USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 102 THR OG1 : rot -126:sc= 0.664 USER MOD Set 1.2: A 105 HIS : no HE2:sc= 0.588 K(o=1.3,f=-0.0066) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.36) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 82:sc= 0.266 USER MOD Single : A 34 SER OG : rot -2:sc= 0.492 USER MOD Single : A 37 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.6!) USER MOD Single : A 39 SER OG : rot -150:sc= -0.901 USER MOD Single : A 47 SER OG : rot -54:sc=0.000569 USER MOD Single : A 51 GLN : amide:sc= -0.0031 X(o=-0.0031,f=-0.0031) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.016) USER MOD Single : A 65 TYR OH : rot -150:sc= -2.85! USER MOD Single : A 68 ASN : amide:sc=-0.00105 K(o=-0.001,f=-0.79) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 70 THR OG1 : rot 130:sc= -1.1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 121:sc= 0.14 USER MOD Single : A 81 SER OG : rot 33:sc= 0.291 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-0.31) USER MOD Single : A 93 HIS : no HE2:sc= -4.96! K(o=-5!,f=-3.3) USER MOD Single : A 94 SER OG : rot 20:sc= 0.244 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 29:sc= 0.402 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -9.078 -1.985 -10.448 1.00 0.00 N ATOM 171 CA LYS A 15 -9.128 -0.770 -11.250 1.00 0.00 C ATOM 172 C LYS A 15 -9.141 0.470 -10.360 1.00 0.00 C ATOM 173 O LYS A 15 -8.530 1.487 -10.687 1.00 0.00 O ATOM 174 CB LYS A 15 -10.367 -0.778 -12.149 1.00 0.00 C ATOM 175 CG LYS A 15 -10.131 -1.420 -13.505 1.00 0.00 C ATOM 176 CD LYS A 15 -11.401 -1.445 -14.338 1.00 0.00 C ATOM 177 CE LYS A 15 -11.186 -2.167 -15.660 1.00 0.00 C ATOM 178 NZ LYS A 15 -12.454 -2.739 -16.192 1.00 0.00 N ATOM 0 HA LYS A 15 -8.234 -0.739 -11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.171 -1.309 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.705 0.248 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.355 -0.871 -14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.764 -2.437 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.195 -1.938 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.732 -0.424 -14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.767 -1.473 -16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.457 -2.965 -15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.265 -3.223 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.841 -3.420 -15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.142 -1.974 -16.347 1.00 0.00 H new ATOM 192 N HIS A 16 -9.840 0.376 -9.233 1.00 0.00 N ATOM 193 CA HIS A 16 -9.929 1.490 -8.294 1.00 0.00 C ATOM 194 C HIS A 16 -8.624 2.280 -8.263 1.00 0.00 C ATOM 195 O HIS A 16 -7.559 1.724 -7.995 1.00 0.00 O ATOM 196 CB HIS A 16 -10.264 0.977 -6.895 1.00 0.00 C ATOM 197 CG HIS A 16 -11.128 -0.246 -6.894 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.417 -0.258 -7.383 1.00 0.00 N ATOM 199 CD2 HIS A 16 -10.879 -1.505 -6.463 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.925 -1.470 -7.251 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.012 -2.245 -6.695 1.00 0.00 N ATOM 0 H HIS A 16 -10.352 -0.459 -8.948 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.726 2.154 -8.629 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.336 0.756 -6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.768 1.767 -6.339 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.961 -1.861 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.918 -1.775 -7.547 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.129 -3.234 -6.474 1.00 0.00 H new ATOM 210 N SER A 17 -8.716 3.576 -8.536 1.00 0.00 N ATOM 211 CA SER A 17 -7.541 4.441 -8.542 1.00 0.00 C ATOM 212 C SER A 17 -6.964 4.582 -7.138 1.00 0.00 C ATOM 213 O SER A 17 -5.746 4.580 -6.952 1.00 0.00 O ATOM 214 CB SER A 17 -7.901 5.820 -9.100 1.00 0.00 C ATOM 215 OG SER A 17 -7.999 5.789 -10.512 1.00 0.00 O ATOM 0 H SER A 17 -9.591 4.051 -8.756 1.00 0.00 H new ATOM 0 HA SER A 17 -6.786 3.984 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.848 6.152 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.145 6.546 -8.801 1.00 0.00 H new ATOM 0 HG SER A 17 -8.232 6.681 -10.843 1.00 0.00 H new ATOM 221 N TRP A 18 -7.845 4.705 -6.151 1.00 0.00 N ATOM 222 CA TRP A 18 -7.423 4.848 -4.762 1.00 0.00 C ATOM 223 C TRP A 18 -6.747 3.575 -4.266 1.00 0.00 C ATOM 224 O TRP A 18 -5.820 3.627 -3.458 1.00 0.00 O ATOM 225 CB TRP A 18 -8.623 5.183 -3.876 1.00 0.00 C ATOM 226 CG TRP A 18 -9.887 4.497 -4.301 1.00 0.00 C ATOM 227 CD1 TRP A 18 -10.769 4.923 -5.252 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.408 3.267 -3.788 1.00 0.00 C ATOM 229 NE1 TRP A 18 -11.808 4.030 -5.361 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.609 3.005 -4.475 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.975 2.360 -2.817 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.382 1.875 -4.220 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.743 1.238 -2.564 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.934 1.003 -3.263 1.00 0.00 C ATOM 0 H TRP A 18 -8.856 4.709 -6.287 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.702 5.664 -4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.395 4.904 -2.847 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.783 6.261 -3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.666 5.828 -5.833 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.599 4.117 -5.999 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.057 2.532 -2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.301 1.693 -4.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.419 0.531 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.511 0.117 -3.043 1.00 0.00 H new ATOM 245 N TYR A 19 -7.219 2.432 -4.752 1.00 0.00 N ATOM 246 CA TYR A 19 -6.661 1.144 -4.354 1.00 0.00 C ATOM 247 C TYR A 19 -5.237 0.985 -4.876 1.00 0.00 C ATOM 248 O TYR A 19 -4.989 0.235 -5.821 1.00 0.00 O ATOM 249 CB TYR A 19 -7.538 0.004 -4.874 1.00 0.00 C ATOM 250 CG TYR A 19 -7.117 -1.360 -4.371 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.334 -1.733 -3.051 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.503 -2.274 -5.218 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.951 -2.977 -2.588 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.117 -3.521 -4.764 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.343 -3.866 -3.449 1.00 0.00 C ATOM 256 OH TYR A 19 -5.960 -5.108 -2.993 1.00 0.00 O ATOM 0 H TYR A 19 -7.986 2.371 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.636 1.106 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.571 0.188 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.512 0.004 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.810 -1.039 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.324 -2.006 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.127 -3.251 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.641 -4.221 -5.435 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.548 -5.612 -3.725 1.00 0.00 H new ATOM 266 N HIS A 20 -4.302 1.693 -4.250 1.00 0.00 N ATOM 267 CA HIS A 20 -2.900 1.628 -4.649 1.00 0.00 C ATOM 268 C HIS A 20 -2.216 0.407 -4.040 1.00 0.00 C ATOM 269 O HIS A 20 -1.077 0.484 -3.583 1.00 0.00 O ATOM 270 CB HIS A 20 -2.168 2.901 -4.222 1.00 0.00 C ATOM 271 CG HIS A 20 -2.227 3.996 -5.243 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.140 4.380 -5.999 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.253 4.789 -5.632 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.494 5.364 -6.808 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.772 5.631 -6.605 1.00 0.00 N ATOM 0 H HIS A 20 -4.489 2.317 -3.466 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.861 1.540 -5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.599 3.262 -3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.124 2.660 -4.019 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.262 4.764 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.848 5.864 -7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.313 6.346 -7.091 1.00 0.00 H new ATOM 284 N GLY A 21 -2.923 -0.720 -4.038 1.00 0.00 N ATOM 285 CA GLY A 21 -2.369 -1.940 -3.482 1.00 0.00 C ATOM 286 C GLY A 21 -1.548 -1.688 -2.233 1.00 0.00 C ATOM 287 O GLY A 21 -1.763 -0.716 -1.508 1.00 0.00 O ATOM 0 H GLY A 21 -3.868 -0.809 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.180 -2.629 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.745 -2.426 -4.231 1.00 0.00 H new ATOM 291 N PRO A 22 -0.583 -2.581 -1.963 1.00 0.00 N ATOM 292 CA PRO A 22 0.291 -2.473 -0.792 1.00 0.00 C ATOM 293 C PRO A 22 1.267 -1.305 -0.901 1.00 0.00 C ATOM 294 O PRO A 22 1.867 -1.082 -1.953 1.00 0.00 O ATOM 295 CB PRO A 22 1.048 -3.803 -0.790 1.00 0.00 C ATOM 296 CG PRO A 22 1.031 -4.249 -2.211 1.00 0.00 C ATOM 297 CD PRO A 22 -0.271 -3.764 -2.783 1.00 0.00 C ATOM 0 HA PRO A 22 -0.274 -2.287 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.068 -3.678 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.565 -4.533 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.877 -3.835 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.107 -5.334 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.176 -3.508 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.050 -4.522 -2.708 1.00 0.00 H new ATOM 305 N VAL A 23 1.417 -0.562 0.191 1.00 0.00 N ATOM 306 CA VAL A 23 2.321 0.582 0.217 1.00 0.00 C ATOM 307 C VAL A 23 3.027 0.693 1.563 1.00 0.00 C ATOM 308 O VAL A 23 2.459 0.363 2.603 1.00 0.00 O ATOM 309 CB VAL A 23 1.570 1.897 -0.067 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.538 3.070 -0.090 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.805 1.800 -1.377 1.00 0.00 C ATOM 0 H VAL A 23 0.925 -0.731 1.068 1.00 0.00 H new ATOM 0 HA VAL A 23 3.062 0.419 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 23 0.851 2.066 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.990 3.990 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.037 3.149 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.282 2.912 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.280 2.737 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.502 1.607 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.083 0.986 -1.317 1.00 0.00 H new ATOM 321 N SER A 24 4.270 1.162 1.535 1.00 0.00 N ATOM 322 CA SER A 24 5.058 1.314 2.754 1.00 0.00 C ATOM 323 C SER A 24 4.590 2.526 3.555 1.00 0.00 C ATOM 324 O SER A 24 4.031 3.471 3.000 1.00 0.00 O ATOM 325 CB SER A 24 6.543 1.456 2.413 1.00 0.00 C ATOM 326 OG SER A 24 7.139 0.190 2.197 1.00 0.00 O ATOM 0 H SER A 24 4.754 1.443 0.682 1.00 0.00 H new ATOM 0 HA SER A 24 4.917 0.421 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.657 2.072 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.058 1.970 3.224 1.00 0.00 H new ATOM 0 HG SER A 24 8.087 0.308 1.979 1.00 0.00 H new ATOM 332 N ARG A 25 4.824 2.489 4.862 1.00 0.00 N ATOM 333 CA ARG A 25 4.427 3.582 5.741 1.00 0.00 C ATOM 334 C ARG A 25 4.878 4.926 5.177 1.00 0.00 C ATOM 335 O ARG A 25 4.057 5.749 4.775 1.00 0.00 O ATOM 336 CB ARG A 25 5.014 3.381 7.139 1.00 0.00 C ATOM 337 CG ARG A 25 4.526 4.400 8.157 1.00 0.00 C ATOM 338 CD ARG A 25 3.216 3.968 8.795 1.00 0.00 C ATOM 339 NE ARG A 25 3.353 2.713 9.530 1.00 0.00 N ATOM 340 CZ ARG A 25 2.351 2.124 10.171 1.00 0.00 C ATOM 341 NH1 ARG A 25 1.143 2.672 10.165 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.553 0.984 10.818 1.00 0.00 N ATOM 0 H ARG A 25 5.287 1.714 5.336 1.00 0.00 H new ATOM 0 HA ARG A 25 3.339 3.582 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.761 2.380 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.101 3.433 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.282 4.533 8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.394 5.367 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.868 4.748 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.456 3.854 8.022 1.00 0.00 H new ATOM 0 HE ARG A 25 4.269 2.265 9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.983 3.548 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.374 2.218 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.480 0.558 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.782 0.533 11.310 1.00 0.00 H new ATOM 356 N SER A 26 6.190 5.139 5.147 1.00 0.00 N ATOM 357 CA SER A 26 6.751 6.384 4.636 1.00 0.00 C ATOM 358 C SER A 26 6.210 6.691 3.244 1.00 0.00 C ATOM 359 O SER A 26 5.922 7.842 2.918 1.00 0.00 O ATOM 360 CB SER A 26 8.278 6.300 4.596 1.00 0.00 C ATOM 361 OG SER A 26 8.862 7.586 4.727 1.00 0.00 O ATOM 0 H SER A 26 6.884 4.465 5.471 1.00 0.00 H new ATOM 0 HA SER A 26 6.456 7.191 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.631 5.653 5.399 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.596 5.846 3.657 1.00 0.00 H new ATOM 0 HG SER A 26 9.838 7.506 4.700 1.00 0.00 H new ATOM 367 N ALA A 27 6.075 5.653 2.425 1.00 0.00 N ATOM 368 CA ALA A 27 5.568 5.811 1.068 1.00 0.00 C ATOM 369 C ALA A 27 4.222 6.527 1.064 1.00 0.00 C ATOM 370 O ALA A 27 4.101 7.637 0.547 1.00 0.00 O ATOM 371 CB ALA A 27 5.448 4.454 0.389 1.00 0.00 C ATOM 0 H ALA A 27 6.310 4.693 2.678 1.00 0.00 H new ATOM 0 HA ALA A 27 6.277 6.423 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.068 4.586 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.428 3.979 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.762 3.824 0.954 1.00 0.00 H new ATOM 377 N ALA A 28 3.214 5.886 1.644 1.00 0.00 N ATOM 378 CA ALA A 28 1.878 6.462 1.710 1.00 0.00 C ATOM 379 C ALA A 28 1.941 7.969 1.937 1.00 0.00 C ATOM 380 O ALA A 28 1.434 8.748 1.131 1.00 0.00 O ATOM 381 CB ALA A 28 1.066 5.794 2.809 1.00 0.00 C ATOM 0 H ALA A 28 3.298 4.966 2.076 1.00 0.00 H new ATOM 0 HA ALA A 28 1.386 6.285 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.070 6.236 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.982 4.727 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.563 5.940 3.768 1.00 0.00 H new ATOM 387 N GLU A 29 2.562 8.370 3.041 1.00 0.00 N ATOM 388 CA GLU A 29 2.688 9.784 3.375 1.00 0.00 C ATOM 389 C GLU A 29 3.178 10.585 2.172 1.00 0.00 C ATOM 390 O GLU A 29 2.664 11.665 1.880 1.00 0.00 O ATOM 391 CB GLU A 29 3.650 9.970 4.551 1.00 0.00 C ATOM 392 CG GLU A 29 3.048 9.594 5.894 1.00 0.00 C ATOM 393 CD GLU A 29 4.101 9.380 6.967 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.057 8.327 7.636 1.00 0.00 O ATOM 395 OE2 GLU A 29 4.966 10.264 7.133 1.00 0.00 O ATOM 0 H GLU A 29 2.986 7.737 3.719 1.00 0.00 H new ATOM 0 HA GLU A 29 1.703 10.153 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.541 9.366 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.972 11.011 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.363 10.380 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.459 8.684 5.782 1.00 0.00 H new ATOM 403 N TYR A 30 4.176 10.049 1.478 1.00 0.00 N ATOM 404 CA TYR A 30 4.739 10.713 0.310 1.00 0.00 C ATOM 405 C TYR A 30 3.720 10.775 -0.825 1.00 0.00 C ATOM 406 O TYR A 30 3.396 11.851 -1.328 1.00 0.00 O ATOM 407 CB TYR A 30 5.999 9.986 -0.161 1.00 0.00 C ATOM 408 CG TYR A 30 6.351 10.256 -1.606 1.00 0.00 C ATOM 409 CD1 TYR A 30 6.893 11.476 -1.993 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.143 9.292 -2.585 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.215 11.727 -3.314 1.00 0.00 C ATOM 412 CE2 TYR A 30 6.462 9.534 -3.907 1.00 0.00 C ATOM 413 CZ TYR A 30 6.998 10.753 -4.265 1.00 0.00 C ATOM 414 OH TYR A 30 7.319 10.999 -5.581 1.00 0.00 O ATOM 0 H TYR A 30 4.612 9.155 1.705 1.00 0.00 H new ATOM 0 HA TYR A 30 5.002 11.732 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.837 10.283 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.862 8.913 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.065 12.240 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.724 8.336 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.634 12.681 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.293 8.774 -4.655 1.00 0.00 H new ATOM 0 HH TYR A 30 7.106 10.211 -6.123 1.00 0.00 H new ATOM 424 N LEU A 31 3.217 9.611 -1.222 1.00 0.00 N ATOM 425 CA LEU A 31 2.233 9.529 -2.297 1.00 0.00 C ATOM 426 C LEU A 31 1.226 10.669 -2.200 1.00 0.00 C ATOM 427 O LEU A 31 0.678 11.115 -3.209 1.00 0.00 O ATOM 428 CB LEU A 31 1.507 8.184 -2.248 1.00 0.00 C ATOM 429 CG LEU A 31 2.174 7.033 -3.000 1.00 0.00 C ATOM 430 CD1 LEU A 31 3.259 6.394 -2.146 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.141 5.996 -3.416 1.00 0.00 C ATOM 0 H LEU A 31 3.474 8.711 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 31 2.760 9.615 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.395 7.892 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.503 8.321 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 31 2.638 7.435 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.722 5.577 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.015 7.140 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.818 6.007 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.635 5.184 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.647 5.599 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.400 6.461 -4.067 1.00 0.00 H new ATOM 443 N LEU A 32 0.985 11.139 -0.980 1.00 0.00 N ATOM 444 CA LEU A 32 0.045 12.229 -0.752 1.00 0.00 C ATOM 445 C LEU A 32 0.744 13.581 -0.845 1.00 0.00 C ATOM 446 O LEU A 32 0.335 14.453 -1.611 1.00 0.00 O ATOM 447 CB LEU A 32 -0.616 12.079 0.619 1.00 0.00 C ATOM 448 CG LEU A 32 -1.826 11.146 0.681 1.00 0.00 C ATOM 449 CD1 LEU A 32 -2.041 10.645 2.102 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.073 11.852 0.168 1.00 0.00 C ATOM 0 H LEU A 32 1.428 10.781 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.721 12.183 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.133 11.718 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.926 13.067 0.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.631 10.287 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.906 9.982 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.157 10.100 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.214 11.493 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.923 11.172 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.273 12.730 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.917 12.160 -0.866 1.00 0.00 H new ATOM 462 N SER A 33 1.806 13.748 -0.062 1.00 0.00 N ATOM 463 CA SER A 33 2.562 14.994 -0.055 1.00 0.00 C ATOM 464 C SER A 33 1.632 16.196 -0.188 1.00 0.00 C ATOM 465 O SER A 33 1.958 17.177 -0.856 1.00 0.00 O ATOM 466 CB SER A 33 3.587 15.000 -1.192 1.00 0.00 C ATOM 467 OG SER A 33 4.805 14.402 -0.784 1.00 0.00 O ATOM 0 H SER A 33 2.162 13.035 0.575 1.00 0.00 H new ATOM 0 HA SER A 33 3.086 15.066 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.185 14.463 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.771 16.025 -1.514 1.00 0.00 H new ATOM 0 HG SER A 33 4.728 13.427 -0.847 1.00 0.00 H new ATOM 473 N SER A 34 0.470 16.110 0.453 1.00 0.00 N ATOM 474 CA SER A 34 -0.511 17.188 0.404 1.00 0.00 C ATOM 475 C SER A 34 -0.819 17.577 -1.039 1.00 0.00 C ATOM 476 O SER A 34 -0.756 18.752 -1.406 1.00 0.00 O ATOM 477 CB SER A 34 0.000 18.407 1.174 1.00 0.00 C ATOM 478 OG SER A 34 1.074 19.030 0.490 1.00 0.00 O ATOM 0 H SER A 34 0.185 15.306 1.012 1.00 0.00 H new ATOM 0 HA SER A 34 -1.429 16.831 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.812 19.122 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.326 18.102 2.168 1.00 0.00 H new ATOM 0 HG SER A 34 1.287 18.519 -0.319 1.00 0.00 H new ATOM 484 N LEU A 35 -1.153 16.583 -1.854 1.00 0.00 N ATOM 485 CA LEU A 35 -1.471 16.819 -3.259 1.00 0.00 C ATOM 486 C LEU A 35 -2.349 18.057 -3.417 1.00 0.00 C ATOM 487 O LEU A 35 -1.914 19.072 -3.961 1.00 0.00 O ATOM 488 CB LEU A 35 -2.177 15.599 -3.854 1.00 0.00 C ATOM 489 CG LEU A 35 -1.267 14.489 -4.382 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.992 13.152 -4.360 1.00 0.00 C ATOM 491 CD2 LEU A 35 -0.788 14.816 -5.788 1.00 0.00 C ATOM 0 H LEU A 35 -1.211 15.606 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.537 16.988 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.830 15.174 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.817 15.936 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.395 14.418 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.330 12.373 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.285 12.914 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.881 13.210 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.142 14.015 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.647 14.914 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.231 15.753 -5.774 1.00 0.00 H new ATOM 503 N ILE A 36 -3.585 17.964 -2.939 1.00 0.00 N ATOM 504 CA ILE A 36 -4.523 19.075 -3.025 1.00 0.00 C ATOM 505 C ILE A 36 -5.124 19.396 -1.659 1.00 0.00 C ATOM 506 O ILE A 36 -4.763 18.786 -0.655 1.00 0.00 O ATOM 507 CB ILE A 36 -5.662 18.777 -4.017 1.00 0.00 C ATOM 508 CG1 ILE A 36 -6.445 17.542 -3.570 1.00 0.00 C ATOM 509 CG2 ILE A 36 -5.105 18.580 -5.419 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.904 17.573 -3.973 1.00 0.00 C ATOM 0 H ILE A 36 -3.960 17.130 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.958 19.936 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.342 19.629 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.978 16.653 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.378 17.452 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.922 18.370 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.587 19.485 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.406 17.743 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.397 16.666 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.386 18.443 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.980 17.632 -5.059 1.00 0.00 H new ATOM 522 N ASN A 37 -6.041 20.356 -1.635 1.00 0.00 N ATOM 523 CA ASN A 37 -6.694 20.757 -0.392 1.00 0.00 C ATOM 524 C ASN A 37 -6.881 19.560 0.535 1.00 0.00 C ATOM 525 O ASN A 37 -6.784 19.685 1.754 1.00 0.00 O ATOM 526 CB ASN A 37 -8.049 21.404 -0.689 1.00 0.00 C ATOM 527 CG ASN A 37 -8.861 20.609 -1.693 1.00 0.00 C ATOM 528 OD1 ASN A 37 -8.554 20.594 -2.884 1.00 0.00 O ATOM 529 ND2 ASN A 37 -9.905 19.942 -1.213 1.00 0.00 N ATOM 0 H ASN A 37 -6.350 20.871 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.054 21.484 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.614 21.499 0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.891 22.413 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.489 19.389 -1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.123 19.983 -0.217 1.00 0.00 H new ATOM 536 N GLY A 38 -7.149 18.398 -0.055 1.00 0.00 N ATOM 537 CA GLY A 38 -7.345 17.195 0.732 1.00 0.00 C ATOM 538 C GLY A 38 -7.442 15.949 -0.127 1.00 0.00 C ATOM 539 O GLY A 38 -8.445 15.734 -0.808 1.00 0.00 O ATOM 0 H GLY A 38 -7.234 18.269 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.518 17.085 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.255 17.296 1.324 1.00 0.00 H new ATOM 543 N SER A 39 -6.397 15.129 -0.096 1.00 0.00 N ATOM 544 CA SER A 39 -6.366 13.901 -0.882 1.00 0.00 C ATOM 545 C SER A 39 -6.311 12.676 0.025 1.00 0.00 C ATOM 546 O SER A 39 -5.857 12.754 1.167 1.00 0.00 O ATOM 547 CB SER A 39 -5.163 13.905 -1.827 1.00 0.00 C ATOM 548 OG SER A 39 -5.388 14.755 -2.938 1.00 0.00 O ATOM 0 H SER A 39 -5.561 15.292 0.465 1.00 0.00 H new ATOM 0 HA SER A 39 -7.282 13.854 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.275 14.234 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.967 12.891 -2.175 1.00 0.00 H new ATOM 0 HG SER A 39 -4.897 14.415 -3.715 1.00 0.00 H new ATOM 554 N PHE A 40 -6.778 11.544 -0.491 1.00 0.00 N ATOM 555 CA PHE A 40 -6.784 10.301 0.272 1.00 0.00 C ATOM 556 C PHE A 40 -6.233 9.148 -0.562 1.00 0.00 C ATOM 557 O PHE A 40 -6.119 9.249 -1.784 1.00 0.00 O ATOM 558 CB PHE A 40 -8.203 9.972 0.742 1.00 0.00 C ATOM 559 CG PHE A 40 -9.061 9.361 -0.327 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.767 10.163 -1.209 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.162 7.985 -0.451 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.560 9.603 -2.193 1.00 0.00 C ATOM 563 CE2 PHE A 40 -9.952 7.418 -1.433 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.652 8.229 -2.307 1.00 0.00 C ATOM 0 H PHE A 40 -7.157 11.462 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.142 10.436 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.147 9.287 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.679 10.884 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.697 11.238 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.616 7.347 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.108 10.239 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.022 6.344 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.269 7.790 -3.077 1.00 0.00 H new ATOM 574 N LEU A 41 -5.890 8.053 0.106 1.00 0.00 N ATOM 575 CA LEU A 41 -5.350 6.880 -0.572 1.00 0.00 C ATOM 576 C LEU A 41 -5.622 5.612 0.233 1.00 0.00 C ATOM 577 O LEU A 41 -5.800 5.663 1.450 1.00 0.00 O ATOM 578 CB LEU A 41 -3.846 7.043 -0.795 1.00 0.00 C ATOM 579 CG LEU A 41 -2.942 6.554 0.338 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.694 5.059 0.214 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.626 7.317 0.337 1.00 0.00 C ATOM 0 H LEU A 41 -5.976 7.953 1.117 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.847 6.789 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.574 6.509 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.637 8.098 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.446 6.741 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.049 4.728 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.644 4.527 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.211 4.848 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.996 6.956 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.116 7.162 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.822 8.380 0.475 1.00 0.00 H new ATOM 593 N VAL A 42 -5.652 4.475 -0.455 1.00 0.00 N ATOM 594 CA VAL A 42 -5.898 3.195 0.195 1.00 0.00 C ATOM 595 C VAL A 42 -4.755 2.219 -0.061 1.00 0.00 C ATOM 596 O VAL A 42 -4.524 1.803 -1.197 1.00 0.00 O ATOM 597 CB VAL A 42 -7.217 2.562 -0.291 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.309 1.111 0.153 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.409 3.360 0.218 1.00 0.00 C ATOM 0 H VAL A 42 -5.509 4.415 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.970 3.393 1.264 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.231 2.585 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.247 0.681 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.473 0.549 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.273 1.061 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.332 2.900 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.401 3.370 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.348 4.382 -0.155 1.00 0.00 H new ATOM 609 N ARG A 43 -4.045 1.856 1.001 1.00 0.00 N ATOM 610 CA ARG A 43 -2.924 0.929 0.890 1.00 0.00 C ATOM 611 C ARG A 43 -3.175 -0.327 1.719 1.00 0.00 C ATOM 612 O ARG A 43 -4.157 -0.411 2.455 1.00 0.00 O ATOM 613 CB ARG A 43 -1.630 1.604 1.347 1.00 0.00 C ATOM 614 CG ARG A 43 -1.699 2.162 2.760 1.00 0.00 C ATOM 615 CD ARG A 43 -0.415 2.886 3.136 1.00 0.00 C ATOM 616 NE ARG A 43 0.584 1.975 3.690 1.00 0.00 N ATOM 617 CZ ARG A 43 0.445 1.353 4.854 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.646 1.541 5.585 1.00 0.00 N ATOM 619 NH2 ARG A 43 1.399 0.540 5.291 1.00 0.00 N ATOM 0 H ARG A 43 -4.225 2.189 1.948 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.825 0.640 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.814 0.883 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.389 2.413 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.542 2.848 2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.880 1.350 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.006 3.380 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.638 3.666 3.864 1.00 0.00 H new ATOM 0 HE ARG A 43 1.435 1.808 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.381 2.165 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.750 1.061 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.239 0.393 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.292 0.062 6.186 1.00 0.00 H new ATOM 633 N GLU A 44 -2.280 -1.302 1.592 1.00 0.00 N ATOM 634 CA GLU A 44 -2.406 -2.554 2.328 1.00 0.00 C ATOM 635 C GLU A 44 -1.242 -2.736 3.296 1.00 0.00 C ATOM 636 O GLU A 44 -0.241 -2.023 3.222 1.00 0.00 O ATOM 637 CB GLU A 44 -2.467 -3.737 1.358 1.00 0.00 C ATOM 638 CG GLU A 44 -2.860 -5.048 2.021 1.00 0.00 C ATOM 639 CD GLU A 44 -3.144 -6.148 1.015 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.099 -5.995 0.225 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.413 -7.159 1.020 1.00 0.00 O ATOM 0 H GLU A 44 -1.461 -1.249 0.987 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.331 -2.516 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.182 -3.511 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.493 -3.857 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.059 -5.368 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.744 -4.888 2.638 1.00 0.00 H new ATOM 649 N SER A 45 -1.379 -3.697 4.206 1.00 0.00 N ATOM 650 CA SER A 45 -0.342 -3.969 5.192 1.00 0.00 C ATOM 651 C SER A 45 0.395 -5.264 4.862 1.00 0.00 C ATOM 652 O SER A 45 -0.220 -6.261 4.487 1.00 0.00 O ATOM 653 CB SER A 45 -0.950 -4.059 6.593 1.00 0.00 C ATOM 654 OG SER A 45 0.009 -4.500 7.538 1.00 0.00 O ATOM 0 H SER A 45 -2.199 -4.299 4.279 1.00 0.00 H new ATOM 0 HA SER A 45 0.373 -3.147 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.335 -3.083 6.889 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.797 -4.745 6.582 1.00 0.00 H new ATOM 0 HG SER A 45 -0.404 -4.548 8.425 1.00 0.00 H new ATOM 660 N GLU A 46 1.717 -5.239 5.003 1.00 0.00 N ATOM 661 CA GLU A 46 2.538 -6.410 4.718 1.00 0.00 C ATOM 662 C GLU A 46 2.489 -7.403 5.876 1.00 0.00 C ATOM 663 O GLU A 46 1.904 -7.123 6.922 1.00 0.00 O ATOM 664 CB GLU A 46 3.986 -5.992 4.450 1.00 0.00 C ATOM 665 CG GLU A 46 4.248 -5.596 3.007 1.00 0.00 C ATOM 666 CD GLU A 46 5.706 -5.281 2.744 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.307 -4.539 3.551 1.00 0.00 O ATOM 668 OE2 GLU A 46 6.249 -5.774 1.734 1.00 0.00 O ATOM 0 H GLU A 46 2.242 -4.421 5.313 1.00 0.00 H new ATOM 0 HA GLU A 46 2.137 -6.896 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.240 -5.154 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.648 -6.815 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.931 -6.405 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.641 -4.725 2.757 1.00 0.00 H new ATOM 676 N SER A 47 3.108 -8.562 5.680 1.00 0.00 N ATOM 677 CA SER A 47 3.131 -9.599 6.705 1.00 0.00 C ATOM 678 C SER A 47 1.832 -9.604 7.504 1.00 0.00 C ATOM 679 O SER A 47 1.834 -9.831 8.713 1.00 0.00 O ATOM 680 CB SER A 47 4.321 -9.388 7.645 1.00 0.00 C ATOM 681 OG SER A 47 4.695 -10.603 8.271 1.00 0.00 O ATOM 0 H SER A 47 3.600 -8.807 4.821 1.00 0.00 H new ATOM 0 HA SER A 47 3.234 -10.564 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.166 -8.989 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.064 -8.648 8.403 1.00 0.00 H new ATOM 0 HG SER A 47 3.913 -11.000 8.708 1.00 0.00 H new ATOM 687 N SER A 48 0.722 -9.352 6.817 1.00 0.00 N ATOM 688 CA SER A 48 -0.586 -9.323 7.462 1.00 0.00 C ATOM 689 C SER A 48 -1.647 -9.955 6.566 1.00 0.00 C ATOM 690 O SER A 48 -1.464 -10.110 5.359 1.00 0.00 O ATOM 691 CB SER A 48 -0.979 -7.883 7.800 1.00 0.00 C ATOM 692 OG SER A 48 -0.548 -7.529 9.101 1.00 0.00 O ATOM 0 H SER A 48 0.702 -9.165 5.814 1.00 0.00 H new ATOM 0 HA SER A 48 -0.523 -9.901 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.540 -7.202 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.061 -7.772 7.729 1.00 0.00 H new ATOM 0 HG SER A 48 -0.810 -6.604 9.292 1.00 0.00 H new ATOM 698 N PRO A 49 -2.785 -10.328 7.171 1.00 0.00 N ATOM 699 CA PRO A 49 -3.898 -10.949 6.448 1.00 0.00 C ATOM 700 C PRO A 49 -4.601 -9.970 5.515 1.00 0.00 C ATOM 701 O PRO A 49 -4.063 -8.915 5.186 1.00 0.00 O ATOM 702 CB PRO A 49 -4.844 -11.394 7.567 1.00 0.00 C ATOM 703 CG PRO A 49 -4.539 -10.482 8.706 1.00 0.00 C ATOM 704 CD PRO A 49 -3.071 -10.173 8.607 1.00 0.00 C ATOM 0 HA PRO A 49 -3.563 -11.763 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.887 -11.310 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.674 -12.436 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.134 -9.571 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.775 -10.955 9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.849 -9.164 8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.475 -10.857 9.211 1.00 0.00 H new ATOM 712 N GLY A 50 -5.811 -10.328 5.092 1.00 0.00 N ATOM 713 CA GLY A 50 -6.568 -9.468 4.201 1.00 0.00 C ATOM 714 C GLY A 50 -7.096 -8.230 4.898 1.00 0.00 C ATOM 715 O GLY A 50 -8.308 -8.052 5.027 1.00 0.00 O ATOM 0 H GLY A 50 -6.279 -11.197 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.935 -9.168 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.403 -10.029 3.782 1.00 0.00 H new ATOM 719 N GLN A 51 -6.186 -7.374 5.350 1.00 0.00 N ATOM 720 CA GLN A 51 -6.567 -6.148 6.040 1.00 0.00 C ATOM 721 C GLN A 51 -6.421 -4.938 5.123 1.00 0.00 C ATOM 722 O GLN A 51 -5.862 -5.038 4.031 1.00 0.00 O ATOM 723 CB GLN A 51 -5.714 -5.957 7.295 1.00 0.00 C ATOM 724 CG GLN A 51 -5.582 -7.215 8.139 1.00 0.00 C ATOM 725 CD GLN A 51 -5.300 -6.912 9.597 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.144 -6.864 10.021 1.00 0.00 O ATOM 727 NE2 GLN A 51 -6.356 -6.704 10.375 1.00 0.00 N ATOM 0 H GLN A 51 -5.180 -7.507 5.251 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.614 -6.236 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.720 -5.621 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.151 -5.165 7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.501 -7.797 8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.779 -7.834 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.296 -6.753 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.227 -6.495 11.365 1.00 0.00 H new ATOM 736 N LEU A 52 -6.929 -3.796 5.573 1.00 0.00 N ATOM 737 CA LEU A 52 -6.857 -2.566 4.792 1.00 0.00 C ATOM 738 C LEU A 52 -6.733 -1.350 5.703 1.00 0.00 C ATOM 739 O LEU A 52 -6.986 -1.433 6.904 1.00 0.00 O ATOM 740 CB LEU A 52 -8.095 -2.429 3.904 1.00 0.00 C ATOM 741 CG LEU A 52 -8.253 -3.481 2.805 1.00 0.00 C ATOM 742 CD1 LEU A 52 -9.608 -3.346 2.129 1.00 0.00 C ATOM 743 CD2 LEU A 52 -7.131 -3.359 1.784 1.00 0.00 C ATOM 0 H LEU A 52 -7.395 -3.696 6.475 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.969 -2.616 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.979 -2.462 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.075 -1.445 3.437 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.194 -4.469 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.703 -4.102 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.398 -3.484 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.696 -2.355 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.260 -4.115 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.157 -2.368 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.171 -3.506 2.279 1.00 0.00 H new ATOM 755 N SER A 53 -6.342 -0.220 5.121 1.00 0.00 N ATOM 756 CA SER A 53 -6.184 1.015 5.881 1.00 0.00 C ATOM 757 C SER A 53 -6.361 2.234 4.981 1.00 0.00 C ATOM 758 O SER A 53 -5.899 2.248 3.838 1.00 0.00 O ATOM 759 CB SER A 53 -4.806 1.055 6.546 1.00 0.00 C ATOM 760 OG SER A 53 -4.671 2.200 7.370 1.00 0.00 O ATOM 0 H SER A 53 -6.129 -0.134 4.127 1.00 0.00 H new ATOM 0 HA SER A 53 -6.954 1.039 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.660 0.154 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.029 1.060 5.781 1.00 0.00 H new ATOM 0 HG SER A 53 -3.783 2.202 7.785 1.00 0.00 H new ATOM 766 N ILE A 54 -7.033 3.254 5.503 1.00 0.00 N ATOM 767 CA ILE A 54 -7.271 4.478 4.748 1.00 0.00 C ATOM 768 C ILE A 54 -6.444 5.634 5.299 1.00 0.00 C ATOM 769 O ILE A 54 -6.767 6.200 6.344 1.00 0.00 O ATOM 770 CB ILE A 54 -8.760 4.871 4.769 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.599 3.818 4.041 1.00 0.00 C ATOM 772 CG2 ILE A 54 -8.954 6.241 4.136 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.032 3.751 4.522 1.00 0.00 C ATOM 0 H ILE A 54 -7.422 3.257 6.446 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.970 4.278 3.720 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.093 4.920 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.592 4.034 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.134 2.841 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.011 6.506 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.383 6.983 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.607 6.217 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.568 2.984 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.048 3.504 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.514 4.716 4.366 1.00 0.00 H new ATOM 785 N SER A 55 -5.375 5.981 4.588 1.00 0.00 N ATOM 786 CA SER A 55 -4.499 7.069 5.008 1.00 0.00 C ATOM 787 C SER A 55 -4.805 8.343 4.228 1.00 0.00 C ATOM 788 O SER A 55 -4.340 8.523 3.100 1.00 0.00 O ATOM 789 CB SER A 55 -3.034 6.676 4.811 1.00 0.00 C ATOM 790 OG SER A 55 -2.657 5.645 5.706 1.00 0.00 O ATOM 0 H SER A 55 -5.095 5.525 3.720 1.00 0.00 H new ATOM 0 HA SER A 55 -4.677 7.260 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.878 6.345 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.397 7.547 4.966 1.00 0.00 H new ATOM 0 HG SER A 55 -1.717 5.411 5.558 1.00 0.00 H new ATOM 796 N LEU A 56 -5.591 9.227 4.834 1.00 0.00 N ATOM 797 CA LEU A 56 -5.960 10.486 4.197 1.00 0.00 C ATOM 798 C LEU A 56 -5.297 11.667 4.901 1.00 0.00 C ATOM 799 O LEU A 56 -5.476 11.867 6.102 1.00 0.00 O ATOM 800 CB LEU A 56 -7.479 10.659 4.209 1.00 0.00 C ATOM 801 CG LEU A 56 -8.063 11.387 5.420 1.00 0.00 C ATOM 802 CD1 LEU A 56 -7.881 12.891 5.278 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.534 11.042 5.594 1.00 0.00 C ATOM 0 H LEU A 56 -5.985 9.095 5.766 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.611 10.459 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.770 11.202 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.937 9.672 4.148 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.526 11.058 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.303 13.392 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.819 13.124 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.391 13.236 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.931 11.570 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.086 11.341 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.641 9.968 5.743 1.00 0.00 H new ATOM 815 N ARG A 57 -4.533 12.447 4.143 1.00 0.00 N ATOM 816 CA ARG A 57 -3.844 13.608 4.694 1.00 0.00 C ATOM 817 C ARG A 57 -4.688 14.869 4.530 1.00 0.00 C ATOM 818 O ARG A 57 -4.706 15.481 3.461 1.00 0.00 O ATOM 819 CB ARG A 57 -2.489 13.796 4.008 1.00 0.00 C ATOM 820 CG ARG A 57 -1.555 14.736 4.752 1.00 0.00 C ATOM 821 CD ARG A 57 -1.733 16.176 4.295 1.00 0.00 C ATOM 822 NE ARG A 57 -0.595 17.012 4.668 1.00 0.00 N ATOM 823 CZ ARG A 57 -0.512 18.308 4.386 1.00 0.00 C ATOM 824 NH1 ARG A 57 -1.496 18.911 3.731 1.00 0.00 N ATOM 825 NH2 ARG A 57 0.555 19.002 4.758 1.00 0.00 N ATOM 0 H ARG A 57 -4.376 12.296 3.147 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.684 13.434 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.006 12.824 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.651 14.180 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.745 14.667 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.522 14.427 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.861 16.200 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.643 16.586 4.733 1.00 0.00 H new ATOM 0 HE ARG A 57 0.178 16.578 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.318 18.380 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.431 19.906 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.313 18.541 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.618 19.997 4.541 1.00 0.00 H new ATOM 839 N TYR A 58 -5.386 15.249 5.594 1.00 0.00 N ATOM 840 CA TYR A 58 -6.235 16.435 5.567 1.00 0.00 C ATOM 841 C TYR A 58 -5.509 17.637 6.165 1.00 0.00 C ATOM 842 O TYR A 58 -4.596 17.484 6.975 1.00 0.00 O ATOM 843 CB TYR A 58 -7.532 16.177 6.333 1.00 0.00 C ATOM 844 CG TYR A 58 -8.546 17.291 6.201 1.00 0.00 C ATOM 845 CD1 TYR A 58 -8.695 17.983 5.006 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.352 17.652 7.273 1.00 0.00 C ATOM 847 CE1 TYR A 58 -9.620 19.003 4.881 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.280 18.670 7.158 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.410 19.342 5.959 1.00 0.00 C ATOM 850 OH TYR A 58 -11.331 20.357 5.842 1.00 0.00 O ATOM 0 H TYR A 58 -5.381 14.754 6.486 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.473 16.657 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.977 15.248 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.298 16.033 7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.078 17.720 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.252 17.128 8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.723 19.531 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.900 18.938 8.001 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.806 20.468 6.692 1.00 0.00 H new ATOM 860 N GLU A 59 -5.925 18.833 5.759 1.00 0.00 N ATOM 861 CA GLU A 59 -5.316 20.061 6.254 1.00 0.00 C ATOM 862 C GLU A 59 -4.828 19.887 7.689 1.00 0.00 C ATOM 863 O GLU A 59 -5.584 20.074 8.641 1.00 0.00 O ATOM 864 CB GLU A 59 -6.316 21.218 6.181 1.00 0.00 C ATOM 865 CG GLU A 59 -7.650 20.911 6.840 1.00 0.00 C ATOM 866 CD GLU A 59 -8.293 22.139 7.455 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.568 22.116 8.674 1.00 0.00 O ATOM 868 OE2 GLU A 59 -8.521 23.121 6.719 1.00 0.00 O ATOM 0 H GLU A 59 -6.681 18.977 5.089 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.458 20.291 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.879 22.096 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.487 21.474 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.327 20.483 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.504 20.156 7.613 1.00 0.00 H new ATOM 876 N GLY A 60 -3.555 19.526 7.835 1.00 0.00 N ATOM 877 CA GLY A 60 -2.987 19.331 9.156 1.00 0.00 C ATOM 878 C GLY A 60 -1.939 18.236 9.181 1.00 0.00 C ATOM 879 O GLY A 60 -0.744 18.508 9.058 1.00 0.00 O ATOM 0 H GLY A 60 -2.909 19.366 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.540 20.265 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.784 19.083 9.858 1.00 0.00 H new ATOM 883 N ARG A 61 -2.386 16.995 9.339 1.00 0.00 N ATOM 884 CA ARG A 61 -1.477 15.855 9.382 1.00 0.00 C ATOM 885 C ARG A 61 -2.073 14.656 8.648 1.00 0.00 C ATOM 886 O ARG A 61 -3.210 14.705 8.179 1.00 0.00 O ATOM 887 CB ARG A 61 -1.166 15.477 10.830 1.00 0.00 C ATOM 888 CG ARG A 61 -0.027 16.279 11.439 1.00 0.00 C ATOM 889 CD ARG A 61 -0.002 16.151 12.954 1.00 0.00 C ATOM 890 NE ARG A 61 0.813 15.023 13.393 1.00 0.00 N ATOM 891 CZ ARG A 61 0.681 14.438 14.579 1.00 0.00 C ATOM 892 NH1 ARG A 61 -0.231 14.872 15.437 1.00 0.00 N ATOM 893 NH2 ARG A 61 1.461 13.416 14.907 1.00 0.00 N ATOM 0 H ARG A 61 -3.372 16.753 9.439 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.552 16.142 8.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.062 15.619 11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.917 14.417 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.922 15.935 11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.132 17.328 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.388 17.071 13.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.020 16.029 13.325 1.00 0.00 H new ATOM 0 HE ARG A 61 1.523 14.664 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.833 15.656 15.188 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.331 14.422 16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.163 13.078 14.249 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.359 12.968 15.818 1.00 0.00 H new ATOM 907 N VAL A 62 -1.296 13.582 8.553 1.00 0.00 N ATOM 908 CA VAL A 62 -1.747 12.370 7.878 1.00 0.00 C ATOM 909 C VAL A 62 -2.552 11.484 8.820 1.00 0.00 C ATOM 910 O VAL A 62 -2.021 10.955 9.797 1.00 0.00 O ATOM 911 CB VAL A 62 -0.558 11.564 7.321 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.011 10.178 6.887 1.00 0.00 C ATOM 913 CG2 VAL A 62 0.093 12.307 6.164 1.00 0.00 C ATOM 0 H VAL A 62 -0.352 13.526 8.935 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.382 12.685 7.050 1.00 0.00 H new ATOM 0 HB VAL A 62 0.183 11.448 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.159 9.622 6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.429 9.647 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.771 10.270 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.931 11.724 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.638 12.455 5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.453 13.276 6.510 1.00 0.00 H new ATOM 923 N TYR A 63 -3.836 11.324 8.521 1.00 0.00 N ATOM 924 CA TYR A 63 -4.716 10.502 9.343 1.00 0.00 C ATOM 925 C TYR A 63 -4.855 9.100 8.758 1.00 0.00 C ATOM 926 O TYR A 63 -4.576 8.875 7.579 1.00 0.00 O ATOM 927 CB TYR A 63 -6.095 11.154 9.462 1.00 0.00 C ATOM 928 CG TYR A 63 -6.048 12.576 9.975 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.121 12.959 10.936 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.934 13.536 9.498 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.076 14.256 11.407 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.895 14.837 9.964 1.00 0.00 C ATOM 933 CZ TYR A 63 -5.964 15.192 10.917 1.00 0.00 C ATOM 934 OH TYR A 63 -5.923 16.485 11.385 1.00 0.00 O ATOM 0 H TYR A 63 -4.291 11.753 7.715 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.272 10.421 10.335 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.578 11.144 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.715 10.556 10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.424 12.230 11.321 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.664 13.261 8.751 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.350 14.537 12.155 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.590 15.571 9.584 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.614 17.017 10.937 1.00 0.00 H new ATOM 944 N HIS A 64 -5.287 8.158 9.591 1.00 0.00 N ATOM 945 CA HIS A 64 -5.464 6.777 9.158 1.00 0.00 C ATOM 946 C HIS A 64 -6.745 6.185 9.739 1.00 0.00 C ATOM 947 O HIS A 64 -7.419 6.817 10.553 1.00 0.00 O ATOM 948 CB HIS A 64 -4.261 5.931 9.577 1.00 0.00 C ATOM 949 CG HIS A 64 -4.207 5.654 11.047 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.159 4.380 11.572 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.192 6.497 12.107 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.117 4.451 12.891 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.136 5.724 13.241 1.00 0.00 N ATOM 0 H HIS A 64 -5.521 8.326 10.569 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.542 6.770 8.071 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.288 4.984 9.038 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.346 6.442 9.278 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.219 7.576 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.074 3.610 13.568 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.113 6.076 14.198 1.00 0.00 H new ATOM 962 N TYR A 65 -7.073 4.970 9.316 1.00 0.00 N ATOM 963 CA TYR A 65 -8.275 4.295 9.793 1.00 0.00 C ATOM 964 C TYR A 65 -8.162 2.783 9.606 1.00 0.00 C ATOM 965 O TYR A 65 -7.935 2.300 8.496 1.00 0.00 O ATOM 966 CB TYR A 65 -9.507 4.819 9.056 1.00 0.00 C ATOM 967 CG TYR A 65 -9.720 6.308 9.213 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.117 7.211 8.347 1.00 0.00 C ATOM 969 CD2 TYR A 65 -10.523 6.810 10.230 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.307 8.572 8.489 1.00 0.00 C ATOM 971 CE2 TYR A 65 -10.720 8.170 10.377 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.110 9.046 9.506 1.00 0.00 C ATOM 973 OH TYR A 65 -10.303 10.402 9.649 1.00 0.00 O ATOM 0 H TYR A 65 -6.525 4.432 8.645 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.380 4.505 10.857 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.413 4.584 7.996 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.389 4.294 9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.489 6.843 7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.001 6.127 10.916 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.830 9.261 7.808 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.349 8.544 11.171 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.455 10.613 10.594 1.00 0.00 H new ATOM 983 N ARG A 66 -8.320 2.046 10.698 1.00 0.00 N ATOM 984 CA ARG A 66 -8.236 0.590 10.657 1.00 0.00 C ATOM 985 C ARG A 66 -9.574 -0.021 10.249 1.00 0.00 C ATOM 986 O ARG A 66 -10.495 -0.118 11.061 1.00 0.00 O ATOM 987 CB ARG A 66 -7.808 0.043 12.020 1.00 0.00 C ATOM 988 CG ARG A 66 -7.054 -1.274 11.938 1.00 0.00 C ATOM 989 CD ARG A 66 -8.006 -2.460 11.947 1.00 0.00 C ATOM 990 NE ARG A 66 -8.658 -2.630 13.243 1.00 0.00 N ATOM 991 CZ ARG A 66 -8.038 -3.085 14.324 1.00 0.00 C ATOM 992 NH1 ARG A 66 -6.755 -3.414 14.267 1.00 0.00 N ATOM 993 NH2 ARG A 66 -8.699 -3.211 15.468 1.00 0.00 N ATOM 0 H ARG A 66 -8.507 2.432 11.624 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.489 0.316 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.179 0.782 12.517 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.693 -0.093 12.642 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.453 -1.295 11.029 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.364 -1.353 12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.764 -2.322 11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.457 -3.367 11.696 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.645 -2.385 13.321 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.242 -3.318 13.391 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.281 -3.764 15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.686 -2.958 15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.220 -3.561 16.298 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.672 -0.429 8.989 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.895 -1.031 8.475 1.00 0.00 C ATOM 1009 C ILE A 67 -11.232 -2.318 9.221 1.00 0.00 C ATOM 1010 O ILE A 67 -10.580 -3.344 9.033 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.783 -1.338 6.970 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.630 -0.040 6.173 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.000 -2.117 6.495 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -10.095 -0.250 4.773 1.00 0.00 C ATOM 0 H ILE A 67 -8.919 -0.354 8.305 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.692 -0.304 8.631 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.897 -1.951 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.599 0.456 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.961 0.631 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.905 -2.326 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.068 -3.056 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.900 -1.528 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.013 0.712 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.112 -0.718 4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.775 -0.896 4.217 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.254 -2.255 10.067 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.678 -3.417 10.841 1.00 0.00 C ATOM 1028 C ASN A 68 -13.111 -4.554 9.922 1.00 0.00 C ATOM 1029 O ASN A 68 -13.049 -4.437 8.698 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.826 -3.039 11.780 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.385 -2.099 12.884 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.250 -2.169 13.357 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -14.281 -1.213 13.300 1.00 0.00 N ATOM 0 H ASN A 68 -12.804 -1.413 10.235 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.829 -3.757 11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.623 -2.569 11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.243 -3.944 12.222 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.041 -0.554 14.040 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.210 -1.191 12.879 1.00 0.00 H new ATOM 1040 N THR A 69 -13.550 -5.656 10.521 1.00 0.00 N ATOM 1041 CA THR A 69 -13.993 -6.816 9.757 1.00 0.00 C ATOM 1042 C THR A 69 -15.035 -7.618 10.530 1.00 0.00 C ATOM 1043 O THR A 69 -14.896 -7.842 11.733 1.00 0.00 O ATOM 1044 CB THR A 69 -12.813 -7.739 9.401 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.762 -6.978 8.796 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.255 -8.844 8.454 1.00 0.00 C ATOM 0 H THR A 69 -13.608 -5.770 11.533 1.00 0.00 H new ATOM 0 HA THR A 69 -14.438 -6.437 8.837 1.00 0.00 H new ATOM 0 HB THR A 69 -12.448 -8.196 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.015 -7.572 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.404 -9.483 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.035 -9.440 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.644 -8.403 7.536 1.00 0.00 H new ATOM 1054 N THR A 70 -16.080 -8.050 9.831 1.00 0.00 N ATOM 1055 CA THR A 70 -17.146 -8.827 10.450 1.00 0.00 C ATOM 1056 C THR A 70 -17.082 -10.288 10.021 1.00 0.00 C ATOM 1057 O THR A 70 -16.249 -10.668 9.199 1.00 0.00 O ATOM 1058 CB THR A 70 -18.533 -8.259 10.097 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.893 -8.639 8.764 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.546 -6.744 10.219 1.00 0.00 C ATOM 0 H THR A 70 -16.211 -7.874 8.835 1.00 0.00 H new ATOM 0 HA THR A 70 -16.999 -8.762 11.528 1.00 0.00 H new ATOM 0 HB THR A 70 -19.258 -8.669 10.800 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.794 -9.025 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.537 -6.367 9.964 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.301 -6.459 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.810 -6.318 9.538 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.969 -11.105 10.582 1.00 0.00 N ATOM 1069 CA ALA A 71 -18.015 -12.524 10.255 1.00 0.00 C ATOM 1070 C ALA A 71 -18.270 -12.736 8.767 1.00 0.00 C ATOM 1071 O ALA A 71 -17.614 -13.556 8.126 1.00 0.00 O ATOM 1072 CB ALA A 71 -19.086 -13.222 11.080 1.00 0.00 C ATOM 0 H ALA A 71 -18.665 -10.807 11.265 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.045 -12.959 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.109 -14.281 10.825 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.860 -13.109 12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.058 -12.776 10.867 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.227 -11.992 8.223 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.568 -12.098 6.809 1.00 0.00 C ATOM 1080 C ASP A 72 -18.588 -11.301 5.952 1.00 0.00 C ATOM 1081 O ASP A 72 -18.988 -10.600 5.025 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.994 -11.603 6.569 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.602 -12.180 5.307 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.036 -13.351 5.337 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.646 -11.461 4.287 1.00 0.00 O ATOM 0 H ASP A 72 -19.780 -11.309 8.740 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.503 -13.148 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.616 -11.869 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.992 -10.515 6.503 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.303 -11.415 6.271 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.287 -10.701 5.523 1.00 0.00 C ATOM 1093 C GLY A 73 -16.766 -9.344 5.044 1.00 0.00 C ATOM 1094 O GLY A 73 -16.896 -9.112 3.842 1.00 0.00 O ATOM 0 H GLY A 73 -16.948 -11.990 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.404 -10.571 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.984 -11.300 4.664 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.033 -8.447 5.986 1.00 0.00 N ATOM 1099 CA LYS A 74 -17.502 -7.106 5.655 1.00 0.00 C ATOM 1100 C LYS A 74 -16.517 -6.048 6.145 1.00 0.00 C ATOM 1101 O LYS A 74 -15.788 -6.265 7.112 1.00 0.00 O ATOM 1102 CB LYS A 74 -18.880 -6.858 6.272 1.00 0.00 C ATOM 1103 CG LYS A 74 -19.903 -7.926 5.925 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.316 -7.370 5.943 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.259 -8.214 5.098 1.00 0.00 C ATOM 1106 NZ LYS A 74 -23.647 -7.675 5.108 1.00 0.00 N ATOM 0 H LYS A 74 -16.933 -8.624 6.986 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.578 -7.033 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.779 -6.802 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.250 -5.889 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.684 -8.334 4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.826 -8.750 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.680 -7.333 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.310 -6.346 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.892 -8.252 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.264 -9.238 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.258 -8.278 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.007 -7.662 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.646 -6.707 4.727 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.501 -4.904 5.469 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.607 -3.812 5.836 1.00 0.00 C ATOM 1122 C VAL A 75 -16.383 -2.519 6.066 1.00 0.00 C ATOM 1123 O VAL A 75 -17.268 -2.168 5.286 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.540 -3.571 4.752 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.520 -4.698 4.747 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.193 -3.425 3.386 1.00 0.00 C ATOM 0 H VAL A 75 -17.097 -4.709 4.664 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.113 -4.106 6.762 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.017 -2.642 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.774 -4.510 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.030 -4.750 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.023 -5.643 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.425 -3.255 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.742 -4.335 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.881 -2.579 3.400 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.047 -1.817 7.142 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.714 -0.564 7.476 1.00 0.00 C ATOM 1138 C TYR A 76 -16.041 0.109 8.670 1.00 0.00 C ATOM 1139 O TYR A 76 -15.896 -0.491 9.735 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.190 -0.815 7.783 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.435 -1.380 9.164 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.076 -2.686 9.476 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -19.025 -0.609 10.158 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.297 -3.206 10.735 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -19.250 -1.121 11.421 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.884 -2.420 11.704 1.00 0.00 C ATOM 1147 OH TYR A 76 -19.108 -2.935 12.961 1.00 0.00 O ATOM 0 H TYR A 76 -15.317 -2.094 7.798 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.637 0.101 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.738 0.122 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.595 -1.504 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.616 -3.305 8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.313 0.409 9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.012 -4.223 10.960 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.710 -0.508 12.182 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.527 -2.252 13.525 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.634 1.360 8.482 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.978 2.117 9.543 1.00 0.00 C ATOM 1159 C VAL A 77 -15.929 3.140 10.154 1.00 0.00 C ATOM 1160 O VAL A 77 -15.831 4.337 9.881 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.725 2.844 9.019 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.717 1.847 8.472 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.106 3.866 7.958 1.00 0.00 C ATOM 0 H VAL A 77 -15.746 1.871 7.606 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.680 1.400 10.308 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.260 3.373 9.851 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.839 2.380 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.420 1.158 9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.168 1.286 7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.208 4.370 7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.596 3.361 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.787 4.600 8.388 1.00 0.00 H new ATOM 1173 N THR A 78 -16.850 2.662 10.984 1.00 0.00 N ATOM 1174 CA THR A 78 -17.818 3.533 11.636 1.00 0.00 C ATOM 1175 C THR A 78 -18.683 2.755 12.621 1.00 0.00 C ATOM 1176 O THR A 78 -18.563 1.537 12.739 1.00 0.00 O ATOM 1177 CB THR A 78 -18.730 4.227 10.607 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.827 4.864 11.273 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.260 3.227 9.590 1.00 0.00 C ATOM 0 H THR A 78 -16.946 1.674 11.221 1.00 0.00 H new ATOM 0 HA THR A 78 -17.249 4.290 12.176 1.00 0.00 H new ATOM 0 HB THR A 78 -18.140 4.977 10.081 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.817 5.824 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.901 3.741 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.424 2.766 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.835 2.456 10.103 1.00 0.00 H new ATOM 1187 N ALA A 79 -19.558 3.468 13.325 1.00 0.00 N ATOM 1188 CA ALA A 79 -20.445 2.843 14.298 1.00 0.00 C ATOM 1189 C ALA A 79 -21.895 3.242 14.053 1.00 0.00 C ATOM 1190 O ALA A 79 -22.788 2.872 14.816 1.00 0.00 O ATOM 1191 CB ALA A 79 -20.024 3.215 15.712 1.00 0.00 C ATOM 0 H ALA A 79 -19.671 4.478 13.239 1.00 0.00 H new ATOM 0 HA ALA A 79 -20.368 1.762 14.181 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.695 2.741 16.428 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.004 2.873 15.890 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.070 4.297 15.833 1.00 0.00 H new ATOM 1197 N GLU A 80 -22.124 3.999 12.984 1.00 0.00 N ATOM 1198 CA GLU A 80 -23.469 4.448 12.641 1.00 0.00 C ATOM 1199 C GLU A 80 -24.121 3.498 11.642 1.00 0.00 C ATOM 1200 O GLU A 80 -25.337 3.307 11.655 1.00 0.00 O ATOM 1201 CB GLU A 80 -23.423 5.863 12.061 1.00 0.00 C ATOM 1202 CG GLU A 80 -23.590 6.956 13.104 1.00 0.00 C ATOM 1203 CD GLU A 80 -25.038 7.364 13.293 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -25.593 8.017 12.386 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -25.616 7.031 14.349 1.00 0.00 O ATOM 0 H GLU A 80 -21.397 4.314 12.342 1.00 0.00 H new ATOM 0 HA GLU A 80 -24.067 4.455 13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.472 6.005 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -24.208 5.965 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -23.187 6.610 14.056 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -23.006 7.828 12.808 1.00 0.00 H new ATOM 1213 N SER A 81 -23.304 2.904 10.778 1.00 0.00 N ATOM 1214 CA SER A 81 -23.803 1.976 9.769 1.00 0.00 C ATOM 1215 C SER A 81 -22.714 0.993 9.350 1.00 0.00 C ATOM 1216 O SER A 81 -21.589 1.049 9.845 1.00 0.00 O ATOM 1217 CB SER A 81 -24.312 2.743 8.547 1.00 0.00 C ATOM 1218 OG SER A 81 -25.686 3.062 8.680 1.00 0.00 O ATOM 0 H SER A 81 -22.295 3.048 10.756 1.00 0.00 H new ATOM 0 HA SER A 81 -24.628 1.413 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.734 3.658 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 81 -24.160 2.144 7.649 1.00 0.00 H new ATOM 0 HG SER A 81 -25.894 3.225 9.624 1.00 0.00 H new ATOM 1224 N ARG A 82 -23.058 0.095 8.433 1.00 0.00 N ATOM 1225 CA ARG A 82 -22.111 -0.901 7.946 1.00 0.00 C ATOM 1226 C ARG A 82 -22.132 -0.974 6.423 1.00 0.00 C ATOM 1227 O ARG A 82 -23.045 -0.456 5.779 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.435 -2.275 8.538 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.898 -2.474 9.945 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.775 -3.949 10.292 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.081 -4.585 10.454 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.828 -4.461 11.546 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.400 -3.731 12.566 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.005 -5.068 11.618 1.00 0.00 N ATOM 0 H ARG A 82 -23.985 0.037 8.012 1.00 0.00 H new ATOM 0 HA ARG A 82 -21.112 -0.601 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.516 -2.411 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -22.023 -3.047 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.923 -1.996 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.559 -1.985 10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.218 -4.461 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.202 -4.058 11.213 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.438 -5.155 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.495 -3.263 12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.975 -3.637 13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.337 -5.631 10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.578 -4.972 12.457 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.120 -1.619 5.853 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.022 -1.759 4.404 1.00 0.00 C ATOM 1250 C PHE A 83 -20.770 -3.211 4.013 1.00 0.00 C ATOM 1251 O PHE A 83 -20.292 -4.010 4.820 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.901 -0.870 3.859 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.006 0.563 4.296 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -20.982 1.392 3.767 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.130 1.081 5.235 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.082 2.710 4.167 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.225 2.400 5.639 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.202 3.217 5.103 1.00 0.00 C ATOM 0 H PHE A 83 -20.356 -2.053 6.371 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.971 -1.444 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.940 -1.271 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.913 -0.911 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.673 1.003 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.364 0.447 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.849 3.345 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.536 2.791 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.277 4.248 5.415 1.00 0.00 H new ATOM 1268 N SER A 84 -21.095 -3.549 2.769 1.00 0.00 N ATOM 1269 CA SER A 84 -20.908 -4.906 2.271 1.00 0.00 C ATOM 1270 C SER A 84 -19.489 -5.101 1.743 1.00 0.00 C ATOM 1271 O SER A 84 -18.753 -5.971 2.211 1.00 0.00 O ATOM 1272 CB SER A 84 -21.922 -5.211 1.167 1.00 0.00 C ATOM 1273 OG SER A 84 -23.247 -5.175 1.668 1.00 0.00 O ATOM 0 H SER A 84 -21.489 -2.901 2.087 1.00 0.00 H new ATOM 0 HA SER A 84 -21.066 -5.596 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.815 -4.486 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.717 -6.194 0.742 1.00 0.00 H new ATOM 0 HG SER A 84 -23.876 -5.371 0.943 1.00 0.00 H new ATOM 1279 N THR A 85 -19.113 -4.285 0.763 1.00 0.00 N ATOM 1280 CA THR A 85 -17.784 -4.367 0.170 1.00 0.00 C ATOM 1281 C THR A 85 -17.027 -3.055 0.333 1.00 0.00 C ATOM 1282 O THR A 85 -17.594 -2.048 0.760 1.00 0.00 O ATOM 1283 CB THR A 85 -17.858 -4.721 -1.328 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.414 -3.624 -2.062 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.705 -5.965 -1.548 1.00 0.00 C ATOM 0 H THR A 85 -19.710 -3.560 0.364 1.00 0.00 H new ATOM 0 HA THR A 85 -17.251 -5.158 0.697 1.00 0.00 H new ATOM 0 HB THR A 85 -16.847 -4.921 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.457 -3.855 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.743 -6.196 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.265 -6.805 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.715 -5.787 -1.179 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.744 -3.071 -0.009 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.907 -1.880 0.098 1.00 0.00 C ATOM 1295 C LEU A 86 -15.432 -0.763 -0.798 1.00 0.00 C ATOM 1296 O LEU A 86 -15.674 0.354 -0.340 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.462 -2.213 -0.274 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.429 -1.121 0.003 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.288 -0.888 1.499 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.086 -1.487 -0.610 1.00 0.00 C ATOM 0 H LEU A 86 -15.260 -3.896 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.938 -1.535 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.166 -3.111 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.428 -2.456 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.775 -0.196 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.548 -0.107 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.249 -0.579 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.966 -1.810 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.364 -0.697 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.733 -2.424 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.197 -1.602 -1.688 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.608 -1.073 -2.079 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.108 -0.097 -3.040 1.00 0.00 C ATOM 1314 C ALA A 87 -17.221 0.749 -2.432 1.00 0.00 C ATOM 1315 O ALA A 87 -17.319 1.946 -2.699 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.601 -0.798 -4.296 1.00 0.00 C ATOM 0 H ALA A 87 -15.412 -1.992 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.287 0.568 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.971 -0.057 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.780 -1.354 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.406 -1.486 -4.037 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.060 0.121 -1.615 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.167 0.815 -0.971 1.00 0.00 C ATOM 1324 C GLU A 88 -18.671 1.668 0.194 1.00 0.00 C ATOM 1325 O GLU A 88 -19.216 2.737 0.474 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.211 -0.186 -0.477 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.705 -1.134 -1.556 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.562 -0.438 -2.597 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.227 -0.528 -3.796 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.565 0.196 -2.211 1.00 0.00 O ATOM 0 H GLU A 88 -17.993 -0.870 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.628 1.471 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.785 -0.769 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.061 0.361 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.849 -1.598 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.281 -1.936 -1.094 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.634 1.187 0.870 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.063 1.903 2.006 1.00 0.00 C ATOM 1340 C LEU A 89 -16.353 3.172 1.549 1.00 0.00 C ATOM 1341 O LEU A 89 -16.550 4.246 2.120 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.085 1.001 2.762 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.085 1.713 3.674 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.682 0.812 4.831 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -13.859 2.150 2.884 1.00 0.00 C ATOM 0 H LEU A 89 -17.171 0.305 0.652 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.878 2.186 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.661 0.299 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.527 0.412 2.034 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.565 2.602 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.970 1.336 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.566 0.549 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.221 -0.096 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.158 2.655 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.378 1.276 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.162 2.833 2.090 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.529 3.044 0.515 1.00 0.00 N ATOM 1358 CA VAL A 90 -14.793 4.182 -0.022 1.00 0.00 C ATOM 1359 C VAL A 90 -15.703 5.087 -0.844 1.00 0.00 C ATOM 1360 O VAL A 90 -15.462 6.290 -0.958 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.613 3.723 -0.902 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -12.995 4.909 -1.625 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.573 2.999 -0.060 1.00 0.00 C ATOM 0 H VAL A 90 -15.354 2.163 0.032 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.406 4.739 0.831 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.989 3.027 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.164 4.567 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.746 5.381 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.631 5.631 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.747 2.682 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.199 3.671 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.027 2.125 0.408 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.751 4.502 -1.416 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.699 5.256 -2.229 1.00 0.00 C ATOM 1375 C HIS A 91 -18.670 6.036 -1.347 1.00 0.00 C ATOM 1376 O HIS A 91 -18.728 7.264 -1.407 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.474 4.316 -3.151 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.495 5.012 -3.996 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.169 5.961 -4.942 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.844 4.892 -4.035 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.271 6.396 -5.525 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -21.302 5.762 -4.993 1.00 0.00 N ATOM 0 H HIS A 91 -16.965 3.508 -1.331 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.136 5.965 -2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.770 3.796 -3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.971 3.557 -2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.447 4.234 -3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.322 7.143 -6.304 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.279 5.897 -5.252 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.430 5.314 -0.529 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.397 5.939 0.366 1.00 0.00 C ATOM 1393 C HIS A 92 -19.745 7.050 1.182 1.00 0.00 C ATOM 1394 O HIS A 92 -20.247 8.174 1.232 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.007 4.895 1.302 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.240 5.368 2.005 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.411 5.679 1.346 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.483 5.582 3.320 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.319 6.065 2.225 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.782 6.015 3.430 1.00 0.00 N ATOM 0 H HIS A 92 -19.395 4.296 -0.468 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.188 6.376 -0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.247 4.000 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.263 4.607 2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.785 5.439 4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.330 6.370 1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.255 6.258 4.301 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.624 6.730 1.820 1.00 0.00 N ATOM 1410 CA HIS A 93 -17.902 7.701 2.634 1.00 0.00 C ATOM 1411 C HIS A 93 -17.637 8.980 1.845 1.00 0.00 C ATOM 1412 O HIS A 93 -17.657 10.080 2.401 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.582 7.108 3.124 1.00 0.00 C ATOM 1414 CG HIS A 93 -16.747 6.118 4.236 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.803 6.148 5.120 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -15.980 5.064 4.603 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.680 5.156 5.985 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.583 4.483 5.692 1.00 0.00 N ATOM 0 H HIS A 93 -18.196 5.805 1.789 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.522 7.948 3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.079 6.623 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -15.933 7.916 3.461 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -18.562 6.830 5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.065 4.741 4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.361 4.934 6.793 1.00 0.00 H new ATOM 1427 N SER A 94 -17.388 8.830 0.548 1.00 0.00 N ATOM 1428 CA SER A 94 -17.114 9.972 -0.316 1.00 0.00 C ATOM 1429 C SER A 94 -18.211 11.026 -0.186 1.00 0.00 C ATOM 1430 O SER A 94 -17.973 12.216 -0.402 1.00 0.00 O ATOM 1431 CB SER A 94 -16.996 9.520 -1.772 1.00 0.00 C ATOM 1432 OG SER A 94 -16.155 10.391 -2.509 1.00 0.00 O ATOM 0 H SER A 94 -17.370 7.928 0.072 1.00 0.00 H new ATOM 0 HA SER A 94 -16.169 10.415 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.598 8.506 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.985 9.492 -2.229 1.00 0.00 H new ATOM 0 HG SER A 94 -15.584 10.895 -1.892 1.00 0.00 H new ATOM 1438 N THR A 95 -19.411 10.580 0.168 1.00 0.00 N ATOM 1439 CA THR A 95 -20.545 11.484 0.325 1.00 0.00 C ATOM 1440 C THR A 95 -20.542 12.135 1.703 1.00 0.00 C ATOM 1441 O THR A 95 -20.434 13.355 1.824 1.00 0.00 O ATOM 1442 CB THR A 95 -21.882 10.746 0.121 1.00 0.00 C ATOM 1443 OG1 THR A 95 -21.936 10.184 -1.194 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.057 11.692 0.322 1.00 0.00 C ATOM 0 H THR A 95 -19.624 9.599 0.352 1.00 0.00 H new ATOM 0 HA THR A 95 -20.443 12.256 -0.438 1.00 0.00 H new ATOM 0 HB THR A 95 -21.947 9.947 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.788 9.715 -1.315 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.991 11.149 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.030 12.096 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.993 12.509 -0.397 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.660 11.313 2.741 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.670 11.810 4.112 1.00 0.00 C ATOM 1454 C VAL A 96 -19.548 11.182 4.931 1.00 0.00 C ATOM 1455 O VAL A 96 -19.301 9.980 4.846 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.016 11.526 4.803 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.307 10.032 4.813 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.018 12.087 6.217 1.00 0.00 C ATOM 0 H VAL A 96 -20.750 10.300 2.659 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.519 12.888 4.059 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.806 12.022 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.262 9.851 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.351 9.663 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.516 9.511 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.977 11.877 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.219 11.622 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.859 13.165 6.181 1.00 0.00 H new ATOM 1468 N ALA A 97 -18.872 12.005 5.727 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.776 11.529 6.564 1.00 0.00 C ATOM 1470 C ALA A 97 -18.197 10.310 7.376 1.00 0.00 C ATOM 1471 O ALA A 97 -17.431 9.358 7.525 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.297 12.641 7.485 1.00 0.00 C ATOM 0 H ALA A 97 -19.064 13.003 5.810 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.954 11.232 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.479 12.273 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.949 13.484 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.119 12.964 8.124 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.417 10.345 7.899 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.939 9.241 8.697 1.00 0.00 C ATOM 1480 C ASP A 98 -18.915 8.787 9.732 1.00 0.00 C ATOM 1481 O ASP A 98 -18.620 7.598 9.847 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.325 8.069 7.794 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.455 7.239 8.373 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.250 6.028 8.591 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -22.544 7.803 8.608 1.00 0.00 O ATOM 0 H ASP A 98 -20.064 11.126 7.785 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.827 9.593 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.622 8.450 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -19.454 7.433 7.637 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.374 9.742 10.482 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.387 9.419 11.496 1.00 0.00 C ATOM 1493 C GLY A 99 -15.973 9.424 10.951 1.00 0.00 C ATOM 1494 O GLY A 99 -15.129 8.642 11.388 1.00 0.00 O ATOM 0 H GLY A 99 -18.601 10.733 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.461 10.137 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.608 8.437 11.914 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.713 10.307 9.992 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.391 10.409 9.386 1.00 0.00 C ATOM 1500 C LEU A 100 -13.880 11.846 9.433 1.00 0.00 C ATOM 1501 O LEU A 100 -14.663 12.794 9.480 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.433 9.918 7.937 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.435 8.403 7.742 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.835 8.047 6.318 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.070 7.819 8.077 1.00 0.00 C ATOM 0 H LEU A 100 -16.400 10.962 9.618 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.707 9.780 9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.325 10.327 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.573 10.331 7.409 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.169 7.971 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.831 6.964 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.835 8.430 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.127 8.492 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.091 6.739 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.316 8.258 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.824 8.041 9.115 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.558 11.999 9.419 1.00 0.00 N ATOM 1518 CA VAL A 101 -11.943 13.320 9.457 1.00 0.00 C ATOM 1519 C VAL A 101 -12.560 14.245 8.414 1.00 0.00 C ATOM 1520 O VAL A 101 -12.751 15.437 8.658 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.423 13.237 9.220 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.125 12.510 7.918 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.808 14.629 9.215 1.00 0.00 C ATOM 0 H VAL A 101 -11.895 11.225 9.382 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.127 13.727 10.451 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.976 12.670 10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.047 12.461 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.531 11.500 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.583 13.048 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.734 14.552 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.258 15.223 8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.991 15.111 10.175 1.00 0.00 H new ATOM 1533 N THR A 102 -12.869 13.688 7.246 1.00 0.00 N ATOM 1534 CA THR A 102 -13.464 14.462 6.164 1.00 0.00 C ATOM 1535 C THR A 102 -13.850 13.564 4.995 1.00 0.00 C ATOM 1536 O THR A 102 -13.126 12.631 4.649 1.00 0.00 O ATOM 1537 CB THR A 102 -12.504 15.555 5.663 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.231 16.548 4.928 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.417 14.959 4.780 1.00 0.00 C ATOM 0 H THR A 102 -12.717 12.704 7.026 1.00 0.00 H new ATOM 0 HA THR A 102 -14.360 14.934 6.567 1.00 0.00 H new ATOM 0 HB THR A 102 -12.033 16.018 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.823 16.665 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.751 15.751 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.846 14.226 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.874 14.472 3.918 1.00 0.00 H new ATOM 1547 N THR A 103 -14.997 13.853 4.387 1.00 0.00 N ATOM 1548 CA THR A 103 -15.479 13.071 3.255 1.00 0.00 C ATOM 1549 C THR A 103 -14.423 12.978 2.161 1.00 0.00 C ATOM 1550 O THR A 103 -13.984 13.994 1.621 1.00 0.00 O ATOM 1551 CB THR A 103 -16.766 13.676 2.662 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.538 15.040 2.290 1.00 0.00 O ATOM 1553 CG2 THR A 103 -17.910 13.603 3.661 1.00 0.00 C ATOM 0 H THR A 103 -15.609 14.622 4.660 1.00 0.00 H new ATOM 0 HA THR A 103 -15.696 12.071 3.631 1.00 0.00 H new ATOM 0 HB THR A 103 -17.039 13.098 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.594 15.162 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.807 14.036 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.100 12.562 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.644 14.159 4.560 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.020 11.754 1.837 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.013 11.528 0.805 1.00 0.00 C ATOM 1563 C LEU A 104 -13.229 12.465 -0.379 1.00 0.00 C ATOM 1564 O LEU A 104 -14.184 12.310 -1.141 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.056 10.073 0.333 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.228 9.018 1.427 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.171 7.619 0.833 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.162 9.187 2.502 1.00 0.00 C ATOM 0 H LEU A 104 -14.375 10.903 2.274 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.033 11.735 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.875 9.967 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.134 9.860 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.206 9.155 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.295 6.882 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.970 7.502 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.207 7.469 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.299 8.428 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.174 9.076 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.249 10.178 2.948 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.334 13.435 -0.530 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.425 14.396 -1.625 1.00 0.00 C ATOM 1582 C HIS A 105 -11.905 13.789 -2.924 1.00 0.00 C ATOM 1583 O HIS A 105 -12.681 13.472 -3.827 1.00 0.00 O ATOM 1584 CB HIS A 105 -11.635 15.662 -1.287 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.017 16.273 0.025 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -13.246 16.856 0.254 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -11.326 16.391 1.182 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -13.293 17.307 1.495 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -12.139 17.037 2.080 1.00 0.00 N ATOM 0 H HIS A 105 -11.537 13.577 0.091 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.474 14.657 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -10.572 15.424 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.786 16.396 -2.078 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -14.001 16.928 -0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -10.321 16.042 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -14.131 17.810 1.953 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.591 13.631 -3.013 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.967 13.065 -4.205 1.00 0.00 C ATOM 1600 C TYR A 106 -8.991 11.953 -3.832 1.00 0.00 C ATOM 1601 O TYR A 106 -8.159 12.096 -2.936 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.238 14.156 -4.990 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.137 15.293 -5.424 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -10.555 16.257 -4.515 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.564 15.404 -6.740 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.377 17.298 -4.905 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -11.384 16.442 -7.140 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.787 17.386 -6.219 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.604 18.421 -6.612 1.00 0.00 O ATOM 0 H TYR A 106 -9.935 13.886 -2.275 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.753 12.640 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.431 14.556 -4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.777 13.711 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.232 16.192 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.250 14.667 -7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.696 18.037 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.707 16.513 -8.168 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.800 18.338 -7.569 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.093 10.817 -4.539 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.228 9.657 -4.303 1.00 0.00 C ATOM 1621 C PRO A 107 -6.788 9.912 -4.734 1.00 0.00 C ATOM 1622 O PRO A 107 -6.450 11.003 -5.190 1.00 0.00 O ATOM 1623 CB PRO A 107 -8.860 8.562 -5.164 1.00 0.00 C ATOM 1624 CG PRO A 107 -9.579 9.296 -6.243 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.062 10.577 -5.622 1.00 0.00 C ATOM 0 HA PRO A 107 -8.166 9.402 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.102 7.895 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.544 7.945 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.918 9.496 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.414 8.709 -6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.070 11.395 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.078 10.480 -5.238 1.00 0.00 H new ATOM 1633 N ALA A 108 -5.943 8.895 -4.588 1.00 0.00 N ATOM 1634 CA ALA A 108 -4.541 9.008 -4.966 1.00 0.00 C ATOM 1635 C ALA A 108 -4.363 8.844 -6.472 1.00 0.00 C ATOM 1636 O ALA A 108 -4.972 7.981 -7.102 1.00 0.00 O ATOM 1637 CB ALA A 108 -3.708 7.977 -4.219 1.00 0.00 C ATOM 0 H ALA A 108 -6.206 7.985 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.196 10.005 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.662 8.073 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.801 8.142 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.063 6.976 -4.464 1.00 0.00 H new