361 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 59 4.904 8.333 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.290 10.576 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.165 10.053 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.044 10.880 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.636 9.436 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.317 10.731 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.380 12.170 0.893 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.139 10.657 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.593 13.164 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.114 13.940 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.054 11.660 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.957 13.086 2.397 1.00 0.00 H new ATOM 818 N ARG A 60 3.139 8.638 2.511 1.00 0.00 N ATOM 819 CA ARG A 60 2.242 8.416 3.632 1.00 0.00 C ATOM 820 C ARG A 60 0.914 9.140 3.402 1.00 0.00 C ATOM 821 O ARG A 60 0.710 10.244 3.905 1.00 0.00 O ATOM 822 CB ARG A 60 2.863 8.908 4.941 1.00 0.00 C ATOM 823 CG ARG A 60 1.875 8.774 6.102 1.00 0.00 C ATOM 824 CD ARG A 60 2.442 9.397 7.379 1.00 0.00 C ATOM 825 NE ARG A 60 2.020 10.812 7.483 1.00 0.00 N ATOM 826 CZ ARG A 60 2.655 11.734 8.219 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.746 11.395 8.921 1.00 0.00 N ATOM 828 NH2 ARG A 60 2.201 12.994 8.254 1.00 0.00 N ATOM 0 H ARG A 60 3.971 9.186 2.732 1.00 0.00 H new ATOM 0 HA ARG A 60 2.066 7.343 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.764 8.335 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.166 9.950 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.935 9.261 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.652 7.721 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.095 8.841 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.530 9.333 7.372 1.00 0.00 H new ATOM 0 HE ARG A 60 1.193 11.104 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.092 10.436 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.230 12.096 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.371 13.252 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.685 13.695 8.815 1.00 0.00 H new ATOM 842 N GLY A 61 0.046 8.490 2.641 1.00 0.00 N ATOM 843 CA GLY A 61 -1.256 9.058 2.338 1.00 0.00 C ATOM 844 C GLY A 61 -1.747 8.602 0.962 1.00 0.00 C ATOM 845 O GLY A 61 -2.248 9.407 0.179 1.00 0.00 O ATOM 0 H GLY A 61 0.219 7.575 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.974 8.759 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.197 10.146 2.365 1.00 0.00 H new ATOM 849 N ASP A 62 -1.586 7.311 0.711 1.00 0.00 N ATOM 850 CA ASP A 62 -2.006 6.738 -0.557 1.00 0.00 C ATOM 851 C ASP A 62 -2.810 5.463 -0.293 1.00 0.00 C ATOM 852 O ASP A 62 -2.259 4.459 0.157 1.00 0.00 O ATOM 853 CB ASP A 62 -0.800 6.366 -1.420 1.00 0.00 C ATOM 854 CG ASP A 62 -0.807 6.958 -2.831 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.478 8.158 -2.945 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.142 6.197 -3.764 1.00 0.00 O ATOM 0 H ASP A 62 -1.171 6.646 1.363 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.608 7.481 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.107 6.692 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.749 5.280 -1.498 1.00 0.00 H new ATOM 861 N ARG A 63 -4.100 5.543 -0.584 1.00 0.00 N ATOM 862 CA ARG A 63 -4.985 4.408 -0.384 1.00 0.00 C ATOM 863 C ARG A 63 -4.542 3.230 -1.255 1.00 0.00 C ATOM 864 O ARG A 63 -4.414 3.366 -2.471 1.00 0.00 O ATOM 865 CB ARG A 63 -6.431 4.770 -0.725 1.00 0.00 C ATOM 866 CG ARG A 63 -7.336 3.538 -0.658 1.00 0.00 C ATOM 867 CD ARG A 63 -8.764 3.882 -1.086 1.00 0.00 C ATOM 868 NE ARG A 63 -9.589 2.655 -1.128 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.929 2.650 -1.145 1.00 0.00 C ATOM 870 NH1 ARG A 63 -11.603 3.808 -1.122 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.595 1.488 -1.183 1.00 0.00 N ATOM 0 H ARG A 63 -4.554 6.377 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.932 4.127 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.793 5.529 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.475 5.204 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.938 2.755 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.342 3.142 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.199 4.599 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.754 4.357 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.108 1.756 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.096 4.693 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.623 3.805 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.082 0.606 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.615 1.485 -1.196 1.00 0.00 H new ATOM 885 N ILE A 64 -4.320 2.101 -0.598 1.00 0.00 N ATOM 886 CA ILE A 64 -3.895 0.900 -1.298 1.00 0.00 C ATOM 887 C ILE A 64 -5.111 0.233 -1.942 1.00 0.00 C ATOM 888 O ILE A 64 -5.865 -0.473 -1.272 1.00 0.00 O ATOM 889 CB ILE A 64 -3.115 -0.020 -0.356 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.834 0.657 0.135 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.833 -1.370 -1.019 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.760 0.653 -0.955 1.00 0.00 C ATOM 0 H ILE A 64 -4.426 1.992 0.411 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.206 1.152 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.732 -0.215 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.052 1.683 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.461 0.141 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.278 -2.005 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.776 -1.852 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.244 -1.215 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.140 1.140 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.528 -0.375 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.127 1.191 -1.829 1.00 0.00 H new ATOM 904 N LEU A 65 -5.266 0.478 -3.235 1.00 0.00 N ATOM 905 CA LEU A 65 -6.378 -0.091 -3.977 1.00 0.00 C ATOM 906 C LEU A 65 -6.112 -1.576 -4.227 1.00 0.00 C ATOM 907 O LEU A 65 -6.927 -2.425 -3.868 1.00 0.00 O ATOM 908 CB LEU A 65 -6.635 0.711 -5.255 1.00 0.00 C ATOM 909 CG LEU A 65 -7.443 1.999 -5.087 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.762 1.728 -4.360 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.615 3.079 -4.387 1.00 0.00 C ATOM 0 H LEU A 65 -4.640 1.063 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.298 -0.025 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.673 0.964 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.156 0.069 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.693 2.377 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.317 2.660 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.355 1.016 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.555 1.314 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.213 3.984 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.314 2.725 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.727 3.299 -4.980 1.00 0.00 H new ATOM 923 N SER A 66 -4.969 -1.846 -4.839 1.00 0.00 N ATOM 924 CA SER A 66 -4.585 -3.214 -5.141 1.00 0.00 C ATOM 925 C SER A 66 -3.067 -3.368 -5.035 1.00 0.00 C ATOM 926 O SER A 66 -2.342 -2.377 -4.965 1.00 0.00 O ATOM 927 CB SER A 66 -5.064 -3.626 -6.535 1.00 0.00 C ATOM 928 OG SER A 66 -4.739 -2.650 -7.521 1.00 0.00 O ATOM 0 H SER A 66 -4.295 -1.139 -5.134 1.00 0.00 H new ATOM 0 HA SER A 66 -5.062 -3.871 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.612 -4.580 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.143 -3.778 -6.517 1.00 0.00 H new ATOM 0 HG SER A 66 -5.060 -2.950 -8.397 1.00 0.00 H new ATOM 934 N VAL A 67 -2.630 -4.619 -5.026 1.00 0.00 N ATOM 935 CA VAL A 67 -1.211 -4.915 -4.929 1.00 0.00 C ATOM 936 C VAL A 67 -0.827 -5.916 -6.021 1.00 0.00 C ATOM 937 O VAL A 67 -1.490 -6.938 -6.192 1.00 0.00 O ATOM 938 CB VAL A 67 -0.874 -5.409 -3.520 1.00 0.00 C ATOM 939 CG1 VAL A 67 -2.047 -6.183 -2.916 1.00 0.00 C ATOM 940 CG2 VAL A 67 0.398 -6.259 -3.527 1.00 0.00 C ATOM 0 H VAL A 67 -3.234 -5.439 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.621 -4.013 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.690 -4.536 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.782 -6.523 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.921 -5.534 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.276 -7.045 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.615 -6.597 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.254 -7.123 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.232 -5.663 -3.897 1.00 0.00 H new ATOM 950 N ASN A 68 0.241 -5.586 -6.732 1.00 0.00 N ATOM 951 CA ASN A 68 0.720 -6.444 -7.803 1.00 0.00 C ATOM 952 C ASN A 68 -0.476 -7.021 -8.562 1.00 0.00 C ATOM 953 O ASN A 68 -0.400 -8.124 -9.101 1.00 0.00 O ATOM 954 CB ASN A 68 1.538 -7.612 -7.249 1.00 0.00 C ATOM 955 CG ASN A 68 2.744 -7.910 -8.142 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.993 -7.246 -9.135 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.477 -8.942 -7.734 1.00 0.00 N ATOM 0 H ASN A 68 0.788 -4.737 -6.588 1.00 0.00 H new ATOM 0 HA ASN A 68 1.349 -5.844 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.877 -7.377 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.908 -8.499 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.304 -9.220 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.212 -9.455 -6.893 1.00 0.00 H new ATOM 964 N GLY A 69 -1.553 -6.250 -8.581 1.00 0.00 N ATOM 965 CA GLY A 69 -2.763 -6.671 -9.266 1.00 0.00 C ATOM 966 C GLY A 69 -3.638 -7.532 -8.352 1.00 0.00 C ATOM 967 O GLY A 69 -4.104 -8.596 -8.756 1.00 0.00 O ATOM 0 H GLY A 69 -1.613 -5.336 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.324 -5.795 -9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.501 -7.235 -10.161 1.00 0.00 H new ATOM 971 N VAL A 70 -3.835 -7.039 -7.138 1.00 0.00 N ATOM 972 CA VAL A 70 -4.646 -7.749 -6.164 1.00 0.00 C ATOM 973 C VAL A 70 -5.798 -6.850 -5.712 1.00 0.00 C ATOM 974 O VAL A 70 -5.570 -5.769 -5.170 1.00 0.00 O ATOM 975 CB VAL A 70 -3.771 -8.229 -5.005 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.606 -8.966 -3.956 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.624 -9.107 -5.510 1.00 0.00 C ATOM 0 H VAL A 70 -3.447 -6.156 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.087 -8.640 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.335 -7.351 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.960 -9.297 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.370 -8.296 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.084 -9.832 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.018 -9.435 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.031 -9.978 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.005 -8.535 -6.201 1.00 0.00 H new ATOM 987 N ASN A 71 -7.010 -7.328 -5.951 1.00 0.00 N ATOM 988 CA ASN A 71 -8.198 -6.581 -5.575 1.00 0.00 C ATOM 989 C ASN A 71 -8.338 -6.588 -4.052 1.00 0.00 C ATOM 990 O ASN A 71 -8.712 -7.602 -3.464 1.00 0.00 O ATOM 991 CB ASN A 71 -9.458 -7.213 -6.169 1.00 0.00 C ATOM 992 CG ASN A 71 -10.612 -6.210 -6.200 1.00 0.00 C ATOM 993 OD1 ASN A 71 -11.217 -5.888 -5.191 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.883 -5.735 -7.413 1.00 0.00 N ATOM 0 H ASN A 71 -7.195 -8.224 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.092 -5.565 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.251 -7.565 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.744 -8.084 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.636 -5.059 -7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.337 -6.047 -8.216 1.00 0.00 H new ATOM 1001 N LEU A 72 -8.031 -5.445 -3.455 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.118 -5.307 -2.012 1.00 0.00 C ATOM 1003 C LEU A 72 -9.086 -4.172 -1.670 1.00 0.00 C ATOM 1004 O LEU A 72 -9.163 -3.743 -0.520 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.725 -5.131 -1.405 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.773 -6.320 -1.555 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -4.370 -5.964 -1.061 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -6.330 -7.560 -0.854 1.00 0.00 C ATOM 0 H LEU A 72 -7.722 -4.606 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.522 -6.216 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.259 -4.258 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.838 -4.913 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.690 -6.560 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.713 -6.826 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.980 -5.129 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.415 -5.683 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.634 -8.390 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.462 -7.350 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.292 -7.825 -1.293 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.799 -3.718 -2.690 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.758 -2.641 -2.512 1.00 0.00 C ATOM 1022 C ARG A 73 -11.482 -2.791 -1.173 1.00 0.00 C ATOM 1023 O ARG A 73 -11.869 -1.798 -0.558 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.789 -2.629 -3.643 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.402 -1.621 -4.727 1.00 0.00 C ATOM 1026 CD ARG A 73 -12.005 -2.010 -6.078 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.373 -1.457 -6.199 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.173 -1.657 -7.255 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.748 -2.399 -8.287 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.399 -1.116 -7.279 1.00 0.00 N ATOM 0 H ARG A 73 -9.732 -4.076 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.207 -1.701 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.868 -3.625 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.771 -2.378 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.747 -0.627 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.316 -1.570 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.379 -1.634 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.033 -3.095 -6.174 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.729 -0.888 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.815 -2.812 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.357 -2.551 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.723 -0.552 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.008 -1.268 -8.083 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.643 -4.040 -0.760 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.314 -4.332 0.495 1.00 0.00 C ATOM 1046 C ASN A 74 -11.702 -5.590 1.115 1.00 0.00 C ATOM 1047 O ASN A 74 -12.349 -6.634 1.176 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.806 -4.592 0.275 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.409 -3.554 -0.673 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.231 -3.601 -1.880 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -15.129 -2.617 -0.063 1.00 0.00 N ATOM 0 H ASN A 74 -11.320 -4.861 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.191 -3.470 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.948 -5.591 -0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.329 -4.564 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.573 -1.879 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.238 -2.637 0.951 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.461 -5.449 1.559 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.755 -6.561 2.171 1.00 0.00 C ATOM 1060 C ALA A 75 -9.315 -6.165 3.582 1.00 0.00 C ATOM 1061 O ALA A 75 -9.474 -5.014 3.986 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.575 -6.967 1.285 1.00 0.00 C ATOM 0 H ALA A 75 -9.927 -4.581 1.507 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.409 -7.428 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.045 -7.802 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.943 -7.267 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.895 -6.122 1.175 1.00 0.00 H new ATOM 1068 N THR A 76 -8.769 -7.141 4.293 1.00 0.00 N ATOM 1069 CA THR A 76 -8.305 -6.909 5.650 1.00 0.00 C ATOM 1070 C THR A 76 -6.840 -6.468 5.644 1.00 0.00 C ATOM 1071 O THR A 76 -6.157 -6.585 4.628 1.00 0.00 O ATOM 1072 CB THR A 76 -8.553 -8.184 6.459 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.669 -9.140 5.880 1.00 0.00 O ATOM 1074 CG2 THR A 76 -9.946 -8.769 6.217 1.00 0.00 C ATOM 0 H THR A 76 -8.638 -8.094 3.954 1.00 0.00 H new ATOM 0 HA THR A 76 -8.855 -6.095 6.123 1.00 0.00 H new ATOM 0 HB THR A 76 -8.429 -7.970 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.763 -9.997 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.070 -9.672 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.702 -8.038 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.059 -9.014 5.161 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.400 -5.972 6.791 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.029 -5.513 6.931 1.00 0.00 C ATOM 1084 C HIS A 77 -4.069 -6.642 6.552 1.00 0.00 C ATOM 1085 O HIS A 77 -3.138 -6.436 5.775 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.779 -4.970 8.340 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.452 -4.266 8.500 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -2.916 -3.951 9.736 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.561 -3.822 7.568 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.754 -3.343 9.545 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.536 -3.263 8.201 1.00 0.00 N ATOM 0 H HIS A 77 -6.969 -5.878 7.632 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.848 -4.684 6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.580 -4.277 8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.829 -5.795 9.051 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.343 -4.152 10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.670 -3.910 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.095 -2.975 10.318 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.328 -7.812 7.118 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.499 -8.974 6.849 1.00 0.00 C ATOM 1101 C GLU A 78 -3.565 -9.341 5.366 1.00 0.00 C ATOM 1102 O GLU A 78 -2.534 -9.472 4.708 1.00 0.00 O ATOM 1103 CB GLU A 78 -3.912 -10.157 7.726 1.00 0.00 C ATOM 1104 CG GLU A 78 -2.722 -11.079 8.001 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.148 -12.294 8.828 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.436 -12.091 10.027 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.176 -13.397 8.242 1.00 0.00 O ATOM 0 H GLU A 78 -5.101 -7.980 7.762 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.467 -8.725 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.318 -9.791 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.706 -10.719 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.289 -11.411 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.946 -10.528 8.532 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.788 -9.498 4.882 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.003 -9.847 3.488 1.00 0.00 C ATOM 1116 C GLN A 79 -4.198 -8.917 2.577 1.00 0.00 C ATOM 1117 O GLN A 79 -3.763 -9.321 1.500 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.491 -9.808 3.135 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.127 -11.191 3.285 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.572 -11.188 2.781 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.941 -10.451 1.882 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.365 -12.051 3.409 1.00 0.00 N ATOM 0 H GLN A 79 -5.641 -9.390 5.431 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.654 -10.868 3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.003 -9.096 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.616 -9.455 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.545 -11.925 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.104 -11.494 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.991 -12.639 4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.348 -12.125 3.146 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.026 -7.689 3.044 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.281 -6.698 2.285 1.00 0.00 C ATOM 1133 C ALA A 80 -1.784 -6.984 2.413 1.00 0.00 C ATOM 1134 O ALA A 80 -1.044 -6.883 1.435 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.651 -5.296 2.775 1.00 0.00 C ATOM 0 H ALA A 80 -4.389 -7.358 3.938 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.538 -6.752 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.093 -4.553 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.720 -5.132 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.405 -5.203 3.833 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.382 -7.334 3.625 1.00 0.00 N ATOM 1142 CA ALA A 81 0.014 -7.635 3.893 1.00 0.00 C ATOM 1143 C ALA A 81 0.396 -8.935 3.183 1.00 0.00 C ATOM 1144 O ALA A 81 1.465 -9.027 2.581 1.00 0.00 O ATOM 1145 CB ALA A 81 0.240 -7.708 5.405 1.00 0.00 C ATOM 0 H ALA A 81 -1.999 -7.416 4.433 1.00 0.00 H new ATOM 0 HA ALA A 81 0.658 -6.846 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.287 -7.934 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.018 -6.751 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.388 -8.491 5.829 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.498 -9.909 3.277 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.268 -11.200 2.651 1.00 0.00 C ATOM 1153 C ALA A 82 -0.050 -11.002 1.150 1.00 0.00 C ATOM 1154 O ALA A 82 0.631 -11.800 0.508 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.444 -12.130 2.952 1.00 0.00 C ATOM 0 H ALA A 82 -1.383 -9.830 3.778 1.00 0.00 H new ATOM 0 HA ALA A 82 0.629 -11.668 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.271 -13.098 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.538 -12.261 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.362 -11.694 2.558 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.641 -9.934 0.634 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.520 -9.622 -0.780 1.00 0.00 C ATOM 1163 C ALA A 83 0.888 -9.094 -1.063 1.00 0.00 C ATOM 1164 O ALA A 83 1.419 -9.285 -2.156 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.607 -8.622 -1.177 1.00 0.00 C ATOM 0 H ALA A 83 -1.205 -9.274 1.170 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.664 -10.518 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.516 -8.388 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.588 -9.055 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.492 -7.709 -0.593 1.00 0.00 H new ATOM 1171 N LEU A 84 1.454 -8.442 -0.058 1.00 0.00 N ATOM 1172 CA LEU A 84 2.790 -7.886 -0.184 1.00 0.00 C ATOM 1173 C LEU A 84 3.822 -8.966 0.148 1.00 0.00 C ATOM 1174 O LEU A 84 4.973 -8.881 -0.275 1.00 0.00 O ATOM 1175 CB LEU A 84 2.928 -6.622 0.667 1.00 0.00 C ATOM 1176 CG LEU A 84 2.268 -5.360 0.106 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.343 -4.209 1.111 1.00 0.00 C ATOM 1178 CD2 LEU A 84 2.873 -4.981 -1.247 1.00 0.00 C ATOM 0 H LEU A 84 1.011 -8.286 0.848 1.00 0.00 H new ATOM 0 HA LEU A 84 2.975 -7.572 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.505 -6.823 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.989 -6.419 0.812 1.00 0.00 H new ATOM 0 HG LEU A 84 1.212 -5.572 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.867 -3.325 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.829 -4.493 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.387 -3.988 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.387 -4.081 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.940 -4.794 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.724 -5.797 -1.954 1.00 0.00 H new ATOM 1190 N LYS A 85 3.371 -9.957 0.903 1.00 0.00 N ATOM 1191 CA LYS A 85 4.240 -11.052 1.298 1.00 0.00 C ATOM 1192 C LYS A 85 4.286 -12.091 0.175 1.00 0.00 C ATOM 1193 O LYS A 85 5.258 -12.834 0.052 1.00 0.00 O ATOM 1194 CB LYS A 85 3.801 -11.625 2.647 1.00 0.00 C ATOM 1195 CG LYS A 85 4.522 -10.925 3.800 1.00 0.00 C ATOM 1196 CD LYS A 85 3.521 -10.355 4.808 1.00 0.00 C ATOM 1197 CE LYS A 85 4.078 -9.101 5.485 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.370 -9.369 6.911 1.00 0.00 N ATOM 0 H LYS A 85 2.415 -10.024 1.252 1.00 0.00 H new ATOM 0 HA LYS A 85 5.259 -10.695 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.723 -11.508 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.011 -12.694 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.186 -11.630 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.147 -10.122 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.586 -10.114 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.290 -11.108 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.986 -8.779 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.359 -8.286 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.747 -8.508 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.496 -9.655 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.072 -10.133 6.984 1.00 0.00 H new ATOM 1212 N ARG A 86 3.223 -12.108 -0.616 1.00 0.00 N ATOM 1213 CA ARG A 86 3.130 -13.042 -1.725 1.00 0.00 C ATOM 1214 C ARG A 86 3.734 -12.427 -2.989 1.00 0.00 C ATOM 1215 O ARG A 86 3.899 -13.111 -3.999 1.00 0.00 O ATOM 1216 CB ARG A 86 1.676 -13.429 -1.999 1.00 0.00 C ATOM 1217 CG ARG A 86 0.953 -12.327 -2.776 1.00 0.00 C ATOM 1218 CD ARG A 86 0.788 -12.711 -4.248 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.627 -12.564 -4.654 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.585 -13.461 -4.380 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.284 -14.574 -3.698 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -2.843 -13.244 -4.789 1.00 0.00 N ATOM 0 H ARG A 86 2.419 -11.490 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 86 3.687 -13.938 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.644 -14.360 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.161 -13.612 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.026 -12.146 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.514 -11.396 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.421 -12.079 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.114 -13.739 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.890 -11.728 -5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.326 -14.739 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.012 -15.257 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.071 -12.397 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.572 -13.926 -4.581 1.00 0.00 H new ATOM 1236 N ALA A 87 4.049 -11.144 -2.893 1.00 0.00 N ATOM 1237 CA ALA A 87 4.631 -10.430 -4.016 1.00 0.00 C ATOM 1238 C ALA A 87 6.019 -11.001 -4.314 1.00 0.00 C ATOM 1239 O ALA A 87 6.201 -12.217 -4.337 1.00 0.00 O ATOM 1240 CB ALA A 87 4.672 -8.932 -3.704 1.00 0.00 C ATOM 0 H ALA A 87 3.912 -10.580 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 87 4.021 -10.560 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.109 -8.397 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.659 -8.569 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.277 -8.762 -2.813 1.00 0.00 H new ATOM 1246 N GLY A 88 6.961 -10.096 -4.536 1.00 0.00 N ATOM 1247 CA GLY A 88 8.326 -10.495 -4.832 1.00 0.00 C ATOM 1248 C GLY A 88 9.247 -9.276 -4.918 1.00 0.00 C ATOM 1249 O GLY A 88 9.067 -8.304 -4.185 1.00 0.00 O ATOM 0 H GLY A 88 6.806 -9.088 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.686 -11.174 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.352 -11.043 -5.774 1.00 0.00 H new ATOM 1253 N GLN A 89 10.213 -9.367 -5.820 1.00 0.00 N ATOM 1254 CA GLN A 89 11.162 -8.283 -6.011 1.00 0.00 C ATOM 1255 C GLN A 89 10.475 -7.085 -6.669 1.00 0.00 C ATOM 1256 O GLN A 89 10.553 -5.966 -6.165 1.00 0.00 O ATOM 1257 CB GLN A 89 12.365 -8.747 -6.837 1.00 0.00 C ATOM 1258 CG GLN A 89 13.623 -8.833 -5.971 1.00 0.00 C ATOM 1259 CD GLN A 89 13.385 -9.715 -4.743 1.00 0.00 C ATOM 1260 OE1 GLN A 89 13.054 -9.037 -3.647 1.00 0.00 O flip ATOM 1261 NE2 GLN A 89 13.494 -10.929 -4.788 1.00 0.00 N flip ATOM 0 H GLN A 89 10.359 -10.174 -6.426 1.00 0.00 H new ATOM 0 HA GLN A 89 11.531 -7.973 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.155 -9.722 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.533 -8.055 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.447 -9.237 -6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.919 -7.833 -5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.751 -11.386 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.328 -11.487 -3.951 1.00 0.00 H new ATOM 1270 N SER A 90 9.817 -7.361 -7.786 1.00 0.00 N ATOM 1271 CA SER A 90 9.116 -6.320 -8.518 1.00 0.00 C ATOM 1272 C SER A 90 7.612 -6.418 -8.256 1.00 0.00 C ATOM 1273 O SER A 90 6.936 -7.281 -8.814 1.00 0.00 O ATOM 1274 CB SER A 90 9.401 -6.415 -10.018 1.00 0.00 C ATOM 1275 OG SER A 90 9.974 -7.670 -10.375 1.00 0.00 O ATOM 0 H SER A 90 9.755 -8.290 -8.202 1.00 0.00 H new ATOM 0 HA SER A 90 9.477 -5.353 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.474 -6.269 -10.573 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.077 -5.612 -10.310 1.00 0.00 H new ATOM 0 HG SER A 90 10.139 -7.691 -11.341 1.00 0.00 H new ATOM 1281 N VAL A 91 7.132 -5.521 -7.407 1.00 0.00 N ATOM 1282 CA VAL A 91 5.720 -5.495 -7.064 1.00 0.00 C ATOM 1283 C VAL A 91 5.114 -4.166 -7.517 1.00 0.00 C ATOM 1284 O VAL A 91 5.716 -3.109 -7.331 1.00 0.00 O ATOM 1285 CB VAL A 91 5.540 -5.755 -5.567 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.095 -6.141 -5.248 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.516 -6.826 -5.076 1.00 0.00 C ATOM 0 H VAL A 91 7.696 -4.807 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 91 5.186 -6.290 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 91 5.764 -4.830 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.994 -6.320 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.428 -5.331 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.831 -7.047 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.367 -6.992 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.338 -7.756 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.539 -6.494 -5.253 1.00 0.00 H new ATOM 1297 N THR A 92 3.930 -4.262 -8.104 1.00 0.00 N ATOM 1298 CA THR A 92 3.235 -3.080 -8.586 1.00 0.00 C ATOM 1299 C THR A 92 2.092 -2.710 -7.639 1.00 0.00 C ATOM 1300 O THR A 92 1.025 -3.322 -7.679 1.00 0.00 O ATOM 1301 CB THR A 92 2.773 -3.353 -10.018 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.985 -3.548 -10.742 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.141 -2.124 -10.674 1.00 0.00 C ATOM 0 H THR A 92 3.434 -5.140 -8.257 1.00 0.00 H new ATOM 0 HA THR A 92 3.895 -2.213 -8.603 1.00 0.00 H new ATOM 0 HB THR A 92 2.055 -4.173 -10.018 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.778 -3.733 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.831 -2.372 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.272 -1.809 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.869 -1.313 -10.705 1.00 0.00 H new ATOM 1311 N ILE A 93 2.353 -1.711 -6.808 1.00 0.00 N ATOM 1312 CA ILE A 93 1.359 -1.253 -5.852 1.00 0.00 C ATOM 1313 C ILE A 93 0.537 -0.125 -6.479 1.00 0.00 C ATOM 1314 O ILE A 93 1.080 0.921 -6.831 1.00 0.00 O ATOM 1315 CB ILE A 93 2.025 -0.868 -4.530 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.587 -2.100 -3.819 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.061 -0.082 -3.639 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.063 -2.308 -4.166 1.00 0.00 C ATOM 0 H ILE A 93 3.239 -1.206 -6.777 1.00 0.00 H new ATOM 0 HA ILE A 93 0.664 -2.057 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 93 2.867 -0.212 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.476 -1.984 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.015 -2.982 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.559 0.179 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.751 0.828 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.184 -0.693 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.438 -3.190 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.168 -2.448 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.636 -1.434 -3.856 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.758 -0.376 -6.600 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.660 0.605 -7.178 1.00 0.00 C ATOM 1332 C VAL A 94 -2.480 1.257 -6.063 1.00 0.00 C ATOM 1333 O VAL A 94 -3.444 0.671 -5.572 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.528 -0.051 -8.253 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.329 0.998 -9.027 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.679 -0.902 -9.200 1.00 0.00 C ATOM 0 H VAL A 94 -1.204 -1.245 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.097 1.396 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.237 -0.712 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.937 0.505 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.977 1.542 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.644 1.696 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.321 -1.357 -9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.936 -0.272 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.175 -1.685 -8.633 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.067 2.461 -5.695 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.752 3.199 -4.647 1.00 0.00 C ATOM 1348 C ALA A 95 -3.112 4.594 -5.163 1.00 0.00 C ATOM 1349 O ALA A 95 -2.487 5.094 -6.097 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.869 3.249 -3.398 1.00 0.00 C ATOM 0 H ALA A 95 -1.267 2.944 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.681 2.700 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.382 3.802 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.666 2.234 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.929 3.746 -3.637 1.00 0.00 H new ATOM 1356 N GLN A 96 -4.117 5.182 -4.532 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.568 6.509 -4.915 1.00 0.00 C ATOM 1358 C GLN A 96 -4.521 7.453 -3.712 1.00 0.00 C ATOM 1359 O GLN A 96 -5.006 7.115 -2.634 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.973 6.458 -5.518 1.00 0.00 C ATOM 1361 CG GLN A 96 -7.041 6.489 -4.423 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.446 6.501 -5.029 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -9.248 7.388 -4.785 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.699 5.469 -5.829 1.00 0.00 N ATOM 0 H GLN A 96 -4.632 4.764 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.894 6.894 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.114 7.303 -6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.084 5.552 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.928 5.620 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.902 7.372 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.983 4.761 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.610 5.385 -6.281 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.934 8.619 -3.938 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.818 9.615 -2.886 1.00 0.00 C ATOM 1375 C TYR A 97 -5.171 9.866 -2.217 1.00 0.00 C ATOM 1376 O TYR A 97 -6.218 9.618 -2.814 1.00 0.00 O ATOM 1377 CB TYR A 97 -3.355 10.901 -3.572 1.00 0.00 C ATOM 1378 CG TYR A 97 -2.623 11.873 -2.644 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.351 11.578 -2.200 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -3.236 13.046 -2.252 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.663 12.492 -1.326 1.00 0.00 C ATOM 1382 CE2 TYR A 97 -2.548 13.961 -1.378 1.00 0.00 C ATOM 1383 CZ TYR A 97 -1.295 13.639 -0.958 1.00 0.00 C ATOM 1384 OH TYR A 97 -0.645 14.503 -0.133 1.00 0.00 O ATOM 0 H TYR A 97 -3.534 8.897 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.124 9.280 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.697 10.642 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -4.222 11.405 -3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.871 10.661 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.232 13.278 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.333 12.272 -0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.016 14.882 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.217 15.279 0.044 1.00 0.00 H new ATOM 1394 N ARG A 98 -5.105 10.356 -0.988 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.312 10.644 -0.232 1.00 0.00 C ATOM 1396 C ARG A 98 -5.955 11.137 1.171 1.00 0.00 C ATOM 1397 O ARG A 98 -5.788 10.337 2.091 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.200 9.403 -0.118 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.339 9.448 -1.138 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.674 9.757 -0.456 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.375 10.839 -1.182 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.483 11.447 -0.737 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -12.022 11.084 0.435 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.051 12.420 -1.463 1.00 0.00 N ATOM 0 H ARG A 98 -4.235 10.561 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.859 11.421 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.600 8.507 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.611 9.337 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.127 10.207 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.405 8.492 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.295 8.862 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.503 10.054 0.579 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.991 11.141 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.589 10.345 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.865 11.547 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.640 12.698 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.894 12.883 -1.124 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.845 12.487 1.295 1.00 0.00 N ATOM 1419 CA PRO A 99 -5.510 13.097 2.571 1.00 0.00 C ATOM 1420 C PRO A 99 -6.708 13.072 3.522 1.00 0.00 C ATOM 1421 O PRO A 99 -6.589 12.636 4.666 1.00 0.00 O ATOM 1422 CB PRO A 99 -5.054 14.505 2.226 1.00 0.00 C ATOM 1423 CG PRO A 99 -5.588 14.787 0.831 1.00 0.00 C ATOM 1424 CD PRO A 99 -6.036 13.465 0.228 1.00 0.00 C ATOM 0 HA PRO A 99 -4.726 12.558 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.440 15.228 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.967 14.580 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.421 15.488 0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.817 15.247 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.078 13.507 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.446 13.211 -0.652 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.836 13.547 3.013 1.00 0.00 N ATOM 1433 CA GLU A 100 -9.055 13.585 3.803 1.00 0.00 C ATOM 1434 C GLU A 100 -9.257 12.255 4.532 1.00 0.00 C ATOM 1435 O GLU A 100 -9.313 12.219 5.760 1.00 0.00 O ATOM 1436 CB GLU A 100 -10.265 13.920 2.928 1.00 0.00 C ATOM 1437 CG GLU A 100 -11.086 15.057 3.540 1.00 0.00 C ATOM 1438 CD GLU A 100 -12.102 15.602 2.534 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -13.053 14.853 2.224 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -11.904 16.757 2.097 1.00 0.00 O ATOM 0 H GLU A 100 -7.931 13.908 2.064 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.957 14.374 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.930 14.205 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.891 13.035 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.605 14.698 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.421 15.859 3.861 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.361 11.195 3.744 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.556 9.866 4.300 1.00 0.00 C ATOM 1449 C GLU A 101 -8.497 9.576 5.365 1.00 0.00 C ATOM 1450 O GLU A 101 -8.806 9.522 6.555 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.532 8.803 3.200 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.948 8.478 2.721 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.623 7.467 3.652 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.179 6.299 3.638 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.567 7.887 4.356 1.00 0.00 O ATOM 0 H GLU A 101 -9.314 11.229 2.726 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.538 9.831 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.933 9.156 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.054 7.898 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.541 9.392 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.910 8.077 1.708 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.269 9.397 4.900 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.163 9.113 5.799 1.00 0.00 C ATOM 1464 C TYR A 102 -6.241 9.982 7.056 1.00 0.00 C ATOM 1465 O TYR A 102 -5.890 9.535 8.147 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.891 9.469 5.026 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.598 9.060 5.735 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.453 7.775 6.219 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.577 9.975 5.890 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.236 7.391 6.885 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.360 9.590 6.557 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.249 8.317 7.022 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.100 7.954 7.651 1.00 0.00 O ATOM 0 H TYR A 102 -7.016 9.443 3.913 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.183 8.070 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.925 8.988 4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.873 10.545 4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.252 7.059 6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.690 10.980 5.511 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.109 6.389 7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.553 10.297 6.685 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.045 8.406 8.519 1.00 0.00 H new ATOM 1483 N SER A 103 -6.704 11.208 6.862 1.00 0.00 N ATOM 1484 CA SER A 103 -6.833 12.143 7.966 1.00 0.00 C ATOM 1485 C SER A 103 -7.568 11.478 9.132 1.00 0.00 C ATOM 1486 O SER A 103 -7.424 11.895 10.280 1.00 0.00 O ATOM 1487 CB SER A 103 -7.568 13.412 7.530 1.00 0.00 C ATOM 1488 OG SER A 103 -7.132 14.558 8.258 1.00 0.00 O ATOM 0 H SER A 103 -6.995 11.575 5.956 1.00 0.00 H new ATOM 0 HA SER A 103 -5.832 12.429 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.407 13.576 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.640 13.278 7.673 1.00 0.00 H new ATOM 0 HG SER A 103 -7.623 15.348 7.950 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.339 10.455 8.796 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.097 9.728 9.801 1.00 0.00 C ATOM 1496 C ARG A 104 -8.156 8.908 10.685 1.00 0.00 C ATOM 1497 O ARG A 104 -8.427 8.708 11.868 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.118 8.793 9.151 1.00 0.00 C ATOM 1499 CG ARG A 104 -10.422 7.598 10.057 1.00 0.00 C ATOM 1500 CD ARG A 104 -11.545 6.738 9.472 1.00 0.00 C ATOM 1501 NE ARG A 104 -12.645 6.607 10.453 1.00 0.00 N ATOM 1502 CZ ARG A 104 -13.613 7.519 10.623 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.623 8.632 9.878 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -14.571 7.316 11.537 1.00 0.00 N ATOM 0 H ARG A 104 -8.456 10.112 7.843 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.628 10.460 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.038 9.340 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.735 8.440 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.523 6.994 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.708 7.952 11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.918 7.189 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.161 5.752 9.210 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.668 5.771 11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.894 8.786 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.359 9.326 10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.564 6.468 12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.308 8.010 11.667 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.069 8.455 10.078 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.086 7.662 10.795 1.00 0.00 C ATOM 1520 C PHE A 105 -5.008 8.553 11.415 1.00 0.00 C ATOM 1521 O PHE A 105 -4.487 8.249 12.487 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.433 6.728 9.774 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.319 5.557 9.346 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.806 4.696 10.280 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.620 5.376 8.032 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.629 3.609 9.882 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.443 4.289 7.635 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.930 3.428 8.569 1.00 0.00 C ATOM 0 H PHE A 105 -6.848 8.622 9.097 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.570 7.110 11.600 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.160 7.306 8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.508 6.335 10.196 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.567 4.839 11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.233 6.059 7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.016 2.926 10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.682 4.146 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.556 2.601 8.267 1.00 0.00 H new