USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 163:sc= -0.0415 (180deg=-0.541) USER MOD Set 1.2: A 89 MET CE :methyl 153:sc= -0.181 (180deg=0) USER MOD Single : A 15 SER OG : rot 35:sc= 0.456 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0.61 (180deg=0.594) USER MOD Single : A 20 ASN : amide:sc= 1.09 K(o=1.1,f=-4.3!) USER MOD Single : A 22 THR OG1 : rot -41:sc= 0.482 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.193 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.08 USER MOD Single : A 44 TYR OH : rot 69:sc= 1.15 USER MOD Single : A 63 HIS : no HD1:sc= -2.03 K(o=-2,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.595 (180deg=-1.17) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.720 6.801 4.989 1.00 0.00 N ATOM 204 CA SER A 15 10.471 6.687 4.249 1.00 0.00 C ATOM 205 C SER A 15 10.140 5.235 3.949 1.00 0.00 C ATOM 206 O SER A 15 11.017 4.439 3.625 1.00 0.00 O ATOM 207 CB SER A 15 10.571 7.481 2.950 1.00 0.00 C ATOM 208 OG SER A 15 10.740 8.856 3.230 1.00 0.00 O ATOM 0 HA SER A 15 9.668 7.093 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.410 7.117 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.671 7.332 2.354 1.00 0.00 H new ATOM 0 HG SER A 15 11.288 8.961 4.036 1.00 0.00 H new ATOM 214 N LEU A 16 8.851 4.913 4.055 1.00 0.00 N ATOM 215 CA LEU A 16 8.330 3.607 3.659 1.00 0.00 C ATOM 216 C LEU A 16 7.697 3.751 2.285 1.00 0.00 C ATOM 217 O LEU A 16 7.358 4.872 1.910 1.00 0.00 O ATOM 218 CB LEU A 16 7.280 3.143 4.671 1.00 0.00 C ATOM 219 CG LEU A 16 6.807 1.702 4.448 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.947 0.724 4.720 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.630 1.392 5.372 1.00 0.00 C ATOM 0 H LEU A 16 8.141 5.549 4.417 1.00 0.00 H new ATOM 0 HA LEU A 16 9.132 2.870 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.693 3.229 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.420 3.811 4.621 1.00 0.00 H new ATOM 0 HG LEU A 16 6.488 1.594 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.598 -0.296 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.776 0.935 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.282 0.833 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.299 0.366 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.941 1.512 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.809 2.077 5.158 1.00 0.00 H new ATOM 233 N LYS A 17 7.551 2.630 1.569 1.00 0.00 N ATOM 234 CA LYS A 17 6.891 2.507 0.276 1.00 0.00 C ATOM 235 C LYS A 17 6.084 1.208 0.301 1.00 0.00 C ATOM 236 O LYS A 17 6.547 0.177 0.782 1.00 0.00 O ATOM 237 CB LYS A 17 7.949 2.501 -0.837 1.00 0.00 C ATOM 238 CG LYS A 17 7.568 1.771 -2.129 1.00 0.00 C ATOM 239 CD LYS A 17 6.446 2.470 -2.891 1.00 0.00 C ATOM 240 CE LYS A 17 5.914 1.559 -4.001 1.00 0.00 C ATOM 241 NZ LYS A 17 6.963 1.154 -4.955 1.00 0.00 N ATOM 0 H LYS A 17 7.913 1.736 1.901 1.00 0.00 H new ATOM 0 HA LYS A 17 6.222 3.345 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.190 3.534 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.858 2.047 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.446 1.695 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.260 0.753 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.639 2.731 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.814 3.402 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.471 0.669 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.119 2.075 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.565 0.485 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.322 1.993 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.743 0.697 -4.440 1.00 0.00 H new ATOM 255 N VAL A 18 4.863 1.265 -0.228 1.00 0.00 N ATOM 256 CA VAL A 18 4.011 0.086 -0.364 1.00 0.00 C ATOM 257 C VAL A 18 3.540 -0.031 -1.793 1.00 0.00 C ATOM 258 O VAL A 18 3.247 0.996 -2.410 1.00 0.00 O ATOM 259 CB VAL A 18 2.810 0.226 0.553 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.654 -0.683 0.113 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.233 -0.099 1.977 1.00 0.00 C ATOM 0 H VAL A 18 4.438 2.126 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 18 4.576 -0.806 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 18 2.448 1.253 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.812 -0.556 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.347 -0.417 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.981 -1.723 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.375 -0.001 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.611 -1.121 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.016 0.591 2.290 1.00 0.00 H new ATOM 271 N ASP A 19 3.488 -1.287 -2.259 1.00 0.00 N ATOM 272 CA ASP A 19 3.339 -1.723 -3.644 1.00 0.00 C ATOM 273 C ASP A 19 2.372 -2.916 -3.750 1.00 0.00 C ATOM 274 O ASP A 19 1.856 -3.395 -2.743 1.00 0.00 O ATOM 275 CB ASP A 19 4.748 -2.121 -4.087 1.00 0.00 C ATOM 276 CG ASP A 19 5.005 -2.119 -5.588 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.537 -3.058 -6.264 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.676 -1.164 -6.042 1.00 0.00 O ATOM 0 H ASP A 19 3.555 -2.082 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 19 2.918 -0.938 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.460 -1.443 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.958 -3.120 -3.704 1.00 0.00 H new ATOM 283 N ASN A 20 2.141 -3.387 -4.981 1.00 0.00 N ATOM 284 CA ASN A 20 1.261 -4.495 -5.349 1.00 0.00 C ATOM 285 C ASN A 20 -0.212 -4.220 -5.059 1.00 0.00 C ATOM 286 O ASN A 20 -0.630 -4.170 -3.904 1.00 0.00 O ATOM 287 CB ASN A 20 1.724 -5.803 -4.715 1.00 0.00 C ATOM 288 CG ASN A 20 1.203 -6.990 -5.521 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.020 -6.903 -6.733 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.952 -8.109 -4.861 1.00 0.00 N ATOM 0 H ASN A 20 2.594 -2.976 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 20 1.336 -4.597 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.813 -5.831 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.365 -5.865 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.598 -8.926 -5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.113 -8.155 -3.855 1.00 0.00 H new ATOM 297 N LEU A 21 -0.993 -4.050 -6.127 1.00 0.00 N ATOM 298 CA LEU A 21 -2.414 -3.752 -6.063 1.00 0.00 C ATOM 299 C LEU A 21 -3.175 -4.584 -7.084 1.00 0.00 C ATOM 300 O LEU A 21 -2.573 -5.198 -7.963 1.00 0.00 O ATOM 301 CB LEU A 21 -2.646 -2.283 -6.411 1.00 0.00 C ATOM 302 CG LEU A 21 -1.769 -1.301 -5.649 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.107 0.075 -6.216 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.031 -1.325 -4.155 1.00 0.00 C ATOM 0 H LEU A 21 -0.640 -4.119 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.762 -3.976 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.477 -2.146 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.691 -2.039 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.718 -1.561 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.509 0.834 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.888 0.092 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.165 0.283 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.379 -0.606 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.072 -1.063 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.831 -2.324 -3.767 1.00 0.00 H new ATOM 316 N THR A 22 -4.506 -4.597 -6.966 1.00 0.00 N ATOM 317 CA THR A 22 -5.371 -5.335 -7.875 1.00 0.00 C ATOM 318 C THR A 22 -6.220 -4.397 -8.721 1.00 0.00 C ATOM 319 O THR A 22 -7.160 -4.851 -9.364 1.00 0.00 O ATOM 320 CB THR A 22 -6.237 -6.328 -7.087 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.841 -7.248 -7.967 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.316 -5.613 -6.275 1.00 0.00 C ATOM 0 H THR A 22 -5.009 -4.094 -6.235 1.00 0.00 H new ATOM 0 HA THR A 22 -4.745 -5.900 -8.565 1.00 0.00 H new ATOM 0 HB THR A 22 -5.584 -6.857 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.156 -6.777 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.909 -6.348 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.846 -4.930 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.964 -5.050 -6.947 1.00 0.00 H new ATOM 329 N TYR A 23 -5.888 -3.095 -8.714 1.00 0.00 N ATOM 330 CA TYR A 23 -6.542 -2.012 -9.461 1.00 0.00 C ATOM 331 C TYR A 23 -7.703 -1.395 -8.687 1.00 0.00 C ATOM 332 O TYR A 23 -8.263 -0.379 -9.094 1.00 0.00 O ATOM 333 CB TYR A 23 -6.948 -2.452 -10.871 1.00 0.00 C ATOM 334 CG TYR A 23 -8.422 -2.328 -11.190 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.367 -3.143 -10.547 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.840 -1.388 -12.142 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.729 -3.028 -10.869 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.198 -1.261 -12.462 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.147 -2.084 -11.826 1.00 0.00 C ATOM 340 OH TYR A 23 -12.469 -1.964 -12.135 1.00 0.00 O ATOM 0 H TYR A 23 -5.109 -2.752 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.801 -1.222 -9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.386 -1.860 -11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.650 -3.491 -11.009 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.046 -3.859 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.112 -0.758 -12.631 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.455 -3.663 -10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.516 -0.534 -13.194 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.584 -1.266 -12.813 1.00 0.00 H new ATOM 350 N ARG A 24 -8.060 -2.017 -7.563 1.00 0.00 N ATOM 351 CA ARG A 24 -9.183 -1.600 -6.732 1.00 0.00 C ATOM 352 C ARG A 24 -8.808 -1.517 -5.250 1.00 0.00 C ATOM 353 O ARG A 24 -9.656 -1.221 -4.410 1.00 0.00 O ATOM 354 CB ARG A 24 -10.316 -2.590 -7.002 1.00 0.00 C ATOM 355 CG ARG A 24 -11.625 -2.229 -6.295 1.00 0.00 C ATOM 356 CD ARG A 24 -12.740 -3.144 -6.799 1.00 0.00 C ATOM 357 NE ARG A 24 -14.015 -2.835 -6.144 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.158 -3.484 -6.382 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.205 -4.484 -7.259 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.268 -3.132 -5.740 1.00 0.00 N ATOM 0 H ARG A 24 -7.569 -2.835 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.498 -0.588 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.495 -2.641 -8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.003 -3.584 -6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.511 -2.336 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.880 -1.187 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.846 -3.032 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.474 -4.184 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.030 -2.076 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.361 -4.764 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.085 -4.971 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.246 -2.367 -5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.141 -3.627 -5.921 1.00 0.00 H new ATOM 374 N THR A 25 -7.540 -1.771 -4.916 1.00 0.00 N ATOM 375 CA THR A 25 -7.070 -1.668 -3.540 1.00 0.00 C ATOM 376 C THR A 25 -7.216 -0.238 -3.024 1.00 0.00 C ATOM 377 O THR A 25 -7.569 -0.043 -1.863 1.00 0.00 O ATOM 378 CB THR A 25 -5.614 -2.134 -3.473 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.542 -3.509 -3.779 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.009 -1.881 -2.097 1.00 0.00 C ATOM 0 H THR A 25 -6.822 -2.050 -5.585 1.00 0.00 H new ATOM 0 HA THR A 25 -7.678 -2.307 -2.899 1.00 0.00 H new ATOM 0 HB THR A 25 -5.042 -1.561 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.609 -3.805 -3.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.974 -2.224 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.040 -0.814 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.580 -2.424 -1.343 1.00 0.00 H new ATOM 387 N SER A 26 -6.953 0.753 -3.886 1.00 0.00 N ATOM 388 CA SER A 26 -7.087 2.188 -3.623 1.00 0.00 C ATOM 389 C SER A 26 -6.303 2.734 -2.421 1.00 0.00 C ATOM 390 O SER A 26 -6.002 2.013 -1.473 1.00 0.00 O ATOM 391 CB SER A 26 -8.575 2.520 -3.506 1.00 0.00 C ATOM 392 OG SER A 26 -9.221 2.245 -4.735 1.00 0.00 O ATOM 0 H SER A 26 -6.625 0.564 -4.833 1.00 0.00 H new ATOM 0 HA SER A 26 -6.625 2.695 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.027 1.933 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.704 3.570 -3.243 1.00 0.00 H new ATOM 0 HG SER A 26 -10.175 2.457 -4.658 1.00 0.00 H new ATOM 398 N PRO A 27 -5.965 4.035 -2.449 1.00 0.00 N ATOM 399 CA PRO A 27 -5.217 4.715 -1.396 1.00 0.00 C ATOM 400 C PRO A 27 -5.988 4.794 -0.086 1.00 0.00 C ATOM 401 O PRO A 27 -5.375 4.882 0.974 1.00 0.00 O ATOM 402 CB PRO A 27 -4.936 6.120 -1.934 1.00 0.00 C ATOM 403 CG PRO A 27 -5.968 6.339 -3.033 1.00 0.00 C ATOM 404 CD PRO A 27 -6.275 4.936 -3.548 1.00 0.00 C ATOM 0 HA PRO A 27 -4.305 4.165 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.032 6.869 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.921 6.197 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.864 6.825 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.576 6.977 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.321 4.848 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.675 4.702 -4.427 1.00 0.00 H new ATOM 412 N ASP A 28 -7.324 4.771 -0.135 1.00 0.00 N ATOM 413 CA ASP A 28 -8.139 4.913 1.063 1.00 0.00 C ATOM 414 C ASP A 28 -8.079 3.663 1.934 1.00 0.00 C ATOM 415 O ASP A 28 -7.989 3.756 3.160 1.00 0.00 O ATOM 416 CB ASP A 28 -9.576 5.141 0.617 1.00 0.00 C ATOM 417 CG ASP A 28 -10.493 5.601 1.749 1.00 0.00 C ATOM 418 OD1 ASP A 28 -9.996 6.290 2.667 1.00 0.00 O ATOM 419 OD2 ASP A 28 -11.694 5.254 1.685 1.00 0.00 O ATOM 0 H ASP A 28 -7.859 4.655 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.764 5.748 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.589 5.887 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.969 4.217 0.193 1.00 0.00 H new ATOM 424 N THR A 29 -8.130 2.485 1.303 1.00 0.00 N ATOM 425 CA THR A 29 -8.076 1.235 2.039 1.00 0.00 C ATOM 426 C THR A 29 -6.685 1.111 2.631 1.00 0.00 C ATOM 427 O THR A 29 -6.533 0.738 3.788 1.00 0.00 O ATOM 428 CB THR A 29 -8.336 0.055 1.106 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.507 0.299 0.357 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.528 -1.230 1.906 1.00 0.00 C ATOM 0 H THR A 29 -8.208 2.380 0.291 1.00 0.00 H new ATOM 0 HA THR A 29 -8.837 1.228 2.820 1.00 0.00 H new ATOM 0 HB THR A 29 -7.477 -0.058 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.294 0.276 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.712 -2.060 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.630 -1.433 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.379 -1.117 2.577 1.00 0.00 H new ATOM 437 N LEU A 30 -5.668 1.431 1.825 1.00 0.00 N ATOM 438 CA LEU A 30 -4.293 1.402 2.279 1.00 0.00 C ATOM 439 C LEU A 30 -4.103 2.383 3.427 1.00 0.00 C ATOM 440 O LEU A 30 -3.278 2.147 4.305 1.00 0.00 O ATOM 441 CB LEU A 30 -3.378 1.792 1.115 1.00 0.00 C ATOM 442 CG LEU A 30 -3.425 0.792 -0.036 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.800 1.441 -1.270 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.657 -0.475 0.320 1.00 0.00 C ATOM 0 H LEU A 30 -5.782 1.713 0.852 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.045 0.399 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.666 2.777 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.353 1.875 1.477 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.461 0.519 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.826 0.738 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.362 2.337 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.766 1.711 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.703 -1.175 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.617 -0.224 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.101 -0.934 1.203 1.00 0.00 H new ATOM 456 N ARG A 31 -4.856 3.490 3.437 1.00 0.00 N ATOM 457 CA ARG A 31 -4.677 4.503 4.460 1.00 0.00 C ATOM 458 C ARG A 31 -4.946 3.907 5.829 1.00 0.00 C ATOM 459 O ARG A 31 -4.082 3.937 6.697 1.00 0.00 O ATOM 460 CB ARG A 31 -5.621 5.683 4.200 1.00 0.00 C ATOM 461 CG ARG A 31 -5.059 7.016 4.708 1.00 0.00 C ATOM 462 CD ARG A 31 -4.519 6.932 6.135 1.00 0.00 C ATOM 463 NE ARG A 31 -4.105 8.254 6.625 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.876 9.086 7.331 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.125 8.760 7.656 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.390 10.261 7.722 1.00 0.00 N ATOM 0 H ARG A 31 -5.584 3.697 2.753 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.649 4.864 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.814 5.759 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.579 5.490 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.261 7.345 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.842 7.774 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.285 6.521 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.671 6.248 6.166 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.156 8.560 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.509 7.861 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.698 9.409 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.434 10.522 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.974 10.900 8.261 1.00 0.00 H new ATOM 480 N ARG A 32 -6.146 3.359 6.024 1.00 0.00 N ATOM 481 CA ARG A 32 -6.521 2.793 7.316 1.00 0.00 C ATOM 482 C ARG A 32 -5.945 1.395 7.540 1.00 0.00 C ATOM 483 O ARG A 32 -6.045 0.864 8.644 1.00 0.00 O ATOM 484 CB ARG A 32 -8.048 2.784 7.418 1.00 0.00 C ATOM 485 CG ARG A 32 -8.662 1.832 6.393 1.00 0.00 C ATOM 486 CD ARG A 32 -9.911 2.476 5.810 1.00 0.00 C ATOM 487 NE ARG A 32 -10.582 1.576 4.865 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.307 2.002 3.826 1.00 0.00 C ATOM 489 NH1 ARG A 32 -11.471 3.303 3.613 1.00 0.00 N ATOM 490 NH2 ARG A 32 -11.869 1.129 2.998 1.00 0.00 N ATOM 0 H ARG A 32 -6.869 3.296 5.308 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.095 3.416 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.347 2.484 8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.432 3.792 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.944 1.616 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.913 0.881 6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.597 2.739 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.643 3.404 5.304 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.490 0.570 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.043 3.981 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.025 3.624 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.748 0.128 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.421 1.459 2.207 1.00 0.00 H new ATOM 504 N VAL A 33 -5.346 0.798 6.510 1.00 0.00 N ATOM 505 CA VAL A 33 -4.660 -0.484 6.625 1.00 0.00 C ATOM 506 C VAL A 33 -3.209 -0.303 7.065 1.00 0.00 C ATOM 507 O VAL A 33 -2.586 -1.261 7.517 1.00 0.00 O ATOM 508 CB VAL A 33 -4.723 -1.189 5.273 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.683 -2.301 5.141 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.107 -1.818 5.132 1.00 0.00 C ATOM 0 H VAL A 33 -5.324 1.193 5.570 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.154 -1.087 7.387 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.521 -0.448 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.773 -2.769 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.684 -1.880 5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.850 -3.049 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.178 -2.329 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.265 -2.535 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.868 -1.039 5.186 1.00 0.00 H new ATOM 520 N PHE A 34 -2.663 0.906 6.943 1.00 0.00 N ATOM 521 CA PHE A 34 -1.271 1.153 7.265 1.00 0.00 C ATOM 522 C PHE A 34 -1.126 2.201 8.355 1.00 0.00 C ATOM 523 O PHE A 34 -0.257 2.075 9.212 1.00 0.00 O ATOM 524 CB PHE A 34 -0.562 1.606 5.988 1.00 0.00 C ATOM 525 CG PHE A 34 -0.048 0.463 5.158 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.132 -0.179 5.541 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.742 0.052 4.017 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.619 -1.254 4.786 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.253 -1.018 3.256 1.00 0.00 C ATOM 530 CZ PHE A 34 0.923 -1.680 3.648 1.00 0.00 C ATOM 0 H PHE A 34 -3.172 1.729 6.621 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.821 0.237 7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.252 2.200 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.271 2.257 6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.668 0.153 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.651 0.556 3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.530 -1.753 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.780 -1.334 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.290 -2.517 3.072 1.00 0.00 H new ATOM 540 N GLU A 35 -1.964 3.238 8.347 1.00 0.00 N ATOM 541 CA GLU A 35 -1.860 4.248 9.381 1.00 0.00 C ATOM 542 C GLU A 35 -2.249 3.666 10.735 1.00 0.00 C ATOM 543 O GLU A 35 -1.949 4.240 11.776 1.00 0.00 O ATOM 544 CB GLU A 35 -2.709 5.478 9.043 1.00 0.00 C ATOM 545 CG GLU A 35 -4.181 5.349 9.433 1.00 0.00 C ATOM 546 CD GLU A 35 -4.438 5.695 10.899 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.911 6.732 11.358 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.167 4.914 11.549 1.00 0.00 O ATOM 0 H GLU A 35 -2.698 3.393 7.656 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.821 4.574 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.286 6.347 9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.644 5.667 7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.779 6.005 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.515 4.329 9.241 1.00 0.00 H new ATOM 555 N LYS A 36 -2.930 2.513 10.709 1.00 0.00 N ATOM 556 CA LYS A 36 -3.440 1.871 11.906 1.00 0.00 C ATOM 557 C LYS A 36 -2.310 1.504 12.858 1.00 0.00 C ATOM 558 O LYS A 36 -2.492 1.525 14.072 1.00 0.00 O ATOM 559 CB LYS A 36 -4.225 0.618 11.516 1.00 0.00 C ATOM 560 CG LYS A 36 -3.329 -0.440 10.861 1.00 0.00 C ATOM 561 CD LYS A 36 -4.131 -1.568 10.213 1.00 0.00 C ATOM 562 CE LYS A 36 -5.213 -2.110 11.146 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.817 -3.342 10.605 1.00 0.00 N ATOM 0 H LYS A 36 -3.138 2.005 9.849 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.098 2.571 12.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.697 0.195 12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.026 0.891 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.703 0.036 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.660 -0.860 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.593 -1.204 9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.457 -2.377 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.783 -2.313 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.986 -1.355 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.548 -3.687 11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.248 -3.140 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.082 -4.069 10.493 1.00 0.00 H new ATOM 577 N TYR A 37 -1.143 1.167 12.300 1.00 0.00 N ATOM 578 CA TYR A 37 -0.003 0.803 13.113 1.00 0.00 C ATOM 579 C TYR A 37 0.644 2.039 13.735 1.00 0.00 C ATOM 580 O TYR A 37 1.359 1.920 14.729 1.00 0.00 O ATOM 581 CB TYR A 37 1.010 0.066 12.250 1.00 0.00 C ATOM 582 CG TYR A 37 0.468 -1.222 11.684 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.555 -2.405 12.436 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.127 -1.240 10.415 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.042 -3.603 11.925 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.635 -2.436 9.896 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.559 -3.622 10.650 1.00 0.00 C ATOM 588 OH TYR A 37 -1.075 -4.785 10.162 1.00 0.00 O ATOM 0 H TYR A 37 -0.974 1.142 11.294 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.341 0.157 13.923 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.323 0.714 11.431 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.898 -0.149 12.844 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.019 -2.390 13.411 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.193 -0.330 9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.107 -4.511 12.506 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.086 -2.449 8.915 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.388 -5.257 9.647 1.00 0.00 H new ATOM 598 N GLY A 38 0.395 3.217 13.161 1.00 0.00 N ATOM 599 CA GLY A 38 0.876 4.467 13.729 1.00 0.00 C ATOM 600 C GLY A 38 0.339 5.666 12.953 1.00 0.00 C ATOM 601 O GLY A 38 -0.449 6.438 13.496 1.00 0.00 O ATOM 0 H GLY A 38 -0.140 3.326 12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.569 4.538 14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.966 4.480 13.716 1.00 0.00 H new ATOM 605 N ARG A 39 0.761 5.821 11.696 1.00 0.00 N ATOM 606 CA ARG A 39 0.274 6.897 10.834 1.00 0.00 C ATOM 607 C ARG A 39 0.728 6.676 9.400 1.00 0.00 C ATOM 608 O ARG A 39 1.579 5.833 9.137 1.00 0.00 O ATOM 609 CB ARG A 39 0.823 8.242 11.334 1.00 0.00 C ATOM 610 CG ARG A 39 -0.089 9.424 11.007 1.00 0.00 C ATOM 611 CD ARG A 39 -1.430 9.261 11.716 1.00 0.00 C ATOM 612 NE ARG A 39 -2.227 10.492 11.638 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.564 10.537 11.635 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.294 9.426 11.684 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.185 11.712 11.583 1.00 0.00 N ATOM 0 H ARG A 39 1.445 5.209 11.251 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.816 6.903 10.865 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.966 8.190 12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.804 8.414 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.384 10.356 11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.243 9.488 9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.984 8.437 11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.262 8.999 12.761 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.724 11.378 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.835 8.516 11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.312 9.484 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.642 12.575 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.204 11.750 11.581 1.00 0.00 H new ATOM 629 N VAL A 40 0.147 7.444 8.478 1.00 0.00 N ATOM 630 CA VAL A 40 0.515 7.426 7.074 1.00 0.00 C ATOM 631 C VAL A 40 0.747 8.859 6.623 1.00 0.00 C ATOM 632 O VAL A 40 -0.195 9.598 6.337 1.00 0.00 O ATOM 633 CB VAL A 40 -0.588 6.743 6.260 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.405 6.953 4.764 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.550 5.237 6.464 1.00 0.00 C ATOM 0 H VAL A 40 -0.601 8.102 8.695 1.00 0.00 H new ATOM 0 HA VAL A 40 1.432 6.857 6.919 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.524 7.183 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.209 6.452 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.428 8.020 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.554 6.538 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.341 4.770 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.417 4.850 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.698 5.009 7.520 1.00 0.00 H new ATOM 645 N GLY A 41 2.022 9.244 6.571 1.00 0.00 N ATOM 646 CA GLY A 41 2.426 10.571 6.121 1.00 0.00 C ATOM 647 C GLY A 41 2.017 10.842 4.674 1.00 0.00 C ATOM 648 O GLY A 41 1.809 11.998 4.310 1.00 0.00 O ATOM 0 H GLY A 41 2.801 8.644 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.979 11.324 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.507 10.671 6.215 1.00 0.00 H new ATOM 652 N ASP A 42 1.903 9.790 3.859 1.00 0.00 N ATOM 653 CA ASP A 42 1.547 9.896 2.456 1.00 0.00 C ATOM 654 C ASP A 42 0.917 8.586 1.997 1.00 0.00 C ATOM 655 O ASP A 42 1.344 7.512 2.409 1.00 0.00 O ATOM 656 CB ASP A 42 2.817 10.133 1.638 1.00 0.00 C ATOM 657 CG ASP A 42 3.308 11.574 1.714 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.539 12.471 1.303 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.453 11.764 2.184 1.00 0.00 O ATOM 0 H ASP A 42 2.059 8.830 4.167 1.00 0.00 H new ATOM 0 HA ASP A 42 0.846 10.719 2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.603 9.467 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.627 9.873 0.597 1.00 0.00 H new ATOM 664 N VAL A 43 -0.099 8.665 1.135 1.00 0.00 N ATOM 665 CA VAL A 43 -0.722 7.475 0.570 1.00 0.00 C ATOM 666 C VAL A 43 -1.255 7.848 -0.810 1.00 0.00 C ATOM 667 O VAL A 43 -2.166 8.668 -0.937 1.00 0.00 O ATOM 668 CB VAL A 43 -1.791 6.934 1.538 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.228 7.363 1.239 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.735 5.415 1.643 1.00 0.00 C ATOM 0 H VAL A 43 -0.506 9.544 0.815 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.013 6.657 0.441 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.528 7.394 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.899 6.928 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.299 8.450 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.511 7.018 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.503 5.070 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.907 4.976 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.754 5.112 2.009 1.00 0.00 H new ATOM 680 N TYR A 44 -0.692 7.248 -1.857 1.00 0.00 N ATOM 681 CA TYR A 44 -1.175 7.494 -3.205 1.00 0.00 C ATOM 682 C TYR A 44 -0.844 6.324 -4.122 1.00 0.00 C ATOM 683 O TYR A 44 -0.062 5.449 -3.761 1.00 0.00 O ATOM 684 CB TYR A 44 -0.582 8.795 -3.750 1.00 0.00 C ATOM 685 CG TYR A 44 0.772 8.654 -4.404 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.949 8.770 -3.651 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.840 8.414 -5.784 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.199 8.675 -4.286 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.083 8.301 -6.420 1.00 0.00 C ATOM 690 CZ TYR A 44 3.269 8.441 -5.672 1.00 0.00 C ATOM 691 OH TYR A 44 4.481 8.350 -6.286 1.00 0.00 O ATOM 0 H TYR A 44 0.090 6.596 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.260 7.595 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.277 9.218 -4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.501 9.511 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.895 8.932 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.069 8.316 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.106 8.782 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.132 8.107 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 44 4.931 7.527 -6.002 1.00 0.00 H new ATOM 701 N ILE A 45 -1.447 6.319 -5.315 1.00 0.00 N ATOM 702 CA ILE A 45 -1.243 5.272 -6.299 1.00 0.00 C ATOM 703 C ILE A 45 -0.770 5.925 -7.601 1.00 0.00 C ATOM 704 O ILE A 45 -1.520 6.680 -8.214 1.00 0.00 O ATOM 705 CB ILE A 45 -2.543 4.468 -6.509 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.862 3.474 -5.384 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.402 3.619 -7.769 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.082 4.126 -4.029 1.00 0.00 C ATOM 0 H ILE A 45 -2.092 7.049 -5.619 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.486 4.568 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.337 5.214 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.755 2.910 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.044 2.758 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.316 3.047 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.228 4.268 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.561 2.935 -7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.302 3.358 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.182 4.667 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.919 4.821 -4.091 1.00 0.00 H new ATOM 720 N PRO A 46 0.465 5.640 -8.034 1.00 0.00 N ATOM 721 CA PRO A 46 1.057 6.091 -9.292 1.00 0.00 C ATOM 722 C PRO A 46 0.436 5.393 -10.513 1.00 0.00 C ATOM 723 O PRO A 46 1.149 4.907 -11.391 1.00 0.00 O ATOM 724 CB PRO A 46 2.552 5.804 -9.164 1.00 0.00 C ATOM 725 CG PRO A 46 2.586 4.607 -8.228 1.00 0.00 C ATOM 726 CD PRO A 46 1.420 4.843 -7.286 1.00 0.00 C ATOM 0 HA PRO A 46 0.868 7.151 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.004 5.576 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.094 6.655 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.474 3.670 -8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.531 4.550 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.977 3.899 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.744 5.364 -6.385 1.00 0.00 H new ATOM 900 N GLY A 56 -0.521 -1.223 -11.123 1.00 0.00 N ATOM 901 CA GLY A 56 -0.554 -2.425 -10.306 1.00 0.00 C ATOM 902 C GLY A 56 0.211 -2.275 -8.991 1.00 0.00 C ATOM 903 O GLY A 56 0.532 -3.281 -8.362 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.591 -2.682 -10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.132 -3.255 -10.873 1.00 0.00 H new ATOM 907 N PHE A 57 0.510 -1.041 -8.564 1.00 0.00 N ATOM 908 CA PHE A 57 1.251 -0.798 -7.340 1.00 0.00 C ATOM 909 C PHE A 57 0.876 0.554 -6.753 1.00 0.00 C ATOM 910 O PHE A 57 0.471 1.463 -7.474 1.00 0.00 O ATOM 911 CB PHE A 57 2.746 -0.858 -7.621 1.00 0.00 C ATOM 912 CG PHE A 57 3.367 0.354 -8.280 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.157 0.635 -9.639 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.179 1.197 -7.512 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.770 1.752 -10.225 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.793 2.316 -8.097 1.00 0.00 C ATOM 917 CZ PHE A 57 4.584 2.597 -9.454 1.00 0.00 C ATOM 0 H PHE A 57 0.242 -0.192 -9.062 1.00 0.00 H new ATOM 0 HA PHE A 57 0.997 -1.570 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.262 -1.033 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.938 -1.724 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.524 -0.008 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.334 0.986 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.615 1.963 -11.273 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.425 2.959 -7.502 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.048 3.461 -9.906 1.00 0.00 H new ATOM 927 N ALA A 58 1.014 0.672 -5.429 1.00 0.00 N ATOM 928 CA ALA A 58 0.705 1.890 -4.709 1.00 0.00 C ATOM 929 C ALA A 58 2.004 2.578 -4.323 1.00 0.00 C ATOM 930 O ALA A 58 3.065 2.281 -4.863 1.00 0.00 O ATOM 931 CB ALA A 58 -0.129 1.563 -3.468 1.00 0.00 C ATOM 0 H ALA A 58 1.346 -0.085 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 58 0.122 2.560 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.358 2.483 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.057 1.079 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.434 0.894 -2.817 1.00 0.00 H new ATOM 937 N PHE A 59 1.903 3.502 -3.378 1.00 0.00 N ATOM 938 CA PHE A 59 3.036 4.214 -2.835 1.00 0.00 C ATOM 939 C PHE A 59 2.598 4.806 -1.524 1.00 0.00 C ATOM 940 O PHE A 59 2.477 6.021 -1.377 1.00 0.00 O ATOM 941 CB PHE A 59 3.487 5.266 -3.852 1.00 0.00 C ATOM 942 CG PHE A 59 4.973 5.541 -3.894 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.727 5.699 -2.718 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.602 5.624 -5.144 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.103 5.963 -2.803 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.976 5.873 -5.226 1.00 0.00 C ATOM 947 CZ PHE A 59 7.729 6.049 -4.054 1.00 0.00 C ATOM 0 H PHE A 59 1.012 3.778 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 59 3.894 3.568 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.167 4.947 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.969 6.200 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.249 5.618 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.024 5.495 -6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.681 6.100 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.458 5.930 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.788 6.250 -4.116 1.00 0.00 H new ATOM 957 N VAL A 60 2.350 3.933 -0.543 1.00 0.00 N ATOM 958 CA VAL A 60 2.162 4.522 0.770 1.00 0.00 C ATOM 959 C VAL A 60 3.545 4.925 1.246 1.00 0.00 C ATOM 960 O VAL A 60 4.494 4.187 1.005 1.00 0.00 O ATOM 961 CB VAL A 60 1.453 3.645 1.806 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.350 2.752 1.230 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.392 2.929 2.780 1.00 0.00 C ATOM 0 H VAL A 60 2.281 2.918 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 60 1.478 5.365 0.669 1.00 0.00 H new ATOM 0 HB VAL A 60 0.919 4.362 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.099 2.165 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.414 3.373 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.777 2.081 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.806 2.331 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.067 2.279 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.973 3.666 3.334 1.00 0.00 H new ATOM 973 N ARG A 61 3.660 6.074 1.910 1.00 0.00 N ATOM 974 CA ARG A 61 4.934 6.529 2.432 1.00 0.00 C ATOM 975 C ARG A 61 4.788 7.009 3.849 1.00 0.00 C ATOM 976 O ARG A 61 3.875 7.749 4.202 1.00 0.00 O ATOM 977 CB ARG A 61 5.592 7.551 1.498 1.00 0.00 C ATOM 978 CG ARG A 61 6.517 8.493 2.278 1.00 0.00 C ATOM 979 CD ARG A 61 7.279 9.422 1.337 1.00 0.00 C ATOM 980 NE ARG A 61 8.371 10.096 2.047 1.00 0.00 N ATOM 981 CZ ARG A 61 8.278 11.262 2.696 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.138 11.944 2.750 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.353 11.754 3.307 1.00 0.00 N ATOM 0 H ARG A 61 2.880 6.704 2.096 1.00 0.00 H new ATOM 0 HA ARG A 61 5.621 5.684 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.162 7.031 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.823 8.131 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.930 9.084 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.224 7.908 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.681 8.851 0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.598 10.163 0.919 1.00 0.00 H new ATOM 0 HE ARG A 61 9.281 9.635 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.304 11.581 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.097 12.831 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.235 11.243 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.295 12.642 3.805 1.00 0.00 H new ATOM 997 N PHE A 62 5.742 6.547 4.651 1.00 0.00 N ATOM 998 CA PHE A 62 5.726 6.844 6.076 1.00 0.00 C ATOM 999 C PHE A 62 6.807 7.853 6.396 1.00 0.00 C ATOM 1000 O PHE A 62 7.932 7.732 5.913 1.00 0.00 O ATOM 1001 CB PHE A 62 5.928 5.572 6.879 1.00 0.00 C ATOM 1002 CG PHE A 62 4.667 4.762 7.058 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.747 4.597 6.009 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.411 4.187 8.309 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.564 3.877 6.204 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.243 3.447 8.505 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.325 3.296 7.459 1.00 0.00 C ATOM 0 H PHE A 62 6.526 5.973 4.342 1.00 0.00 H new ATOM 0 HA PHE A 62 4.758 7.267 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.678 4.955 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.325 5.831 7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.956 5.031 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.114 4.315 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.847 3.770 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.048 2.991 9.464 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.422 2.726 7.620 1.00 0.00 H new ATOM 1017 N HIS A 63 6.420 8.838 7.212 1.00 0.00 N ATOM 1018 CA HIS A 63 7.258 9.930 7.684 1.00 0.00 C ATOM 1019 C HIS A 63 8.136 9.498 8.859 1.00 0.00 C ATOM 1020 O HIS A 63 8.994 10.262 9.304 1.00 0.00 O ATOM 1021 CB HIS A 63 6.324 11.064 8.127 1.00 0.00 C ATOM 1022 CG HIS A 63 5.267 10.585 9.100 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.460 9.601 10.069 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.977 11.022 9.163 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.282 9.461 10.684 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.375 10.309 10.171 1.00 0.00 N ATOM 0 H HIS A 63 5.468 8.893 7.575 1.00 0.00 H new ATOM 0 HA HIS A 63 7.925 10.251 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.911 11.856 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.840 11.497 7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.519 11.779 8.543 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.086 8.762 11.484 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.407 10.407 10.477 1.00 0.00 H new ATOM 1034 N ASP A 64 7.928 8.279 9.366 1.00 0.00 N ATOM 1035 CA ASP A 64 8.626 7.769 10.528 1.00 0.00 C ATOM 1036 C ASP A 64 8.845 6.270 10.363 1.00 0.00 C ATOM 1037 O ASP A 64 7.892 5.488 10.326 1.00 0.00 O ATOM 1038 CB ASP A 64 7.808 8.077 11.787 1.00 0.00 C ATOM 1039 CG ASP A 64 8.569 7.742 13.067 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.458 6.863 13.015 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.257 8.379 14.100 1.00 0.00 O ATOM 0 H ASP A 64 7.260 7.618 8.969 1.00 0.00 H new ATOM 0 HA ASP A 64 9.599 8.250 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.538 9.133 11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.877 7.510 11.761 1.00 0.00 H new ATOM 1046 N LYS A 65 10.117 5.875 10.259 1.00 0.00 N ATOM 1047 CA LYS A 65 10.519 4.489 10.065 1.00 0.00 C ATOM 1048 C LYS A 65 10.011 3.566 11.166 1.00 0.00 C ATOM 1049 O LYS A 65 9.874 2.368 10.934 1.00 0.00 O ATOM 1050 CB LYS A 65 12.041 4.419 9.970 1.00 0.00 C ATOM 1051 CG LYS A 65 12.690 4.683 11.333 1.00 0.00 C ATOM 1052 CD LYS A 65 14.138 5.145 11.168 1.00 0.00 C ATOM 1053 CE LYS A 65 14.975 4.125 10.396 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.327 4.658 10.150 1.00 0.00 N ATOM 0 H LYS A 65 10.904 6.522 10.309 1.00 0.00 H new ATOM 0 HA LYS A 65 10.066 4.138 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.341 3.437 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.398 5.151 9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.121 5.442 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.660 3.776 11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.157 6.101 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.581 5.310 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.040 3.195 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.491 3.889 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.887 3.956 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.259 5.534 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.791 4.861 11.058 1.00 0.00 H new ATOM 1068 N ARG A 66 9.729 4.089 12.362 1.00 0.00 N ATOM 1069 CA ARG A 66 9.297 3.251 13.473 1.00 0.00 C ATOM 1070 C ARG A 66 7.869 2.768 13.238 1.00 0.00 C ATOM 1071 O ARG A 66 7.573 1.583 13.412 1.00 0.00 O ATOM 1072 CB ARG A 66 9.388 4.047 14.773 1.00 0.00 C ATOM 1073 CG ARG A 66 10.815 4.554 15.045 1.00 0.00 C ATOM 1074 CD ARG A 66 11.832 3.419 15.045 1.00 0.00 C ATOM 1075 NE ARG A 66 13.169 3.915 15.375 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.305 3.281 15.067 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.296 2.130 14.401 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.469 3.804 15.431 1.00 0.00 N ATOM 0 H ARG A 66 9.793 5.083 12.581 1.00 0.00 H new ATOM 0 HA ARG A 66 9.946 2.378 13.546 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.705 4.896 14.726 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.062 3.421 15.604 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.090 5.288 14.287 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.841 5.065 16.008 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.534 2.658 15.766 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.849 2.941 14.066 1.00 0.00 H new ATOM 0 HE ARG A 66 13.239 4.803 15.873 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.410 1.714 14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.175 1.664 14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.494 4.686 15.943 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.339 3.324 15.199 1.00 0.00 H new ATOM 1092 N ASP A 67 6.982 3.683 12.839 1.00 0.00 N ATOM 1093 CA ASP A 67 5.614 3.318 12.509 1.00 0.00 C ATOM 1094 C ASP A 67 5.619 2.453 11.253 1.00 0.00 C ATOM 1095 O ASP A 67 4.720 1.643 11.050 1.00 0.00 O ATOM 1096 CB ASP A 67 4.784 4.583 12.268 1.00 0.00 C ATOM 1097 CG ASP A 67 4.676 5.456 13.515 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.522 4.881 14.616 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.750 6.694 13.359 1.00 0.00 O ATOM 0 H ASP A 67 7.191 4.676 12.739 1.00 0.00 H new ATOM 0 HA ASP A 67 5.173 2.760 13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.234 5.161 11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.784 4.301 11.938 1.00 0.00 H new ATOM 1104 N ALA A 68 6.641 2.627 10.410 1.00 0.00 N ATOM 1105 CA ALA A 68 6.767 1.864 9.188 1.00 0.00 C ATOM 1106 C ALA A 68 7.303 0.461 9.458 1.00 0.00 C ATOM 1107 O ALA A 68 6.931 -0.472 8.757 1.00 0.00 O ATOM 1108 CB ALA A 68 7.722 2.610 8.263 1.00 0.00 C ATOM 0 H ALA A 68 7.394 3.298 10.563 1.00 0.00 H new ATOM 0 HA ALA A 68 5.784 1.756 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.835 2.055 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.321 3.601 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.694 2.709 8.747 1.00 0.00 H new ATOM 1114 N GLU A 69 8.164 0.306 10.469 1.00 0.00 N ATOM 1115 CA GLU A 69 8.722 -0.983 10.832 1.00 0.00 C ATOM 1116 C GLU A 69 7.614 -1.949 11.216 1.00 0.00 C ATOM 1117 O GLU A 69 7.560 -3.061 10.696 1.00 0.00 O ATOM 1118 CB GLU A 69 9.663 -0.826 12.029 1.00 0.00 C ATOM 1119 CG GLU A 69 11.094 -0.545 11.567 1.00 0.00 C ATOM 1120 CD GLU A 69 12.035 -0.454 12.760 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.555 -1.516 13.169 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.228 0.678 13.262 1.00 0.00 O ATOM 0 H GLU A 69 8.488 1.076 11.054 1.00 0.00 H new ATOM 0 HA GLU A 69 9.269 -1.372 9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.316 -0.012 12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.643 -1.733 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.426 -1.336 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.123 0.387 11.002 1.00 0.00 H new ATOM 1129 N ASP A 70 6.731 -1.534 12.125 1.00 0.00 N ATOM 1130 CA ASP A 70 5.711 -2.453 12.591 1.00 0.00 C ATOM 1131 C ASP A 70 4.700 -2.736 11.482 1.00 0.00 C ATOM 1132 O ASP A 70 4.307 -3.882 11.277 1.00 0.00 O ATOM 1133 CB ASP A 70 5.013 -1.881 13.822 1.00 0.00 C ATOM 1134 CG ASP A 70 5.998 -1.583 14.952 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.808 -2.481 15.275 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.931 -0.452 15.487 1.00 0.00 O ATOM 0 H ASP A 70 6.705 -0.601 12.537 1.00 0.00 H new ATOM 0 HA ASP A 70 6.186 -3.394 12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.488 -0.966 13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.261 -2.587 14.173 1.00 0.00 H new ATOM 1141 N ALA A 71 4.274 -1.695 10.755 1.00 0.00 N ATOM 1142 CA ALA A 71 3.312 -1.865 9.686 1.00 0.00 C ATOM 1143 C ALA A 71 3.866 -2.813 8.625 1.00 0.00 C ATOM 1144 O ALA A 71 3.168 -3.722 8.189 1.00 0.00 O ATOM 1145 CB ALA A 71 2.983 -0.507 9.074 1.00 0.00 C ATOM 0 H ALA A 71 4.586 -0.734 10.895 1.00 0.00 H new ATOM 0 HA ALA A 71 2.398 -2.301 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.259 -0.636 8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.562 0.145 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.892 -0.058 8.675 1.00 0.00 H new ATOM 1151 N MET A 72 5.116 -2.608 8.206 1.00 0.00 N ATOM 1152 CA MET A 72 5.749 -3.436 7.192 1.00 0.00 C ATOM 1153 C MET A 72 5.904 -4.872 7.683 1.00 0.00 C ATOM 1154 O MET A 72 5.652 -5.808 6.927 1.00 0.00 O ATOM 1155 CB MET A 72 7.114 -2.819 6.879 1.00 0.00 C ATOM 1156 CG MET A 72 8.002 -3.743 6.044 1.00 0.00 C ATOM 1157 SD MET A 72 9.414 -2.897 5.277 1.00 0.00 S ATOM 1158 CE MET A 72 9.958 -1.866 6.662 1.00 0.00 C ATOM 0 H MET A 72 5.713 -1.862 8.563 1.00 0.00 H new ATOM 0 HA MET A 72 5.133 -3.471 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.970 -1.880 6.345 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.623 -2.579 7.813 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.373 -4.548 6.679 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.398 -4.205 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.973 -1.514 6.477 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.290 -1.011 6.763 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.939 -2.452 7.581 1.00 0.00 H new ATOM 1168 N ASP A 73 6.313 -5.049 8.940 1.00 0.00 N ATOM 1169 CA ASP A 73 6.457 -6.375 9.520 1.00 0.00 C ATOM 1170 C ASP A 73 5.094 -7.017 9.789 1.00 0.00 C ATOM 1171 O ASP A 73 5.025 -8.152 10.252 1.00 0.00 O ATOM 1172 CB ASP A 73 7.283 -6.295 10.810 1.00 0.00 C ATOM 1173 CG ASP A 73 8.752 -5.970 10.545 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.148 -5.939 9.356 1.00 0.00 O ATOM 1175 OD2 ASP A 73 9.482 -5.755 11.534 1.00 0.00 O ATOM 0 H ASP A 73 6.550 -4.285 9.573 1.00 0.00 H new ATOM 0 HA ASP A 73 6.981 -7.007 8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.858 -5.533 11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.214 -7.244 11.341 1.00 0.00 H new ATOM 1180 N ALA A 74 4.009 -6.296 9.497 1.00 0.00 N ATOM 1181 CA ALA A 74 2.655 -6.789 9.671 1.00 0.00 C ATOM 1182 C ALA A 74 1.816 -6.610 8.402 1.00 0.00 C ATOM 1183 O ALA A 74 0.609 -6.861 8.428 1.00 0.00 O ATOM 1184 CB ALA A 74 2.029 -6.050 10.854 1.00 0.00 C ATOM 0 H ALA A 74 4.054 -5.345 9.130 1.00 0.00 H new ATOM 0 HA ALA A 74 2.683 -7.860 9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.009 -6.404 11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.616 -6.239 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.015 -4.980 10.648 1.00 0.00 H new ATOM 1190 N MET A 75 2.427 -6.183 7.289 1.00 0.00 N ATOM 1191 CA MET A 75 1.707 -5.962 6.040 1.00 0.00 C ATOM 1192 C MET A 75 2.439 -6.506 4.817 1.00 0.00 C ATOM 1193 O MET A 75 1.816 -6.686 3.775 1.00 0.00 O ATOM 1194 CB MET A 75 1.455 -4.467 5.837 1.00 0.00 C ATOM 1195 CG MET A 75 0.310 -3.962 6.713 1.00 0.00 C ATOM 1196 SD MET A 75 -1.287 -4.756 6.379 1.00 0.00 S ATOM 1197 CE MET A 75 -1.322 -4.577 4.576 1.00 0.00 C ATOM 0 H MET A 75 3.426 -5.984 7.234 1.00 0.00 H new ATOM 0 HA MET A 75 0.767 -6.507 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.363 -3.910 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.223 -4.276 4.789 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.570 -4.121 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.205 -2.886 6.570 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.315 -4.831 4.204 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.086 -3.547 4.308 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.586 -5.246 4.130 1.00 0.00 H new ATOM 1207 N ASP A 76 3.745 -6.779 4.906 1.00 0.00 N ATOM 1208 CA ASP A 76 4.451 -7.364 3.780 1.00 0.00 C ATOM 1209 C ASP A 76 3.933 -8.778 3.519 1.00 0.00 C ATOM 1210 O ASP A 76 4.030 -9.648 4.380 1.00 0.00 O ATOM 1211 CB ASP A 76 5.957 -7.373 4.040 1.00 0.00 C ATOM 1212 CG ASP A 76 6.714 -7.837 2.798 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.404 -7.306 1.708 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.593 -8.719 2.948 1.00 0.00 O ATOM 0 H ASP A 76 4.318 -6.606 5.732 1.00 0.00 H new ATOM 0 HA ASP A 76 4.267 -6.759 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.289 -6.374 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.183 -8.033 4.878 1.00 0.00 H new ATOM 1219 N GLY A 77 3.383 -9.004 2.326 1.00 0.00 N ATOM 1220 CA GLY A 77 2.836 -10.289 1.923 1.00 0.00 C ATOM 1221 C GLY A 77 1.575 -10.635 2.716 1.00 0.00 C ATOM 1222 O GLY A 77 1.269 -11.811 2.917 1.00 0.00 O ATOM 0 H GLY A 77 3.306 -8.286 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.603 -10.269 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.585 -11.067 2.071 1.00 0.00 H new ATOM 1226 N ALA A 78 0.845 -9.609 3.167 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.340 -9.777 3.997 1.00 0.00 C ATOM 1228 C ALA A 78 -1.600 -10.004 3.164 1.00 0.00 C ATOM 1229 O ALA A 78 -2.697 -10.073 3.721 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.495 -8.549 4.893 1.00 0.00 C ATOM 0 H ALA A 78 1.066 -8.635 2.962 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.209 -10.669 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.380 -8.665 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.386 -8.447 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.602 -7.658 4.274 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.440 -10.117 1.838 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.503 -10.363 0.869 1.00 0.00 C ATOM 1238 C VAL A 79 -3.831 -9.722 1.276 1.00 0.00 C ATOM 1239 O VAL A 79 -4.778 -10.381 1.694 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.579 -11.860 0.535 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.662 -12.747 1.773 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.697 -12.146 -0.452 1.00 0.00 C ATOM 0 H VAL A 79 -0.523 -10.035 1.398 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.255 -9.856 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.637 -12.121 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.713 -13.792 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.778 -12.592 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.554 -12.491 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.726 -13.214 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.650 -11.837 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.519 -11.593 -1.374 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.869 -8.393 1.143 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.031 -7.566 1.409 1.00 0.00 C ATOM 1254 C LEU A 80 -6.210 -7.898 0.484 1.00 0.00 C ATOM 1255 O LEU A 80 -7.340 -7.519 0.784 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.542 -6.118 1.291 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.616 -5.042 1.130 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.019 -3.704 1.555 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.021 -4.899 -0.336 1.00 0.00 C ATOM 0 H LEU A 80 -3.060 -7.853 0.836 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.437 -7.749 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.956 -5.883 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.867 -6.055 0.438 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.481 -5.321 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.769 -2.920 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.701 -3.762 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.160 -3.472 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.786 -4.128 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.150 -4.619 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.416 -5.848 -0.699 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.968 -8.598 -0.636 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.038 -8.934 -1.571 1.00 0.00 C ATOM 1273 C ASP A 81 -6.903 -10.359 -2.115 1.00 0.00 C ATOM 1274 O ASP A 81 -7.892 -11.092 -2.150 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.035 -7.925 -2.724 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.112 -8.273 -3.739 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.289 -7.947 -3.470 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.751 -8.866 -4.781 1.00 0.00 O ATOM 0 H ASP A 81 -5.046 -8.937 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.985 -8.886 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.203 -6.920 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.059 -7.920 -3.208 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.698 -10.758 -2.531 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.464 -12.119 -3.008 1.00 0.00 C ATOM 1285 C GLY A 82 -4.309 -12.209 -4.002 1.00 0.00 C ATOM 1286 O GLY A 82 -4.308 -13.080 -4.867 1.00 0.00 O ATOM 0 H GLY A 82 -4.873 -10.158 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.255 -12.766 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.372 -12.495 -3.479 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.332 -11.307 -3.880 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.172 -11.259 -4.762 1.00 0.00 C ATOM 1292 C ARG A 83 -0.869 -11.066 -3.985 1.00 0.00 C ATOM 1293 O ARG A 83 0.198 -11.347 -4.523 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.372 -10.134 -5.771 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.794 -8.854 -5.054 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.579 -7.679 -5.992 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.218 -7.928 -7.295 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.567 -8.056 -8.457 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.242 -7.938 -8.529 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.254 -8.309 -9.567 1.00 0.00 N ATOM 0 H ARG A 83 -3.327 -10.585 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.086 -12.214 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.448 -9.963 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.131 -10.419 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.841 -8.914 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.211 -8.722 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.990 -6.773 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.511 -7.510 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.235 -8.009 -7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.701 -7.746 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.769 -8.040 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.269 -8.404 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.766 -8.408 -10.457 1.00 0.00 H new ATOM 1314 N GLU A 84 -0.975 -10.589 -2.743 1.00 0.00 N ATOM 1315 CA GLU A 84 0.069 -10.562 -1.721 1.00 0.00 C ATOM 1316 C GLU A 84 0.740 -9.191 -1.675 1.00 0.00 C ATOM 1317 O GLU A 84 1.708 -8.936 -2.384 1.00 0.00 O ATOM 1318 CB GLU A 84 1.067 -11.721 -1.858 1.00 0.00 C ATOM 1319 CG GLU A 84 1.157 -12.467 -0.525 1.00 0.00 C ATOM 1320 CD GLU A 84 2.343 -13.434 -0.520 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.489 -12.945 -0.408 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.093 -14.654 -0.625 1.00 0.00 O ATOM 0 H GLU A 84 -1.849 -10.186 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.409 -10.721 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.747 -12.401 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.048 -11.340 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.262 -11.751 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.233 -13.017 -0.349 1.00 0.00 H new ATOM 1329 N LEU A 85 0.201 -8.313 -0.823 1.00 0.00 N ATOM 1330 CA LEU A 85 0.672 -6.952 -0.603 1.00 0.00 C ATOM 1331 C LEU A 85 2.197 -6.925 -0.451 1.00 0.00 C ATOM 1332 O LEU A 85 2.799 -7.926 -0.064 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.045 -6.441 0.657 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.406 -4.953 0.713 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.809 -4.039 0.762 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.274 -4.541 -0.477 1.00 0.00 C ATOM 0 H LEU A 85 -0.608 -8.546 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 85 0.445 -6.307 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.964 -7.015 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.585 -6.666 1.517 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.961 -4.833 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.481 -3.000 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.400 -4.266 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.418 -4.195 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.511 -3.480 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.733 -4.730 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.198 -5.120 -0.471 1.00 0.00 H new ATOM 1348 N ARG A 86 2.832 -5.793 -0.752 1.00 0.00 N ATOM 1349 CA ARG A 86 4.281 -5.659 -0.671 1.00 0.00 C ATOM 1350 C ARG A 86 4.631 -4.394 0.094 1.00 0.00 C ATOM 1351 O ARG A 86 4.050 -3.340 -0.151 1.00 0.00 O ATOM 1352 CB ARG A 86 4.864 -5.585 -2.081 1.00 0.00 C ATOM 1353 CG ARG A 86 4.673 -6.874 -2.875 1.00 0.00 C ATOM 1354 CD ARG A 86 5.409 -8.032 -2.203 1.00 0.00 C ATOM 1355 NE ARG A 86 5.237 -9.274 -2.965 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.836 -10.434 -2.439 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.538 -10.528 -1.144 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.723 -11.514 -3.204 1.00 0.00 N ATOM 0 H ARG A 86 2.355 -4.945 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 86 4.699 -6.522 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.395 -4.761 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.928 -5.359 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.611 -7.106 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.044 -6.740 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.470 -7.795 -2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.033 -8.168 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 86 5.437 -9.250 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.615 -9.708 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.233 -11.420 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.943 -11.460 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.416 -12.398 -2.797 1.00 0.00 H new ATOM 1372 N VAL A 87 5.581 -4.495 1.024 1.00 0.00 N ATOM 1373 CA VAL A 87 5.992 -3.358 1.831 1.00 0.00 C ATOM 1374 C VAL A 87 7.503 -3.348 1.990 1.00 0.00 C ATOM 1375 O VAL A 87 8.115 -4.388 2.227 1.00 0.00 O ATOM 1376 CB VAL A 87 5.304 -3.417 3.192 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.527 -2.092 3.911 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.813 -3.727 3.078 1.00 0.00 C ATOM 0 H VAL A 87 6.080 -5.360 1.234 1.00 0.00 H new ATOM 0 HA VAL A 87 5.696 -2.436 1.331 1.00 0.00 H new ATOM 0 HB VAL A 87 5.743 -4.234 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.040 -2.121 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.596 -1.926 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.105 -1.281 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.371 -3.758 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.324 -2.952 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.678 -4.693 2.591 1.00 0.00 H new ATOM 1388 N GLN A 88 8.094 -2.157 1.864 1.00 0.00 N ATOM 1389 CA GLN A 88 9.532 -1.962 1.928 1.00 0.00 C ATOM 1390 C GLN A 88 9.854 -0.475 2.032 1.00 0.00 C ATOM 1391 O GLN A 88 9.095 0.366 1.559 1.00 0.00 O ATOM 1392 CB GLN A 88 10.176 -2.546 0.667 1.00 0.00 C ATOM 1393 CG GLN A 88 9.464 -2.082 -0.605 1.00 0.00 C ATOM 1394 CD GLN A 88 10.175 -2.562 -1.868 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.378 -2.800 -1.868 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.431 -2.711 -2.963 1.00 0.00 N ATOM 0 H GLN A 88 7.573 -1.293 1.713 1.00 0.00 H new ATOM 0 HA GLN A 88 9.927 -2.468 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.224 -2.250 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.154 -3.635 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.439 -2.454 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.408 -0.993 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.432 -2.505 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.860 -3.031 -3.831 1.00 0.00 H new ATOM 1405 N MET A 89 10.987 -0.143 2.652 1.00 0.00 N ATOM 1406 CA MET A 89 11.492 1.215 2.723 1.00 0.00 C ATOM 1407 C MET A 89 11.568 1.821 1.326 1.00 0.00 C ATOM 1408 O MET A 89 11.999 1.165 0.377 1.00 0.00 O ATOM 1409 CB MET A 89 12.860 1.193 3.399 1.00 0.00 C ATOM 1410 CG MET A 89 12.650 0.877 4.878 1.00 0.00 C ATOM 1411 SD MET A 89 12.071 2.305 5.838 1.00 0.00 S ATOM 1412 CE MET A 89 11.385 1.440 7.264 1.00 0.00 C ATOM 0 H MET A 89 11.583 -0.824 3.123 1.00 0.00 H new ATOM 0 HA MET A 89 10.818 1.838 3.311 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.502 0.443 2.936 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.359 2.155 3.282 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.926 0.067 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.587 0.517 5.303 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.422 2.092 8.137 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.350 1.165 7.060 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.968 0.540 7.458 1.00 0.00 H new ATOM 1422 N ALA A 90 11.140 3.079 1.202 1.00 0.00 N ATOM 1423 CA ALA A 90 11.059 3.758 -0.079 1.00 0.00 C ATOM 1424 C ALA A 90 12.424 4.211 -0.586 1.00 0.00 C ATOM 1425 O ALA A 90 12.539 4.530 -1.769 1.00 0.00 O ATOM 1426 CB ALA A 90 10.136 4.969 0.064 1.00 0.00 C ATOM 0 H ALA A 90 10.841 3.651 1.992 1.00 0.00 H new ATOM 0 HA ALA A 90 10.664 3.052 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.066 5.488 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.144 4.636 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.539 5.647 0.817 1.00 0.00 H new