USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ -135:sc= 0.286 (180deg=-0.0352) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.547 USER MOD Single : A 11 THR OG1 : rot 141:sc= 0.952 USER MOD Single : A 17 GLN : amide:sc= -0.0912 X(o=-0.091,f=-0.091) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.517 X(o=-0.52,f=-0.28) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -159:sc= 1.23 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.08 K(o=1.1,f=-0.011) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0207 F(o=-1.3,f=-0.021) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.6 K(o=-2.6,f=-4!) USER MOD Single : A 67 GLN :FLIP amide:sc= 0.214 F(o=-0.35,f=0.21) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.0855 USER MOD Single : A 77 HIS : no HE2:sc= -3.3 K(o=-3.3,f=-6.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.938 (180deg=0.927) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0632) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 110:sc= -0.408 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.962 -7.089 1.538 1.00 0.00 N ATOM 145 CA THR A 11 12.052 -8.537 1.572 1.00 0.00 C ATOM 146 C THR A 11 10.939 -9.056 2.488 1.00 0.00 C ATOM 147 O THR A 11 10.228 -8.288 3.136 1.00 0.00 O ATOM 148 CB THR A 11 13.479 -8.961 1.989 1.00 0.00 C ATOM 149 OG1 THR A 11 14.132 -7.973 2.760 1.00 0.00 O ATOM 150 CG2 THR A 11 14.353 -9.073 0.734 1.00 0.00 C ATOM 0 HA THR A 11 11.896 -8.984 0.590 1.00 0.00 H new ATOM 0 HB THR A 11 13.367 -9.890 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.643 -8.403 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.362 -9.372 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.930 -9.819 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.389 -8.108 0.229 1.00 0.00 H new ATOM 158 N ALA A 12 10.741 -10.365 2.517 1.00 0.00 N ATOM 159 CA ALA A 12 9.538 -10.960 3.094 1.00 0.00 C ATOM 160 C ALA A 12 9.607 -10.980 4.613 1.00 0.00 C ATOM 161 O ALA A 12 8.598 -10.704 5.264 1.00 0.00 O ATOM 162 CB ALA A 12 9.308 -12.361 2.523 1.00 0.00 C ATOM 0 H ALA A 12 11.404 -11.045 2.144 1.00 0.00 H new ATOM 0 HA ALA A 12 8.684 -10.340 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.408 -12.790 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.188 -12.298 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.164 -12.994 2.757 1.00 0.00 H new ATOM 168 N ALA A 13 10.790 -11.222 5.173 1.00 0.00 N ATOM 169 CA ALA A 13 11.014 -11.040 6.601 1.00 0.00 C ATOM 170 C ALA A 13 10.849 -9.573 6.968 1.00 0.00 C ATOM 171 O ALA A 13 10.325 -9.224 8.025 1.00 0.00 O ATOM 172 CB ALA A 13 12.433 -11.466 6.970 1.00 0.00 C ATOM 0 H ALA A 13 11.608 -11.545 4.657 1.00 0.00 H new ATOM 0 HA ALA A 13 10.289 -11.649 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.589 -11.325 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.575 -12.517 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.150 -10.860 6.416 1.00 0.00 H new ATOM 178 N GLU A 14 11.311 -8.710 6.071 1.00 0.00 N ATOM 179 CA GLU A 14 11.499 -7.310 6.317 1.00 0.00 C ATOM 180 C GLU A 14 10.145 -6.655 6.361 1.00 0.00 C ATOM 181 O GLU A 14 9.897 -5.829 7.233 1.00 0.00 O ATOM 182 CB GLU A 14 12.325 -6.767 5.138 1.00 0.00 C ATOM 183 CG GLU A 14 13.723 -6.311 5.557 1.00 0.00 C ATOM 184 CD GLU A 14 14.568 -7.493 6.036 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.788 -8.433 5.238 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.008 -7.476 7.208 1.00 0.00 O ATOM 0 H GLU A 14 11.570 -8.988 5.124 1.00 0.00 H new ATOM 0 HA GLU A 14 12.011 -7.115 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.413 -7.540 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.795 -5.930 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.217 -5.824 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.644 -5.570 6.353 1.00 0.00 H new ATOM 193 N ILE A 15 9.272 -7.025 5.431 1.00 0.00 N ATOM 194 CA ILE A 15 7.908 -6.583 5.403 1.00 0.00 C ATOM 195 C ILE A 15 7.188 -7.145 6.601 1.00 0.00 C ATOM 196 O ILE A 15 6.562 -6.361 7.308 1.00 0.00 O ATOM 197 CB ILE A 15 7.254 -6.960 4.064 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.773 -5.972 3.025 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.720 -6.863 4.166 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.362 -6.361 1.600 1.00 0.00 C ATOM 0 H ILE A 15 9.511 -7.654 4.665 1.00 0.00 H new ATOM 0 HA ILE A 15 7.852 -5.496 5.469 1.00 0.00 H new ATOM 0 HB ILE A 15 7.501 -7.986 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.393 -4.976 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.860 -5.920 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.274 -7.133 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.363 -7.544 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.436 -5.842 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.754 -5.628 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.764 -7.346 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.275 -6.386 1.529 1.00 0.00 H new ATOM 212 N GLU A 16 7.280 -8.452 6.851 1.00 0.00 N ATOM 213 CA GLU A 16 6.480 -9.017 7.918 1.00 0.00 C ATOM 214 C GLU A 16 6.792 -8.333 9.236 1.00 0.00 C ATOM 215 O GLU A 16 5.871 -7.885 9.907 1.00 0.00 O ATOM 216 CB GLU A 16 6.724 -10.511 8.081 1.00 0.00 C ATOM 217 CG GLU A 16 5.546 -11.364 7.601 1.00 0.00 C ATOM 218 CD GLU A 16 4.278 -11.008 8.377 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.268 -11.215 9.607 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.335 -10.429 7.795 1.00 0.00 O ATOM 0 H GLU A 16 7.876 -9.109 6.348 1.00 0.00 H new ATOM 0 HA GLU A 16 5.436 -8.857 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.619 -10.791 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.920 -10.729 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.384 -11.205 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.776 -12.421 7.734 1.00 0.00 H new ATOM 227 N GLN A 17 8.067 -8.232 9.609 1.00 0.00 N ATOM 228 CA GLN A 17 8.441 -7.675 10.895 1.00 0.00 C ATOM 229 C GLN A 17 8.395 -6.147 10.832 1.00 0.00 C ATOM 230 O GLN A 17 8.176 -5.482 11.853 1.00 0.00 O ATOM 231 CB GLN A 17 9.815 -8.248 11.227 1.00 0.00 C ATOM 232 CG GLN A 17 10.393 -7.868 12.587 1.00 0.00 C ATOM 233 CD GLN A 17 9.500 -8.371 13.723 1.00 0.00 C ATOM 234 OE1 GLN A 17 9.247 -9.567 13.859 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.954 -7.485 14.531 1.00 0.00 N ATOM 0 H GLN A 17 8.854 -8.531 9.034 1.00 0.00 H new ATOM 0 HA GLN A 17 7.751 -7.944 11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.755 -9.335 11.172 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.515 -7.928 10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.393 -8.290 12.692 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.495 -6.785 12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.164 -6.493 14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.321 -7.791 15.270 1.00 0.00 H new ATOM 244 N GLY A 18 8.510 -5.592 9.625 1.00 0.00 N ATOM 245 CA GLY A 18 8.412 -4.183 9.337 1.00 0.00 C ATOM 246 C GLY A 18 7.020 -3.710 9.681 1.00 0.00 C ATOM 247 O GLY A 18 6.860 -2.646 10.284 1.00 0.00 O ATOM 0 H GLY A 18 8.682 -6.151 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.152 -3.628 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.624 -3.998 8.284 1.00 0.00 H new ATOM 251 N PHE A 19 6.015 -4.524 9.342 1.00 0.00 N ATOM 252 CA PHE A 19 4.634 -4.071 9.295 1.00 0.00 C ATOM 253 C PHE A 19 3.688 -4.960 10.104 1.00 0.00 C ATOM 254 O PHE A 19 2.476 -4.749 10.106 1.00 0.00 O ATOM 255 CB PHE A 19 4.294 -3.838 7.822 1.00 0.00 C ATOM 256 CG PHE A 19 5.247 -2.817 7.204 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.296 -1.499 7.700 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.202 -3.216 6.254 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.248 -0.582 7.216 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.161 -2.306 5.770 1.00 0.00 C ATOM 261 CZ PHE A 19 7.168 -0.979 6.233 1.00 0.00 C ATOM 0 H PHE A 19 6.141 -5.506 9.096 1.00 0.00 H new ATOM 0 HA PHE A 19 4.494 -3.121 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.357 -4.779 7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.267 -3.485 7.732 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.595 -1.189 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.200 -4.233 5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.271 0.427 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.892 -2.628 5.043 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.877 -0.269 5.835 1.00 0.00 H new ATOM 271 N LYS A 20 4.268 -5.826 10.944 1.00 0.00 N ATOM 272 CA LYS A 20 3.645 -6.580 12.035 1.00 0.00 C ATOM 273 C LYS A 20 2.880 -5.691 13.030 1.00 0.00 C ATOM 274 O LYS A 20 2.138 -6.197 13.871 1.00 0.00 O ATOM 275 CB LYS A 20 4.741 -7.456 12.715 1.00 0.00 C ATOM 276 CG LYS A 20 4.449 -8.966 12.618 1.00 0.00 C ATOM 277 CD LYS A 20 5.564 -9.815 13.259 1.00 0.00 C ATOM 278 CE LYS A 20 5.272 -11.326 13.211 1.00 0.00 C ATOM 279 NZ LYS A 20 5.555 -11.943 11.895 1.00 0.00 N ATOM 0 H LYS A 20 5.264 -6.033 10.871 1.00 0.00 H new ATOM 0 HA LYS A 20 2.873 -7.229 11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.705 -7.247 12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.825 -7.174 13.765 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.501 -9.184 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.337 -9.247 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.505 -9.616 12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.695 -9.509 14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.868 -11.827 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.225 -11.493 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.618 -12.976 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.790 -11.710 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.457 -11.578 11.527 1.00 0.00 H new ATOM 293 N ASP A 21 3.005 -4.375 12.897 1.00 0.00 N ATOM 294 CA ASP A 21 2.413 -3.325 13.719 1.00 0.00 C ATOM 295 C ASP A 21 0.944 -3.080 13.383 1.00 0.00 C ATOM 296 O ASP A 21 0.166 -2.642 14.234 1.00 0.00 O ATOM 297 CB ASP A 21 3.141 -2.020 13.377 1.00 0.00 C ATOM 298 CG ASP A 21 2.829 -0.928 14.386 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.588 -0.850 15.382 1.00 0.00 O ATOM 300 OD2 ASP A 21 1.900 -0.118 14.168 1.00 0.00 O ATOM 0 H ASP A 21 3.572 -3.981 12.146 1.00 0.00 H new ATOM 0 HA ASP A 21 2.498 -3.628 14.763 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.216 -2.198 13.352 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.849 -1.690 12.380 1.00 0.00 H new ATOM 305 N VAL A 22 0.547 -3.350 12.142 1.00 0.00 N ATOM 306 CA VAL A 22 -0.774 -3.047 11.593 1.00 0.00 C ATOM 307 C VAL A 22 -1.264 -4.343 10.914 1.00 0.00 C ATOM 308 O VAL A 22 -0.517 -5.330 10.917 1.00 0.00 O ATOM 309 CB VAL A 22 -0.625 -1.754 10.749 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.167 -1.998 9.314 1.00 0.00 C ATOM 311 CG2 VAL A 22 -1.795 -0.755 10.791 1.00 0.00 C ATOM 0 H VAL A 22 1.160 -3.803 11.464 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.566 -2.799 12.300 1.00 0.00 H new ATOM 0 HB VAL A 22 0.182 -1.254 11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.087 -1.045 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.805 -2.491 9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.891 -2.633 8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.564 0.103 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.701 -1.240 10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.950 -0.419 11.816 1.00 0.00 H new ATOM 321 N PRO A 23 -2.510 -4.440 10.429 1.00 0.00 N ATOM 322 CA PRO A 23 -3.018 -5.679 9.877 1.00 0.00 C ATOM 323 C PRO A 23 -2.457 -5.896 8.471 1.00 0.00 C ATOM 324 O PRO A 23 -1.777 -5.039 7.896 1.00 0.00 O ATOM 325 CB PRO A 23 -4.537 -5.513 9.875 1.00 0.00 C ATOM 326 CG PRO A 23 -4.716 -4.031 9.602 1.00 0.00 C ATOM 327 CD PRO A 23 -3.471 -3.381 10.206 1.00 0.00 C ATOM 0 HA PRO A 23 -2.723 -6.556 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.009 -6.125 9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.976 -5.804 10.829 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.791 -3.830 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.627 -3.649 10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.064 -2.626 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.714 -2.877 11.141 1.00 0.00 H new ATOM 335 N SER A 24 -2.818 -7.031 7.892 1.00 0.00 N ATOM 336 CA SER A 24 -2.509 -7.381 6.521 1.00 0.00 C ATOM 337 C SER A 24 -3.755 -7.989 5.879 1.00 0.00 C ATOM 338 O SER A 24 -4.696 -8.353 6.588 1.00 0.00 O ATOM 339 CB SER A 24 -1.325 -8.352 6.506 1.00 0.00 C ATOM 340 OG SER A 24 -1.607 -9.547 7.204 1.00 0.00 O ATOM 0 H SER A 24 -3.349 -7.752 8.380 1.00 0.00 H new ATOM 0 HA SER A 24 -2.224 -6.500 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.064 -8.589 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.455 -7.869 6.952 1.00 0.00 H new ATOM 0 HG SER A 24 -0.827 -10.139 7.168 1.00 0.00 H new ATOM 346 N PHE A 25 -3.767 -8.150 4.558 1.00 0.00 N ATOM 347 CA PHE A 25 -4.871 -8.762 3.834 1.00 0.00 C ATOM 348 C PHE A 25 -4.308 -9.745 2.825 1.00 0.00 C ATOM 349 O PHE A 25 -3.166 -9.586 2.386 1.00 0.00 O ATOM 350 CB PHE A 25 -5.659 -7.650 3.148 1.00 0.00 C ATOM 351 CG PHE A 25 -6.750 -8.084 2.188 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.795 -8.918 2.625 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.713 -7.659 0.846 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.786 -9.330 1.720 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.705 -8.071 -0.057 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.740 -8.910 0.381 1.00 0.00 C ATOM 0 H PHE A 25 -2.999 -7.854 3.955 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.537 -9.306 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.112 -7.027 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.956 -7.021 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.835 -9.241 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.916 -7.012 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.587 -9.972 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.672 -7.743 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.502 -9.233 -0.312 1.00 0.00 H new ATOM 366 N VAL A 26 -5.116 -10.731 2.449 1.00 0.00 N ATOM 367 CA VAL A 26 -4.780 -11.767 1.501 1.00 0.00 C ATOM 368 C VAL A 26 -5.971 -11.966 0.564 1.00 0.00 C ATOM 369 O VAL A 26 -7.096 -12.142 1.041 1.00 0.00 O ATOM 370 CB VAL A 26 -4.326 -13.033 2.255 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.467 -13.868 2.847 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.463 -13.917 1.346 1.00 0.00 C ATOM 0 H VAL A 26 -6.062 -10.827 2.818 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.933 -11.491 0.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.746 -12.667 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.054 -14.738 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.030 -13.263 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.129 -14.198 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.151 -14.806 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.042 -14.214 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.582 -13.360 1.026 1.00 0.00 H new ATOM 382 N HIS A 27 -5.745 -11.964 -0.751 1.00 0.00 N ATOM 383 CA HIS A 27 -6.743 -12.413 -1.712 1.00 0.00 C ATOM 384 C HIS A 27 -6.253 -13.578 -2.576 1.00 0.00 C ATOM 385 O HIS A 27 -5.122 -14.037 -2.467 1.00 0.00 O ATOM 386 CB HIS A 27 -7.311 -11.223 -2.495 1.00 0.00 C ATOM 387 CG HIS A 27 -6.348 -10.279 -3.158 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.702 -9.049 -3.649 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.005 -10.438 -3.358 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.588 -8.473 -4.122 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.518 -9.263 -3.930 1.00 0.00 N ATOM 0 H HIS A 27 -4.870 -11.653 -1.173 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.582 -12.840 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.973 -11.618 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.930 -10.641 -1.812 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.639 -8.647 -3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.425 -11.316 -3.116 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.555 -7.503 -4.595 1.00 0.00 H new ATOM 399 N GLU A 28 -7.133 -14.080 -3.425 1.00 0.00 N ATOM 400 CA GLU A 28 -7.063 -15.368 -4.126 1.00 0.00 C ATOM 401 C GLU A 28 -6.130 -15.356 -5.355 1.00 0.00 C ATOM 402 O GLU A 28 -6.381 -16.043 -6.349 1.00 0.00 O ATOM 403 CB GLU A 28 -8.513 -15.772 -4.463 1.00 0.00 C ATOM 404 CG GLU A 28 -8.680 -17.253 -4.841 1.00 0.00 C ATOM 405 CD GLU A 28 -10.132 -17.700 -4.739 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.981 -17.193 -5.509 1.00 0.00 O ATOM 407 OE2 GLU A 28 -10.431 -18.577 -3.894 1.00 0.00 O ATOM 0 H GLU A 28 -7.981 -13.567 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.603 -16.116 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.149 -15.553 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.868 -15.155 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.321 -17.412 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.063 -17.868 -4.186 1.00 0.00 H new ATOM 414 N GLY A 29 -5.053 -14.567 -5.331 1.00 0.00 N ATOM 415 CA GLY A 29 -4.299 -14.259 -6.540 1.00 0.00 C ATOM 416 C GLY A 29 -5.159 -13.448 -7.509 1.00 0.00 C ATOM 417 O GLY A 29 -6.256 -13.008 -7.157 1.00 0.00 O ATOM 0 H GLY A 29 -4.686 -14.131 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.400 -13.698 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.972 -15.182 -7.018 1.00 0.00 H new ATOM 421 N GLY A 30 -4.662 -13.260 -8.732 1.00 0.00 N ATOM 422 CA GLY A 30 -5.288 -12.415 -9.724 1.00 0.00 C ATOM 423 C GLY A 30 -4.909 -10.963 -9.466 1.00 0.00 C ATOM 424 O GLY A 30 -4.868 -10.531 -8.319 1.00 0.00 O ATOM 0 H GLY A 30 -3.801 -13.701 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.971 -12.713 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.371 -12.532 -9.685 1.00 0.00 H new ATOM 428 N ASP A 31 -4.605 -10.199 -10.518 1.00 0.00 N ATOM 429 CA ASP A 31 -4.358 -8.762 -10.372 1.00 0.00 C ATOM 430 C ASP A 31 -5.635 -8.019 -10.010 1.00 0.00 C ATOM 431 O ASP A 31 -6.733 -8.415 -10.426 1.00 0.00 O ATOM 432 CB ASP A 31 -3.744 -8.122 -11.611 1.00 0.00 C ATOM 433 CG ASP A 31 -4.775 -7.966 -12.732 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.049 -8.947 -13.454 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.411 -6.895 -12.837 1.00 0.00 O ATOM 0 H ASP A 31 -4.524 -10.548 -11.473 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.633 -8.675 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.336 -7.145 -11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.912 -8.732 -11.963 1.00 0.00 H new ATOM 440 N VAL A 32 -5.483 -6.941 -9.233 1.00 0.00 N ATOM 441 CA VAL A 32 -6.585 -6.308 -8.520 1.00 0.00 C ATOM 442 C VAL A 32 -6.131 -4.899 -8.181 1.00 0.00 C ATOM 443 O VAL A 32 -4.998 -4.737 -7.741 1.00 0.00 O ATOM 444 CB VAL A 32 -6.910 -7.100 -7.239 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.781 -6.351 -6.208 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.604 -8.451 -7.478 1.00 0.00 C ATOM 0 H VAL A 32 -4.583 -6.484 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.490 -6.286 -9.126 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.906 -7.250 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.954 -6.992 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.269 -5.443 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.737 -6.088 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.794 -8.937 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.549 -8.288 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.962 -9.087 -8.087 1.00 0.00 H new ATOM 456 N PRO A 33 -6.971 -3.881 -8.383 1.00 0.00 N ATOM 457 CA PRO A 33 -6.543 -2.503 -8.353 1.00 0.00 C ATOM 458 C PRO A 33 -6.328 -1.997 -6.938 1.00 0.00 C ATOM 459 O PRO A 33 -7.039 -2.384 -5.999 1.00 0.00 O ATOM 460 CB PRO A 33 -7.631 -1.752 -9.122 1.00 0.00 C ATOM 461 CG PRO A 33 -8.887 -2.553 -8.806 1.00 0.00 C ATOM 462 CD PRO A 33 -8.354 -3.985 -8.791 1.00 0.00 C ATOM 0 HA PRO A 33 -5.566 -2.356 -8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.718 -0.717 -8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.426 -1.728 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.322 -2.269 -7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.661 -2.413 -9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.921 -4.607 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.439 -4.445 -9.776 1.00 0.00 H new ATOM 470 N LEU A 34 -5.391 -1.046 -6.816 1.00 0.00 N ATOM 471 CA LEU A 34 -5.060 -0.415 -5.552 1.00 0.00 C ATOM 472 C LEU A 34 -6.321 0.019 -4.772 1.00 0.00 C ATOM 473 O LEU A 34 -6.438 -0.245 -3.577 1.00 0.00 O ATOM 474 CB LEU A 34 -3.929 0.624 -5.676 1.00 0.00 C ATOM 475 CG LEU A 34 -3.844 1.671 -6.805 1.00 0.00 C ATOM 476 CD1 LEU A 34 -5.168 2.113 -7.440 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.932 2.852 -6.447 1.00 0.00 C ATOM 0 H LEU A 34 -4.844 -0.698 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.611 -1.169 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.925 1.183 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.998 0.058 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.369 1.115 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.970 2.850 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.668 1.249 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.808 2.555 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.909 3.558 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.315 3.351 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.923 2.487 -6.253 1.00 0.00 H new ATOM 489 N VAL A 35 -7.311 0.572 -5.480 1.00 0.00 N ATOM 490 CA VAL A 35 -8.582 1.131 -5.000 1.00 0.00 C ATOM 491 C VAL A 35 -9.620 0.096 -4.587 1.00 0.00 C ATOM 492 O VAL A 35 -10.625 0.458 -3.973 1.00 0.00 O ATOM 493 CB VAL A 35 -9.109 2.068 -6.112 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.802 1.326 -7.265 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.003 3.187 -5.577 1.00 0.00 C ATOM 0 H VAL A 35 -7.238 0.647 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.394 1.674 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.211 2.529 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.146 2.047 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.098 0.635 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.655 0.769 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.341 3.810 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.867 2.753 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.440 3.797 -4.871 1.00 0.00 H new ATOM 505 N GLU A 36 -9.398 -1.178 -4.887 1.00 0.00 N ATOM 506 CA GLU A 36 -10.172 -2.245 -4.292 1.00 0.00 C ATOM 507 C GLU A 36 -9.373 -2.825 -3.151 1.00 0.00 C ATOM 508 O GLU A 36 -9.944 -3.031 -2.088 1.00 0.00 O ATOM 509 CB GLU A 36 -10.507 -3.325 -5.320 1.00 0.00 C ATOM 510 CG GLU A 36 -11.532 -2.809 -6.329 1.00 0.00 C ATOM 511 CD GLU A 36 -12.884 -2.437 -5.725 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.493 -3.249 -4.994 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.412 -1.379 -6.126 1.00 0.00 O ATOM 0 H GLU A 36 -8.683 -1.492 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.119 -1.849 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.600 -3.633 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.899 -4.207 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.120 -1.934 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.687 -3.571 -7.093 1.00 0.00 H new ATOM 520 N LEU A 37 -8.066 -3.063 -3.304 1.00 0.00 N ATOM 521 CA LEU A 37 -7.372 -3.883 -2.341 1.00 0.00 C ATOM 522 C LEU A 37 -7.119 -3.088 -1.086 1.00 0.00 C ATOM 523 O LEU A 37 -6.984 -3.721 -0.052 1.00 0.00 O ATOM 524 CB LEU A 37 -6.129 -4.574 -2.915 1.00 0.00 C ATOM 525 CG LEU A 37 -4.997 -3.704 -3.489 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.231 -2.884 -2.442 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.036 -4.659 -4.202 1.00 0.00 C ATOM 0 H LEU A 37 -7.492 -2.705 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.016 -4.719 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.702 -5.194 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.461 -5.248 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.439 -2.964 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.452 -2.301 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.920 -2.211 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.776 -3.557 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.210 -4.091 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.646 -5.384 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.567 -5.183 -4.997 1.00 0.00 H new ATOM 539 N LEU A 38 -7.148 -1.745 -1.104 1.00 0.00 N ATOM 540 CA LEU A 38 -7.053 -1.009 0.127 1.00 0.00 C ATOM 541 C LEU A 38 -8.391 -1.022 0.856 1.00 0.00 C ATOM 542 O LEU A 38 -8.437 -0.967 2.077 1.00 0.00 O ATOM 543 CB LEU A 38 -6.500 0.415 -0.051 1.00 0.00 C ATOM 544 CG LEU A 38 -7.533 1.564 -0.148 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.854 2.863 0.269 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.101 1.651 -1.561 1.00 0.00 C ATOM 0 H LEU A 38 -7.235 -1.175 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.317 -1.519 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.835 0.627 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.890 0.431 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.372 1.374 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.569 3.684 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.494 2.773 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.013 3.063 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.826 2.464 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.293 1.840 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.591 0.711 -1.815 1.00 0.00 H new ATOM 558 N VAL A 39 -9.483 -1.028 0.104 1.00 0.00 N ATOM 559 CA VAL A 39 -10.858 -0.999 0.589 1.00 0.00 C ATOM 560 C VAL A 39 -11.153 -2.355 1.241 1.00 0.00 C ATOM 561 O VAL A 39 -11.520 -2.423 2.415 1.00 0.00 O ATOM 562 CB VAL A 39 -11.733 -0.592 -0.626 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.867 -1.525 -1.071 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.328 0.803 -0.426 1.00 0.00 C ATOM 0 H VAL A 39 -9.432 -1.055 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.070 -0.271 1.372 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.003 -0.646 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.378 -1.092 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.453 -2.495 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.577 -1.651 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.937 1.066 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.948 0.809 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.523 1.529 -0.315 1.00 0.00 H new ATOM 574 N SER A 40 -10.857 -3.432 0.519 1.00 0.00 N ATOM 575 CA SER A 40 -10.925 -4.808 0.935 1.00 0.00 C ATOM 576 C SER A 40 -9.930 -5.076 2.063 1.00 0.00 C ATOM 577 O SER A 40 -10.249 -5.829 2.989 1.00 0.00 O ATOM 578 CB SER A 40 -10.615 -5.662 -0.293 1.00 0.00 C ATOM 579 OG SER A 40 -11.784 -6.163 -0.910 1.00 0.00 O ATOM 0 H SER A 40 -10.540 -3.346 -0.447 1.00 0.00 H new ATOM 0 HA SER A 40 -11.914 -5.051 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.054 -5.067 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.976 -6.495 -0.001 1.00 0.00 H new ATOM 0 HG SER A 40 -11.537 -6.701 -1.691 1.00 0.00 H new ATOM 585 N ALA A 41 -8.745 -4.445 2.036 1.00 0.00 N ATOM 586 CA ALA A 41 -7.828 -4.644 3.150 1.00 0.00 C ATOM 587 C ALA A 41 -8.227 -3.800 4.361 1.00 0.00 C ATOM 588 O ALA A 41 -7.934 -4.195 5.489 1.00 0.00 O ATOM 589 CB ALA A 41 -6.383 -4.422 2.713 1.00 0.00 C ATOM 0 H ALA A 41 -8.418 -3.826 1.294 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.898 -5.683 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.718 -4.577 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.130 -5.127 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.267 -3.403 2.342 1.00 0.00 H new ATOM 595 N GLY A 42 -8.980 -2.715 4.170 1.00 0.00 N ATOM 596 CA GLY A 42 -9.605 -1.978 5.256 1.00 0.00 C ATOM 597 C GLY A 42 -8.730 -0.821 5.704 1.00 0.00 C ATOM 598 O GLY A 42 -8.738 -0.426 6.871 1.00 0.00 O ATOM 0 H GLY A 42 -9.171 -2.325 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.575 -1.601 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.787 -2.647 6.097 1.00 0.00 H new ATOM 602 N ILE A 43 -8.008 -0.245 4.750 1.00 0.00 N ATOM 603 CA ILE A 43 -7.149 0.906 4.898 1.00 0.00 C ATOM 604 C ILE A 43 -8.131 2.079 4.914 1.00 0.00 C ATOM 605 O ILE A 43 -8.109 2.843 5.876 1.00 0.00 O ATOM 606 CB ILE A 43 -6.180 0.984 3.686 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.048 -0.067 3.569 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.448 2.341 3.622 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.420 -1.483 3.986 1.00 0.00 C ATOM 0 H ILE A 43 -8.013 -0.599 3.793 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.522 0.886 5.790 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.888 0.800 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.704 -0.090 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.206 0.263 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.780 2.354 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.179 3.144 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.867 2.484 4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.556 -2.137 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.733 -1.485 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.238 -1.843 3.362 1.00 0.00 H new ATOM 621 N SER A 44 -9.022 2.186 3.913 1.00 0.00 N ATOM 622 CA SER A 44 -9.901 3.342 3.757 1.00 0.00 C ATOM 623 C SER A 44 -11.211 2.813 3.197 1.00 0.00 C ATOM 624 O SER A 44 -11.264 2.509 2.013 1.00 0.00 O ATOM 625 CB SER A 44 -9.207 4.401 2.887 1.00 0.00 C ATOM 626 OG SER A 44 -8.053 4.858 3.578 1.00 0.00 O ATOM 0 H SER A 44 -9.147 1.472 3.195 1.00 0.00 H new ATOM 0 HA SER A 44 -10.118 3.852 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.929 3.977 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.884 5.232 2.687 1.00 0.00 H new ATOM 0 HG SER A 44 -7.787 5.734 3.228 1.00 0.00 H new ATOM 632 N PRO A 45 -12.246 2.618 4.033 1.00 0.00 N ATOM 633 CA PRO A 45 -13.445 1.889 3.635 1.00 0.00 C ATOM 634 C PRO A 45 -14.396 2.728 2.782 1.00 0.00 C ATOM 635 O PRO A 45 -15.307 2.197 2.149 1.00 0.00 O ATOM 636 CB PRO A 45 -14.122 1.511 4.957 1.00 0.00 C ATOM 637 CG PRO A 45 -13.740 2.651 5.897 1.00 0.00 C ATOM 638 CD PRO A 45 -12.324 2.998 5.439 1.00 0.00 C ATOM 0 HA PRO A 45 -13.186 1.030 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.203 1.430 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.767 0.550 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.417 3.500 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.764 2.341 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.124 4.062 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.581 2.461 6.029 1.00 0.00 H new ATOM 646 N SER A 46 -14.245 4.050 2.801 1.00 0.00 N ATOM 647 CA SER A 46 -15.181 4.930 2.132 1.00 0.00 C ATOM 648 C SER A 46 -14.637 5.128 0.730 1.00 0.00 C ATOM 649 O SER A 46 -13.588 5.747 0.610 1.00 0.00 O ATOM 650 CB SER A 46 -15.333 6.215 2.937 1.00 0.00 C ATOM 651 OG SER A 46 -16.197 7.142 2.310 1.00 0.00 O ATOM 0 H SER A 46 -13.480 4.530 3.275 1.00 0.00 H new ATOM 0 HA SER A 46 -16.189 4.522 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.718 5.977 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.353 6.672 3.076 1.00 0.00 H new ATOM 0 HG SER A 46 -16.266 7.949 2.861 1.00 0.00 H new ATOM 657 N LYS A 47 -15.267 4.573 -0.311 1.00 0.00 N ATOM 658 CA LYS A 47 -14.662 4.508 -1.646 1.00 0.00 C ATOM 659 C LYS A 47 -14.158 5.854 -2.168 1.00 0.00 C ATOM 660 O LYS A 47 -13.086 5.866 -2.761 1.00 0.00 O ATOM 661 CB LYS A 47 -15.593 3.808 -2.652 1.00 0.00 C ATOM 662 CG LYS A 47 -15.355 2.291 -2.610 1.00 0.00 C ATOM 663 CD LYS A 47 -16.268 1.517 -3.566 1.00 0.00 C ATOM 664 CE LYS A 47 -15.764 0.072 -3.640 1.00 0.00 C ATOM 665 NZ LYS A 47 -16.660 -0.805 -4.416 1.00 0.00 N ATOM 0 H LYS A 47 -16.198 4.161 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.767 3.896 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.633 4.029 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.409 4.187 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.315 2.085 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.514 1.932 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.299 1.543 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.259 1.975 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.772 0.060 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.660 -0.324 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.272 -1.770 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.601 -0.819 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.740 -0.446 -5.389 1.00 0.00 H new ATOM 679 N ARG A 48 -14.826 6.990 -1.928 1.00 0.00 N ATOM 680 CA ARG A 48 -14.260 8.289 -2.326 1.00 0.00 C ATOM 681 C ARG A 48 -12.986 8.580 -1.533 1.00 0.00 C ATOM 682 O ARG A 48 -11.992 9.040 -2.097 1.00 0.00 O ATOM 683 CB ARG A 48 -15.268 9.440 -2.139 1.00 0.00 C ATOM 684 CG ARG A 48 -15.175 10.547 -3.207 1.00 0.00 C ATOM 685 CD ARG A 48 -13.787 11.072 -3.625 1.00 0.00 C ATOM 686 NE ARG A 48 -12.992 11.648 -2.518 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.701 12.939 -2.295 1.00 0.00 C ATOM 688 NH1 ARG A 48 -13.164 13.889 -3.102 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.949 13.281 -1.252 1.00 0.00 N ATOM 0 H ARG A 48 -15.737 7.039 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.021 8.225 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.277 9.028 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.114 9.886 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.671 10.179 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.754 11.398 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.223 10.254 -4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.916 11.831 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.619 10.982 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.747 13.640 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.936 14.867 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.594 12.562 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.728 14.262 -1.083 1.00 0.00 H new ATOM 703 N GLN A 49 -13.020 8.378 -0.216 1.00 0.00 N ATOM 704 CA GLN A 49 -11.866 8.615 0.640 1.00 0.00 C ATOM 705 C GLN A 49 -10.728 7.746 0.138 1.00 0.00 C ATOM 706 O GLN A 49 -9.653 8.254 -0.142 1.00 0.00 O ATOM 707 CB GLN A 49 -12.210 8.288 2.105 1.00 0.00 C ATOM 708 CG GLN A 49 -11.507 9.182 3.134 1.00 0.00 C ATOM 709 CD GLN A 49 -10.004 8.933 3.201 1.00 0.00 C ATOM 710 OE1 GLN A 49 -9.559 8.038 3.910 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.213 9.705 2.472 1.00 0.00 N ATOM 0 H GLN A 49 -13.846 8.047 0.282 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.572 9.664 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.288 8.376 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.947 7.249 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.687 10.228 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.944 9.010 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.614 10.442 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.203 9.563 2.491 1.00 0.00 H new ATOM 720 N ALA A 50 -11.010 6.456 -0.036 1.00 0.00 N ATOM 721 CA ALA A 50 -10.108 5.453 -0.541 1.00 0.00 C ATOM 722 C ALA A 50 -9.500 5.904 -1.865 1.00 0.00 C ATOM 723 O ALA A 50 -8.291 5.832 -2.057 1.00 0.00 O ATOM 724 CB ALA A 50 -10.860 4.130 -0.711 1.00 0.00 C ATOM 0 H ALA A 50 -11.929 6.073 0.188 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.295 5.308 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.178 3.370 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.256 3.810 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.682 4.266 -1.414 1.00 0.00 H new ATOM 730 N ARG A 51 -10.346 6.395 -2.774 1.00 0.00 N ATOM 731 CA ARG A 51 -9.917 6.896 -4.060 1.00 0.00 C ATOM 732 C ARG A 51 -8.903 7.992 -3.909 1.00 0.00 C ATOM 733 O ARG A 51 -7.888 7.915 -4.581 1.00 0.00 O ATOM 734 CB ARG A 51 -11.093 7.390 -4.914 1.00 0.00 C ATOM 735 CG ARG A 51 -11.520 6.327 -5.918 1.00 0.00 C ATOM 736 CD ARG A 51 -12.604 6.884 -6.834 1.00 0.00 C ATOM 737 NE ARG A 51 -12.722 6.058 -8.041 1.00 0.00 N ATOM 738 CZ ARG A 51 -13.806 5.430 -8.500 1.00 0.00 C ATOM 739 NH1 ARG A 51 -14.970 5.504 -7.864 1.00 0.00 N ATOM 740 NH2 ARG A 51 -13.694 4.717 -9.611 1.00 0.00 N ATOM 0 H ARG A 51 -11.354 6.452 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.455 6.055 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.934 7.646 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.808 8.300 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.662 6.007 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.892 5.447 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.558 6.909 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.365 7.911 -7.109 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.873 5.951 -8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.048 6.050 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.785 5.015 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.796 4.659 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.506 4.226 -9.986 1.00 0.00 H new ATOM 754 N GLU A 52 -9.132 8.983 -3.057 1.00 0.00 N ATOM 755 CA GLU A 52 -8.115 10.020 -2.899 1.00 0.00 C ATOM 756 C GLU A 52 -6.893 9.465 -2.200 1.00 0.00 C ATOM 757 O GLU A 52 -5.772 9.791 -2.577 1.00 0.00 O ATOM 758 CB GLU A 52 -8.676 11.232 -2.162 1.00 0.00 C ATOM 759 CG GLU A 52 -7.652 12.378 -2.131 1.00 0.00 C ATOM 760 CD GLU A 52 -8.236 13.587 -1.412 1.00 0.00 C ATOM 761 OE1 GLU A 52 -8.625 13.471 -0.225 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.357 14.662 -2.048 1.00 0.00 O ATOM 0 H GLU A 52 -9.971 9.093 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.811 10.354 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.590 11.569 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.944 10.951 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.743 12.050 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.371 12.652 -3.148 1.00 0.00 H new ATOM 769 N ASP A 53 -7.096 8.559 -1.257 1.00 0.00 N ATOM 770 CA ASP A 53 -6.049 7.822 -0.604 1.00 0.00 C ATOM 771 C ASP A 53 -5.257 6.950 -1.566 1.00 0.00 C ATOM 772 O ASP A 53 -4.188 6.483 -1.186 1.00 0.00 O ATOM 773 CB ASP A 53 -6.673 6.988 0.513 1.00 0.00 C ATOM 774 CG ASP A 53 -6.627 7.663 1.882 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.579 8.916 1.990 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.549 6.901 2.870 1.00 0.00 O ATOM 0 H ASP A 53 -8.028 8.315 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.331 8.529 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.711 6.774 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.155 6.031 0.572 1.00 0.00 H new ATOM 781 N ILE A 54 -5.754 6.760 -2.790 1.00 0.00 N ATOM 782 CA ILE A 54 -5.107 6.082 -3.887 1.00 0.00 C ATOM 783 C ILE A 54 -4.619 6.999 -4.989 1.00 0.00 C ATOM 784 O ILE A 54 -3.697 6.620 -5.695 1.00 0.00 O ATOM 785 CB ILE A 54 -6.038 4.983 -4.447 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.395 3.647 -4.094 1.00 0.00 C ATOM 787 CG2 ILE A 54 -6.335 5.050 -5.960 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.360 3.401 -2.597 1.00 0.00 C ATOM 0 H ILE A 54 -6.680 7.103 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.203 5.630 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.018 5.127 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.946 2.842 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.379 3.620 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.997 4.230 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.815 6.000 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.402 4.967 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.893 2.437 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.785 4.190 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.377 3.399 -2.205 1.00 0.00 H new ATOM 800 N GLN A 55 -5.267 8.137 -5.208 1.00 0.00 N ATOM 801 CA GLN A 55 -4.936 9.097 -6.239 1.00 0.00 C ATOM 802 C GLN A 55 -3.938 10.106 -5.711 1.00 0.00 C ATOM 803 O GLN A 55 -3.454 10.932 -6.487 1.00 0.00 O ATOM 804 CB GLN A 55 -6.192 9.860 -6.647 1.00 0.00 C ATOM 805 CG GLN A 55 -7.151 9.018 -7.488 1.00 0.00 C ATOM 806 CD GLN A 55 -8.477 9.756 -7.637 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.165 10.033 -6.658 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.869 10.128 -8.844 1.00 0.00 N ATOM 0 H GLN A 55 -6.069 8.422 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.515 8.559 -7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.709 10.205 -5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.905 10.747 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.718 8.825 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.313 8.050 -7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.299 9.899 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.741 10.644 -8.961 1.00 0.00 H new ATOM 817 N ASN A 56 -3.673 10.106 -4.404 1.00 0.00 N ATOM 818 CA ASN A 56 -2.724 11.050 -3.841 1.00 0.00 C ATOM 819 C ASN A 56 -1.394 10.400 -3.619 1.00 0.00 C ATOM 820 O ASN A 56 -1.288 9.259 -3.187 1.00 0.00 O ATOM 821 CB ASN A 56 -3.208 11.715 -2.545 1.00 0.00 C ATOM 822 CG ASN A 56 -4.190 12.860 -2.808 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.744 12.985 -4.005 1.00 0.00 O flip ATOM 824 ND2 ASN A 56 -4.449 13.683 -1.935 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.098 9.470 -3.729 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.626 11.845 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.687 10.967 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.349 12.096 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.028 13.595 -1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.086 14.455 -2.134 1.00 0.00 H new ATOM 831 N GLY A 57 -0.362 11.207 -3.791 1.00 0.00 N ATOM 832 CA GLY A 57 1.009 10.856 -3.497 1.00 0.00 C ATOM 833 C GLY A 57 1.263 10.601 -2.012 1.00 0.00 C ATOM 834 O GLY A 57 2.419 10.553 -1.610 1.00 0.00 O ATOM 0 H GLY A 57 -0.463 12.156 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.278 9.964 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.663 11.659 -3.838 1.00 0.00 H new ATOM 838 N ALA A 58 0.218 10.488 -1.191 1.00 0.00 N ATOM 839 CA ALA A 58 0.278 10.071 0.187 1.00 0.00 C ATOM 840 C ALA A 58 0.264 8.546 0.288 1.00 0.00 C ATOM 841 O ALA A 58 0.445 8.053 1.393 1.00 0.00 O ATOM 842 CB ALA A 58 -0.915 10.666 0.940 1.00 0.00 C ATOM 0 H ALA A 58 -0.733 10.698 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 58 1.206 10.429 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.878 10.356 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.875 11.754 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.843 10.313 0.489 1.00 0.00 H new ATOM 848 N ILE A 59 0.023 7.788 -0.787 1.00 0.00 N ATOM 849 CA ILE A 59 0.170 6.337 -0.814 1.00 0.00 C ATOM 850 C ILE A 59 1.515 6.028 -1.462 1.00 0.00 C ATOM 851 O ILE A 59 1.712 5.936 -2.678 1.00 0.00 O ATOM 852 CB ILE A 59 -1.119 5.692 -1.321 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.237 4.174 -1.209 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.571 6.202 -2.701 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.385 3.404 -2.210 1.00 0.00 C ATOM 0 H ILE A 59 -0.285 8.178 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 59 0.252 5.850 0.158 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.831 6.055 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.954 3.873 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.281 3.891 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.492 5.697 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.746 7.277 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.795 5.994 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.528 2.334 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.682 3.673 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.666 3.654 -2.062 1.00 0.00 H new ATOM 867 N TYR A 60 2.487 5.964 -0.565 1.00 0.00 N ATOM 868 CA TYR A 60 3.823 5.517 -0.812 1.00 0.00 C ATOM 869 C TYR A 60 3.791 3.997 -0.716 1.00 0.00 C ATOM 870 O TYR A 60 3.828 3.431 0.373 1.00 0.00 O ATOM 871 CB TYR A 60 4.758 6.216 0.181 1.00 0.00 C ATOM 872 CG TYR A 60 4.573 7.723 0.342 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.252 8.607 -0.512 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.742 8.252 1.354 1.00 0.00 C ATOM 875 CE1 TYR A 60 5.152 9.999 -0.336 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.651 9.640 1.553 1.00 0.00 C ATOM 877 CZ TYR A 60 4.362 10.520 0.710 1.00 0.00 C ATOM 878 OH TYR A 60 4.293 11.861 0.923 1.00 0.00 O ATOM 0 H TYR A 60 2.342 6.241 0.406 1.00 0.00 H new ATOM 0 HA TYR A 60 4.208 5.773 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.629 5.750 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.786 6.029 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.859 8.213 -1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.171 7.583 1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.679 10.668 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.037 10.033 2.350 1.00 0.00 H new ATOM 0 HH TYR A 60 3.702 12.041 1.684 1.00 0.00 H new ATOM 888 N VAL A 61 3.663 3.304 -1.839 1.00 0.00 N ATOM 889 CA VAL A 61 3.656 1.848 -1.825 1.00 0.00 C ATOM 890 C VAL A 61 5.126 1.484 -1.694 1.00 0.00 C ATOM 891 O VAL A 61 5.936 2.056 -2.415 1.00 0.00 O ATOM 892 CB VAL A 61 3.015 1.302 -3.124 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.909 1.425 -4.364 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.628 -0.171 -2.977 1.00 0.00 C ATOM 0 H VAL A 61 3.563 3.722 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 61 3.065 1.416 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 61 2.135 1.928 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.387 1.020 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.145 2.475 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.832 0.868 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.181 -0.524 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.518 -0.761 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.910 -0.279 -2.164 1.00 0.00 H new ATOM 904 N ASN A 62 5.523 0.541 -0.829 1.00 0.00 N ATOM 905 CA ASN A 62 6.914 0.058 -0.875 1.00 0.00 C ATOM 906 C ASN A 62 7.932 1.205 -0.633 1.00 0.00 C ATOM 907 O ASN A 62 9.109 1.096 -0.983 1.00 0.00 O ATOM 908 CB ASN A 62 7.078 -0.677 -2.226 1.00 0.00 C ATOM 909 CG ASN A 62 6.928 -2.164 -2.087 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.896 -2.890 -2.085 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.710 -2.662 -1.988 1.00 0.00 N ATOM 0 H ASN A 62 4.932 0.111 -0.117 1.00 0.00 H new ATOM 0 HA ASN A 62 7.129 -0.640 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.337 -0.304 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.059 -0.450 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.576 -3.670 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.902 -2.039 -1.991 1.00 0.00 H new ATOM 918 N GLY A 63 7.489 2.319 -0.034 1.00 0.00 N ATOM 919 CA GLY A 63 8.274 3.529 0.204 1.00 0.00 C ATOM 920 C GLY A 63 8.250 4.535 -0.954 1.00 0.00 C ATOM 921 O GLY A 63 8.954 5.539 -0.882 1.00 0.00 O ATOM 0 H GLY A 63 6.533 2.401 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.901 4.019 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.308 3.245 0.401 1.00 0.00 H new ATOM 925 N GLU A 64 7.451 4.317 -2.001 1.00 0.00 N ATOM 926 CA GLU A 64 7.544 4.983 -3.293 1.00 0.00 C ATOM 927 C GLU A 64 6.146 5.483 -3.666 1.00 0.00 C ATOM 928 O GLU A 64 5.199 4.704 -3.733 1.00 0.00 O ATOM 929 CB GLU A 64 8.147 3.996 -4.299 1.00 0.00 C ATOM 930 CG GLU A 64 8.544 4.628 -5.640 1.00 0.00 C ATOM 931 CD GLU A 64 9.574 3.751 -6.361 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.768 3.805 -5.980 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.222 2.981 -7.287 1.00 0.00 O ATOM 0 H GLU A 64 6.689 3.640 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 64 8.200 5.853 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.028 3.533 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.427 3.199 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.661 4.752 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.958 5.622 -5.472 1.00 0.00 H new ATOM 940 N ARG A 65 5.976 6.799 -3.787 1.00 0.00 N ATOM 941 CA ARG A 65 4.710 7.470 -4.084 1.00 0.00 C ATOM 942 C ARG A 65 4.166 6.945 -5.411 1.00 0.00 C ATOM 943 O ARG A 65 4.685 7.325 -6.461 1.00 0.00 O ATOM 944 CB ARG A 65 4.979 8.990 -4.078 1.00 0.00 C ATOM 945 CG ARG A 65 3.927 9.867 -4.768 1.00 0.00 C ATOM 946 CD ARG A 65 4.540 10.525 -6.004 1.00 0.00 C ATOM 947 NE ARG A 65 3.548 11.136 -6.898 1.00 0.00 N ATOM 948 CZ ARG A 65 3.734 11.314 -8.213 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.887 11.002 -8.800 1.00 0.00 N ATOM 950 NH2 ARG A 65 2.743 11.813 -8.935 1.00 0.00 N ATOM 0 H ARG A 65 6.749 7.455 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 65 3.941 7.265 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.072 9.317 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.942 9.169 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.066 9.263 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.566 10.630 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.248 11.289 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.106 9.778 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 65 2.664 11.444 -6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.653 10.618 -8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.004 11.147 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.858 12.054 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.864 11.956 -9.938 1.00 0.00 H new ATOM 964 N LEU A 66 3.121 6.112 -5.390 1.00 0.00 N ATOM 965 CA LEU A 66 2.558 5.509 -6.599 1.00 0.00 C ATOM 966 C LEU A 66 1.040 5.489 -6.484 1.00 0.00 C ATOM 967 O LEU A 66 0.486 4.684 -5.743 1.00 0.00 O ATOM 968 CB LEU A 66 3.161 4.129 -6.873 1.00 0.00 C ATOM 969 CG LEU A 66 4.599 4.184 -7.431 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.126 2.766 -7.597 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.717 4.875 -8.798 1.00 0.00 C ATOM 0 H LEU A 66 2.642 5.837 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 66 2.821 6.113 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.161 3.551 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.525 3.598 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 66 5.173 4.768 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.142 2.799 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.128 2.263 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.486 2.219 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.759 4.871 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.110 4.341 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.366 5.904 -8.717 1.00 0.00 H new ATOM 983 N GLN A 67 0.375 6.400 -7.198 1.00 0.00 N ATOM 984 CA GLN A 67 -1.051 6.650 -7.101 1.00 0.00 C ATOM 985 C GLN A 67 -1.757 6.537 -8.446 1.00 0.00 C ATOM 986 O GLN A 67 -2.252 7.517 -9.010 1.00 0.00 O ATOM 987 CB GLN A 67 -1.298 8.020 -6.424 1.00 0.00 C ATOM 988 CG GLN A 67 -0.453 9.264 -6.756 1.00 0.00 C ATOM 989 CD GLN A 67 -0.507 9.720 -8.212 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.503 9.466 -9.017 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 -1.458 10.370 -8.635 1.00 0.00 N flip ATOM 0 H GLN A 67 0.837 7.000 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.489 5.872 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.337 8.285 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.210 7.859 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.783 10.087 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.585 9.058 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.248 10.575 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.458 10.705 -9.598 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.844 5.330 -8.987 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.703 5.051 -10.108 1.00 0.00 C ATOM 1002 C ASP A 68 -3.014 3.561 -10.142 1.00 0.00 C ATOM 1003 O ASP A 68 -2.189 2.749 -9.722 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.948 5.452 -11.369 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.932 5.916 -12.433 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.782 5.102 -12.851 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.947 7.123 -12.771 1.00 0.00 O ATOM 0 H ASP A 68 -1.317 4.522 -8.654 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.641 5.602 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.241 6.250 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.368 4.607 -11.741 1.00 0.00 H new ATOM 1012 N VAL A 69 -4.155 3.186 -10.710 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.436 1.815 -11.115 1.00 0.00 C ATOM 1014 C VAL A 69 -3.391 1.348 -12.129 1.00 0.00 C ATOM 1015 O VAL A 69 -2.970 0.194 -12.100 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.888 1.779 -11.633 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -6.112 2.454 -12.995 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.429 0.356 -11.668 1.00 0.00 C ATOM 0 H VAL A 69 -4.919 3.833 -10.904 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.361 1.111 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.444 2.375 -10.909 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.163 2.376 -13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.831 3.505 -12.931 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.500 1.961 -13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.454 0.366 -12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.811 -0.252 -12.328 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.410 -0.065 -10.663 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.883 2.274 -12.945 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.771 2.014 -13.842 1.00 0.00 C ATOM 1030 C GLY A 70 -0.463 1.703 -13.127 1.00 0.00 C ATOM 1031 O GLY A 70 0.414 1.048 -13.689 1.00 0.00 O ATOM 0 H GLY A 70 -3.238 3.229 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.028 1.176 -14.490 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.625 2.882 -14.485 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.337 2.175 -11.892 1.00 0.00 N ATOM 1036 CA ALA A 71 0.879 2.118 -11.104 1.00 0.00 C ATOM 1037 C ALA A 71 0.930 0.846 -10.270 1.00 0.00 C ATOM 1038 O ALA A 71 1.979 0.200 -10.230 1.00 0.00 O ATOM 1039 CB ALA A 71 1.023 3.365 -10.224 1.00 0.00 C ATOM 0 H ALA A 71 -1.109 2.623 -11.398 1.00 0.00 H new ATOM 0 HA ALA A 71 1.724 2.098 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.943 3.296 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.057 4.253 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.171 3.433 -9.547 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.161 0.457 -9.592 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.170 -0.723 -8.740 1.00 0.00 C ATOM 1047 C ILE A 72 -1.513 -1.440 -8.881 1.00 0.00 C ATOM 1048 O ILE A 72 -2.570 -0.827 -8.723 1.00 0.00 O ATOM 1049 CB ILE A 72 0.093 -0.382 -7.273 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.157 0.704 -7.025 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.582 -1.656 -6.540 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.730 1.484 -5.786 1.00 0.00 C ATOM 0 H ILE A 72 -1.051 0.953 -9.624 1.00 0.00 H new ATOM 0 HA ILE A 72 0.640 -1.376 -9.066 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.856 0.005 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.138 0.253 -6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.238 1.366 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.772 -1.423 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.183 -2.430 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.501 -2.013 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.461 2.265 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.246 1.938 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.669 0.808 -4.933 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.472 -2.746 -9.136 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.580 -3.636 -8.970 1.00 0.00 C ATOM 1066 C LEU A 73 -2.121 -4.459 -7.772 1.00 0.00 C ATOM 1067 O LEU A 73 -2.199 -3.979 -6.645 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.904 -4.361 -10.277 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.293 -3.354 -11.382 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.490 -4.115 -12.678 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.563 -2.554 -11.120 1.00 0.00 C ATOM 0 H LEU A 73 -0.631 -3.213 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.554 -3.194 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.041 -4.944 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.721 -5.064 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.477 -2.633 -11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.765 -3.419 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.563 -4.622 -12.947 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.283 -4.852 -12.550 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.746 -1.878 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.407 -3.236 -11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.446 -1.976 -10.204 1.00 0.00 H new ATOM 1083 N THR A 74 -1.491 -5.605 -7.993 1.00 0.00 N ATOM 1084 CA THR A 74 -1.122 -6.555 -6.956 1.00 0.00 C ATOM 1085 C THR A 74 0.337 -6.470 -6.506 1.00 0.00 C ATOM 1086 O THR A 74 1.089 -5.560 -6.854 1.00 0.00 O ATOM 1087 CB THR A 74 -1.500 -7.952 -7.474 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.376 -8.019 -8.882 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.925 -8.232 -7.021 1.00 0.00 C ATOM 0 H THR A 74 -1.215 -5.907 -8.927 1.00 0.00 H new ATOM 0 HA THR A 74 -1.670 -6.314 -6.045 1.00 0.00 H new ATOM 0 HB THR A 74 -0.826 -8.709 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.463 -8.950 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.231 -9.218 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.973 -8.202 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.593 -7.477 -7.435 1.00 0.00 H new ATOM 1097 N ALA A 75 0.746 -7.443 -5.689 1.00 0.00 N ATOM 1098 CA ALA A 75 2.111 -7.622 -5.244 1.00 0.00 C ATOM 1099 C ALA A 75 3.078 -7.797 -6.405 1.00 0.00 C ATOM 1100 O ALA A 75 4.141 -7.185 -6.378 1.00 0.00 O ATOM 1101 CB ALA A 75 2.161 -8.842 -4.322 1.00 0.00 C ATOM 0 H ALA A 75 0.109 -8.145 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 75 2.424 -6.724 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.183 -8.994 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.508 -8.677 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.828 -9.725 -4.868 1.00 0.00 H new ATOM 1107 N GLU A 76 2.730 -8.596 -7.418 1.00 0.00 N ATOM 1108 CA GLU A 76 3.568 -8.742 -8.615 1.00 0.00 C ATOM 1109 C GLU A 76 3.615 -7.461 -9.432 1.00 0.00 C ATOM 1110 O GLU A 76 4.501 -7.272 -10.262 1.00 0.00 O ATOM 1111 CB GLU A 76 3.092 -9.889 -9.510 1.00 0.00 C ATOM 1112 CG GLU A 76 1.613 -9.792 -9.910 1.00 0.00 C ATOM 1113 CD GLU A 76 1.393 -10.031 -11.401 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.143 -9.460 -12.227 1.00 0.00 O ATOM 1115 OE2 GLU A 76 0.435 -10.754 -11.759 1.00 0.00 O ATOM 0 H GLU A 76 1.875 -9.152 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 76 4.571 -8.969 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.702 -9.910 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.257 -10.834 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.037 -10.521 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.232 -8.806 -9.643 1.00 0.00 H new ATOM 1122 N HIS A 77 2.665 -6.568 -9.191 1.00 0.00 N ATOM 1123 CA HIS A 77 2.600 -5.283 -9.833 1.00 0.00 C ATOM 1124 C HIS A 77 3.394 -4.255 -9.016 1.00 0.00 C ATOM 1125 O HIS A 77 3.415 -3.081 -9.398 1.00 0.00 O ATOM 1126 CB HIS A 77 1.126 -4.922 -9.984 1.00 0.00 C ATOM 1127 CG HIS A 77 0.853 -3.929 -11.077 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.140 -2.594 -11.010 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.017 -4.116 -12.141 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.384 -1.967 -11.912 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.273 -2.855 -12.678 1.00 0.00 N ATOM 0 H HIS A 77 1.907 -6.730 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 77 3.055 -5.298 -10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.558 -5.831 -10.182 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.762 -4.517 -9.039 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.813 -2.155 -10.382 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.353 -5.064 -12.503 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.310 -0.894 -12.013 1.00 0.00 H new ATOM 1139 N ARG A 78 4.047 -4.644 -7.905 1.00 0.00 N ATOM 1140 CA ARG A 78 5.000 -3.787 -7.208 1.00 0.00 C ATOM 1141 C ARG A 78 6.377 -4.464 -7.181 1.00 0.00 C ATOM 1142 O ARG A 78 7.296 -3.942 -7.801 1.00 0.00 O ATOM 1143 CB ARG A 78 4.464 -3.368 -5.829 1.00 0.00 C ATOM 1144 CG ARG A 78 4.803 -1.936 -5.366 1.00 0.00 C ATOM 1145 CD ARG A 78 6.214 -1.394 -5.689 1.00 0.00 C ATOM 1146 NE ARG A 78 6.294 -0.795 -7.027 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.240 0.007 -7.526 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.276 0.402 -6.793 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.121 0.424 -8.776 1.00 0.00 N ATOM 0 H ARG A 78 3.923 -5.560 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 78 5.130 -2.850 -7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.379 -3.476 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.849 -4.067 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.073 -1.258 -5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.665 -1.891 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.493 -0.649 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.937 -2.206 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 78 5.526 -1.021 -7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.363 0.093 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.984 1.014 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.320 0.133 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.830 1.037 -9.179 1.00 0.00 H new ATOM 1163 N LEU A 79 6.552 -5.547 -6.414 1.00 0.00 N ATOM 1164 CA LEU A 79 7.693 -6.430 -6.327 1.00 0.00 C ATOM 1165 C LEU A 79 7.531 -7.603 -7.301 1.00 0.00 C ATOM 1166 O LEU A 79 6.593 -7.642 -8.087 1.00 0.00 O ATOM 1167 CB LEU A 79 7.889 -6.865 -4.847 1.00 0.00 C ATOM 1168 CG LEU A 79 6.744 -6.796 -3.823 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.133 -7.635 -2.591 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.500 -5.381 -3.288 1.00 0.00 C ATOM 0 H LEU A 79 5.813 -5.846 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 79 8.605 -5.916 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.233 -7.899 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.706 -6.264 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 79 5.851 -7.152 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.330 -7.595 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.298 -8.669 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.047 -7.235 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.680 -5.400 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.403 -5.017 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.243 -4.719 -4.115 1.00 0.00 H new ATOM 1182 N GLU A 80 8.417 -8.596 -7.195 1.00 0.00 N ATOM 1183 CA GLU A 80 8.421 -9.867 -7.925 1.00 0.00 C ATOM 1184 C GLU A 80 7.147 -10.705 -7.744 1.00 0.00 C ATOM 1185 O GLU A 80 7.002 -11.747 -8.384 1.00 0.00 O ATOM 1186 CB GLU A 80 9.638 -10.694 -7.471 1.00 0.00 C ATOM 1187 CG GLU A 80 9.585 -11.015 -5.963 1.00 0.00 C ATOM 1188 CD GLU A 80 10.540 -12.125 -5.538 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.576 -12.382 -6.191 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.306 -12.735 -4.475 1.00 0.00 O ATOM 0 H GLU A 80 9.206 -8.529 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 80 8.470 -9.616 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.678 -11.624 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.553 -10.145 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.819 -10.111 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.568 -11.302 -5.697 1.00 0.00 H new ATOM 1197 N GLY A 81 6.242 -10.297 -6.856 1.00 0.00 N ATOM 1198 CA GLY A 81 5.019 -10.997 -6.565 1.00 0.00 C ATOM 1199 C GLY A 81 5.125 -11.787 -5.287 1.00 0.00 C ATOM 1200 O GLY A 81 5.234 -13.010 -5.312 1.00 0.00 O ATOM 0 H GLY A 81 6.355 -9.443 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.200 -10.282 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.778 -11.668 -7.390 1.00 0.00 H new ATOM 1204 N ARG A 82 5.106 -11.071 -4.161 1.00 0.00 N ATOM 1205 CA ARG A 82 5.199 -11.674 -2.837 1.00 0.00 C ATOM 1206 C ARG A 82 4.192 -11.008 -1.905 1.00 0.00 C ATOM 1207 O ARG A 82 3.216 -11.631 -1.495 1.00 0.00 O ATOM 1208 CB ARG A 82 6.669 -11.612 -2.353 1.00 0.00 C ATOM 1209 CG ARG A 82 7.204 -12.967 -1.874 1.00 0.00 C ATOM 1210 CD ARG A 82 7.380 -13.949 -3.040 1.00 0.00 C ATOM 1211 NE ARG A 82 7.948 -15.219 -2.581 1.00 0.00 N ATOM 1212 CZ ARG A 82 8.989 -15.885 -3.089 1.00 0.00 C ATOM 1213 NH1 ARG A 82 9.733 -15.386 -4.072 1.00 0.00 N ATOM 1214 NH2 ARG A 82 9.302 -17.064 -2.575 1.00 0.00 N ATOM 0 H ARG A 82 5.025 -10.054 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 82 4.932 -12.731 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.297 -11.247 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.747 -10.890 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.160 -12.824 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.518 -13.391 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.416 -14.129 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.031 -13.508 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 82 7.493 -15.647 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.516 -14.468 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.521 -15.921 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.752 -17.447 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.093 -17.589 -2.948 1.00 0.00 H new ATOM 1228 N PHE A 83 4.398 -9.728 -1.618 1.00 0.00 N ATOM 1229 CA PHE A 83 3.569 -8.885 -0.766 1.00 0.00 C ATOM 1230 C PHE A 83 3.511 -7.503 -1.427 1.00 0.00 C ATOM 1231 O PHE A 83 4.061 -7.313 -2.505 1.00 0.00 O ATOM 1232 CB PHE A 83 4.226 -8.783 0.621 1.00 0.00 C ATOM 1233 CG PHE A 83 4.317 -10.059 1.440 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.415 -10.930 1.287 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.346 -10.341 2.420 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.512 -12.097 2.066 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.477 -11.475 3.237 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.538 -12.370 3.041 1.00 0.00 C ATOM 0 H PHE A 83 5.197 -9.220 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 83 2.565 -9.293 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.235 -8.393 0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.673 -8.046 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.186 -10.700 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.498 -9.683 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.333 -12.782 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.757 -11.659 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.607 -13.267 3.638 1.00 0.00 H new ATOM 1248 N THR A 84 2.888 -6.521 -0.795 1.00 0.00 N ATOM 1249 CA THR A 84 3.022 -5.112 -1.107 1.00 0.00 C ATOM 1250 C THR A 84 2.760 -4.391 0.216 1.00 0.00 C ATOM 1251 O THR A 84 1.849 -4.775 0.954 1.00 0.00 O ATOM 1252 CB THR A 84 2.054 -4.728 -2.253 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.818 -4.483 -3.410 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.204 -3.469 -2.038 1.00 0.00 C ATOM 0 H THR A 84 2.249 -6.694 -0.019 1.00 0.00 H new ATOM 0 HA THR A 84 4.006 -4.832 -1.484 1.00 0.00 H new ATOM 0 HB THR A 84 1.363 -5.569 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.223 -4.239 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.569 -3.306 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.581 -3.597 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.858 -2.608 -1.900 1.00 0.00 H new ATOM 1262 N VAL A 85 3.548 -3.360 0.520 1.00 0.00 N ATOM 1263 CA VAL A 85 3.295 -2.474 1.651 1.00 0.00 C ATOM 1264 C VAL A 85 2.732 -1.177 1.102 1.00 0.00 C ATOM 1265 O VAL A 85 3.111 -0.739 0.016 1.00 0.00 O ATOM 1266 CB VAL A 85 4.581 -2.245 2.458 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.448 -1.188 3.566 1.00 0.00 C ATOM 1268 CG2 VAL A 85 4.996 -3.567 3.103 1.00 0.00 C ATOM 0 H VAL A 85 4.382 -3.117 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 85 2.576 -2.920 2.338 1.00 0.00 H new ATOM 0 HB VAL A 85 5.325 -1.873 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.399 -1.087 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.173 -0.230 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.677 -1.497 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.909 -3.420 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.202 -3.915 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.174 -4.311 2.326 1.00 0.00 H new ATOM 1278 N ILE A 86 1.871 -0.552 1.886 1.00 0.00 N ATOM 1279 CA ILE A 86 1.067 0.609 1.585 1.00 0.00 C ATOM 1280 C ILE A 86 1.355 1.598 2.690 1.00 0.00 C ATOM 1281 O ILE A 86 0.784 1.451 3.764 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.410 0.175 1.665 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.803 -0.803 0.537 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.363 1.385 1.644 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.824 -0.148 -0.853 1.00 0.00 C ATOM 0 H ILE A 86 1.705 -0.879 2.838 1.00 0.00 H new ATOM 0 HA ILE A 86 1.275 1.035 0.604 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.512 -0.344 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.102 -1.637 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.788 -1.217 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.394 1.037 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.150 2.031 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.220 1.944 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.108 -0.889 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.546 0.669 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.167 0.242 -1.086 1.00 0.00 H new ATOM 1297 N ARG A 87 2.182 2.616 2.477 1.00 0.00 N ATOM 1298 CA ARG A 87 2.285 3.687 3.458 1.00 0.00 C ATOM 1299 C ARG A 87 1.309 4.726 2.946 1.00 0.00 C ATOM 1300 O ARG A 87 1.702 5.649 2.242 1.00 0.00 O ATOM 1301 CB ARG A 87 3.746 4.168 3.568 1.00 0.00 C ATOM 1302 CG ARG A 87 4.002 5.464 4.363 1.00 0.00 C ATOM 1303 CD ARG A 87 5.452 5.917 4.121 1.00 0.00 C ATOM 1304 NE ARG A 87 5.695 7.303 4.553 1.00 0.00 N ATOM 1305 CZ ARG A 87 6.675 8.094 4.094 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.626 7.610 3.300 1.00 0.00 N ATOM 1307 NH2 ARG A 87 6.695 9.375 4.439 1.00 0.00 N ATOM 0 H ARG A 87 2.777 2.721 1.655 1.00 0.00 H new ATOM 0 HA ARG A 87 2.033 3.402 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.331 3.370 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.132 4.309 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.306 6.242 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.832 5.294 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.130 5.251 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.684 5.826 3.060 1.00 0.00 H new ATOM 0 HE ARG A 87 5.068 7.692 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.615 6.626 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.366 8.223 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.969 9.750 5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.437 9.984 4.095 1.00 0.00 H new ATOM 1321 N ARG A 88 0.022 4.540 3.222 1.00 0.00 N ATOM 1322 CA ARG A 88 -1.007 5.523 3.001 1.00 0.00 C ATOM 1323 C ARG A 88 -0.910 6.514 4.164 1.00 0.00 C ATOM 1324 O ARG A 88 -1.613 6.367 5.158 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.357 4.792 2.892 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.583 5.704 2.821 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.389 6.921 1.901 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.959 8.171 2.549 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.643 8.889 3.451 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.626 8.377 4.180 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.322 10.164 3.641 1.00 0.00 N ATOM 0 H ARG A 88 -0.334 3.670 3.618 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.898 6.085 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.341 4.161 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.465 4.130 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.437 5.125 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.826 6.052 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.653 6.660 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.329 7.111 1.383 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.042 8.529 2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.889 7.398 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.119 8.962 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.564 10.585 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.834 10.722 4.324 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.026 7.503 4.020 1.00 0.00 N ATOM 1346 CA GLY A 89 0.326 8.607 4.904 1.00 0.00 C ATOM 1347 C GLY A 89 -0.507 8.739 6.174 1.00 0.00 C ATOM 1348 O GLY A 89 -0.125 8.205 7.217 1.00 0.00 O ATOM 0 H GLY A 89 0.531 7.550 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.372 8.498 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.244 9.537 4.341 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.625 9.476 6.116 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.422 9.811 7.301 1.00 0.00 C ATOM 1354 C LYS A 90 -3.055 8.574 7.938 1.00 0.00 C ATOM 1355 O LYS A 90 -3.425 8.635 9.108 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.492 10.875 6.963 1.00 0.00 C ATOM 1357 CG LYS A 90 -3.681 11.997 8.006 1.00 0.00 C ATOM 1358 CD LYS A 90 -4.168 11.587 9.404 1.00 0.00 C ATOM 1359 CE LYS A 90 -2.992 11.338 10.366 1.00 0.00 C ATOM 1360 NZ LYS A 90 -3.268 10.256 11.335 1.00 0.00 N ATOM 0 H LYS A 90 -2.001 9.855 5.247 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.741 10.234 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.232 11.333 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.448 10.370 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.729 12.515 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.390 12.718 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.811 12.369 9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.774 10.684 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.103 11.085 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.770 12.257 10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.473 10.175 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.139 10.474 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.386 9.357 10.827 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.186 7.463 7.216 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.505 6.184 7.820 1.00 0.00 C ATOM 1376 C LYS A 91 -2.178 5.578 8.284 1.00 0.00 C ATOM 1377 O LYS A 91 -1.588 6.117 9.225 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.372 5.356 6.852 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.338 4.447 7.621 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.466 5.227 8.327 1.00 0.00 C ATOM 1381 CE LYS A 91 -7.787 4.453 8.429 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.624 3.088 8.972 1.00 0.00 N ATOM 0 H LYS A 91 -3.074 7.430 6.203 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.133 6.245 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.936 6.024 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.731 4.752 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.778 3.727 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.779 3.877 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.136 5.496 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.642 6.158 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.478 5.009 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.241 4.391 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.175 2.418 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.619 2.822 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.963 3.062 9.955 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.686 4.490 7.681 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.490 3.792 8.115 1.00 0.00 C ATOM 1398 C LYS A 92 0.087 2.941 6.971 1.00 0.00 C ATOM 1399 O LYS A 92 -0.146 3.239 5.791 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.861 2.978 9.372 1.00 0.00 C ATOM 1401 CG LYS A 92 0.299 2.879 10.379 1.00 0.00 C ATOM 1402 CD LYS A 92 0.599 4.190 11.134 1.00 0.00 C ATOM 1403 CE LYS A 92 -0.342 4.406 12.323 1.00 0.00 C ATOM 1404 NZ LYS A 92 -0.042 3.495 13.449 1.00 0.00 N ATOM 0 H LYS A 92 -2.124 4.069 6.862 1.00 0.00 H new ATOM 0 HA LYS A 92 0.308 4.486 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.720 3.440 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.164 1.975 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.068 2.100 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.198 2.565 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.630 4.175 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.510 5.031 10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.263 5.439 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.372 4.254 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.559 3.807 14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.335 2.528 13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.980 3.508 13.643 1.00 0.00 H new ATOM 1418 N TYR A 93 0.861 1.926 7.363 1.00 0.00 N ATOM 1419 CA TYR A 93 1.763 1.077 6.590 1.00 0.00 C ATOM 1420 C TYR A 93 1.170 -0.329 6.397 1.00 0.00 C ATOM 1421 O TYR A 93 1.672 -1.317 6.932 1.00 0.00 O ATOM 1422 CB TYR A 93 3.111 0.922 7.280 1.00 0.00 C ATOM 1423 CG TYR A 93 3.851 2.164 7.742 1.00 0.00 C ATOM 1424 CD1 TYR A 93 4.687 2.853 6.850 1.00 0.00 C ATOM 1425 CD2 TYR A 93 3.804 2.561 9.093 1.00 0.00 C ATOM 1426 CE1 TYR A 93 5.405 3.982 7.283 1.00 0.00 C ATOM 1427 CE2 TYR A 93 4.513 3.693 9.532 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.307 4.419 8.619 1.00 0.00 C ATOM 1429 OH TYR A 93 6.011 5.513 9.019 1.00 0.00 O ATOM 0 H TYR A 93 0.869 1.650 8.345 1.00 0.00 H new ATOM 0 HA TYR A 93 1.896 1.566 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.962 0.285 8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.769 0.382 6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.779 2.515 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.218 1.990 9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.035 4.517 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.450 4.006 10.564 1.00 0.00 H new ATOM 0 HH TYR A 93 5.836 5.686 9.968 1.00 0.00 H new ATOM 1439 N TYR A 94 0.067 -0.437 5.680 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.686 -1.676 5.595 1.00 0.00 C ATOM 1441 C TYR A 94 -0.022 -2.641 4.629 1.00 0.00 C ATOM 1442 O TYR A 94 0.867 -2.269 3.860 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.078 -1.300 5.140 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.882 -0.594 6.209 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.764 0.798 6.360 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.768 -1.323 7.025 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.538 1.459 7.320 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.571 -0.658 7.970 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.454 0.741 8.117 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.230 1.422 8.998 1.00 0.00 O ATOM 0 H TYR A 94 -0.333 0.331 5.140 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.724 -2.187 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.006 -0.656 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.608 -2.201 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.079 1.355 5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.832 -2.397 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.433 2.526 7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.271 -1.213 8.577 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.812 0.794 9.475 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.472 -3.887 4.680 1.00 0.00 N ATOM 1461 CA LEU A 95 0.195 -5.023 4.069 1.00 0.00 C ATOM 1462 C LEU A 95 -0.823 -5.828 3.284 1.00 0.00 C ATOM 1463 O LEU A 95 -1.928 -6.101 3.751 1.00 0.00 O ATOM 1464 CB LEU A 95 0.888 -5.847 5.160 1.00 0.00 C ATOM 1465 CG LEU A 95 1.543 -7.152 4.673 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.508 -6.908 3.512 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.322 -7.805 5.817 1.00 0.00 C ATOM 0 H LEU A 95 -1.335 -4.140 5.161 1.00 0.00 H new ATOM 0 HA LEU A 95 0.966 -4.698 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.652 -5.229 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.156 -6.091 5.930 1.00 0.00 H new ATOM 0 HG LEU A 95 0.740 -7.805 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.948 -7.855 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.967 -6.466 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.298 -6.229 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.782 -8.728 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.098 -7.123 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.642 -8.030 6.638 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.454 -6.185 2.068 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.339 -6.698 1.046 1.00 0.00 C ATOM 1481 C ILE A 96 -0.607 -7.888 0.427 1.00 0.00 C ATOM 1482 O ILE A 96 0.534 -7.746 -0.015 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.551 -5.571 0.010 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.021 -4.208 0.585 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.441 -5.970 -1.169 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.400 -4.210 1.256 1.00 0.00 C ATOM 0 H ILE A 96 0.515 -6.121 1.755 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.313 -7.010 1.423 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.536 -5.419 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.284 -3.868 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.032 -3.477 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.541 -5.126 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.991 -6.811 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.426 -6.258 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.628 -3.209 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.156 -4.513 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.397 -4.909 2.092 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.217 -9.067 0.398 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.696 -10.244 -0.270 1.00 0.00 C ATOM 1500 C ARG A 97 -1.797 -11.006 -1.012 1.00 0.00 C ATOM 1501 O ARG A 97 -2.994 -10.705 -0.926 1.00 0.00 O ATOM 1502 CB ARG A 97 0.052 -11.118 0.755 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.549 -11.277 2.167 1.00 0.00 C ATOM 1504 CD ARG A 97 0.122 -12.451 2.894 1.00 0.00 C ATOM 1505 NE ARG A 97 0.170 -12.304 4.359 1.00 0.00 N ATOM 1506 CZ ARG A 97 0.758 -13.192 5.176 1.00 0.00 C ATOM 1507 NH1 ARG A 97 1.252 -14.331 4.705 1.00 0.00 N ATOM 1508 NH2 ARG A 97 0.889 -12.937 6.471 1.00 0.00 N ATOM 0 H ARG A 97 -2.115 -9.231 0.854 1.00 0.00 H new ATOM 0 HA ARG A 97 0.015 -9.940 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.158 -12.114 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.057 -10.711 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.409 -10.358 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.623 -11.448 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.412 -13.369 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.139 -12.564 2.518 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.268 -11.482 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.188 -14.542 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.696 -14.995 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.541 -12.059 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.338 -13.619 7.082 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.394 -12.027 -1.752 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.265 -13.057 -2.254 1.00 0.00 C ATOM 1524 C TYR A 98 -1.891 -14.397 -1.633 1.00 0.00 C ATOM 1525 O TYR A 98 -0.839 -14.513 -1.000 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.247 -13.093 -3.784 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.014 -12.635 -4.533 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.271 -13.090 -4.172 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.186 -11.846 -5.688 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.377 -12.774 -4.977 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -0.092 -11.558 -6.515 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.183 -12.046 -6.169 1.00 0.00 C ATOM 1533 OH TYR A 98 2.229 -11.821 -6.991 1.00 0.00 O ATOM 0 H TYR A 98 -0.420 -12.158 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.292 -12.834 -1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.449 -14.120 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.083 -12.487 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.404 -13.681 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.164 -11.462 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.369 -13.086 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.225 -10.967 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 98 2.120 -12.348 -7.810 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.766 -15.385 -1.807 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.643 -16.754 -1.350 1.00 0.00 C ATOM 1545 C ALA A 99 -1.516 -17.466 -2.103 1.00 0.00 C ATOM 1546 O ALA A 99 -1.751 -18.254 -3.022 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.005 -17.448 -1.509 1.00 0.00 C ATOM 0 H ALA A 99 -3.641 -15.231 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.371 -16.787 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.929 -18.481 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.752 -16.924 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.301 -17.432 -2.558 1.00 0.00 H new